| 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 | 36 | Very low | 75.6 | Confident | 194 Ų | 194 | 106.8 Ų | 106.8 | 96% | 0.956 | 53% | 0.527 | S | S | * | . | 0 | 125.5 | 0 | -89.4 | 164.6 | 148.1 | 0 | 0 | 106 | I3 | M1-I3 PolarHBondContact O-N 2.97Å; M1-I3 VanDerWaalsContact O-N 3.12Å | |||
| 2 | K | 45.4 | Very low | 77.3 | Confident | 212 Ų | 212 | 105.3 Ų | 105.3 | 92% | 0.922 | 53% | 0.53 | S | S | * | . | trans | -73 | 103.2 | 164.6 | -78.3 | -170 | 175.8 | -168.5 | 0 | 106.2 | K4 | K2-K4 PolarHBondContact O-N 3.19Š| ||
| 3 | I | 52.6 | Low | 78.7 | Confident | 59 Ų | 59 | 100.8 Ų | 100.8 | 30% | 0.303 | 51% | 0.512 | S | S | . | . | trans | -65.9 | 121.3 | 172.1 | -65.4 | 171.7 | 0 | 0 | 0 | 105.2 | M1 G5 I6 I127 M130 | M1-I3 PolarHBondContact O-N 2.97Å; M1-I3 VanDerWaalsContact O-N 3.12Å; I3-G5 PolarHBondContact O-N 2.96Å; I3-I6 HydrophobicContact CB-CD1 3.96Å; I3-I6 HydrophobicContact CG2-CD1 3.6Å; I3-I6 HydrophobicContact CG2-CG1 4.24Å; I3-I6 PolarHBondContact O-N 3.34Å; I3-I127 HydrophobicContact CB-CD1 4.4Å; I3-I127 HydrophobicContact CD1-CD1 3.14Å; I3-I127 HydrophobicContact CG1-CD1 4.29Å; I3-I127 HydrophobicContact CG2-CD1 4.1Å; I3-M130 HydrophobicContact CD1-CE 4.13Å; I3-M130 HydrophobicContact CD1-SD 4.38Å | ||
| 4 | K | 63.3 | Low | 80 | Confident | 207 Ų | 207 | 94.1 Ų | 94.1 | 90% | 0.9 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 133.4 | -174.3 | -74.8 | -175.6 | 176.6 | -178.3 | 0 | 108.9 | K2 | K2-K4 PolarHBondContact O-N 3.19Š|
| 5 | G | 79.5 | Confident | 81.1 | Confident | 50 Ų | 50 | 88.9 Ų | 88.9 | 52% | 0.515 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | 6.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I3 | I3-G5 PolarHBondContact O-N 2.96Š|
| 6 | I | 86.4 | Confident | 82.1 | Confident | 31 Ų | 31 | 83.3 Ų | 83.3 | 16% | 0.159 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 120.5 | 168.8 | -57.9 | 172.3 | 0 | 0 | 0 | 108.8 | I3 L107 T108 V109 M123 I127 | I3-I6 HydrophobicContact CB-CD1 3.96Å; I3-I6 HydrophobicContact CG2-CD1 3.6Å; I3-I6 HydrophobicContact CG2-CG1 4.24Å; I3-I6 PolarHBondContact O-N 3.34Å; I6-L107 HydrophobicContact CG2-CB 4.33Å; I6-L107 HydrophobicContact CG2-CD2 4.35Å; I6-T108 VanDerWaalsContact CA-O 3.25Å; I6-T108 WeakPolarHBondContact CA-O 3.43Å; I6-V109 HydrophobicContact CG1-CB 4.39Å; I6-V109 HydrophobicContact CG1-CG2 4.49Å; I6-M123 HydrophobicContact CD1-CE 4.41Å; I6-M123 HydrophobicContact CD1-SD 3.49Å; I6-M123 WeakPolarHBondContact CD1-SD 3.3Å; I6-M123 HydrophobicContact CG1-SD 3.89Å; I6-M123 HydrophobicContact CG2-CE 4.01Å; I6-M123 HydrophobicContact CG2-SD 4.36Å; I6-I127 HydrophobicContact CD1-CB 4.28Å; I6-I127 HydrophobicContact CD1-CD1 3.44Å; I6-I127 VanDerWaalsContact CD1-CD1 3.44Å; I6-I127 HydrophobicContact CD1-CG1 3.54Å; I6-I127 HydrophobicContact CD1-CG2 3.83Å |
| 7 | D | 91.7 | Very high | 83 | Confident | 100 Ų | 100 | 78.4 Ų | 78.4 | 54% | 0.535 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 152.4 | 177.9 | -69.6 | -66 | 0 | 0 | 0 | 110.6 | L107 T108 | D7-L107 CarbonylContact O-C 3.55Å; D7-L107 WeakPolarHBondContact O-CA 3.31Å; D7-T108 WeakPolarHBondContact CB-OG1 3.04Å; D7-T108 PolarHBondContact N-O 3.25Å; D7-T108 VanDerWaalsContact N-O 3.08Å; D7-T108 PolarHBondContact O-N 3.01Å |
| 8 | R | 92.7 | Very high | 83.7 | Confident | 153 Ų | 153 | 74.1 Ų | 74.1 | 58% | 0.577 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 124.8 | 171 | 176.5 | 178.7 | 165.7 | 162.6 | 3.7 | 107.8 | D10 Y106 L107 F158 | R8-D10 IonicContact NE-OD2 3.4Å; R8-D10 IonicContact NH2-OD1 2.7Å; R8-Y106 WeakPolarHBondContact CA-O 3.42Å; R8-L107 HydrophobicContact CB-CD2 4.06Å; R8-L107 HydrophobicContact CG-CD2 4.48Å; R8-F158 HydrophobicContact CG-CE1 4.12Å; R8-F158 HydrophobicContact CG-CZ 4.01Å |
| 9 | V | 93.9 | Very high | 84.4 | Confident | 38 Ų | 38 | 71.4 Ų | 71.4 | 23% | 0.23 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 128.6 | -178.3 | -174.9 | 0 | 0 | 0 | 0 | 108.7 | L11 Y106 T108 | V9-L11 HydrophobicContact CG1-CD2 3.64Å; V9-L11 HydrophobicContact CG1-CG 3.95Å; V9-Y106 PolarHBondContact N-O 2.9Å; V9-Y106 PolarHBondContact O-N 2.82Å; V9-T108 HydrophobicContact CB-CG2 4.21Å; V9-T108 HydrophobicContact CG2-CG2 3.72Å |
| 10 | D | 94.7 | Very high | 85 | Confident | 99 Ų | 99 | 71 Ų | 71 | 53% | 0.529 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 110.5 | 169.1 | -63.2 | -64.5 | 0 | 0 | 0 | 107 | R8 S105 | R8-D10 IonicContact NE-OD2 3.4Å; R8-D10 IonicContact NH2-OD1 2.7Å; D10-S105 VanDerWaalsContact OD1-CB 3.24Å; D10-S105 WeakPolarHBondContact OD1-CB 3.25Å; D10-S105 PolarHBondContact OD1-OG 2.96Å |
| 11 | L | 95.2 | Very high | 85.5 | Confident | 32 Ų | 32 | 68.1 Ų | 68.1 | 17% | 0.168 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 137.7 | 177.8 | -67 | -179.8 | 0 | 0 | 0 | 109.9 | V9 W61 P103 M104 Y106 Y155 | V9-L11 HydrophobicContact CG1-CD2 3.64Å; V9-L11 HydrophobicContact CG1-CG 3.95Å; L11-W61 HydrophobicContact CD1-CH2 3.84Å; L11-W61 HydrophobicContact CD1-CZ2 4.23Å; L11-P103 WeakPolarHBondContact O-CA 3.34Å; L11-M104 PolarHBondContact N-O 2.91Å; L11-M104 PolarHBondContact O-N 3.41Å; L11-M104 VanDerWaalsContact O-N 3.17Å; L11-Y106 HydrophobicContact CB-CD2 4.26Å; L11-Y106 HydrophobicContact CB-CE2 4.01Å; L11-Y106 HydrophobicContact CD1-CD2 3.96Å; L11-Y106 HydrophobicContact CD1-CE2 3.87Å; L11-Y106 HydrophobicContact CG-CD2 4.05Å; L11-Y106 HydrophobicContact CG-CE2 4.17Å; L11-Y155 HydrophobicContact CD1-CD1 4.01Å; L11-Y155 HydrophobicContact CD1-CE1 3.84Å; L11-Y155 HydrophobicContact CG-CE1 4.5Å |
| 12 | P | 95.8 | Very high | 88.2 | Confident | 88 Ų | 88 | 65.4 Ų | 65.4 | 57% | 0.571 | 33% | 0.331 | S | S | * | . | trans | -68.5 | -177.5 | 165.8 | 34.4 | -36.3 | 0 | 0 | 0 | 109.8 | I14 | P12-I14 PolarHBondContact O-N 2.97Å; P12-I14 VanDerWaalsContact O-N 3.16Å | ||
| 13 | T | 96.2 | Very high | 90.5 | Very high | 48 Ų | 48 | 56 Ų | 56 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | trans | -56.1 | 124.5 | 167.4 | -51.8 | 0 | 0 | 0 | 0 | 109 | F15 E100 I101 P103 | T13-F15 HydrophobicContact CG2-CE1 4.06Å; T13-F15 HydrophobicContact CG2-CE2 3.93Å; T13-F15 HydrophobicContact CG2-CZ 3.61Å; T13-E100 HydrophobicContact CG2-CG 3.6Å; T13-I101 VanDerWaalsContact CA-O 3.25Å; T13-I101 WeakPolarHBondContact CA-O 3.35Å; T13-I101 WeakPolarHBondContact CG2-O 3.25Å; T13-P103 VanDerWaalsContact OG1-CD 3.27Å; T13-P103 WeakPolarHBondContact OG1-CD 3.27Å; T13-P103 WeakPolarHBondContact OG1-CG 3.28Å | ||
| 14 | I | 96.5 | Very high | 92.4 | Very high | 7 Ų | 7 | 56.3 Ų | 56.3 | 4% | 0.036 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 149 | 173.1 | 64.3 | 170.2 | 0 | 0 | 0 | 109.6 | P12 V16 W61 Q85 I101 | P12-I14 PolarHBondContact O-N 2.97Å; P12-I14 VanDerWaalsContact O-N 3.16Å; I14-V16 HydrophobicContact CD1-CG2 4.33Å; I14-W61 HydrophobicContact CD1-CD2 4.25Å; I14-W61 HydrophobicContact CD1-CH2 4.49Å; I14-W61 HydrophobicContact CD1-CZ2 4Å; I14-Q85 HydrophobicContact CB-CG 4.48Å; I14-I101 HydrophobicContact CD1-CB 4.36Å; I14-I101 HydrophobicContact CD1-CG1 4.47Å; I14-I101 HydrophobicContact CG1-CB 3.67Å; I14-I101 HydrophobicContact CG1-CG1 4.12Å; I14-I101 HydrophobicContact CG1-CG2 4.28Å; I14-I101 PolarHBondContact N-O 3.12Å; I14-I101 VanDerWaalsContact N-O 3.07Å; I14-I101 PolarHBondContact O-N 3.38Å |
| 15 | F | 96.5 | Very high | 93.7 | Very high | 15 Ų | 15 | 48 Ų | 48 | 7% | 0.066 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 127.1 | 178.3 | -57.2 | -83.8 | 0 | 0 | 0 | 107.9 | T13 Q85 V86 E88 W99 E100 | T13-F15 HydrophobicContact CG2-CE1 4.06Å; T13-F15 HydrophobicContact CG2-CE2 3.93Å; T13-F15 HydrophobicContact CG2-CZ 3.61Å; F15-Q85 CarbonylContact O-C 3.53Å; F15-Q85 WeakPolarHBondContact O-CA 3.31Å; F15-V86 HydrophobicContact CB-CG2 4.1Å; F15-V86 PolarHBondContact O-N 2.95Å; F15-E88 VanDerWaalsContact CD2-CA 3.41Å; F15-E88 HydrophobicContact CD2-CB 3.78Å; F15-E88 HydrophobicContact CD2-CG 4.28Å; F15-E88 HydrophobicContact CE1-CG 4.46Å; F15-E88 HydrophobicContact CE2-CB 3.42Å; F15-E88 VanDerWaalsContact CE2-CB 3.42Å; F15-E88 HydrophobicContact CE2-CG 3.53Å; F15-E88 HydrophobicContact CZ-CB 4.05Å; F15-E88 HydrophobicContact CZ-CG 3.62Å; F15-W99 WeakPolarHBondContact CA-O 3.41Å; F15-E100 HydrophobicContact CD1-CB 3.95Å; F15-E100 HydrophobicContact CD1-CG 3.92Å; F15-E100 HydrophobicContact CE1-CB 3.93Å; F15-E100 HydrophobicContact CE1-CG 3.47Å; F15-E100 VanDerWaalsContact CE1-CG 3.47Å; F15-E100 HydrophobicContact CZ-CG 4.25Å |
| 16 | V | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 130.6 | -178.3 | 179.1 | 0 | 0 | 0 | 0 | 108 | I14 W61 L63 L81 V84 R98 W99 | I14-V16 HydrophobicContact CD1-CG2 4.33Å; V16-W61 HydrophobicContact CG1-CB 4.06Å; V16-W61 HydrophobicContact CG2-CB 4.07Å; V16-W61 HydrophobicContact CG2-CG 3.99Å; V16-L63 HydrophobicContact CB-CD1 3.61Å; V16-L63 HydrophobicContact CG1-CD1 4.01Å; V16-L63 HydrophobicContact CG2-CD1 3.64Å; V16-L63 HydrophobicContact CG2-CG 4.45Å; V16-L81 HydrophobicContact CB-CD2 4.05Å; V16-L81 HydrophobicContact CG1-CD2 3.69Å; V16-V84 WeakPolarHBondContact CA-O 3.45Å; V16-R98 CarbonylContact O-C 3.42Å; V16-R98 VanDerWaalsContact O-CA 3.3Å; V16-R98 WeakPolarHBondContact O-CA 3.44Å; V16-W99 PolarHBondContact N-O 3.13Å; V16-W99 PolarHBondContact O-N 2.92Å |
| 17 | V | 96.9 | Very high | 94.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 129.6 | 172.9 | 172.3 | 0 | 0 | 0 | 0 | 108.1 | L46 L49 G83 V84 V86 A92 W96 V97 R98 | V17-L46 HydrophobicContact CG1-CD2 3.63Å; V17-L49 HydrophobicContact CG1-CD1 4.23Å; V17-G83 CarbonylContact O-C 3.53Å; V17-G83 WeakPolarHBondContact O-CA 3.43Å; V17-V84 PolarHBondContact N-O 3Å; V17-V84 PolarHBondContact O-N 3.28Å; V17-V86 HydrophobicContact CB-CG1 4.11Å; V17-V86 HydrophobicContact CB-CG2 4.28Å; V17-V86 HydrophobicContact CG2-CG1 4.2Å; V17-V86 HydrophobicContact CG2-CG2 3.6Å; V17-A92 HydrophobicContact CG1-CB 4.03Å; V17-A92 HydrophobicContact CG2-CB 4.22Å; V17-W96 HydrophobicContact CG1-CB 3.95Å; V17-W96 HydrophobicContact CG1-CE3 4.2Å; V17-W96 HydrophobicContact CG1-CG 4.46Å; V17-V97 WeakPolarHBondContact CA-O 3.27Å; V17-R98 HydrophobicContact CG2-CB 3.97Å; V17-R98 HydrophobicContact CG2-CG 4.08Å |
| 18 | G | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | -179.3 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A82 W96 V97 | G18-A82 CarbonylContact C-O 3.55Å; G18-A82 WeakPolarHBondContact CA-O 3.48Å; G18-W96 VanDerWaalsContact C-CE3 3.42Å; G18-V97 PolarHBondContact N-O 2.79Å; G18-V97 PolarHBondContact O-N 3.14Å |
| 19 | K | 97 | Very high | 93.9 | Very high | 23 Ų | 23 | 52.3 Ų | 52.3 | 10% | 0.1 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 119.6 | 168.9 | -64.1 | -56.5 | -167.8 | -167.5 | 0 | 108.4 | L35 Q38 M39 A82 G95 W96 | K19-L35 HydrophobicContact CB-CB 4.38Å; K19-L35 HydrophobicContact CB-CD2 4.34Å; K19-Q38 HydrophobicContact CG-CB 3.93Å; K19-M39 HydrophobicContact CG-CB 4.26Å; K19-A82 PolarHBondContact N-O 3.15Å; K19-A82 PolarHBondContact O-N 3.45Å; K19-G95 PolarHBondContact NZ-O 2.8Å; K19-W96 HydrophobicContact CD-CD2 4.13Å; K19-W96 HydrophobicContact CD-CE3 4.02Å; K19-W96 HydrophobicContact CD-CZ3 4.19Å; K19-W96 HydrophobicContact CG-CE3 4.28Å; K19-W96 HydrophobicContact CG-CH2 4.42Å; K19-W96 HydrophobicContact CG-CZ3 4.02Å |
| 20 | E | 96.3 | Very high | 93.8 | Very high | 63 Ų | 63 | 54.5 Ų | 54.5 | 29% | 0.294 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 137.2 | 176.9 | -174.8 | -179.4 | 93.8 | 0 | 0 | 109.8 | R79 Y80 L81 V97 W99 | E20-R79 IonicContact OE1-NE 3.99Å; E20-R79 IonicContact OE1-NH2 3.6Å; E20-R79 PolarHBondContact OE1-NH2 3.3Å; E20-R79 IonicContact OE2-CZ 3.73Å; E20-R79 IonicContact OE2-NE 3.34Å; E20-R79 IonicContact OE2-NH2 3.91Å; E20-R79 PolarHBondContact OE2-NH2 2.9Å; E20-Y80 CarbonylContact C-O 3.53Å; E20-Y80 VanDerWaalsContact CA-O 3.31Å; E20-Y80 WeakPolarHBondContact CA-O 3.22Å; E20-L81 HydrophobicContact CB-CD1 3.85Å; E20-V97 HydrophobicContact CB-CB 3.92Å; E20-V97 HydrophobicContact CB-CG1 4.31Å; E20-V97 HydrophobicContact CB-CG2 3.68Å; E20-W99 HydrophobicContact CG-CZ2 4.32Å; E20-W99 VanDerWaalsContact OE2-CE2 3.31Å; E20-W99 WeakPolarHBondContact OE2-CZ2 3.19Å; E20-W99 PolarHBondContact OE2-NE1 3.45Å |
| 21 | G | 95.1 | Very high | 93.7 | Very high | 11 Ų | 11 | 51.6 Ų | 51.6 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 161.9 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | R79 Y80 | G21-R79 WeakPolarHBondContact O-CA 3.25Å; G21-Y80 PolarHBondContact N-O 3.49Å; G21-Y80 PolarHBondContact O-N 3.3Å |
| 22 | H | 93.6 | Very high | 93.6 | Very high | 137 Ų | 137 | 51 Ų | 51 | 63% | 0.634 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 151.9 | 171.4 | 66.6 | -80.2 | 0 | 0 | 0 | 109.3 | G78 R79 | H22-G78 WeakPolarHBondContact CA-O 3.31Å; H22-R79 HydrophobicContact CB-CG 4.03Å |
| 23 | G | 93.3 | Very high | 93.4 | Very high | 16 Ų | 16 | 50.1 Ų | 50.1 | 17% | 0.165 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.3 | -177.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | A25 E77 G78 | G23-A25 PolarHBondContact O-N 3.18Å; G23-E77 CarbonylContact O-C 3.37Å; G23-E77 VanDerWaalsContact O-CA 3.26Å; G23-E77 WeakPolarHBondContact O-CA 3.4Å; G23-G78 PolarHBondContact N-O 3.35Å; G23-G78 VanDerWaalsContact N-O 3.1Å; G23-G78 PolarHBondContact O-N 3.25Å |
| 24 | L | 92.9 | Very high | 93.4 | Very high | 65 Ų | 65 | 52.7 Ų | 52.7 | 34% | 0.34 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 135.2 | 174.3 | -66.8 | 173.3 | 0 | 0 | 0 | 109.9 | E26 D27 G28 W31 N76 E77 | L24-E26 VanDerWaalsContact C-N 3.27Å; L24-E26 HydrophobicContact CB-CG 4.06Å; L24-E26 PolarHBondContact O-N 3.14Å; L24-D27 HydrophobicContact CB-CB 4.21Å; L24-D27 PolarHBondContact O-N 2.94Å; L24-D27 VanDerWaalsContact O-N 3.15Å; L24-G28 PolarHBondContact O-N 2.9Å; L24-W31 PolarHBondContact O-NE1 3.46Å; L24-W31 VanDerWaalsContact O-NE1 3.11Å; L24-N76 WeakPolarHBondContact CA-O 3.37Å; L24-E77 HydrophobicContact CD2-CG 4.04Å |
| 25 | A | 89.8 | Confident | 93.3 | Very high | 31 Ų | 31 | 52.9 Ų | 52.9 | 26% | 0.256 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -63.6 | -35.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | G23 D27 G28 W74 Q75 N76 | G23-A25 PolarHBondContact O-N 3.18Å; A25-D27 VanDerWaalsContact C-N 3.26Å; A25-D27 PolarHBondContact O-N 3.34Å; A25-G28 PolarHBondContact O-N 3.43Å; A25-G28 VanDerWaalsContact O-N 3.15Å; A25-W74 HydrophobicContact CB-CB 4.22Å; A25-W74 HydrophobicContact CB-CE3 3.97Å; A25-Q75 WeakPolarHBondContact CB-O 3.44Å; A25-N76 PolarHBondContact N-O 2.96Å |
| 26 | E | 89.5 | Confident | 93.2 | Very high | 158 Ų | 158 | 54 Ų | 54 | 74% | 0.738 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -31 | 175.5 | 63.1 | -176.6 | 155.6 | 0 | 0 | 112.9 | L24 G28 | L24-E26 VanDerWaalsContact C-N 3.27Å; L24-E26 HydrophobicContact CB-CG 4.06Å; L24-E26 PolarHBondContact O-N 3.14Å; E26-G28 VanDerWaalsContact C-N 3.33Å |
| 27 | D | 90.9 | Very high | 93 | Very high | 78 Ų | 78 | 58.6 Ų | 58.6 | 42% | 0.417 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 4.4 | 178.3 | -69.8 | -31.5 | 0 | 0 | 0 | 112.8 | L24 A25 Q29 S30 W31 | L24-D27 HydrophobicContact CB-CB 4.21Å; L24-D27 PolarHBondContact O-N 2.94Å; L24-D27 VanDerWaalsContact O-N 3.15Å; A25-D27 VanDerWaalsContact C-N 3.26Å; A25-D27 PolarHBondContact O-N 3.34Å; D27-Q29 PolarHBondContact O-N 2.94Å; D27-S30 WeakPolarHBondContact O-CB 3.29Å; D27-S30 PolarHBondContact O-N 3.38Å; D27-W31 PolarHBondContact O-NE1 2.9Å |
| 28 | G | 87.7 | Confident | 92.9 | Very high | 8 Ų | 8 | 62.8 Ų | 62.8 | 8% | 0.082 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -46.6 | -40.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | L24 A25 E26 S30 W31 V32 | L24-G28 PolarHBondContact O-N 2.9Å; A25-G28 PolarHBondContact O-N 3.43Å; A25-G28 VanDerWaalsContact O-N 3.15Å; E26-G28 VanDerWaalsContact C-N 3.33Å; G28-S30 PolarHBondContact O-N 3.38Å; G28-W31 VanDerWaalsContact CA-NE1 3.34Å; G28-W31 PolarHBondContact O-N 2.83Å; G28-V32 VanDerWaalsContact O-CB 3.27Å; G28-V32 WeakPolarHBondContact O-CB 3.33Å; G28-V32 VanDerWaalsContact O-CG2 3.28Å; G28-V32 WeakPolarHBondContact O-CG2 3.26Å; G28-V32 PolarHBondContact O-N 2.98Å |
| 29 | Q | 86.8 | Confident | 92.8 | Very high | 182 Ų | 182 | 62.8 Ų | 62.8 | 85% | 0.85 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.5 | -21.4 | 179.3 | -63.5 | -177.3 | -3.8 | 0 | 0 | 113.9 | D27 P33 | D27-Q29 PolarHBondContact O-N 2.94Å; Q29-P33 WeakPolarHBondContact O-CD 3.44Å; Q29-P33 WeakPolarHBondContact O-CG 3.48Å |
| 30 | S | 91 | Very high | 92.5 | Very high | 84 Ų | 84 | 66.4 Ų | 66.4 | 59% | 0.587 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -87.7 | -35.4 | -179.7 | -58.5 | 0 | 0 | 0 | 0 | 112.7 | D27 G28 | D27-S30 WeakPolarHBondContact O-CB 3.29Å; D27-S30 PolarHBondContact O-N 3.38Å; G28-S30 PolarHBondContact O-N 3.38Å |
| 31 | W | 93.9 | Very high | 92.3 | Very high | 37 Ų | 37 | 67.5 Ų | 67.5 | 14% | 0.14 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -108.3 | -28.5 | -171.4 | 61 | -99.2 | 0 | 0 | 0 | 114.3 | L24 D27 G28 L34 L35 W74 Y80 | L24-W31 PolarHBondContact O-NE1 3.46Å; L24-W31 VanDerWaalsContact O-NE1 3.11Å; D27-W31 PolarHBondContact O-NE1 2.9Å; G28-W31 VanDerWaalsContact CA-NE1 3.34Å; G28-W31 PolarHBondContact O-N 2.83Å; W31-L34 WeakPolarHBondContact O-CB 3.25Å; W31-L34 PolarHBondContact O-N 2.82Å; W31-L35 HydrophobicContact CE3-CD1 3.93Å; W31-L35 HydrophobicContact CZ3-CD1 3.82Å; W31-L35 PolarHBondContact O-N 3.35Å; W31-W74 AromaticContact CH2-CH2 3.5Å; W31-W74 HydrophobicContact CH2-CH2 3.5Å; W31-W74 AromaticContact CH2-CZ2 3.76Å; W31-W74 HydrophobicContact CH2-CZ2 3.76Å; W31-W74 HydrophobicContact CH2-CZ3 4.34Å; W31-W74 AromaticContact CZ2-CH2 3.63Å; W31-W74 HydrophobicContact CZ2-CH2 3.63Å; W31-W74 HydrophobicContact CZ2-CZ2 4.23Å; W31-W74 HydrophobicContact CZ2-CZ3 4.02Å; W31-Y80 VanDerWaalsContact CZ3-CB 3.47Å; W31-Y80 HydrophobicContact CZ3-CG 4.49Å |
| 32 | V | 93.4 | Very high | 92.2 | Very high | 20 Ų | 20 | 70.6 Ų | 70.6 | 12% | 0.121 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61 | -45.3 | 176.7 | 171.7 | 0 | 0 | 0 | 0 | 112.2 | G28 L34 L35 W36 W74 Y80 | G28-V32 VanDerWaalsContact O-CB 3.27Å; G28-V32 WeakPolarHBondContact O-CB 3.33Å; G28-V32 VanDerWaalsContact O-CG2 3.28Å; G28-V32 WeakPolarHBondContact O-CG2 3.26Å; G28-V32 PolarHBondContact O-N 2.98Å; V32-L34 PolarHBondContact O-N 2.87Å; V32-L35 WeakPolarHBondContact O-CB 3.48Å; V32-L35 PolarHBondContact O-N 2.97Å; V32-L35 VanDerWaalsContact O-N 3.08Å; V32-W36 PolarHBondContact O-N 2.91Å; V32-W74 HydrophobicContact CG2-CH2 3.89Å; V32-Y80 HydrophobicContact CG1-CD1 3.99Å; V32-Y80 HydrophobicContact CG1-CD2 4.06Å; V32-Y80 HydrophobicContact CG1-CE1 3.73Å; V32-Y80 HydrophobicContact CG1-CE2 3.79Å; V32-Y80 HydrophobicContact CG1-CG 4.15Å; V32-Y80 HydrophobicContact CG2-CD2 4.01Å; V32-Y80 HydrophobicContact CG2-CG 4.01Å |
| 33 | P | 91.8 | Very high | 92.1 | Very high | 70 Ų | 70 | 65.5 Ų | 65.5 | 46% | 0.455 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.9 | -29.7 | 177.9 | -25.2 | 36.7 | 0 | 0 | 0 | 113.6 | Q29 L35 W36 D37 | Q29-P33 WeakPolarHBondContact O-CD 3.44Å; Q29-P33 WeakPolarHBondContact O-CG 3.48Å; P33-L35 VanDerWaalsContact C-N 3.3Å; P33-L35 PolarHBondContact O-N 2.83Å; P33-W36 PolarHBondContact O-N 3.23Å; P33-D37 PolarHBondContact O-N 2.85Å |
| 34 | L | 94.8 | Very high | 92 | Very high | 101 Ų | 101 | 72.2 Ų | 72.2 | 53% | 0.529 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -66.9 | -32.6 | 176.5 | -59 | 176.9 | 0 | 0 | 0 | 111.8 | W31 V32 D37 Q38 | W31-L34 WeakPolarHBondContact O-CB 3.25Å; W31-L34 PolarHBondContact O-N 2.82Å; V32-L34 PolarHBondContact O-N 2.87Å; L34-D37 PolarHBondContact O-N 3.17Å; L34-Q38 WeakPolarHBondContact O-CB 3.35Å; L34-Q38 VanDerWaalsContact O-CG 3.26Å; L34-Q38 WeakPolarHBondContact O-CG 3.26Å; L34-Q38 PolarHBondContact O-N 2.77Å |
| 35 | L | 95.5 | Very high | 91.9 | Very high | 12 Ų | 12 | 72.8 Ų | 72.8 | 6% | 0.063 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -66.7 | -40.3 | 174.6 | -58.9 | 175 | 0 | 0 | 0 | 111.3 | K19 W31 V32 P33 Q38 M39 Y80 A82 | K19-L35 HydrophobicContact CB-CB 4.38Å; K19-L35 HydrophobicContact CB-CD2 4.34Å; W31-L35 HydrophobicContact CE3-CD1 3.93Å; W31-L35 HydrophobicContact CZ3-CD1 3.82Å; W31-L35 PolarHBondContact O-N 3.35Å; V32-L35 WeakPolarHBondContact O-CB 3.48Å; V32-L35 PolarHBondContact O-N 2.97Å; V32-L35 VanDerWaalsContact O-N 3.08Å; P33-L35 VanDerWaalsContact C-N 3.3Å; P33-L35 PolarHBondContact O-N 2.83Å; L35-Q38 PolarHBondContact O-N 2.7Å; L35-M39 WeakPolarHBondContact O-CB 3.45Å; L35-M39 PolarHBondContact O-N 3.4Å; L35-Y80 HydrophobicContact CD1-CD1 3.83Å; L35-Y80 HydrophobicContact CD1-CG 4.37Å; L35-A82 HydrophobicContact CB-CB 3.75Å |
| 36 | W | 93.9 | Very high | 92 | Very high | 37 Ų | 37 | 71.3 Ų | 71.3 | 14% | 0.14 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -65.2 | -42 | 173.8 | -76.5 | 111.9 | 0 | 0 | 0 | 112.1 | V32 P33 M39 N40 L60 Y80 A82 Y143 | V32-W36 PolarHBondContact O-N 2.91Å; P33-W36 PolarHBondContact O-N 3.23Å; W36-M39 HydrophobicContact CE3-SD 3.78Å; W36-M39 HydrophobicContact CZ3-CE 4.41Å; W36-M39 HydrophobicContact CZ3-SD 3.55Å; W36-M39 VanDerWaalsContact CZ3-SD 3.55Å; W36-M39 PolarHBondContact O-N 3.29Å; W36-N40 WeakPolarHBondContact O-CB 3.39Å; W36-N40 VanDerWaalsContact O-CG 3.26Å; W36-N40 PolarHBondContact O-N 3.28Å; W36-N40 PolarHBondContact O-ND2 3.17Å; W36-N40 VanDerWaalsContact O-ND2 3.16Å; W36-L60 HydrophobicContact CH2-CB 4.09Å; W36-L60 HydrophobicContact CZ3-CB 4.2Å; W36-Y80 HydrophobicContact CZ2-CE1 4.5Å; W36-Y80 AromaticContact NE1-CE1 3.74Å; W36-Y80 AromaticContact NE1-CZ 3.76Å; W36-Y80 PolarHBondContact NE1-OH 2.55Å; W36-A82 HydrophobicContact CD2-CB 3.65Å; W36-A82 HydrophobicContact CE3-CB 3.98Å; W36-A82 HydrophobicContact CG-CB 3.93Å; W36-A82 HydrophobicContact CZ2-CB 4.27Å; W36-A82 HydrophobicContact CZ3-CB 4.42Å; W36-Y143 AromaticContact CH2-CD2 3.85Å; W36-Y143 HydrophobicContact CH2-CD2 3.85Å; W36-Y143 HydrophobicContact CH2-CE2 4.25Å; W36-Y143 AromaticContact CZ2-CD2 3.65Å; W36-Y143 HydrophobicContact CZ2-CD2 3.65Å; W36-Y143 AromaticContact CZ2-CE2 3.56Å; W36-Y143 HydrophobicContact CZ2-CE2 3.56Å |
| 37 | D | 93.4 | Very high | 91.9 | Very high | 97 Ų | 97 | 67.4 Ų | 67.4 | 52% | 0.519 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 174.7 | -177.3 | 63.7 | 0 | 0 | 0 | 111.9 | P33 L34 N40 T41 | P33-D37 PolarHBondContact O-N 2.85Å; L34-D37 PolarHBondContact O-N 3.17Å; D37-N40 PolarHBondContact O-N 3.38Å; D37-T41 VanDerWaalsContact O-CB 3.28Å; D37-T41 WeakPolarHBondContact O-CB 3.48Å; D37-T41 PolarHBondContact O-N 3.15Å; D37-T41 PolarHBondContact O-OG1 3.41Å |
| 38 | Q | 94.5 | Very high | 91.7 | Very high | 88 Ų | 88 | 71.1 Ų | 71.1 | 41% | 0.411 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -62.5 | -44.8 | 174.3 | -73.6 | 176.4 | -7.8 | 0 | 0 | 112.1 | K19 L34 L35 N40 T41 H42 | K19-Q38 HydrophobicContact CG-CB 3.93Å; L34-Q38 WeakPolarHBondContact O-CB 3.35Å; L34-Q38 VanDerWaalsContact O-CG 3.26Å; L34-Q38 WeakPolarHBondContact O-CG 3.26Å; L34-Q38 PolarHBondContact O-N 2.77Å; L35-Q38 PolarHBondContact O-N 2.7Å; Q38-N40 VanDerWaalsContact C-N 3.34Å; Q38-N40 PolarHBondContact O-N 3.11Å; Q38-T41 PolarHBondContact O-N 3.3Å; Q38-H42 WeakPolarHBondContact O-CB 3.39Å; Q38-H42 PolarHBondContact O-CD2 2.89Å; Q38-H42 VanDerWaalsContact O-CD2 3.26Å; Q38-H42 PolarHBondContact O-N 2.89Å |
| 39 | M | 93.3 | Very high | 91.7 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.1 | -47.2 | 176.8 | 174.7 | -174.2 | 173.9 | 0 | 0 | 111 | K19 L35 W36 H42 F43 L60 G83 V84 W96 | K19-M39 HydrophobicContact CG-CB 4.26Å; L35-M39 WeakPolarHBondContact O-CB 3.45Å; L35-M39 PolarHBondContact O-N 3.4Å; W36-M39 HydrophobicContact CE3-SD 3.78Å; W36-M39 HydrophobicContact CZ3-CE 4.41Å; W36-M39 HydrophobicContact CZ3-SD 3.55Å; W36-M39 VanDerWaalsContact CZ3-SD 3.55Å; W36-M39 PolarHBondContact O-N 3.29Å; M39-H42 CarbonylContact O-C 3.54Å; M39-H42 PolarHBondContact O-N 3.45Å; M39-F43 HydrophobicContact CE-CD2 4.15Å; M39-F43 HydrophobicContact CE-CE2 4.17Å; M39-F43 VanDerWaalsContact O-CA 3.27Å; M39-F43 WeakPolarHBondContact O-CA 3.14Å; M39-F43 WeakPolarHBondContact O-CB 3.37Å; M39-F43 PolarHBondContact O-N 3.29Å; M39-L60 HydrophobicContact CE-CD2 3.5Å; M39-L60 VanDerWaalsContact CE-CD2 3.5Å; M39-G83 VanDerWaalsContact CE-C 3.46Å; M39-G83 VanDerWaalsContact SD-CA 3.53Å; M39-V84 HydrophobicContact CE-CB 3.79Å; M39-V84 HydrophobicContact CE-CG1 4.29Å; M39-W96 HydrophobicContact CB-CH2 4.34Å; M39-W96 HydrophobicContact CB-CZ3 4.31Å; M39-W96 HydrophobicContact CG-CH2 4.05Å; M39-W96 HydrophobicContact CG-CZ3 3.97Å |
| 40 | N | 91.1 | Very high | 91.7 | Very high | 100 Ų | 100 | 64 Ų | 64 | 54% | 0.535 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.9 | -41.1 | -178.2 | -72.9 | -31.8 | 0 | 0 | 0 | 112.1 | W36 D37 Q38 H42 F43 | W36-N40 WeakPolarHBondContact O-CB 3.39Å; W36-N40 VanDerWaalsContact O-CG 3.26Å; W36-N40 PolarHBondContact O-N 3.28Å; W36-N40 PolarHBondContact O-ND2 3.17Å; W36-N40 VanDerWaalsContact O-ND2 3.16Å; D37-N40 PolarHBondContact O-N 3.38Å; Q38-N40 VanDerWaalsContact C-N 3.34Å; Q38-N40 PolarHBondContact O-N 3.11Å; N40-H42 VanDerWaalsContact C-N 3.32Å; N40-H42 PolarHBondContact O-N 3.15Å; N40-F43 WeakPolarHBondContact O-CB 3.32Å; N40-F43 PolarHBondContact O-N 3.47Å |
| 41 | T | 93.3 | Very high | 91.2 | Very high | 86 Ų | 86 | 63.9 Ų | 63.9 | 53% | 0.528 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.6 | -40 | 177.6 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | D37 Q38 | D37-T41 VanDerWaalsContact O-CB 3.28Å; D37-T41 WeakPolarHBondContact O-CB 3.48Å; D37-T41 PolarHBondContact O-N 3.15Å; D37-T41 PolarHBondContact O-OG1 3.41Å; Q38-T41 PolarHBondContact O-N 3.3Å |
| 42 | H | 92.9 | Very high | 90.5 | Very high | 75 Ų | 75 | 65.8 Ų | 65.8 | 35% | 0.347 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 11.9 | -177.5 | -67.3 | -81.1 | 0 | 0 | 0 | 113.3 | Q38 M39 N40 E44 E45 W96 | Q38-H42 WeakPolarHBondContact O-CB 3.39Å; Q38-H42 PolarHBondContact O-CD2 2.89Å; Q38-H42 VanDerWaalsContact O-CD2 3.26Å; Q38-H42 PolarHBondContact O-N 2.89Å; M39-H42 CarbonylContact O-C 3.54Å; M39-H42 PolarHBondContact O-N 3.45Å; N40-H42 VanDerWaalsContact C-N 3.32Å; N40-H42 PolarHBondContact O-N 3.15Å; H42-E44 PolarHBondContact O-N 3.39Å; H42-E45 IonicContact CE1-OE1 3.98Å; H42-E45 IonicContact CG-OE1 3.95Å; H42-E45 IonicContact ND1-OE1 3.44Å; H42-E45 PolarHBondContact ND1-OE1 2.93Å; H42-E45 WeakPolarHBondContact O-CB 3.46Å; H42-E45 WeakPolarHBondContact O-CG 3.42Å; H42-E45 PolarHBondContact O-N 2.95Å; H42-W96 HydrophobicContact CB-CH2 4.37Å; H42-W96 HydrophobicContact CB-CZ2 3.66Å; H42-W96 WeakPolarHBondContact O-CZ2 3.26Å |
| 43 | F | 90.6 | Very high | 90 | Very high | 30 Ų | 30 | 68.9 Ų | 68.9 | 13% | 0.132 | 39% | 0.387 | C | S | . | . | G | 310 helix | trans | -58.5 | -29.9 | -171 | -175 | -92.7 | 0 | 0 | 0 | 113 | M39 N40 E45 L46 V47 L50 M55 L58 | M39-F43 HydrophobicContact CE-CD2 4.15Å; M39-F43 HydrophobicContact CE-CE2 4.17Å; M39-F43 VanDerWaalsContact O-CA 3.27Å; M39-F43 WeakPolarHBondContact O-CA 3.14Å; M39-F43 WeakPolarHBondContact O-CB 3.37Å; M39-F43 PolarHBondContact O-N 3.29Å; N40-F43 WeakPolarHBondContact O-CB 3.32Å; N40-F43 PolarHBondContact O-N 3.47Å; F43-E45 PolarHBondContact O-N 2.95Å; F43-E45 VanDerWaalsContact O-N 3.16Å; F43-L46 WeakPolarHBondContact O-CB 3.43Å; F43-L46 PolarHBondContact O-N 3.41Å; F43-V47 HydrophobicContact CE1-CG2 4.42Å; F43-L50 HydrophobicContact CE1-CD1 4.05Å; F43-L50 HydrophobicContact CE2-CD1 4.49Å; F43-L50 HydrophobicContact CZ-CD1 3.57Å; F43-M55 HydrophobicContact CD1-CE 4.14Å; F43-M55 HydrophobicContact CE1-CE 3.59Å; F43-M55 HydrophobicContact CZ-CE 4.01Å; F43-L58 HydrophobicContact CE1-CD1 4.36Å; F43-L58 HydrophobicContact CE2-CD1 4.32Å; F43-L58 HydrophobicContact CZ-CD1 3.55Å |
| 44 | E | 90.3 | Very high | 89.4 | Confident | 157 Ų | 157 | 70.8 Ų | 70.8 | 73% | 0.734 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -55.5 | -29.5 | 176.1 | 62.3 | 179.4 | -164.5 | 0 | 0 | 113.6 | H42 L46 V47 | H42-E44 PolarHBondContact O-N 3.39Å; E44-L46 PolarHBondContact O-N 3.42Å; E44-V47 WeakPolarHBondContact O-CG2 3.47Å; E44-V47 PolarHBondContact O-N 3.1Å |
| 45 | E | 92.4 | Very high | 88.7 | Confident | 77 Ų | 77 | 72.1 Ų | 72.1 | 36% | 0.36 | 40% | 0.395 | S | S | . | . | G | 310 helix | trans | -67.9 | -19.3 | 177.4 | -61.2 | 173.3 | -155.1 | 0 | 0 | 112.7 | H42 F43 W96 | H42-E45 IonicContact CE1-OE1 3.98Å; H42-E45 IonicContact CG-OE1 3.95Å; H42-E45 IonicContact ND1-OE1 3.44Å; H42-E45 PolarHBondContact ND1-OE1 2.93Å; H42-E45 WeakPolarHBondContact O-CB 3.46Å; H42-E45 WeakPolarHBondContact O-CG 3.42Å; H42-E45 PolarHBondContact O-N 2.95Å; F43-E45 PolarHBondContact O-N 2.95Å; F43-E45 VanDerWaalsContact O-N 3.16Å; E45-W96 HydrophobicContact CB-CZ2 4.44Å; E45-W96 PolarHBondContact OE2-NE1 3.08Å |
| 46 | L | 90.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 42% | 0.417 | C | S | . | . | G | 310 helix | trans | -94.6 | -11.5 | 179.3 | -60.4 | -172.9 | 0 | 0 | 0 | 113.6 | V17 F43 E44 D48 L49 L50 V84 P93 W96 | V17-L46 HydrophobicContact CG1-CD2 3.63Å; F43-L46 WeakPolarHBondContact O-CB 3.43Å; F43-L46 PolarHBondContact O-N 3.41Å; E44-L46 PolarHBondContact O-N 3.42Å; L46-D48 PolarHBondContact O-N 2.74Å; L46-L49 HydrophobicContact CD2-CD1 3.66Å; L46-L49 WeakPolarHBondContact O-CA 3.2Å; L46-L49 VanDerWaalsContact O-CB 3.32Å; L46-L49 WeakPolarHBondContact O-CB 3.03Å; L46-L49 PolarHBondContact O-N 2.92Å; L46-L50 WeakPolarHBondContact O-CG 3.49Å; L46-L50 PolarHBondContact O-N 2.99Å; L46-V84 HydrophobicContact CD1-CG1 3.58Å; L46-P93 HydrophobicContact CD2-CG 3.85Å; L46-W96 HydrophobicContact CD1-CE3 3.96Å; L46-W96 HydrophobicContact CD1-CH2 3.62Å; L46-W96 HydrophobicContact CD1-CZ2 4.27Å; L46-W96 HydrophobicContact CD1-CZ3 3.46Å; L46-W96 VanDerWaalsContact CD1-CZ3 3.46Å; L46-W96 HydrophobicContact CD2-CD2 3.8Å; L46-W96 HydrophobicContact CD2-CE3 3.89Å; L46-W96 HydrophobicContact CD2-CG 4.32Å; L46-W96 HydrophobicContact CD2-CH2 4.28Å; L46-W96 HydrophobicContact CD2-CZ2 4.19Å; L46-W96 HydrophobicContact CD2-CZ3 4.17Å; L46-W96 HydrophobicContact CG-CD2 4.37Å; L46-W96 HydrophobicContact CG-CE3 4.22Å; L46-W96 HydrophobicContact CG-CH2 3.78Å; L46-W96 HydrophobicContact CG-CZ2 3.92Å; L46-W96 HydrophobicContact CG-CZ3 3.96Å |
| 47 | V | 87.9 | Confident | 87.5 | Confident | 77 Ų | 77 | 79.6 Ų | 79.6 | 47% | 0.467 | 43% | 0.432 | S | S | . | . | G | 310 helix | trans | -55.7 | -40.2 | -172.1 | 171.1 | 0 | 0 | 0 | 0 | 112.1 | F43 E44 L49 L50 | F43-V47 HydrophobicContact CE1-CG2 4.42Å; E44-V47 WeakPolarHBondContact O-CG2 3.47Å; E44-V47 PolarHBondContact O-N 3.1Å; V47-L49 VanDerWaalsContact C-N 3.28Å; V47-L49 PolarHBondContact O-N 3.08Å; V47-L50 PolarHBondContact O-N 2.9Å |
| 48 | D | 87 | Confident | 87.3 | Confident | 155 Ų | 155 | 75.1 Ų | 75.1 | 83% | 0.829 | 41% | 0.408 | S | S | * | . | G | 310 helix | trans | -66.8 | -27.3 | 178.1 | -71.5 | -24.2 | 0 | 0 | 0 | 113.1 | L46 | L46-D48 PolarHBondContact O-N 2.74Š|
| 49 | L | 87.9 | Confident | 87.2 | Confident | 33 Ų | 33 | 74 Ų | 74 | 17% | 0.173 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -76.8 | -24.9 | 178.4 | -57.5 | 178.9 | 0 | 0 | 0 | 112.9 | V17 L46 V47 A51 V86 P87 A90 Q91 P93 | V17-L49 HydrophobicContact CG1-CD1 4.23Å; L46-L49 HydrophobicContact CD2-CD1 3.66Å; L46-L49 WeakPolarHBondContact O-CA 3.2Å; L46-L49 VanDerWaalsContact O-CB 3.32Å; L46-L49 WeakPolarHBondContact O-CB 3.03Å; L46-L49 PolarHBondContact O-N 2.92Å; V47-L49 VanDerWaalsContact C-N 3.28Å; V47-L49 PolarHBondContact O-N 3.08Å; L49-A51 PolarHBondContact O-N 3.2Å; L49-V86 HydrophobicContact CB-CG1 4.22Å; L49-P87 VanDerWaalsContact O-CD 3.32Å; L49-P87 WeakPolarHBondContact O-CD 3.47Å; L49-A90 HydrophobicContact CB-CB 4.28Å; L49-A90 HydrophobicContact CD2-CB 4.18Å; L49-Q91 VanDerWaalsContact CD2-O 3.24Å; L49-Q91 WeakPolarHBondContact CD2-O 3.35Å; L49-P93 HydrophobicContact CD1-CG 4.26Å |
| 50 | L | 86.2 | Confident | 87.3 | Confident | 8 Ų | 8 | 75.4 Ų | 75.4 | 4% | 0.042 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | -74.8 | -0.9 | -176 | -60.8 | 173.4 | 0 | 0 | 0 | 112.8 | F43 L46 V47 G52 Q53 L58 V84 V86 | F43-L50 HydrophobicContact CE1-CD1 4.05Å; F43-L50 HydrophobicContact CE2-CD1 4.49Å; F43-L50 HydrophobicContact CZ-CD1 3.57Å; L46-L50 WeakPolarHBondContact O-CG 3.49Å; L46-L50 PolarHBondContact O-N 2.99Å; V47-L50 PolarHBondContact O-N 2.9Å; L50-G52 PolarHBondContact O-N 2.93Å; L50-Q53 HydrophobicContact CB-CB 4.41Å; L50-Q53 WeakPolarHBondContact O-CB 3.46Å; L50-Q53 VanDerWaalsContact O-CG 3.25Å; L50-Q53 WeakPolarHBondContact O-CG 3.16Å; L50-Q53 PolarHBondContact O-N 2.85Å; L50-L58 HydrophobicContact CB-CD2 4.47Å; L50-L58 HydrophobicContact CD1-CD1 4.23Å; L50-L58 HydrophobicContact CD1-CD2 3.76Å; L50-L58 HydrophobicContact CD2-CD2 3.81Å; L50-L58 HydrophobicContact CG-CD2 4.2Å; L50-V84 HydrophobicContact CD2-CG1 3.94Å; L50-V84 HydrophobicContact CD2-CG2 3.85Å; L50-V86 HydrophobicContact CD2-CG1 4.41Å |
| 51 | A | 81.5 | Confident | 87.5 | Confident | 82 Ų | 82 | 70.9 Ų | 70.9 | 68% | 0.678 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 33.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114 | L49 P87 | L49-A51 PolarHBondContact O-N 3.2Å; A51-P87 HydrophobicContact CB-CG 4.29Å |
| 52 | G | 79.1 | Confident | 87.6 | Confident | 76 Ų | 76 | 66.8 Ų | 66.8 | 78% | 0.784 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 15.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L50 | L50-G52 PolarHBondContact O-N 2.93Š|
| 53 | Q | 81.4 | Confident | 87.8 | Confident | 86 Ų | 86 | 63.2 Ų | 63.2 | 40% | 0.402 | 34% | 0.344 | S | S | . | . | trans | -57.4 | 138.7 | 168.5 | -75 | 178.9 | 15.1 | 0 | 0 | 110.7 | L50 L58 | L50-Q53 HydrophobicContact CB-CB 4.41Å; L50-Q53 WeakPolarHBondContact O-CB 3.46Å; L50-Q53 VanDerWaalsContact O-CG 3.25Å; L50-Q53 WeakPolarHBondContact O-CG 3.16Å; L50-Q53 PolarHBondContact O-N 2.85Å; Q53-L58 HydrophobicContact CB-CD2 3.95Å | ||
| 54 | E | 80 | Confident | 88 | Confident | 110 Ų | 110 | 63.4 Ų | 63.4 | 51% | 0.514 | 35% | 0.345 | S | S | . | . | trans | -73.2 | 147.9 | 174.1 | -65.9 | -169.2 | 176.4 | 0 | 0 | 110.2 | K56 D57 | E54-K56 HydrophobicContact CB-CG 4.12Å; E54-K56 PolarHBondContact O-N 3.31Å; E54-K56 WeakPolarHBondContact OE2-CD 3.21Å; E54-K56 WeakPolarHBondContact OE2-CE 3.47Å; E54-K56 IonicContact OE2-NZ 2.87Å; E54-K56 PolarHBondContact OE2-NZ 3.46Å; E54-D57 PolarHBondContact O-N 3.38Å | ||
| 55 | M | 79.1 | Confident | 88.2 | Confident | 128 Ų | 128 | 55.9 Ų | 55.9 | 63% | 0.631 | 31% | 0.31 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -26.2 | 179.9 | -73.6 | -146.8 | 89.2 | 0 | 0 | 113.6 | F43 D57 L58 P145 | F43-M55 HydrophobicContact CD1-CE 4.14Å; F43-M55 HydrophobicContact CE1-CE 3.59Å; F43-M55 HydrophobicContact CZ-CE 4.01Å; M55-D57 VanDerWaalsContact C-N 3.32Å; M55-L58 HydrophobicContact CB-CD1 4.43Å; M55-L58 HydrophobicContact CE-CD1 4.08Å; M55-L58 HydrophobicContact CG-CD1 4.43Å; M55-P145 VanDerWaalsContact O-CB 3.29Å; M55-P145 WeakPolarHBondContact O-CB 3.17Å; M55-P145 WeakPolarHBondContact O-CG 3.45Å |
| 56 | K | 80.3 | Confident | 88.2 | Confident | 122 Ų | 122 | 52.6 Ų | 52.6 | 53% | 0.53 | 30% | 0.295 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -21.3 | 179.8 | 75.2 | -170.7 | -169.9 | -155.7 | 0 | 114 | E54 | E54-K56 HydrophobicContact CB-CG 4.12Å; E54-K56 PolarHBondContact O-N 3.31Å; E54-K56 WeakPolarHBondContact OE2-CD 3.21Å; E54-K56 WeakPolarHBondContact OE2-CE 3.47Å; E54-K56 IonicContact OE2-NZ 2.87Å; E54-K56 PolarHBondContact OE2-NZ 3.46Å |
| 57 | D | 85.5 | Confident | 88 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 45% | 0.449 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -5.4 | -173.1 | -62.7 | -43.1 | 0 | 0 | 0 | 112.2 | E54 M55 Q59 | E54-D57 PolarHBondContact O-N 3.38Å; M55-D57 VanDerWaalsContact C-N 3.32Å; D57-Q59 PolarHBondContact O-NE2 2.98Å |
| 58 | L | 89.1 | Confident | 87.9 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.021 | 33% | 0.326 | C | S | . | . | trans | -61.1 | 136.3 | 178 | -58.7 | 179.2 | 0 | 0 | 0 | 111 | F43 L50 Q53 M55 V84 P145 | F43-L58 HydrophobicContact CE1-CD1 4.36Å; F43-L58 HydrophobicContact CE2-CD1 4.32Å; F43-L58 HydrophobicContact CZ-CD1 3.55Å; L50-L58 HydrophobicContact CB-CD2 4.47Å; L50-L58 HydrophobicContact CD1-CD1 4.23Å; L50-L58 HydrophobicContact CD1-CD2 3.76Å; L50-L58 HydrophobicContact CD2-CD2 3.81Å; L50-L58 HydrophobicContact CG-CD2 4.2Å; Q53-L58 HydrophobicContact CB-CD2 3.95Å; M55-L58 HydrophobicContact CB-CD1 4.43Å; M55-L58 HydrophobicContact CE-CD1 4.08Å; M55-L58 HydrophobicContact CG-CD1 4.43Å; L58-V84 HydrophobicContact CB-CG2 4.22Å; L58-V84 HydrophobicContact CD2-CG2 4.34Å; L58-P145 HydrophobicContact CB-CG 4.05Å; L58-P145 WeakPolarHBondContact O-CD 3.28Å; L58-P145 WeakPolarHBondContact O-CG 3.38Å | ||
| 59 | Q | 92.4 | Very high | 88 | Confident | 64 Ų | 64 | 56.5 Ų | 56.5 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | trans | -102.6 | 107.8 | 174.2 | -49.7 | -67.1 | -63.7 | 0 | 0 | 107.4 | D57 V84 Q85 H142 | D57-Q59 PolarHBondContact O-NE2 2.98Å; Q59-V84 WeakPolarHBondContact O-CA 3.3Å; Q59-Q85 HydrophobicContact CB-CB 3.82Å; Q59-Q85 PolarHBondContact O-N 3.01Å; Q59-H142 PolarHBondContact OE1-CE1 3.46Å; Q59-H142 PolarHBondContact OE1-NE2 3.47Å | ||
| 60 | L | 94.2 | Very high | 88.3 | Confident | 30 Ų | 30 | 60.3 Ų | 60.3 | 16% | 0.157 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 132.5 | 178.6 | -56.8 | 169.8 | 0 | 0 | 0 | 108.7 | W36 M39 G83 V84 H142 Y143 | W36-L60 HydrophobicContact CH2-CB 4.09Å; W36-L60 HydrophobicContact CZ3-CB 4.2Å; M39-L60 HydrophobicContact CE-CD2 3.5Å; M39-L60 VanDerWaalsContact CE-CD2 3.5Å; L60-G83 CarbonylContact C-O 3.6Å; L60-G83 WeakPolarHBondContact CA-O 3.44Å; L60-V84 HydrophobicContact CD2-CB 3.94Å; L60-V84 HydrophobicContact CD2-CG2 4Å; L60-H142 WeakPolarHBondContact O-CA 3.47Å; L60-H142 PolarHBondContact O-CD2 2.8Å; L60-H142 VanDerWaalsContact O-CD2 3.24Å; L60-Y143 VanDerWaalsContact CB-O 3.31Å; L60-Y143 WeakPolarHBondContact CB-O 3.36Å; L60-Y143 PolarHBondContact N-O 2.94Å; L60-Y143 VanDerWaalsContact N-O 3.08Å; L60-Y143 PolarHBondContact O-N 3.12Å |
| 61 | W | 96 | Very high | 88.6 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 2% | 0.019 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 132.9 | -174 | -70.7 | 95.9 | 0 | 0 | 0 | 111.1 | L11 I14 V16 L63 L81 G83 H140 E141 H142 Y155 | L11-W61 HydrophobicContact CD1-CH2 3.84Å; L11-W61 HydrophobicContact CD1-CZ2 4.23Å; I14-W61 HydrophobicContact CD1-CD2 4.25Å; I14-W61 HydrophobicContact CD1-CH2 4.49Å; I14-W61 HydrophobicContact CD1-CZ2 4Å; V16-W61 HydrophobicContact CG1-CB 4.06Å; V16-W61 HydrophobicContact CG2-CB 4.07Å; V16-W61 HydrophobicContact CG2-CG 3.99Å; W61-L63 HydrophobicContact CB-CD2 4.05Å; W61-L63 HydrophobicContact CB-CG 3.99Å; W61-L63 HydrophobicContact CD2-CD2 4.41Å; W61-L63 HydrophobicContact CE3-CD2 4.1Å; W61-L63 HydrophobicContact CG-CD2 4.44Å; W61-L81 VanDerWaalsContact O-O 3.12Å; W61-G83 PolarHBondContact N-O 3.29Å; W61-G83 PolarHBondContact O-N 2.94Å; W61-H140 HydrophobicContact CE3-CB 4.4Å; W61-H140 HydrophobicContact CZ3-CB 4.43Å; W61-E141 CarbonylContact C-O 3.51Å; W61-E141 WeakPolarHBondContact CA-O 3.16Å; W61-H142 AromaticContact CD2-CD2 3.74Å; W61-H142 AromaticContact CE2-CD2 3.49Å; W61-H142 VanDerWaalsContact CE2-CD2 3.49Å; W61-H142 AromaticContact CE2-NE2 3.96Å; W61-H142 HydrophobicContact CE3-CB 3.96Å; W61-H142 HydrophobicContact CH2-CB 4.06Å; W61-H142 AromaticContact CH2-CD2 3.88Å; W61-H142 AromaticContact CH2-CG 3.89Å; W61-H142 AromaticContact CZ2-CD2 3.59Å; W61-H142 AromaticContact CZ2-NE2 3.88Å; W61-H142 HydrophobicContact CZ3-CB 3.71Å; W61-H142 AromaticContact NE1-CD2 3.96Å; W61-Y155 AromaticContact CH2-CD1 3.82Å; W61-Y155 HydrophobicContact CH2-CD1 3.82Å; W61-Y155 HydrophobicContact CH2-CD2 4.15Å; W61-Y155 AromaticContact CH2-CE1 3.63Å; W61-Y155 HydrophobicContact CH2-CE1 3.63Å; W61-Y155 AromaticContact CH2-CE2 3.98Å; W61-Y155 HydrophobicContact CH2-CE2 3.98Å; W61-Y155 HydrophobicContact CH2-CG 4.08Å; W61-Y155 AromaticContact CH2-CZ 3.7Å; W61-Y155 HydrophobicContact CZ3-CD1 4.05Å; W61-Y155 AromaticContact CZ3-CD2 3.91Å; W61-Y155 HydrophobicContact CZ3-CD2 3.91Å; W61-Y155 HydrophobicContact CZ3-CE1 4.27Å; W61-Y155 HydrophobicContact CZ3-CE2 4.15Å; W61-Y155 AromaticContact CZ3-CG 3.86Å; W61-Y155 HydrophobicContact CZ3-CG 3.86Å |
| 62 | G | 95.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 89.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y80 E141 | G62-Y80 WeakPolarHBondContact CA-OH 3.24Å; G62-E141 PolarHBondContact N-O 2.89Å; G62-E141 PolarHBondContact O-N 2.72Å |
| 63 | L | 97.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 138 | -180 | -57.4 | 175.9 | 0 | 0 | 0 | 109.9 | V16 W61 Y80 L81 W99 I101 H140 | V16-L63 HydrophobicContact CB-CD1 3.61Å; V16-L63 HydrophobicContact CG1-CD1 4.01Å; V16-L63 HydrophobicContact CG2-CD1 3.64Å; V16-L63 HydrophobicContact CG2-CG 4.45Å; W61-L63 HydrophobicContact CB-CD2 4.05Å; W61-L63 HydrophobicContact CB-CG 3.99Å; W61-L63 HydrophobicContact CD2-CD2 4.41Å; W61-L63 HydrophobicContact CE3-CD2 4.1Å; W61-L63 HydrophobicContact CG-CD2 4.44Å; L63-Y80 CarbonylContact O-C 3.58Å; L63-Y80 VanDerWaalsContact O-CA 3.31Å; L63-Y80 WeakPolarHBondContact O-CA 3.26Å; L63-L81 HydrophobicContact CB-CB 4.26Å; L63-L81 HydrophobicContact CD1-CD2 4.16Å; L63-L81 PolarHBondContact N-O 3.47Å; L63-L81 PolarHBondContact O-N 2.78Å; L63-W99 HydrophobicContact CB-CE3 3.53Å; L63-W99 HydrophobicContact CB-CZ3 3.63Å; L63-W99 HydrophobicContact CD1-CB 4.1Å; L63-W99 HydrophobicContact CD1-CE3 3.95Å; L63-W99 HydrophobicContact CG-CE3 4.41Å; L63-I101 HydrophobicContact CD1-CD1 3.81Å; L63-I101 HydrophobicContact CD1-CG1 3.6Å; L63-I101 HydrophobicContact CD2-CD1 4.47Å; L63-I101 HydrophobicContact CD2-CG1 4.09Å; L63-I101 HydrophobicContact CG-CG1 4.46Å; L63-H140 HydrophobicContact CD2-CB 4.07Å |
| 64 | M | 95.1 | Very high | 90 | Very high | 33 Ų | 33 | 59.4 Ų | 59.4 | 16% | 0.163 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 142.5 | -177.9 | -66 | 179.9 | -168.7 | 0 | 0 | 109.9 | W74 R79 Y80 A138 I139 H140 E141 | M64-W74 HydrophobicContact CB-CZ2 4.44Å; M64-W74 HydrophobicContact CG-CZ2 3.98Å; M64-W74 HydrophobicContact SD-CZ2 4.44Å; M64-R79 WeakPolarHBondContact CA-O 3.43Å; M64-Y80 HydrophobicContact CE-CD2 4.1Å; M64-Y80 HydrophobicContact CE-CE2 3.66Å; M64-Y80 HydrophobicContact CG-CD2 3.73Å; M64-Y80 HydrophobicContact CG-CE2 4.01Å; M64-A138 HydrophobicContact CB-CB 3.8Å; M64-A138 WeakPolarHBondContact O-CB 3.02Å; M64-I139 VanDerWaalsContact SD-O 3.34Å; M64-H140 PolarHBondContact N-ND1 2.87Å; M64-H140 PolarHBondContact O-CE1 3.37Å; M64-H140 VanDerWaalsContact O-CE1 3.31Å; M64-E141 HydrophobicContact CE-CG 3.96Å; M64-E141 WeakPolarHBondContact CE-OE1 3.42Å |
| 65 | S | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 149.1 | 172.4 | 177.4 | 0 | 0 | 0 | 0 | 109.4 | H69 W70 L71 E72 W74 R79 | S65-H69 PolarHBondContact OG-O 2.99Å; S65-W70 WeakPolarHBondContact OG-CA 3.33Å; S65-L71 PolarHBondContact OG-N 2.88Å; S65-E72 CarbonylContact C-O 3.42Å; S65-W74 PolarHBondContact O-NE1 3.47Å; S65-W74 VanDerWaalsContact O-NE1 3.08Å; S65-R79 PolarHBondContact N-O 3.49Å; S65-R79 WeakPolarHBondContact O-CA 3.32Å; S65-R79 WeakPolarHBondContact O-CB 3.27Å; S65-R79 PolarHBondContact O-N 2.81Å |
| 66 | D | 91.7 | Very high | 91 | Very high | 8 Ų | 8 | 60.4 Ų | 60.4 | 4% | 0.043 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 157.1 | 164.1 | -178.7 | 61.9 | 0 | 0 | 0 | 110.8 | E68 H69 E72 Q75 | D66-E68 WeakPolarHBondContact OD2-CB 3.36Å; D66-E68 PolarHBondContact OD2-N 2.83Å; D66-H69 HydrophobicContact CB-CB 4.44Å; D66-H69 WeakPolarHBondContact CB-O 3.42Å; D66-H69 IonicContact OD2-CG 2.63Å; D66-H69 PolarHBondContact OD2-N 3.07Å; D66-H69 IonicContact OD2-ND1 3.56Å; D66-H69 PolarHBondContact OD2-ND1 2.91Å; D66-E72 HydrophobicContact CB-CB 3.95Å; D66-E72 PolarHBondContact N-O 2.98Å; D66-Q75 WeakPolarHBondContact OD1-CG 3.2Å |
| 67 | A | 85.4 | Confident | 91.6 | Very high | 41 Ų | 41 | 59 Ų | 59 | 34% | 0.339 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -68.5 | -35.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | E77 | A67-E77 HydrophobicContact CB-CB 4.15Š|
| 68 | E | 86.9 | Confident | 92 | Very high | 166 Ų | 166 | 55 Ų | 55 | 78% | 0.776 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -97.6 | -36.8 | -176.7 | -60.5 | -172.8 | 160.2 | 0 | 0 | 112.1 | D66 | D66-E68 WeakPolarHBondContact OD2-CB 3.36Å; D66-E68 PolarHBondContact OD2-N 2.83Å |
| 69 | H | 89.3 | Confident | 92.3 | Very high | 107 Ų | 107 | 57.8 Ų | 57.8 | 50% | 0.495 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -116.8 | 118.8 | -173 | -55.3 | 87 | 0 | 0 | 0 | 112.3 | S65 D66 L71 E72 | S65-H69 PolarHBondContact OG-O 2.99Å; D66-H69 HydrophobicContact CB-CB 4.44Å; D66-H69 WeakPolarHBondContact CB-O 3.42Å; D66-H69 IonicContact OD2-CG 2.63Å; D66-H69 PolarHBondContact OD2-N 3.07Å; D66-H69 IonicContact OD2-ND1 3.56Å; D66-H69 PolarHBondContact OD2-ND1 2.91Å; H69-L71 PolarHBondContact O-N 2.79Å; H69-E72 HydrophobicContact CB-CB 3.8Å; H69-E72 HydrophobicContact CB-CG 3.52Å; H69-E72 PolarHBondContact O-N 3.2Å |
| 70 | W | 92.9 | Very high | 92.5 | Very high | 113 Ų | 113 | 54.8 Ų | 54.8 | 43% | 0.428 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | 124.8 | -177.1 | -175.3 | -115.3 | 0 | 0 | 0 | 112.7 | S65 E72 W99 I101 | S65-W70 WeakPolarHBondContact OG-CA 3.33Å; W70-E72 PolarHBondContact O-N 3.16Å; W70-W99 HydrophobicContact CH2-CB 4.05Å; W70-W99 AromaticContact CH2-CD1 3.83Å; W70-W99 AromaticContact CH2-CD2 3.35Å; W70-W99 HydrophobicContact CH2-CD2 3.35Å; W70-W99 AromaticContact CH2-CE2 3.68Å; W70-W99 AromaticContact CH2-CE3 3.69Å; W70-W99 HydrophobicContact CH2-CE3 3.69Å; W70-W99 AromaticContact CH2-CG 3.51Å; W70-W99 HydrophobicContact CH2-CG 3.51Å; W70-W99 HydrophobicContact CH2-CZ2 4.32Å; W70-W99 HydrophobicContact CH2-CZ3 4.31Å; W70-W99 AromaticContact CH2-NE1 3.95Å; W70-W99 HydrophobicContact CZ2-CB 4.37Å; W70-W99 HydrophobicContact CZ2-CD2 4.27Å; W70-W99 HydrophobicContact CZ2-CE3 4.33Å; W70-W99 HydrophobicContact CZ2-CG 4.29Å; W70-W99 AromaticContact CZ3-CD2 3.94Å; W70-W99 HydrophobicContact CZ3-CD2 3.94Å; W70-W99 AromaticContact CZ3-CE2 3.81Å; W70-W99 HydrophobicContact CZ3-CE3 4.2Å; W70-W99 HydrophobicContact CZ3-CG 4.41Å; W70-W99 HydrophobicContact CZ3-CH2 4.34Å; W70-W99 HydrophobicContact CZ3-CZ2 4.05Å; W70-W99 HydrophobicContact CZ3-CZ3 4.4Å; W70-I101 HydrophobicContact CZ2-CD1 4.35Å |
| 71 | L | 92.3 | Very high | 92.7 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 7% | 0.068 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 59.7 | 15.6 | -180 | -53.9 | 173.7 | 0 | 0 | 0 | 115 | S65 H69 I101 P102 G137 A138 | S65-L71 PolarHBondContact OG-N 2.88Å; H69-L71 PolarHBondContact O-N 2.79Å; L71-I101 HydrophobicContact CD1-CD1 4.1Å; L71-I101 HydrophobicContact CD2-CD1 3.51Å; L71-I101 HydrophobicContact CG-CD1 4.42Å; L71-P102 HydrophobicContact CD1-CG 4.06Å; L71-G137 CarbonylContact O-C 3.47Å; L71-G137 WeakPolarHBondContact O-CA 3.28Å; L71-A138 PolarHBondContact O-N 2.87Å |
| 72 | E | 92.2 | Very high | 92.7 | Very high | 91 Ų | 91 | 53.1 Ų | 53.1 | 43% | 0.425 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -79.9 | 161.7 | 167.8 | -70.4 | -66.6 | 165.8 | 0 | 0 | 110.7 | S65 D66 H69 W70 A138 | S65-E72 CarbonylContact C-O 3.42Å; D66-E72 HydrophobicContact CB-CB 3.95Å; D66-E72 PolarHBondContact N-O 2.98Å; H69-E72 HydrophobicContact CB-CB 3.8Å; H69-E72 HydrophobicContact CB-CG 3.52Å; H69-E72 PolarHBondContact O-N 3.2Å; W70-E72 PolarHBondContact O-N 3.16Å; E72-A138 WeakPolarHBondContact O-CB 3.41Å |
| 73 | L | 90.5 | Very high | 92.7 | Very high | 71 Ų | 71 | 53.1 Ų | 53.1 | 37% | 0.372 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -60 | 143.2 | 176.7 | -65.7 | 166.1 | 0 | 0 | 0 | 111.2 | Q75 L135 | L73-Q75 PolarHBondContact O-N 3.05Å; L73-Q75 PolarHBondContact O-NE2 3.18Å; L73-L135 HydrophobicContact CD1-CD2 4Å; L73-L135 HydrophobicContact CD2-CD2 3.69Å; L73-L135 HydrophobicContact CG-CD2 4.23Å |
| 74 | W | 90.4 | Very high | 92.5 | Very high | 57 Ų | 57 | 53.1 Ų | 53.1 | 22% | 0.216 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -52.2 | 133.7 | 168.5 | -68.5 | 1.2 | 0 | 0 | 0 | 111.1 | A25 W31 V32 M64 S65 R79 Y80 | A25-W74 HydrophobicContact CB-CB 4.22Å; A25-W74 HydrophobicContact CB-CE3 3.97Å; W31-W74 AromaticContact CH2-CH2 3.5Å; W31-W74 HydrophobicContact CH2-CH2 3.5Å; W31-W74 AromaticContact CH2-CZ2 3.76Å; W31-W74 HydrophobicContact CH2-CZ2 3.76Å; W31-W74 HydrophobicContact CH2-CZ3 4.34Å; W31-W74 AromaticContact CZ2-CH2 3.63Å; W31-W74 HydrophobicContact CZ2-CH2 3.63Å; W31-W74 HydrophobicContact CZ2-CZ2 4.23Å; W31-W74 HydrophobicContact CZ2-CZ3 4.02Å; V32-W74 HydrophobicContact CG2-CH2 3.89Å; M64-W74 HydrophobicContact CB-CZ2 4.44Å; M64-W74 HydrophobicContact CG-CZ2 3.98Å; M64-W74 HydrophobicContact SD-CZ2 4.44Å; S65-W74 PolarHBondContact O-NE1 3.47Å; S65-W74 VanDerWaalsContact O-NE1 3.08Å; W74-R79 PolarHBondContact NE1-O 2.81Å; W74-Y80 HydrophobicContact CH2-CD2 4.03Å; W74-Y80 AromaticContact CZ2-CD2 3.82Å; W74-Y80 HydrophobicContact CZ2-CD2 3.82Å; W74-Y80 HydrophobicContact CZ2-CG 4.31Å |
| 75 | Q | 89.2 | Confident | 92.5 | Very high | 121 Ų | 121 | 54.2 Ų | 54.2 | 57% | 0.565 | 26% | 0.257 | S | S | * | . | S | Bend | trans | -103.7 | -114.8 | 173.7 | -56.7 | -56.5 | -37.8 | 0 | 0 | 108.6 | A25 D66 L73 E77 | A25-Q75 WeakPolarHBondContact CB-O 3.44Å; D66-Q75 WeakPolarHBondContact OD1-CG 3.2Å; L73-Q75 PolarHBondContact O-N 3.05Å; L73-Q75 PolarHBondContact O-NE2 3.18Å; Q75-E77 PolarHBondContact N-O 3.35Å |
| 76 | N | 91.1 | Very high | 92.5 | Very high | 138 Ų | 138 | 54.6 Ų | 54.6 | 74% | 0.738 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -73 | -37.1 | 172.2 | -59.4 | -34.2 | 0 | 0 | 0 | 111.1 | L24 A25 | L24-N76 WeakPolarHBondContact CA-O 3.37Å; A25-N76 PolarHBondContact N-O 2.96Å |
| 77 | E | 92.2 | Very high | 92.6 | Very high | 94 Ų | 94 | 56.6 Ų | 56.6 | 44% | 0.439 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 152.9 | 178.1 | -68.8 | -179.6 | -168.7 | 0 | 0 | 109.9 | G23 L24 A67 Q75 | G23-E77 CarbonylContact O-C 3.37Å; G23-E77 VanDerWaalsContact O-CA 3.26Å; G23-E77 WeakPolarHBondContact O-CA 3.4Å; L24-E77 HydrophobicContact CD2-CG 4.04Å; A67-E77 HydrophobicContact CB-CB 4.15Å; Q75-E77 PolarHBondContact N-O 3.35Å |
| 78 | G | 93.6 | Very high | 92.9 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 149.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | H22 G23 | H22-G78 WeakPolarHBondContact CA-O 3.31Å; G23-G78 PolarHBondContact N-O 3.35Å; G23-G78 VanDerWaalsContact N-O 3.1Å; G23-G78 PolarHBondContact O-N 3.25Å |
| 79 | R | 95.8 | Very high | 93.1 | Very high | 62 Ų | 62 | 61.9 Ų | 61.9 | 23% | 0.234 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 136.8 | 165.3 | -66.2 | 174 | 65.3 | -164.2 | 0.5 | 108.9 | E20 G21 H22 M64 S65 W74 W99 | E20-R79 IonicContact OE1-NE 3.99Å; E20-R79 IonicContact OE1-NH2 3.6Å; E20-R79 PolarHBondContact OE1-NH2 3.3Å; E20-R79 IonicContact OE2-CZ 3.73Å; E20-R79 IonicContact OE2-NE 3.34Å; E20-R79 IonicContact OE2-NH2 3.91Å; E20-R79 PolarHBondContact OE2-NH2 2.9Å; G21-R79 WeakPolarHBondContact O-CA 3.25Å; H22-R79 HydrophobicContact CB-CG 4.03Å; M64-R79 WeakPolarHBondContact CA-O 3.43Å; S65-R79 PolarHBondContact N-O 3.49Å; S65-R79 WeakPolarHBondContact O-CA 3.32Å; S65-R79 WeakPolarHBondContact O-CB 3.27Å; S65-R79 PolarHBondContact O-N 2.81Å; W74-R79 PolarHBondContact NE1-O 2.81Å; R79-W99 HydrophobicContact CB-CH2 4.1Å; R79-W99 HydrophobicContact CB-CZ2 4.19Å |
| 80 | Y | 96.7 | Very high | 93.2 | Very high | 1 Ų | 1 | 57.2 Ų | 57.2 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 139.9 | 176.1 | -165.3 | -87.9 | 0 | 0 | 0 | 109.8 | E20 G21 W31 V32 L35 W36 G62 L63 M64 W74 A82 E141 | E20-Y80 CarbonylContact C-O 3.53Å; E20-Y80 VanDerWaalsContact CA-O 3.31Å; E20-Y80 WeakPolarHBondContact CA-O 3.22Å; G21-Y80 PolarHBondContact N-O 3.49Å; G21-Y80 PolarHBondContact O-N 3.3Å; W31-Y80 VanDerWaalsContact CZ3-CB 3.47Å; W31-Y80 HydrophobicContact CZ3-CG 4.49Å; V32-Y80 HydrophobicContact CG1-CD1 3.99Å; V32-Y80 HydrophobicContact CG1-CD2 4.06Å; V32-Y80 HydrophobicContact CG1-CE1 3.73Å; V32-Y80 HydrophobicContact CG1-CE2 3.79Å; V32-Y80 HydrophobicContact CG1-CG 4.15Å; V32-Y80 HydrophobicContact CG2-CD2 4.01Å; V32-Y80 HydrophobicContact CG2-CG 4.01Å; L35-Y80 HydrophobicContact CD1-CD1 3.83Å; L35-Y80 HydrophobicContact CD1-CG 4.37Å; W36-Y80 HydrophobicContact CZ2-CE1 4.5Å; W36-Y80 AromaticContact NE1-CE1 3.74Å; W36-Y80 AromaticContact NE1-CZ 3.76Å; W36-Y80 PolarHBondContact NE1-OH 2.55Å; G62-Y80 WeakPolarHBondContact CA-OH 3.24Å; L63-Y80 CarbonylContact O-C 3.58Å; L63-Y80 VanDerWaalsContact O-CA 3.31Å; L63-Y80 WeakPolarHBondContact O-CA 3.26Å; M64-Y80 HydrophobicContact CE-CD2 4.1Å; M64-Y80 HydrophobicContact CE-CE2 3.66Å; M64-Y80 HydrophobicContact CG-CD2 3.73Å; M64-Y80 HydrophobicContact CG-CE2 4.01Å; W74-Y80 HydrophobicContact CH2-CD2 4.03Å; W74-Y80 AromaticContact CZ2-CD2 3.82Å; W74-Y80 HydrophobicContact CZ2-CD2 3.82Å; W74-Y80 HydrophobicContact CZ2-CG 4.31Å; Y80-A82 HydrophobicContact CD1-CB 4.25Å; Y80-A82 HydrophobicContact CE1-CB 3.82Å; Y80-E141 PolarHBondContact OH-OE2 3.16Å |
| 81 | L | 97.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 112.3 | 167.2 | -173 | 83 | 0 | 0 | 0 | 109.1 | V16 E20 W61 L63 V97 W99 | V16-L81 HydrophobicContact CB-CD2 4.05Å; V16-L81 HydrophobicContact CG1-CD2 3.69Å; E20-L81 HydrophobicContact CB-CD1 3.85Å; W61-L81 VanDerWaalsContact O-O 3.12Å; L63-L81 HydrophobicContact CB-CB 4.26Å; L63-L81 HydrophobicContact CD1-CD2 4.16Å; L63-L81 PolarHBondContact N-O 3.47Å; L63-L81 PolarHBondContact O-N 2.78Å; L81-V97 HydrophobicContact CD1-CB 3.95Å; L81-V97 HydrophobicContact CD1-CG1 4.35Å; L81-W99 HydrophobicContact CB-CD2 3.89Å; L81-W99 HydrophobicContact CB-CE3 4.12Å; L81-W99 HydrophobicContact CB-CG 4.42Å; L81-W99 HydrophobicContact CB-CH2 4.32Å; L81-W99 HydrophobicContact CB-CZ2 4.13Å; L81-W99 HydrophobicContact CB-CZ3 4.33Å; L81-W99 HydrophobicContact CD2-CB 3.83Å; L81-W99 HydrophobicContact CD2-CD2 3.99Å; L81-W99 HydrophobicContact CD2-CG 3.65Å; L81-W99 HydrophobicContact CG-CD2 4.44Å; L81-W99 HydrophobicContact CG-CG 4.46Å |
| 82 | A | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 107.7 | 166.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | G18 K19 L35 W36 Y80 | G18-A82 CarbonylContact C-O 3.55Å; G18-A82 WeakPolarHBondContact CA-O 3.48Å; K19-A82 PolarHBondContact N-O 3.15Å; K19-A82 PolarHBondContact O-N 3.45Å; L35-A82 HydrophobicContact CB-CB 3.75Å; W36-A82 HydrophobicContact CD2-CB 3.65Å; W36-A82 HydrophobicContact CE3-CB 3.98Å; W36-A82 HydrophobicContact CG-CB 3.93Å; W36-A82 HydrophobicContact CZ2-CB 4.27Å; W36-A82 HydrophobicContact CZ3-CB 4.42Å; Y80-A82 HydrophobicContact CD1-CB 4.25Å; Y80-A82 HydrophobicContact CE1-CB 3.82Å |
| 83 | G | 95.6 | Very high | 93.3 | Very high | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 178 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V17 M39 L60 W61 | V17-G83 CarbonylContact O-C 3.53Å; V17-G83 WeakPolarHBondContact O-CA 3.43Å; M39-G83 VanDerWaalsContact CE-C 3.46Å; M39-G83 VanDerWaalsContact SD-CA 3.53Å; L60-G83 CarbonylContact C-O 3.6Å; L60-G83 WeakPolarHBondContact CA-O 3.44Å; W61-G83 PolarHBondContact N-O 3.29Å; W61-G83 PolarHBondContact O-N 2.94Å |
| 84 | V | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 142.1 | 175.3 | 64.9 | 0 | 0 | 0 | 0 | 109.5 | V16 V17 M39 L46 L50 L58 Q59 L60 V86 | V16-V84 WeakPolarHBondContact CA-O 3.45Å; V17-V84 PolarHBondContact N-O 3Å; V17-V84 PolarHBondContact O-N 3.28Å; M39-V84 HydrophobicContact CE-CB 3.79Å; M39-V84 HydrophobicContact CE-CG1 4.29Å; L46-V84 HydrophobicContact CD1-CG1 3.58Å; L50-V84 HydrophobicContact CD2-CG1 3.94Å; L50-V84 HydrophobicContact CD2-CG2 3.85Å; L58-V84 HydrophobicContact CB-CG2 4.22Å; L58-V84 HydrophobicContact CD2-CG2 4.34Å; Q59-V84 WeakPolarHBondContact O-CA 3.3Å; L60-V84 HydrophobicContact CD2-CB 3.94Å; L60-V84 HydrophobicContact CD2-CG2 4Å; V84-V86 HydrophobicContact CG1-CG1 4.16Å; V84-V86 PolarHBondContact O-N 2.92Å |
| 85 | Q | 95 | Very high | 93.5 | Very high | 56 Ų | 56 | 63.9 Ų | 63.9 | 26% | 0.262 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 131.4 | 172.3 | -168 | 175.6 | -40.7 | 0 | 0 | 110.1 | I14 F15 Q59 | I14-Q85 HydrophobicContact CB-CG 4.48Å; F15-Q85 CarbonylContact O-C 3.53Å; F15-Q85 WeakPolarHBondContact O-CA 3.31Å; Q59-Q85 HydrophobicContact CB-CB 3.82Å; Q59-Q85 PolarHBondContact O-N 3.01Å |
| 86 | V | 94.4 | Very high | 93.8 | Very high | 7 Ų | 7 | 58.9 Ų | 58.9 | 4% | 0.042 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 161.3 | -179.8 | -64.9 | 0 | 0 | 0 | 0 | 110.8 | F15 V17 L49 L50 V84 A90 | F15-V86 HydrophobicContact CB-CG2 4.1Å; F15-V86 PolarHBondContact O-N 2.95Å; V17-V86 HydrophobicContact CB-CG1 4.11Å; V17-V86 HydrophobicContact CB-CG2 4.28Å; V17-V86 HydrophobicContact CG2-CG1 4.2Å; V17-V86 HydrophobicContact CG2-CG2 3.6Å; L49-V86 HydrophobicContact CB-CG1 4.22Å; L50-V86 HydrophobicContact CD2-CG1 4.41Å; V84-V86 HydrophobicContact CG1-CG1 4.16Å; V84-V86 PolarHBondContact O-N 2.92Å; V86-A90 HydrophobicContact CB-CB 3.66Å; V86-A90 HydrophobicContact CG1-CB 4.44Å; V86-A90 HydrophobicContact CG2-CB 3.68Å |
| 87 | P | 93.1 | Very high | 94 | Very high | 50 Ų | 50 | 54.6 Ų | 54.6 | 33% | 0.325 | 29% | 0.285 | S | S | . | . | trans | -58.8 | 151.3 | 170.3 | -23.3 | 34.3 | 0 | 0 | 0 | 112.3 | L49 A51 K89 A90 | L49-P87 VanDerWaalsContact O-CD 3.32Å; L49-P87 WeakPolarHBondContact O-CD 3.47Å; A51-P87 HydrophobicContact CB-CG 4.29Å; P87-K89 PolarHBondContact O-N 2.99Å; P87-A90 WeakPolarHBondContact O-CB 3.32Å; P87-A90 PolarHBondContact O-N 2.78Å | ||
| 88 | E | 92 | Very high | 94.2 | Very high | 131 Ų | 131 | 54.2 Ų | 54.2 | 61% | 0.612 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -33.2 | 178.9 | 175.2 | 178.9 | -169.1 | 0 | 0 | 114.6 | F15 A90 R98 | F15-E88 VanDerWaalsContact CD2-CA 3.41Å; F15-E88 HydrophobicContact CD2-CB 3.78Å; F15-E88 HydrophobicContact CD2-CG 4.28Å; F15-E88 HydrophobicContact CE1-CG 4.46Å; F15-E88 HydrophobicContact CE2-CB 3.42Å; F15-E88 VanDerWaalsContact CE2-CB 3.42Å; F15-E88 HydrophobicContact CE2-CG 3.53Å; F15-E88 HydrophobicContact CZ-CB 4.05Å; F15-E88 HydrophobicContact CZ-CG 3.62Å; E88-A90 VanDerWaalsContact C-N 3.35Å; E88-R98 VanDerWaalsContact O-CZ 3.3Å; E88-R98 PolarHBondContact O-NH1 3.37Å; E88-R98 PolarHBondContact O-NH2 2.85Å |
| 89 | K | 91.4 | Very high | 94.4 | Very high | 187 Ų | 187 | 54.5 Ų | 54.5 | 81% | 0.813 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | -5.2 | -177.6 | -61.6 | -177.7 | -177.6 | 177.7 | 0 | 113.6 | P87 | P87-K89 PolarHBondContact O-N 2.99Š|
| 90 | A | 91.2 | Very high | 94.4 | Very high | 10 Ų | 10 | 56.8 Ų | 56.8 | 8% | 0.083 | 29% | 0.294 | C | S | . | . | trans | -67.4 | 135.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.3 | L49 V86 P87 E88 R98 | L49-A90 HydrophobicContact CB-CB 4.28Å; L49-A90 HydrophobicContact CD2-CB 4.18Å; V86-A90 HydrophobicContact CB-CB 3.66Å; V86-A90 HydrophobicContact CG1-CB 4.44Å; V86-A90 HydrophobicContact CG2-CB 3.68Å; P87-A90 WeakPolarHBondContact O-CB 3.32Å; P87-A90 PolarHBondContact O-N 2.78Å; E88-A90 VanDerWaalsContact C-N 3.35Å; A90-R98 PolarHBondContact O-NH1 3.41Å | ||
| 91 | Q | 91.2 | Very high | 94.4 | Very high | 156 Ų | 156 | 56.9 Ų | 56.9 | 73% | 0.729 | 29% | 0.294 | S | S | * | . | trans | -108 | 132.8 | 176.3 | -71.1 | 172.7 | 72.2 | 0 | 0 | 107.8 | L49 | L49-Q91 VanDerWaalsContact CD2-O 3.24Å; L49-Q91 WeakPolarHBondContact CD2-O 3.35Å | ||
| 92 | A | 93.5 | Very high | 94.3 | Very high | 36 Ų | 36 | 59.3 Ų | 59.3 | 30% | 0.298 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 132.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | V17 W96 R98 | V17-A92 HydrophobicContact CG1-CB 4.03Å; V17-A92 HydrophobicContact CG2-CB 4.22Å; A92-W96 HydrophobicContact CB-CB 4.12Å; A92-R98 HydrophobicContact CB-CB 4.09Å |
| 93 | P | 93.7 | Very high | 94.2 | Very high | 38 Ų | 38 | 63.3 Ų | 63.3 | 25% | 0.247 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 169.7 | 171.1 | 19.7 | -21.1 | 0 | 0 | 0 | 110.8 | L46 L49 G95 W96 | L46-P93 HydrophobicContact CD2-CG 3.85Å; L49-P93 HydrophobicContact CD1-CG 4.26Å; P93-G95 PolarHBondContact O-N 2.88Å; P93-W96 HydrophobicContact CG-CB 4.31Å; P93-W96 HydrophobicContact CG-CG 3.91Å; P93-W96 WeakPolarHBondContact O-CB 3.43Å; P93-W96 PolarHBondContact O-N 3.06Å; P93-W96 VanDerWaalsContact O-N 3.12Å |
| 94 | E | 92.4 | Very high | 94.2 | Very high | 192 Ų | 192 | 65.7 Ų | 65.7 | 90% | 0.897 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | 134.6 | 179 | -173.1 | 173.9 | -174.4 | 0 | 0 | 111.1 | W96 | E94-W96 VanDerWaalsContact C-N 3.3Å; E94-W96 PolarHBondContact O-N 2.85Å |
| 95 | G | 93 | Very high | 94.2 | Very high | 62 Ų | 62 | 67 Ų | 67 | 64% | 0.639 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.9 | 9.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | K19 P93 | K19-G95 PolarHBondContact NZ-O 2.8Å; P93-G95 PolarHBondContact O-N 2.88Å |
| 96 | W | 95.8 | Very high | 94.2 | Very high | 16 Ų | 16 | 64.5 Ų | 64.5 | 6% | 0.061 | 35% | 0.345 | C | S | . | . | trans | -118 | 156.4 | 172.2 | -63.7 | 77.6 | 0 | 0 | 0 | 111.1 | V17 G18 K19 M39 H42 E45 L46 A92 P93 E94 | V17-W96 HydrophobicContact CG1-CB 3.95Å; V17-W96 HydrophobicContact CG1-CE3 4.2Å; V17-W96 HydrophobicContact CG1-CG 4.46Å; G18-W96 VanDerWaalsContact C-CE3 3.42Å; K19-W96 HydrophobicContact CD-CD2 4.13Å; K19-W96 HydrophobicContact CD-CE3 4.02Å; K19-W96 HydrophobicContact CD-CZ3 4.19Å; K19-W96 HydrophobicContact CG-CE3 4.28Å; K19-W96 HydrophobicContact CG-CH2 4.42Å; K19-W96 HydrophobicContact CG-CZ3 4.02Å; M39-W96 HydrophobicContact CB-CH2 4.34Å; M39-W96 HydrophobicContact CB-CZ3 4.31Å; M39-W96 HydrophobicContact CG-CH2 4.05Å; M39-W96 HydrophobicContact CG-CZ3 3.97Å; H42-W96 HydrophobicContact CB-CH2 4.37Å; H42-W96 HydrophobicContact CB-CZ2 3.66Å; H42-W96 WeakPolarHBondContact O-CZ2 3.26Å; E45-W96 HydrophobicContact CB-CZ2 4.44Å; E45-W96 PolarHBondContact OE2-NE1 3.08Å; L46-W96 HydrophobicContact CD1-CE3 3.96Å; L46-W96 HydrophobicContact CD1-CH2 3.62Å; L46-W96 HydrophobicContact CD1-CZ2 4.27Å; L46-W96 HydrophobicContact CD1-CZ3 3.46Å; L46-W96 VanDerWaalsContact CD1-CZ3 3.46Å; L46-W96 HydrophobicContact CD2-CD2 3.8Å; L46-W96 HydrophobicContact CD2-CE3 3.89Å; L46-W96 HydrophobicContact CD2-CG 4.32Å; L46-W96 HydrophobicContact CD2-CH2 4.28Å; L46-W96 HydrophobicContact CD2-CZ2 4.19Å; L46-W96 HydrophobicContact CD2-CZ3 4.17Å; L46-W96 HydrophobicContact CG-CD2 4.37Å; L46-W96 HydrophobicContact CG-CE3 4.22Å; L46-W96 HydrophobicContact CG-CH2 3.78Å; L46-W96 HydrophobicContact CG-CZ2 3.92Å; L46-W96 HydrophobicContact CG-CZ3 3.96Å; A92-W96 HydrophobicContact CB-CB 4.12Å; P93-W96 HydrophobicContact CG-CB 4.31Å; P93-W96 HydrophobicContact CG-CG 3.91Å; P93-W96 WeakPolarHBondContact O-CB 3.43Å; P93-W96 PolarHBondContact O-N 3.06Å; P93-W96 VanDerWaalsContact O-N 3.12Å; E94-W96 VanDerWaalsContact C-N 3.3Å; E94-W96 PolarHBondContact O-N 2.85Å | ||
| 97 | V | 96.5 | Very high | 94.3 | Very high | 49 Ų | 49 | 64.9 Ų | 64.9 | 30% | 0.297 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 138.8 | 178.3 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | V17 G18 E20 L81 | V17-V97 WeakPolarHBondContact CA-O 3.27Å; G18-V97 PolarHBondContact N-O 2.79Å; G18-V97 PolarHBondContact O-N 3.14Å; E20-V97 HydrophobicContact CB-CB 3.92Å; E20-V97 HydrophobicContact CB-CG1 4.31Å; E20-V97 HydrophobicContact CB-CG2 3.68Å; L81-V97 HydrophobicContact CD1-CB 3.95Å; L81-V97 HydrophobicContact CD1-CG1 4.35Å |
| 98 | R | 96.3 | Very high | 94.3 | Very high | 86 Ų | 86 | 62.6 Ų | 62.6 | 33% | 0.325 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 123.8 | 172.6 | 179 | -179.9 | 163.2 | -175.7 | -6.7 | 109.5 | V16 V17 E88 A90 A92 | V16-R98 CarbonylContact O-C 3.42Å; V16-R98 VanDerWaalsContact O-CA 3.3Å; V16-R98 WeakPolarHBondContact O-CA 3.44Å; V17-R98 HydrophobicContact CG2-CB 3.97Å; V17-R98 HydrophobicContact CG2-CG 4.08Å; E88-R98 VanDerWaalsContact O-CZ 3.3Å; E88-R98 PolarHBondContact O-NH1 3.37Å; E88-R98 PolarHBondContact O-NH2 2.85Å; A90-R98 PolarHBondContact O-NH1 3.41Å; A92-R98 HydrophobicContact CB-CB 4.09Å |
| 99 | W | 97.2 | Very high | 94.3 | Very high | 5 Ų | 5 | 57.3 Ų | 57.3 | 2% | 0.019 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 140.5 | 167.2 | -73.2 | 13.7 | 0 | 0 | 0 | 110.4 | F15 V16 E20 L63 W70 R79 L81 I101 | F15-W99 WeakPolarHBondContact CA-O 3.41Å; V16-W99 PolarHBondContact N-O 3.13Å; V16-W99 PolarHBondContact O-N 2.92Å; E20-W99 HydrophobicContact CG-CZ2 4.32Å; E20-W99 VanDerWaalsContact OE2-CE2 3.31Å; E20-W99 WeakPolarHBondContact OE2-CZ2 3.19Å; E20-W99 PolarHBondContact OE2-NE1 3.45Å; L63-W99 HydrophobicContact CB-CE3 3.53Å; L63-W99 HydrophobicContact CB-CZ3 3.63Å; L63-W99 HydrophobicContact CD1-CB 4.1Å; L63-W99 HydrophobicContact CD1-CE3 3.95Å; L63-W99 HydrophobicContact CG-CE3 4.41Å; W70-W99 HydrophobicContact CH2-CB 4.05Å; W70-W99 AromaticContact CH2-CD1 3.83Å; W70-W99 AromaticContact CH2-CD2 3.35Å; W70-W99 HydrophobicContact CH2-CD2 3.35Å; W70-W99 AromaticContact CH2-CE2 3.68Å; W70-W99 AromaticContact CH2-CE3 3.69Å; W70-W99 HydrophobicContact CH2-CE3 3.69Å; W70-W99 AromaticContact CH2-CG 3.51Å; W70-W99 HydrophobicContact CH2-CG 3.51Å; W70-W99 HydrophobicContact CH2-CZ2 4.32Å; W70-W99 HydrophobicContact CH2-CZ3 4.31Å; W70-W99 AromaticContact CH2-NE1 3.95Å; W70-W99 HydrophobicContact CZ2-CB 4.37Å; W70-W99 HydrophobicContact CZ2-CD2 4.27Å; W70-W99 HydrophobicContact CZ2-CE3 4.33Å; W70-W99 HydrophobicContact CZ2-CG 4.29Å; W70-W99 AromaticContact CZ3-CD2 3.94Å; W70-W99 HydrophobicContact CZ3-CD2 3.94Å; W70-W99 AromaticContact CZ3-CE2 3.81Å; W70-W99 HydrophobicContact CZ3-CE3 4.2Å; W70-W99 HydrophobicContact CZ3-CG 4.41Å; W70-W99 HydrophobicContact CZ3-CH2 4.34Å; W70-W99 HydrophobicContact CZ3-CZ2 4.05Å; W70-W99 HydrophobicContact CZ3-CZ3 4.4Å; R79-W99 HydrophobicContact CB-CH2 4.1Å; R79-W99 HydrophobicContact CB-CZ2 4.19Å; L81-W99 HydrophobicContact CB-CD2 3.89Å; L81-W99 HydrophobicContact CB-CE3 4.12Å; L81-W99 HydrophobicContact CB-CG 4.42Å; L81-W99 HydrophobicContact CB-CH2 4.32Å; L81-W99 HydrophobicContact CB-CZ2 4.13Å; L81-W99 HydrophobicContact CB-CZ3 4.33Å; L81-W99 HydrophobicContact CD2-CB 3.83Å; L81-W99 HydrophobicContact CD2-CD2 3.99Å; L81-W99 HydrophobicContact CD2-CG 3.65Å; L81-W99 HydrophobicContact CG-CD2 4.44Å; L81-W99 HydrophobicContact CG-CG 4.46Å; W99-I101 HydrophobicContact CB-CD1 4.42Å; W99-I101 HydrophobicContact CE3-CD1 4.24Å |
| 100 | E | 96.3 | Very high | 94.3 | Very high | 111 Ų | 111 | 54.4 Ų | 54.4 | 52% | 0.519 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 112.6 | 168.3 | 177.3 | 175 | 161.4 | 0 | 0 | 107.9 | T13 F15 | T13-E100 HydrophobicContact CG2-CG 3.6Å; F15-E100 HydrophobicContact CD1-CB 3.95Å; F15-E100 HydrophobicContact CD1-CG 3.92Å; F15-E100 HydrophobicContact CE1-CB 3.93Å; F15-E100 HydrophobicContact CE1-CG 3.47Å; F15-E100 VanDerWaalsContact CE1-CG 3.47Å; F15-E100 HydrophobicContact CZ-CG 4.25Å |
| 101 | I | 95.9 | Very high | 94.2 | Very high | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 120.2 | 176.4 | -56.5 | -51.1 | 0 | 0 | 0 | 107.8 | T13 I14 L63 W70 L71 W99 Y106 | T13-I101 VanDerWaalsContact CA-O 3.25Å; T13-I101 WeakPolarHBondContact CA-O 3.35Å; T13-I101 WeakPolarHBondContact CG2-O 3.25Å; I14-I101 HydrophobicContact CD1-CB 4.36Å; I14-I101 HydrophobicContact CD1-CG1 4.47Å; I14-I101 HydrophobicContact CG1-CB 3.67Å; I14-I101 HydrophobicContact CG1-CG1 4.12Å; I14-I101 HydrophobicContact CG1-CG2 4.28Å; I14-I101 PolarHBondContact N-O 3.12Å; I14-I101 VanDerWaalsContact N-O 3.07Å; I14-I101 PolarHBondContact O-N 3.38Å; L63-I101 HydrophobicContact CD1-CD1 3.81Å; L63-I101 HydrophobicContact CD1-CG1 3.6Å; L63-I101 HydrophobicContact CD2-CD1 4.47Å; L63-I101 HydrophobicContact CD2-CG1 4.09Å; L63-I101 HydrophobicContact CG-CG1 4.46Å; W70-I101 HydrophobicContact CZ2-CD1 4.35Å; L71-I101 HydrophobicContact CD1-CD1 4.1Å; L71-I101 HydrophobicContact CD2-CD1 3.51Å; L71-I101 HydrophobicContact CG-CD1 4.42Å; W99-I101 HydrophobicContact CB-CD1 4.42Å; W99-I101 HydrophobicContact CE3-CD1 4.24Å; I101-Y106 WeakPolarHBondContact CG2-OH 3.49Å |
| 102 | P | 94.9 | Very high | 94 | Very high | 51 Ų | 51 | 49.2 Ų | 49.2 | 33% | 0.331 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -67.3 | 161.9 | -178.1 | 29.9 | -35.3 | 0 | 0 | 0 | 111.4 | L71 M104 | L71-P102 HydrophobicContact CD1-CG 4.06Å; P102-M104 HydrophobicContact CG-CE 4.47Å; P102-M104 PolarHBondContact O-N 3.49Å |
| 103 | P | 95.2 | Very high | 93.4 | Very high | 85 Ų | 85 | 49.7 Ų | 49.7 | 55% | 0.552 | 28% | 0.282 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 128.3 | 177.9 | -18.5 | 30.6 | 0 | 0 | 0 | 110.8 | L11 T13 | L11-P103 WeakPolarHBondContact O-CA 3.34Å; T13-P103 VanDerWaalsContact OG1-CD 3.27Å; T13-P103 WeakPolarHBondContact OG1-CD 3.27Å; T13-P103 WeakPolarHBondContact OG1-CG 3.28Å |
| 104 | M | 94.3 | Very high | 93 | Very high | 49 Ų | 49 | 56.9 Ų | 56.9 | 24% | 0.241 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.3 | 154.7 | -177.2 | -162.1 | 172.1 | -58.2 | 0 | 0 | 111.7 | L11 P102 Y106 A136 P157 | L11-M104 PolarHBondContact N-O 2.91Å; L11-M104 PolarHBondContact O-N 3.41Å; L11-M104 VanDerWaalsContact O-N 3.17Å; P102-M104 HydrophobicContact CG-CE 4.47Å; P102-M104 PolarHBondContact O-N 3.49Å; M104-Y106 HydrophobicContact CB-CD2 4.48Å; M104-Y106 HydrophobicContact CB-CE2 3.65Å; M104-Y106 HydrophobicContact CG-CE2 4.4Å; M104-Y106 VanDerWaalsContact O-CD2 3.27Å; M104-Y106 WeakPolarHBondContact O-CD2 3.48Å; M104-Y106 VanDerWaalsContact O-CE2 3.26Å; M104-Y106 WeakPolarHBondContact O-CE2 3.37Å; M104-A136 HydrophobicContact SD-CB 4.43Å; M104-P157 HydrophobicContact CG-CB 4.25Å; M104-P157 HydrophobicContact SD-CB 3.21Å; M104-P157 WeakPolarHBondContact SD-CB 3.49Å; M104-P157 HydrophobicContact SD-CG 4.43Å |
| 105 | S | 95 | Very high | 92.7 | Very high | 29 Ų | 29 | 53 Ų | 53 | 20% | 0.203 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 132.4 | 173.3 | -54.9 | 0 | 0 | 0 | 0 | 110.2 | D10 F158 | D10-S105 VanDerWaalsContact OD1-CB 3.24Å; D10-S105 WeakPolarHBondContact OD1-CB 3.25Å; D10-S105 PolarHBondContact OD1-OG 2.96Å; S105-F158 WeakPolarHBondContact O-CD1 3.45Å; S105-F158 PolarHBondContact O-N 3.28Å |
| 106 | Y | 95.5 | Very high | 92.5 | Very high | 3 Ų | 3 | 51.9 Ų | 51.9 | 1% | 0.012 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 142.9 | -178.8 | -59.7 | -92.6 | 0 | 0 | 0 | 110.6 | R8 V9 L11 I101 M104 Y155 F156 P157 F158 | R8-Y106 WeakPolarHBondContact CA-O 3.42Å; V9-Y106 PolarHBondContact N-O 2.9Å; V9-Y106 PolarHBondContact O-N 2.82Å; L11-Y106 HydrophobicContact CB-CD2 4.26Å; L11-Y106 HydrophobicContact CB-CE2 4.01Å; L11-Y106 HydrophobicContact CD1-CD2 3.96Å; L11-Y106 HydrophobicContact CD1-CE2 3.87Å; L11-Y106 HydrophobicContact CG-CD2 4.05Å; L11-Y106 HydrophobicContact CG-CE2 4.17Å; I101-Y106 WeakPolarHBondContact CG2-OH 3.49Å; M104-Y106 HydrophobicContact CB-CD2 4.48Å; M104-Y106 HydrophobicContact CB-CE2 3.65Å; M104-Y106 HydrophobicContact CG-CE2 4.4Å; M104-Y106 VanDerWaalsContact O-CD2 3.27Å; M104-Y106 WeakPolarHBondContact O-CD2 3.48Å; M104-Y106 VanDerWaalsContact O-CE2 3.26Å; M104-Y106 WeakPolarHBondContact O-CE2 3.37Å; Y106-Y155 HydrophobicContact CD1-CD1 4.26Å; Y106-Y155 HydrophobicContact CD2-CD1 4.36Å; Y106-Y155 AromaticContact CG-CD1 3.91Å; Y106-Y155 HydrophobicContact CG-CD1 3.91Å; Y106-F156 VanDerWaalsContact CA-O 3.3Å; Y106-F156 WeakPolarHBondContact CA-O 3.49Å; Y106-P157 HydrophobicContact CD1-CB 3.94Å; Y106-P157 HydrophobicContact CE1-CB 3.7Å; Y106-P157 HydrophobicContact CE1-CG 4.29Å; Y106-F158 VanDerWaalsContact C-CE1 3.42Å |
| 107 | L | 94.9 | Very high | 92.1 | Very high | 14 Ų | 14 | 58.2 Ų | 58.2 | 7% | 0.073 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 130.7 | 155.9 | -69 | -175.4 | 0 | 0 | 0 | 107.5 | I6 D7 R8 M123 I127 F128 L133 F156 F158 | I6-L107 HydrophobicContact CG2-CB 4.33Å; I6-L107 HydrophobicContact CG2-CD2 4.35Å; D7-L107 CarbonylContact O-C 3.55Å; D7-L107 WeakPolarHBondContact O-CA 3.31Å; R8-L107 HydrophobicContact CB-CD2 4.06Å; R8-L107 HydrophobicContact CG-CD2 4.48Å; L107-M123 HydrophobicContact CB-CE 3.59Å; L107-M123 HydrophobicContact CD1-CE 4Å; L107-M123 HydrophobicContact CG-CE 4.47Å; L107-I127 HydrophobicContact CD1-CG2 4.06Å; L107-F128 HydrophobicContact CB-CE2 4.49Å; L107-F128 HydrophobicContact CD1-CD2 4.25Å; L107-F128 HydrophobicContact CD1-CE2 3.91Å; L107-F128 HydrophobicContact CD1-CZ 4.43Å; L107-L133 HydrophobicContact CD1-CD1 3.65Å; L107-L133 HydrophobicContact CG-CD1 4.18Å; L107-F156 HydrophobicContact CB-CB 4.44Å; L107-F156 PolarHBondContact N-O 3.3Å; L107-F156 WeakPolarHBondContact O-CB 3.37Å; L107-F156 WeakPolarHBondContact O-CD2 3.33Å; L107-F156 PolarHBondContact O-N 3.17Å; L107-F158 HydrophobicContact CB-CD1 4.45Å; L107-F158 HydrophobicContact CD2-CD1 4.37Å; L107-F158 HydrophobicContact CD2-CE1 4.04Å; L107-F158 HydrophobicContact CG-CD1 3.79Å; L107-F158 HydrophobicContact CG-CE1 3.98Å |
| 108 | T | 94.2 | Very high | 91.8 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.012 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 145.1 | 179.9 | 66.3 | 0 | 0 | 0 | 0 | 110.6 | I6 D7 V9 L154 Y155 | I6-T108 VanDerWaalsContact CA-O 3.25Å; I6-T108 WeakPolarHBondContact CA-O 3.43Å; D7-T108 WeakPolarHBondContact CB-OG1 3.04Å; D7-T108 PolarHBondContact N-O 3.25Å; D7-T108 VanDerWaalsContact N-O 3.08Å; D7-T108 PolarHBondContact O-N 3.01Å; V9-T108 HydrophobicContact CB-CG2 4.21Å; V9-T108 HydrophobicContact CG2-CG2 3.72Å; T108-L154 WeakPolarHBondContact CA-O 3.31Å; T108-Y155 HydrophobicContact CG2-CD1 3.52Å; T108-Y155 HydrophobicContact CG2-CD2 3.93Å; T108-Y155 HydrophobicContact CG2-CE1 3.42Å; T108-Y155 VanDerWaalsContact CG2-CE1 3.42Å; T108-Y155 HydrophobicContact CG2-CE2 3.83Å; T108-Y155 HydrophobicContact CG2-CG 3.78Å |
| 109 | V | 92.6 | Very high | 91.5 | Very high | 21 Ų | 21 | 58.6 Ų | 58.6 | 13% | 0.127 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 135.6 | 170.7 | 56.8 | 0 | 0 | 0 | 0 | 109.5 | I6 M123 L154 F156 | I6-V109 HydrophobicContact CG1-CB 4.39Å; I6-V109 HydrophobicContact CG1-CG2 4.49Å; V109-M123 HydrophobicContact CB-SD 4.17Å; V109-M123 HydrophobicContact CG1-CE 4.49Å; V109-M123 HydrophobicContact CG1-CG 3.69Å; V109-M123 HydrophobicContact CG1-SD 3.95Å; V109-L154 HydrophobicContact CG1-CB 4.2Å; V109-L154 PolarHBondContact N-O 3.07Å; V109-L154 PolarHBondContact O-N 2.99Å; V109-F156 HydrophobicContact CG1-CD2 4.35Å; V109-F156 HydrophobicContact CG1-CE2 3.61Å; V109-F156 HydrophobicContact CG1-CZ 4.43Å |
| 110 | K | 90.7 | Very high | 91.2 | Very high | 125 Ų | 125 | 59.5 Ų | 59.5 | 54% | 0.543 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 132.7 | 172.5 | -65.7 | -169.7 | 175.5 | -167.1 | 0 | 110.4 | V152 E153 | K110-V152 WeakPolarHBondContact CA-O 3.42Å; K110-E153 WeakPolarHBondContact CE-OE1 3.25Å; K110-E153 HydrophobicContact CG-CB 4.26Å; K110-E153 HydrophobicContact CG-CG 4.05Å; K110-E153 WeakPolarHBondContact CG-OE1 3.21Å |
| 111 | A | 88.5 | Confident | 91 | Very high | 17 Ų | 17 | 58.9 Ų | 58.9 | 14% | 0.14 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 166.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | A119 V152 | A111-A119 HydrophobicContact CB-CB 3.76Å; A111-V152 HydrophobicContact CB-CG1 4.39Å; A111-V152 PolarHBondContact N-O 3.27Å; A111-V152 PolarHBondContact O-N 2.96Å |
| 112 | S | 86.9 | Confident | 90.8 | Very high | 40 Ų | 40 | 62.6 Ų | 62.6 | 28% | 0.28 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 150.5 | 161.5 | 58.7 | 0 | 0 | 0 | 0 | 109.5 | E114 K115 I116 G150 | S112-E114 PolarHBondContact O-N 3.2Å; S112-K115 CarbonylContact O-C 3.6Å; S112-K115 WeakPolarHBondContact O-CA 3.34Å; S112-K115 PolarHBondContact O-N 3.21Å; S112-K115 WeakPolarHBondContact OG-CB 3.46Å; S112-K115 VanDerWaalsContact OG-CG 3.3Å; S112-K115 WeakPolarHBondContact OG-CG 3.3Å; S112-I116 PolarHBondContact O-N 3.46Å; S112-G150 CarbonylContact C-O 3.35Å; S112-G150 WeakPolarHBondContact CA-O 3.16Å |
| 113 | A | 81.9 | Confident | 90.7 | Very high | 47 Ų | 47 | 60.2 Ų | 60.2 | 39% | 0.388 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -55.6 | -37.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | K115 I116 G150 | A113-K115 PolarHBondContact O-N 3.41Å; A113-I116 HydrophobicContact CB-CD1 4.46Å; A113-I116 WeakPolarHBondContact O-CG1 3.48Å; A113-G150 PolarHBondContact N-O 2.8Å |
| 114 | E | 84.1 | Confident | 90.6 | Very high | 188 Ų | 188 | 59.1 Ų | 59.1 | 88% | 0.879 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -66.2 | -15.4 | 174.5 | -58.8 | -176 | 129.5 | 0 | 0 | 114.1 | S112 | S112-E114 PolarHBondContact O-N 3.2Š|
| 115 | K | 87.1 | Confident | 90.4 | Very high | 110 Ų | 110 | 59.2 Ų | 59.2 | 48% | 0.478 | 32% | 0.319 | S | S | . | . | G | 310 helix | trans | -121.3 | 17 | -174.7 | -63.2 | -173.8 | 179.4 | -168.9 | 0 | 113.4 | S112 A113 E117 E118 A119 | S112-K115 CarbonylContact O-C 3.6Å; S112-K115 WeakPolarHBondContact O-CA 3.34Å; S112-K115 PolarHBondContact O-N 3.21Å; S112-K115 WeakPolarHBondContact OG-CB 3.46Å; S112-K115 VanDerWaalsContact OG-CG 3.3Å; S112-K115 WeakPolarHBondContact OG-CG 3.3Å; A113-K115 PolarHBondContact O-N 3.41Å; K115-E117 VanDerWaalsContact C-N 3.27Å; K115-E117 PolarHBondContact O-N 3.08Å; K115-E118 HydrophobicContact CB-CB 4.46Å; K115-E118 PolarHBondContact O-N 3.24Å; K115-A119 WeakPolarHBondContact O-CB 3.36Å; K115-A119 PolarHBondContact O-N 3.24Å |
| 116 | I | 88.3 | Confident | 90.3 | Very high | 39 Ų | 39 | 63.2 Ų | 63.2 | 20% | 0.2 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -56.1 | -43.9 | 177.2 | -71.1 | 170.7 | 0 | 0 | 0 | 110.8 | S112 A113 A119 T120 V152 L154 | S112-I116 PolarHBondContact O-N 3.46Å; A113-I116 HydrophobicContact CB-CD1 4.46Å; A113-I116 WeakPolarHBondContact O-CG1 3.48Å; I116-A119 PolarHBondContact O-N 3.39Å; I116-T120 VanDerWaalsContact O-CB 3.28Å; I116-T120 WeakPolarHBondContact O-CB 3.19Å; I116-T120 PolarHBondContact O-N 3.04Å; I116-T120 PolarHBondContact O-OG1 3.01Å; I116-V152 HydrophobicContact CD1-CG1 3.98Å; I116-V152 HydrophobicContact CG1-CG1 3.75Å; I116-L154 HydrophobicContact CG1-CD2 4.35Å; I116-L154 HydrophobicContact CG2-CD1 4.06Å; I116-L154 HydrophobicContact CG2-CD2 4.09Å |
| 117 | E | 88.1 | Confident | 90.1 | Very high | 150 Ų | 150 | 63.3 Ų | 63.3 | 70% | 0.701 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.5 | -45 | 180 | -170.3 | -174.6 | 170.3 | 0 | 0 | 111.9 | K115 A119 T120 N121 | K115-E117 VanDerWaalsContact C-N 3.27Å; K115-E117 PolarHBondContact O-N 3.08Å; E117-A119 PolarHBondContact O-N 2.57Å; E117-T120 PolarHBondContact O-N 2.84Å; E117-N121 WeakPolarHBondContact O-CB 3.33Å; E117-N121 PolarHBondContact O-N 2.79Å; E117-N121 PolarHBondContact O-ND2 2.84Å |
| 118 | E | 89.5 | Confident | 90 | Very high | 129 Ų | 129 | 63 Ų | 63 | 60% | 0.603 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.9 | -46.3 | 177.2 | -171.5 | -176.7 | 169.5 | 0 | 0 | 111.1 | K115 T120 N121 L122 | K115-E118 HydrophobicContact CB-CB 4.46Å; K115-E118 PolarHBondContact O-N 3.24Å; E118-T120 PolarHBondContact O-N 2.87Å; E118-N121 PolarHBondContact O-N 2.91Å; E118-L122 WeakPolarHBondContact O-CB 3.34Å; E118-L122 PolarHBondContact O-N 2.79Å |
| 119 | A | 90.1 | Very high | 89.8 | Confident | 14 Ų | 14 | 66.1 Ų | 66.1 | 12% | 0.116 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.9 | -41.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | A111 K115 I116 E117 L122 M123 L154 | A111-A119 HydrophobicContact CB-CB 3.76Å; K115-A119 WeakPolarHBondContact O-CB 3.36Å; K115-A119 PolarHBondContact O-N 3.24Å; I116-A119 PolarHBondContact O-N 3.39Å; E117-A119 PolarHBondContact O-N 2.57Å; A119-L122 PolarHBondContact O-N 2.95Å; A119-M123 WeakPolarHBondContact O-CB 3.33Å; A119-M123 VanDerWaalsContact O-CG 3.25Å; A119-M123 WeakPolarHBondContact O-CG 3.24Å; A119-M123 PolarHBondContact O-N 3.24Å; A119-L154 HydrophobicContact CB-CD1 4.04Å |
| 120 | T | 91.4 | Very high | 89.7 | Confident | 24 Ų | 24 | 70.3 Ų | 70.3 | 15% | 0.147 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 176.8 | -64.3 | 0 | 0 | 0 | 0 | 111.7 | I116 E117 E118 L122 M123 L124 I139 F156 | I116-T120 VanDerWaalsContact O-CB 3.28Å; I116-T120 WeakPolarHBondContact O-CB 3.19Å; I116-T120 PolarHBondContact O-N 3.04Å; I116-T120 PolarHBondContact O-OG1 3.01Å; E117-T120 PolarHBondContact O-N 2.84Å; E118-T120 PolarHBondContact O-N 2.87Å; T120-L122 PolarHBondContact O-N 3.47Å; T120-M123 PolarHBondContact O-N 2.94Å; T120-L124 HydrophobicContact CG2-CD1 3.84Å; T120-L124 HydrophobicContact CG2-CG 4.37Å; T120-L124 WeakPolarHBondContact O-CB 3.43Å; T120-L124 WeakPolarHBondContact O-CG 3.35Å; T120-L124 PolarHBondContact O-N 3.41Å; T120-I139 HydrophobicContact CG2-CD1 3.65Å; T120-F156 HydrophobicContact CG2-CE1 4.12Å |
| 121 | N | 92.5 | Very high | 89.5 | Confident | 97 Ų | 97 | 69.2 Ų | 69.2 | 52% | 0.519 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 178.1 | -75.3 | -30 | 0 | 0 | 0 | 112 | E117 E118 G125 | E117-N121 WeakPolarHBondContact O-CB 3.33Å; E117-N121 PolarHBondContact O-N 2.79Å; E117-N121 PolarHBondContact O-ND2 2.84Å; E118-N121 PolarHBondContact O-N 2.91Å; N121-G125 WeakPolarHBondContact O-CA 3.44Å; N121-G125 PolarHBondContact O-N 3.03Å |
| 122 | L | 91.3 | Very high | 89.6 | Confident | 80 Ų | 80 | 72.5 Ų | 72.5 | 42% | 0.419 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 174.6 | -176.5 | 72.3 | 0 | 0 | 0 | 111.3 | E118 A119 T120 E126 I127 | E118-L122 WeakPolarHBondContact O-CB 3.34Å; E118-L122 PolarHBondContact O-N 2.79Å; A119-L122 PolarHBondContact O-N 2.95Å; T120-L122 PolarHBondContact O-N 3.47Å; L122-E126 HydrophobicContact CD1-CB 4.49Å; L122-E126 HydrophobicContact CD1-CG 4.21Å; L122-E126 WeakPolarHBondContact O-CB 3.41Å; L122-E126 PolarHBondContact O-N 3.12Å; L122-I127 PolarHBondContact O-N 2.84Å |
| 123 | M | 92.8 | Very high | 89.9 | Confident | 1 Ų | 1 | 71.4 Ų | 71.4 | 1% | 0.005 | 38% | 0.376 | C | S | . | . | I | π-helix | trans | -59.5 | -52.5 | 179.5 | -74.2 | -64.2 | -69.6 | 0 | 0 | 111.7 | I6 L107 V109 A119 T120 I127 F128 F156 | I6-M123 HydrophobicContact CD1-CE 4.41Å; I6-M123 HydrophobicContact CD1-SD 3.49Å; I6-M123 WeakPolarHBondContact CD1-SD 3.3Å; I6-M123 HydrophobicContact CG1-SD 3.89Å; I6-M123 HydrophobicContact CG2-CE 4.01Å; I6-M123 HydrophobicContact CG2-SD 4.36Å; L107-M123 HydrophobicContact CB-CE 3.59Å; L107-M123 HydrophobicContact CD1-CE 4Å; L107-M123 HydrophobicContact CG-CE 4.47Å; V109-M123 HydrophobicContact CB-SD 4.17Å; V109-M123 HydrophobicContact CG1-CE 4.49Å; V109-M123 HydrophobicContact CG1-CG 3.69Å; V109-M123 HydrophobicContact CG1-SD 3.95Å; A119-M123 WeakPolarHBondContact O-CB 3.33Å; A119-M123 VanDerWaalsContact O-CG 3.25Å; A119-M123 WeakPolarHBondContact O-CG 3.24Å; A119-M123 PolarHBondContact O-N 3.24Å; T120-M123 PolarHBondContact O-N 2.94Å; M123-I127 HydrophobicContact CE-CG2 4.33Å; M123-I127 WeakPolarHBondContact O-CB 3.39Å; M123-I127 PolarHBondContact O-N 3.08Å; M123-I127 HydrophobicContact SD-CB 4.13Å; M123-I127 HydrophobicContact SD-CG1 3.72Å; M123-I127 HydrophobicContact SD-CG2 4.31Å; M123-F128 HydrophobicContact CE-CE2 4.16Å; M123-F128 WeakPolarHBondContact O-CD2 3.26Å; M123-F128 PolarHBondContact O-N 2.77Å; M123-F156 HydrophobicContact CB-CD1 4.14Å; M123-F156 HydrophobicContact CB-CE1 3.72Å; M123-F156 HydrophobicContact CB-CE2 4.18Å; M123-F156 HydrophobicContact CB-CZ 3.78Å; M123-F156 HydrophobicContact CE-CD2 3.98Å; M123-F156 HydrophobicContact CE-CE2 4.38Å; M123-F156 HydrophobicContact CE-CG 4.3Å; M123-F156 HydrophobicContact CG-CD2 4.24Å; M123-F156 HydrophobicContact CG-CE1 4.21Å; M123-F156 HydrophobicContact CG-CE2 3.75Å; M123-F156 HydrophobicContact CG-CZ 3.75Å |
| 124 | L | 92 | Very high | 90.4 | Very high | 62 Ų | 62 | 74.6 Ų | 74.6 | 33% | 0.325 | 38% | 0.381 | S | S | . | . | I | π-helix | trans | -75.3 | -31.8 | -175.7 | -61.4 | -178.5 | 0 | 0 | 0 | 113.1 | T120 F128 P129 L135 I139 F156 | T120-L124 HydrophobicContact CG2-CD1 3.84Å; T120-L124 HydrophobicContact CG2-CG 4.37Å; T120-L124 WeakPolarHBondContact O-CB 3.43Å; T120-L124 WeakPolarHBondContact O-CG 3.35Å; T120-L124 PolarHBondContact O-N 3.41Å; L124-F128 HydrophobicContact CD2-CD2 4.21Å; L124-F128 HydrophobicContact CD2-CE2 4.32Å; L124-F128 HydrophobicContact CD2-CG 4.34Å; L124-P129 VanDerWaalsContact O-CD 3.25Å; L124-P129 WeakPolarHBondContact O-CD 3.37Å; L124-L135 HydrophobicContact CD1-CD2 4.4Å; L124-L135 HydrophobicContact CD2-CB 4.37Å; L124-L135 HydrophobicContact CD2-CD1 3.96Å; L124-L135 HydrophobicContact CD2-CD2 3.94Å; L124-L135 HydrophobicContact CD2-CG 4.34Å; L124-I139 HydrophobicContact CD1-CD1 4.48Å; L124-F156 HydrophobicContact CD2-CD1 4.07Å; L124-F156 HydrophobicContact CD2-CE1 4.37Å; L124-F156 HydrophobicContact CG-CE1 4.33Å |
| 125 | G | 91.7 | Very high | 90.8 | Very high | 52 Ų | 52 | 67.4 Ų | 67.4 | 54% | 0.536 | 35% | 0.349 | S | S | . | . | I | π-helix | trans | -84.3 | -33.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N121 P129 | N121-G125 WeakPolarHBondContact O-CA 3.44Å; N121-G125 PolarHBondContact O-N 3.03Å; G125-P129 WeakPolarHBondContact O-CG 3.45Å |
| 126 | E | 91.4 | Very high | 91.1 | Very high | 112 Ų | 112 | 63.3 Ų | 63.3 | 52% | 0.523 | 34% | 0.336 | S | S | . | . | I | π-helix | trans | -116.3 | -54.7 | -175.7 | -60.4 | -171 | -167.7 | 0 | 0 | 112.1 | L122 P129 M130 | L122-E126 HydrophobicContact CD1-CB 4.49Å; L122-E126 HydrophobicContact CD1-CG 4.21Å; L122-E126 WeakPolarHBondContact O-CB 3.41Å; L122-E126 PolarHBondContact O-N 3.12Å; E126-P129 WeakPolarHBondContact O-CD 3.46Å; E126-M130 VanDerWaalsContact O-CB 3.26Å; E126-M130 WeakPolarHBondContact O-CB 3.4Å; E126-M130 WeakPolarHBondContact O-CG 3.46Å; E126-M130 PolarHBondContact O-N 3.44Å |
| 127 | I | 91.4 | Very high | 91.4 | Very high | 5 Ų | 5 | 61.8 Ų | 61.8 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | I | π-helix | trans | -69.6 | -51.7 | -168.6 | -46.2 | -61.5 | 0 | 0 | 0 | 111.7 | I3 I6 L107 L122 M123 M130 E131 | I3-I127 HydrophobicContact CB-CD1 4.4Å; I3-I127 HydrophobicContact CD1-CD1 3.14Å; I3-I127 HydrophobicContact CG1-CD1 4.29Å; I3-I127 HydrophobicContact CG2-CD1 4.1Å; I6-I127 HydrophobicContact CD1-CB 4.28Å; I6-I127 HydrophobicContact CD1-CD1 3.44Å; I6-I127 VanDerWaalsContact CD1-CD1 3.44Å; I6-I127 HydrophobicContact CD1-CG1 3.54Å; I6-I127 HydrophobicContact CD1-CG2 3.83Å; L107-I127 HydrophobicContact CD1-CG2 4.06Å; L122-I127 PolarHBondContact O-N 2.84Å; M123-I127 HydrophobicContact CE-CG2 4.33Å; M123-I127 WeakPolarHBondContact O-CB 3.39Å; M123-I127 PolarHBondContact O-N 3.08Å; M123-I127 HydrophobicContact SD-CB 4.13Å; M123-I127 HydrophobicContact SD-CG1 3.72Å; M123-I127 HydrophobicContact SD-CG2 4.31Å; I127-M130 PolarHBondContact O-N 2.82Å; I127-E131 HydrophobicContact CG2-CG 4.42Å; I127-E131 WeakPolarHBondContact O-CB 3.49Å; I127-E131 PolarHBondContact O-N 3.18Å |
| 128 | F | 92.6 | Very high | 91.7 | Very high | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.031 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.6 | -45.7 | -179.8 | -91.4 | -111.5 | 0 | 0 | 0 | 112.3 | L107 M123 L124 N132 L133 L135 F156 F158 | L107-F128 HydrophobicContact CB-CE2 4.49Å; L107-F128 HydrophobicContact CD1-CD2 4.25Å; L107-F128 HydrophobicContact CD1-CE2 3.91Å; L107-F128 HydrophobicContact CD1-CZ 4.43Å; M123-F128 HydrophobicContact CE-CE2 4.16Å; M123-F128 WeakPolarHBondContact O-CD2 3.26Å; M123-F128 PolarHBondContact O-N 2.77Å; L124-F128 HydrophobicContact CD2-CD2 4.21Å; L124-F128 HydrophobicContact CD2-CE2 4.32Å; L124-F128 HydrophobicContact CD2-CG 4.34Å; F128-N132 PolarHBondContact O-N 2.69Å; F128-N132 VanDerWaalsContact O-N 3.15Å; F128-L133 HydrophobicContact CD1-CB 3.81Å; F128-L133 HydrophobicContact CE1-CB 4.23Å; F128-L133 HydrophobicContact CG-CB 4.33Å; F128-L133 PolarHBondContact O-N 3.45Å; F128-L135 HydrophobicContact CE1-CB 4.17Å; F128-L135 HydrophobicContact CE1-CD1 3.98Å; F128-L135 HydrophobicContact CZ-CD1 3.85Å; F128-F156 HydrophobicContact CE2-CB 3.71Å; F128-F156 HydrophobicContact CE2-CD1 4.2Å; F128-F156 HydrophobicContact CE2-CG 4.15Å; F128-F156 HydrophobicContact CZ-CB 3.61Å; F128-F156 HydrophobicContact CZ-CG 4.45Å; F128-F158 HydrophobicContact CE1-CB 3.62Å; F128-F158 HydrophobicContact CZ-CB 3.86Å |
| 129 | P | 90.9 | Very high | 91.9 | Very high | 69 Ų | 69 | 49.6 Ų | 49.6 | 45% | 0.448 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 172.1 | -29.1 | 38.2 | 0 | 0 | 0 | 113.5 | L124 G125 E126 E131 N132 | L124-P129 VanDerWaalsContact O-CD 3.25Å; L124-P129 WeakPolarHBondContact O-CD 3.37Å; G125-P129 WeakPolarHBondContact O-CG 3.45Å; E126-P129 WeakPolarHBondContact O-CD 3.46Å; P129-E131 PolarHBondContact O-N 2.9Å; P129-N132 PolarHBondContact O-N 2.94Å; P129-N132 VanDerWaalsContact O-N 3.14Å |
| 130 | M | 89.5 | Confident | 92.2 | Very high | 108 Ų | 108 | 49.1 Ų | 49.1 | 53% | 0.532 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -42 | 179.7 | -78.8 | 178.9 | 61.3 | 0 | 0 | 112.7 | I3 E126 I127 N132 | I3-M130 HydrophobicContact CD1-CE 4.13Å; I3-M130 HydrophobicContact CD1-SD 4.38Å; E126-M130 VanDerWaalsContact O-CB 3.26Å; E126-M130 WeakPolarHBondContact O-CB 3.4Å; E126-M130 WeakPolarHBondContact O-CG 3.46Å; E126-M130 PolarHBondContact O-N 3.44Å; I127-M130 PolarHBondContact O-N 2.82Å; M130-N132 VanDerWaalsContact C-N 3.26Å; M130-N132 PolarHBondContact O-N 3.27Å |
| 131 | E | 88.2 | Confident | 92.3 | Very high | 103 Ų | 103 | 48.9 Ų | 48.9 | 48% | 0.481 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 3 | 179.5 | -65.5 | -66.5 | 141.2 | 0 | 0 | 112.9 | I127 P129 L133 | I127-E131 HydrophobicContact CG2-CG 4.42Å; I127-E131 WeakPolarHBondContact O-CB 3.49Å; I127-E131 PolarHBondContact O-N 3.18Å; P129-E131 PolarHBondContact O-N 2.9Å; E131-L133 VanDerWaalsContact C-N 3.27Å; E131-L133 HydrophobicContact CB-CD1 3.77Å; E131-L133 HydrophobicContact CB-CG 3.74Å; E131-L133 PolarHBondContact O-N 2.91Å |
| 132 | N | 90.3 | Very high | 92.4 | Very high | 86 Ų | 86 | 44.4 Ų | 44.4 | 46% | 0.46 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55 | 40.6 | -177.2 | -166.7 | 50.3 | 0 | 0 | 0 | 113 | F128 P129 M130 K161 | F128-N132 PolarHBondContact O-N 2.69Å; F128-N132 VanDerWaalsContact O-N 3.15Å; P129-N132 PolarHBondContact O-N 2.94Å; P129-N132 VanDerWaalsContact O-N 3.14Å; M130-N132 VanDerWaalsContact C-N 3.26Å; M130-N132 PolarHBondContact O-N 3.27Å; N132-K161 VanDerWaalsContact O-CB 3.31Å; N132-K161 WeakPolarHBondContact O-CB 3.5Å; N132-K161 WeakPolarHBondContact O-CG 3.29Å; N132-K161 PolarHBondContact O-N 2.85Å; N132-K161 VanDerWaalsContact O-N 3.14Å; N132-K161 VanDerWaalsContact OD1-CD 3.25Å; N132-K161 WeakPolarHBondContact OD1-CD 2.97Å |
| 133 | L | 93 | Very high | 92.4 | Very high | 16 Ų | 16 | 43.1 Ų | 43.1 | 8% | 0.084 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 159.9 | -180 | -57.6 | 179.3 | 0 | 0 | 0 | 111.4 | L107 F128 E131 F158 T160 K161 | L107-L133 HydrophobicContact CD1-CD1 3.65Å; L107-L133 HydrophobicContact CG-CD1 4.18Å; F128-L133 HydrophobicContact CD1-CB 3.81Å; F128-L133 HydrophobicContact CE1-CB 4.23Å; F128-L133 HydrophobicContact CG-CB 4.33Å; F128-L133 PolarHBondContact O-N 3.45Å; E131-L133 VanDerWaalsContact C-N 3.27Å; E131-L133 HydrophobicContact CB-CD1 3.77Å; E131-L133 HydrophobicContact CB-CG 3.74Å; E131-L133 PolarHBondContact O-N 2.91Å; L133-F158 HydrophobicContact CB-CB 4.35Å; L133-F158 HydrophobicContact CD1-CB 4.27Å; L133-F158 HydrophobicContact CD1-CD1 4.45Å; L133-F158 HydrophobicContact CD1-CD2 3.75Å; L133-F158 HydrophobicContact CD1-CE2 4.18Å; L133-F158 HydrophobicContact CD1-CG 3.9Å; L133-F158 HydrophobicContact CD2-CD2 3.64Å; L133-F158 HydrophobicContact CD2-CE2 3.99Å; L133-F158 HydrophobicContact CG-CD2 4.16Å; L133-T160 HydrophobicContact CD2-CG2 4.13Å; L133-K161 WeakPolarHBondContact O-CE 3.36Å |
| 134 | K | 92.3 | Very high | 91.9 | Very high | 114 Ų | 114 | 44.2 Ų | 44.2 | 50% | 0.496 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 142.8 | 167.1 | -78.3 | 177 | 175.9 | -172.4 | 0 | 109.1 | A136 F158 K159 K161 | K134-A136 PolarHBondContact O-N 2.91Å; K134-F158 CarbonylContact O-C 3.6Å; K134-F158 VanDerWaalsContact O-CA 3.29Å; K134-F158 WeakPolarHBondContact O-CA 3.49Å; K134-K159 HydrophobicContact CB-CG 3.98Å; K134-K159 PolarHBondContact N-O 3.13Å; K134-K159 PolarHBondContact O-N 2.9Å; K134-K161 HydrophobicContact CD-CG 3.89Å; K134-K161 HydrophobicContact CG-CD 4.14Å; K134-K161 VanDerWaalsContact CG-CE 3.49Å; K134-K161 HydrophobicContact CG-CG 3.61Å |
| 135 | L | 93.4 | Very high | 91.2 | Very high | 37 Ų | 37 | 44.2 Ų | 44.2 | 19% | 0.194 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.1 | 134.4 | 167.7 | -160.5 | 67.3 | 0 | 0 | 0 | 108.8 | L73 L124 F128 G137 I139 F156 P157 | L73-L135 HydrophobicContact CD1-CD2 4Å; L73-L135 HydrophobicContact CD2-CD2 3.69Å; L73-L135 HydrophobicContact CG-CD2 4.23Å; L124-L135 HydrophobicContact CD1-CD2 4.4Å; L124-L135 HydrophobicContact CD2-CB 4.37Å; L124-L135 HydrophobicContact CD2-CD1 3.96Å; L124-L135 HydrophobicContact CD2-CD2 3.94Å; L124-L135 HydrophobicContact CD2-CG 4.34Å; F128-L135 HydrophobicContact CE1-CB 4.17Å; F128-L135 HydrophobicContact CE1-CD1 3.98Å; F128-L135 HydrophobicContact CZ-CD1 3.85Å; L135-G137 WeakPolarHBondContact CG-O 3.49Å; L135-I139 HydrophobicContact CD1-CG1 4.33Å; L135-I139 HydrophobicContact CD2-CG1 4.49Å; L135-F156 HydrophobicContact CD1-CB 4.14Å; L135-F156 HydrophobicContact CD1-CD1 4.18Å; L135-P157 WeakPolarHBondContact CA-O 3.46Å; L135-P157 HydrophobicContact CD1-CG 4.47Å; L135-P157 WeakPolarHBondContact CD1-O 3.49Å |
| 136 | A | 93.1 | Very high | 90.6 | Very high | 25 Ų | 25 | 47.7 Ų | 47.7 | 21% | 0.207 | 24% | 0.243 | C | C | . | . | trans | -112 | 0.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | M104 K134 P157 K159 | M104-A136 HydrophobicContact SD-CB 4.43Å; K134-A136 PolarHBondContact O-N 2.91Å; A136-P157 HydrophobicContact CB-CB 4.34Å; A136-P157 PolarHBondContact N-O 3.35Å; A136-K159 HydrophobicContact CB-CB 4.2Å; A136-K159 HydrophobicContact CB-CD 4.16Å; A136-K159 HydrophobicContact CB-CG 4.13Å | ||
| 137 | G | 93.5 | Very high | 90 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 6% | 0.062 | 22% | 0.224 | C | C | . | . | S | Bend | trans | 172.4 | -167.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L71 L135 P157 | L71-G137 CarbonylContact O-C 3.47Å; L71-G137 WeakPolarHBondContact O-CA 3.28Å; L135-G137 WeakPolarHBondContact CG-O 3.49Å; G137-P157 WeakPolarHBondContact O-CG 3.5Å |
| 138 | A | 94.5 | Very high | 89.2 | Confident | 2 Ų | 2 | 46.2 Ų | 46.2 | 2% | 0.017 | 25% | 0.245 | C | C | . | . | trans | -63.6 | 144.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | M64 L71 E72 H140 P157 | M64-A138 HydrophobicContact CB-CB 3.8Å; M64-A138 WeakPolarHBondContact O-CB 3.02Å; L71-A138 PolarHBondContact O-N 2.87Å; E72-A138 WeakPolarHBondContact O-CB 3.41Å; A138-H140 PolarHBondContact O-CE1 2.84Å; A138-P157 WeakPolarHBondContact O-CD 3.35Å; A138-P157 WeakPolarHBondContact O-CG 3.25Å | ||
| 139 | I | 94.3 | Very high | 88.4 | Confident | 21 Ų | 21 | 55.6 Ų | 55.6 | 11% | 0.108 | 29% | 0.289 | C | S | . | . | trans | -74.5 | 137.9 | 172.7 | -59.3 | 159.2 | 0 | 0 | 0 | 107.4 | M64 T120 L124 L135 L154 Y155 F156 | M64-I139 VanDerWaalsContact SD-O 3.34Å; T120-I139 HydrophobicContact CG2-CD1 3.65Å; L124-I139 HydrophobicContact CD1-CD1 4.48Å; L135-I139 HydrophobicContact CD1-CG1 4.33Å; L135-I139 HydrophobicContact CD2-CG1 4.49Å; I139-L154 HydrophobicContact CG2-CB 4.27Å; I139-Y155 WeakPolarHBondContact CA-O 3.01Å; I139-F156 HydrophobicContact CD1-CD1 3.62Å; I139-F156 HydrophobicContact CD1-CE1 3.3Å; I139-F156 HydrophobicContact CD1-CZ 4.13Å; I139-F156 HydrophobicContact CG1-CD1 3.59Å; I139-F156 HydrophobicContact CG1-CE1 3.76Å; I139-F156 HydrophobicContact CG1-CG 4.27Å; I139-F156 HydrophobicContact CG2-CD1 4.28Å; I139-F156 HydrophobicContact CG2-CD2 4.41Å; I139-F156 HydrophobicContact CG2-CE1 4.15Å; I139-F156 HydrophobicContact CG2-CE2 4.26Å; I139-F156 HydrophobicContact CG2-CG 4.39Å; I139-F156 HydrophobicContact CG2-CZ 4.11Å | ||
| 140 | H | 95.6 | Very high | 87.9 | Confident | 4 Ų | 4 | 54.1 Ų | 54.1 | 2% | 0.019 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 147.5 | 176.9 | -58.3 | -28.9 | 0 | 0 | 0 | 110.2 | W61 L63 M64 A138 Y155 | W61-H140 HydrophobicContact CE3-CB 4.4Å; W61-H140 HydrophobicContact CZ3-CB 4.43Å; L63-H140 HydrophobicContact CD2-CB 4.07Å; M64-H140 PolarHBondContact N-ND1 2.87Å; M64-H140 PolarHBondContact O-CE1 3.37Å; M64-H140 VanDerWaalsContact O-CE1 3.31Å; A138-H140 PolarHBondContact O-CE1 2.84Å; H140-Y155 PolarHBondContact N-O 3.05Å; H140-Y155 PolarHBondContact O-N 3.31Å |
| 141 | E | 94.6 | Very high | 87.8 | Confident | 20 Ų | 20 | 53.4 Ų | 53.4 | 9% | 0.093 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 138.9 | 173.7 | -60.4 | 175.1 | 172.3 | 0 | 0 | 109 | W61 G62 M64 Y80 Y143 V152 L154 | W61-E141 CarbonylContact C-O 3.51Å; W61-E141 WeakPolarHBondContact CA-O 3.16Å; G62-E141 PolarHBondContact N-O 2.89Å; G62-E141 PolarHBondContact O-N 2.72Å; M64-E141 HydrophobicContact CE-CG 3.96Å; M64-E141 WeakPolarHBondContact CE-OE1 3.42Å; Y80-E141 PolarHBondContact OH-OE2 3.16Å; E141-Y143 HydrophobicContact CB-CD2 4.35Å; E141-Y143 HydrophobicContact CB-CE2 3.51Å; E141-Y143 VanDerWaalsContact CD-OH 3.32Å; E141-Y143 WeakPolarHBondContact OE2-CE2 3.4Å; E141-Y143 PolarHBondContact OE2-OH 3.04Å; E141-V152 HydrophobicContact CB-CG2 3.95Å; E141-V152 HydrophobicContact CG-CG2 4.29Å; E141-L154 HydrophobicContact CG-CD2 3.97Å |
| 142 | H | 94.1 | Very high | 87.9 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.009 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 127.1 | 176.9 | -176 | -134.2 | 0 | 0 | 0 | 109 | Q59 L60 W61 L144 F147 E153 Y155 | Q59-H142 PolarHBondContact OE1-CE1 3.46Å; Q59-H142 PolarHBondContact OE1-NE2 3.47Å; L60-H142 WeakPolarHBondContact O-CA 3.47Å; L60-H142 PolarHBondContact O-CD2 2.8Å; L60-H142 VanDerWaalsContact O-CD2 3.24Å; W61-H142 AromaticContact CD2-CD2 3.74Å; W61-H142 AromaticContact CE2-CD2 3.49Å; W61-H142 VanDerWaalsContact CE2-CD2 3.49Å; W61-H142 AromaticContact CE2-NE2 3.96Å; W61-H142 HydrophobicContact CE3-CB 3.96Å; W61-H142 HydrophobicContact CH2-CB 4.06Å; W61-H142 AromaticContact CH2-CD2 3.88Å; W61-H142 AromaticContact CH2-CG 3.89Å; W61-H142 AromaticContact CZ2-CD2 3.59Å; W61-H142 AromaticContact CZ2-NE2 3.88Å; W61-H142 HydrophobicContact CZ3-CB 3.71Å; W61-H142 AromaticContact NE1-CD2 3.96Å; H142-L144 VanDerWaalsContact CE1-CD2 3.42Å; H142-L144 WeakPolarHBondContact CE1-CD2 3.32Å; H142-F147 WeakPolarHBondContact O-CE2 3.32Å; H142-E153 HydrophobicContact CB-CB 4.28Å; H142-E153 WeakPolarHBondContact CB-O 3.27Å; H142-E153 PolarHBondContact N-O 3.16Å; H142-E153 IonicContact ND1-OE2 3.86Å; H142-E153 PolarHBondContact ND1-OE2 3.26Å; H142-E153 PolarHBondContact O-N 2.87Å; H142-Y155 HydrophobicContact CB-CD2 3.66Å; H142-Y155 HydrophobicContact CB-CE2 3.35Å; H142-Y155 AromaticContact CG-CE2 3.73Å; H142-Y155 AromaticContact ND1-CE2 3.61Å; H142-Y155 AromaticContact ND1-CZ 3.85Å; H142-Y155 PolarHBondContact ND1-OH 2.88Å |
| 143 | Y | 91.1 | Very high | 88.1 | Confident | 53 Ų | 53 | 45.5 Ų | 45.5 | 21% | 0.208 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 126 | -178.5 | -57.8 | -90.2 | 0 | 0 | 0 | 108.4 | W36 L60 E141 V152 | W36-Y143 AromaticContact CH2-CD2 3.85Å; W36-Y143 HydrophobicContact CH2-CD2 3.85Å; W36-Y143 HydrophobicContact CH2-CE2 4.25Å; W36-Y143 AromaticContact CZ2-CD2 3.65Å; W36-Y143 HydrophobicContact CZ2-CD2 3.65Å; W36-Y143 AromaticContact CZ2-CE2 3.56Å; W36-Y143 HydrophobicContact CZ2-CE2 3.56Å; L60-Y143 VanDerWaalsContact CB-O 3.31Å; L60-Y143 WeakPolarHBondContact CB-O 3.36Å; L60-Y143 PolarHBondContact N-O 2.94Å; L60-Y143 VanDerWaalsContact N-O 3.08Å; L60-Y143 PolarHBondContact O-N 3.12Å; E141-Y143 HydrophobicContact CB-CD2 4.35Å; E141-Y143 HydrophobicContact CB-CE2 3.51Å; E141-Y143 VanDerWaalsContact CD-OH 3.32Å; E141-Y143 WeakPolarHBondContact OE2-CE2 3.4Å; E141-Y143 PolarHBondContact OE2-OH 3.04Å; Y143-V152 HydrophobicContact CD1-CB 4.18Å; Y143-V152 HydrophobicContact CD1-CG2 4.1Å; Y143-V152 HydrophobicContact CE1-CB 3.7Å; Y143-V152 HydrophobicContact CE1-CG2 3.57Å; Y143-V152 HydrophobicContact CE2-CG2 4.22Å |
| 144 | L | 82.8 | Confident | 88.2 | Confident | 25 Ų | 25 | 44.9 Ų | 44.9 | 13% | 0.131 | 24% | 0.239 | C | C | . | . | trans | -102.4 | 139.7 | 172.5 | -63.8 | 175.8 | 0 | 0 | 0 | 109.5 | H142 H146 F147 | H142-L144 VanDerWaalsContact CE1-CD2 3.42Å; H142-L144 WeakPolarHBondContact CE1-CD2 3.32Å; L144-H146 VanDerWaalsContact CB-CE1 3.43Å; L144-H146 WeakPolarHBondContact CB-CE1 3.48Å; L144-H146 WeakPolarHBondContact CD1-CE1 3.41Å; L144-H146 PolarHBondContact O-N 2.93Å; L144-F147 HydrophobicContact CB-CD1 3.68Å; L144-F147 HydrophobicContact CB-CD2 4.23Å; L144-F147 HydrophobicContact CB-CE1 3.67Å; L144-F147 HydrophobicContact CB-CE2 4.22Å; L144-F147 HydrophobicContact CB-CG 3.97Å; L144-F147 HydrophobicContact CB-CZ 3.94Å; L144-F147 HydrophobicContact CD1-CD1 4.37Å; L144-F147 HydrophobicContact CD1-CE1 3.54Å; L144-F147 HydrophobicContact CD1-CZ 3.68Å; L144-F147 HydrophobicContact CG-CD1 4.37Å; L144-F147 HydrophobicContact CG-CE1 3.84Å; L144-F147 HydrophobicContact CG-CE2 4.24Å; L144-F147 HydrophobicContact CG-CZ 3.75Å; L144-F147 WeakPolarHBondContact O-CB 3.18Å; L144-F147 PolarHBondContact O-N 3.4Å | ||
| 145 | P | 77.3 | Confident | 88.4 | Confident | 61 Ų | 61 | 40.2 Ų | 40.2 | 40% | 0.396 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -20.8 | 178.5 | -28.4 | 33.9 | 0 | 0 | 0 | 115.1 | M55 L58 | M55-P145 VanDerWaalsContact O-CB 3.29Å; M55-P145 WeakPolarHBondContact O-CB 3.17Å; M55-P145 WeakPolarHBondContact O-CG 3.45Å; L58-P145 HydrophobicContact CB-CG 4.05Å; L58-P145 WeakPolarHBondContact O-CD 3.28Å; L58-P145 WeakPolarHBondContact O-CG 3.38Å |
| 146 | H | 78.2 | Confident | 88.5 | Confident | 126 Ų | 126 | 38.5 Ų | 38.5 | 58% | 0.583 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 0.2 | 177.5 | 62 | -97.6 | 0 | 0 | 0 | 113.9 | L144 | L144-H146 VanDerWaalsContact CB-CE1 3.43Å; L144-H146 WeakPolarHBondContact CB-CE1 3.48Å; L144-H146 WeakPolarHBondContact CD1-CE1 3.41Å; L144-H146 PolarHBondContact O-N 2.93Å |
| 147 | F | 78.6 | Confident | 88.6 | Confident | 28 Ų | 28 | 37.4 Ų | 37.4 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -63.4 | 142.5 | 170.3 | -78.6 | 2 | 0 | 0 | 0 | 109.6 | H142 L144 E151 E153 | H142-F147 WeakPolarHBondContact O-CE2 3.32Å; L144-F147 HydrophobicContact CB-CD1 3.68Å; L144-F147 HydrophobicContact CB-CD2 4.23Å; L144-F147 HydrophobicContact CB-CE1 3.67Å; L144-F147 HydrophobicContact CB-CE2 4.22Å; L144-F147 HydrophobicContact CB-CG 3.97Å; L144-F147 HydrophobicContact CB-CZ 3.94Å; L144-F147 HydrophobicContact CD1-CD1 4.37Å; L144-F147 HydrophobicContact CD1-CE1 3.54Å; L144-F147 HydrophobicContact CD1-CZ 3.68Å; L144-F147 HydrophobicContact CG-CD1 4.37Å; L144-F147 HydrophobicContact CG-CE1 3.84Å; L144-F147 HydrophobicContact CG-CE2 4.24Å; L144-F147 HydrophobicContact CG-CZ 3.75Å; L144-F147 WeakPolarHBondContact O-CB 3.18Å; L144-F147 PolarHBondContact O-N 3.4Å; F147-E151 HydrophobicContact CB-CB 3.77Å; F147-E151 HydrophobicContact CD2-CB 4.16Å; F147-E151 WeakPolarHBondContact CD2-O 3.38Å; F147-E151 HydrophobicContact CG-CB 4.03Å; F147-E153 HydrophobicContact CE2-CB 4.04Å; F147-E153 HydrophobicContact CZ-CB 4.11Å |
| 148 | A | 74.8 | Confident | 88.6 | Confident | 57 Ų | 57 | 37.7 Ų | 37.7 | 47% | 0.471 | 20% | 0.2 | S | C | . | . | P | Polyproline II helix | trans | -62.3 | 159.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | G150 E151 | A148-G150 PolarHBondContact O-N 3.48Å; A148-G150 VanDerWaalsContact O-N 3.13Å; A148-E151 HydrophobicContact CB-CG 4.04Å; A148-E151 PolarHBondContact N-OE2 3.48Å; A148-E151 WeakPolarHBondContact O-CB 3.41Å; A148-E151 PolarHBondContact O-N 2.97Å |
| 149 | E | 75.6 | Confident | 88.5 | Confident | 205 Ų | 205 | 43 Ų | 43 | 96% | 0.958 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 124.3 | 175.4 | -171.5 | 176.7 | 179.8 | 0 | 0 | 110.2 | ||
| 150 | G | 80.6 | Confident | 88 | Confident | 38 Ų | 38 | 46.7 Ų | 46.7 | 39% | 0.392 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 6.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | S112 A113 A148 | S112-G150 CarbonylContact C-O 3.35Å; S112-G150 WeakPolarHBondContact CA-O 3.16Å; A113-G150 PolarHBondContact N-O 2.8Å; A148-G150 PolarHBondContact O-N 3.48Å; A148-G150 VanDerWaalsContact O-N 3.13Å |
| 151 | E | 88.3 | Confident | 87.1 | Confident | 93 Ų | 93 | 49.9 Ų | 49.9 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 137.5 | 168.3 | -79.4 | -176.3 | 153.4 | 0 | 0 | 111.1 | F147 A148 | F147-E151 HydrophobicContact CB-CB 3.77Å; F147-E151 HydrophobicContact CD2-CB 4.16Å; F147-E151 WeakPolarHBondContact CD2-O 3.38Å; F147-E151 HydrophobicContact CG-CB 4.03Å; A148-E151 HydrophobicContact CB-CG 4.04Å; A148-E151 PolarHBondContact N-OE2 3.48Å; A148-E151 WeakPolarHBondContact O-CB 3.41Å; A148-E151 PolarHBondContact O-N 2.97Å |
| 152 | V | 90.7 | Very high | 85.8 | Confident | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 145.1 | 178 | 61.1 | 0 | 0 | 0 | 0 | 109.7 | K110 A111 I116 E141 Y143 L154 | K110-V152 WeakPolarHBondContact CA-O 3.42Å; A111-V152 HydrophobicContact CB-CG1 4.39Å; A111-V152 PolarHBondContact N-O 3.27Å; A111-V152 PolarHBondContact O-N 2.96Å; I116-V152 HydrophobicContact CD1-CG1 3.98Å; I116-V152 HydrophobicContact CG1-CG1 3.75Å; E141-V152 HydrophobicContact CB-CG2 3.95Å; E141-V152 HydrophobicContact CG-CG2 4.29Å; Y143-V152 HydrophobicContact CD1-CB 4.18Å; Y143-V152 HydrophobicContact CD1-CG2 4.1Å; Y143-V152 HydrophobicContact CE1-CB 3.7Å; Y143-V152 HydrophobicContact CE1-CG2 3.57Å; Y143-V152 HydrophobicContact CE2-CG2 4.22Å; V152-L154 HydrophobicContact CG2-CD2 4.21Å |
| 153 | E | 93.6 | Very high | 83.8 | Confident | 22 Ų | 22 | 61.8 Ų | 61.8 | 10% | 0.103 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123.2 | 170.4 | -170.4 | 169.8 | -115.2 | 0 | 0 | 109.3 | K110 H142 F147 Y155 | K110-E153 WeakPolarHBondContact CE-OE1 3.25Å; K110-E153 HydrophobicContact CG-CB 4.26Å; K110-E153 HydrophobicContact CG-CG 4.05Å; K110-E153 WeakPolarHBondContact CG-OE1 3.21Å; H142-E153 HydrophobicContact CB-CB 4.28Å; H142-E153 WeakPolarHBondContact CB-O 3.27Å; H142-E153 PolarHBondContact N-O 3.16Å; H142-E153 IonicContact ND1-OE2 3.86Å; H142-E153 PolarHBondContact ND1-OE2 3.26Å; H142-E153 PolarHBondContact O-N 2.87Å; F147-E153 HydrophobicContact CE2-CB 4.04Å; F147-E153 HydrophobicContact CZ-CB 4.11Å; E153-Y155 HydrophobicContact CB-CE2 4.14Å; E153-Y155 HydrophobicContact CG-CD2 4.21Å; E153-Y155 HydrophobicContact CG-CE2 3.66Å; E153-Y155 WeakPolarHBondContact OE2-CE2 3.43Å; E153-Y155 PolarHBondContact OE2-OH 3.36Å; E153-Y155 VanDerWaalsContact OE2-OH 3.13Å |
| 154 | L | 94.6 | Very high | 81.5 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 1% | 0.01 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 129.4 | -178.1 | -63.1 | -180 | 0 | 0 | 0 | 109.7 | T108 V109 I116 A119 I139 E141 V152 F156 | T108-L154 WeakPolarHBondContact CA-O 3.31Å; V109-L154 HydrophobicContact CG1-CB 4.2Å; V109-L154 PolarHBondContact N-O 3.07Å; V109-L154 PolarHBondContact O-N 2.99Å; I116-L154 HydrophobicContact CG1-CD2 4.35Å; I116-L154 HydrophobicContact CG2-CD1 4.06Å; I116-L154 HydrophobicContact CG2-CD2 4.09Å; A119-L154 HydrophobicContact CB-CD1 4.04Å; I139-L154 HydrophobicContact CG2-CB 4.27Å; E141-L154 HydrophobicContact CG-CD2 3.97Å; V152-L154 HydrophobicContact CG2-CD2 4.21Å; L154-F156 HydrophobicContact CB-CD2 4.19Å; L154-F156 HydrophobicContact CB-CE2 3.4Å; L154-F156 VanDerWaalsContact CB-CE2 3.4Å; L154-F156 HydrophobicContact CB-CZ 4.06Å; L154-F156 HydrophobicContact CD1-CE2 4.15Å; L154-F156 HydrophobicContact CD1-CZ 4.04Å; L154-F156 HydrophobicContact CG-CE2 4.45Å |
| 155 | Y | 96.1 | Very high | 81.4 | Confident | 17 Ų | 17 | 74.8 Ų | 74.8 | 7% | 0.067 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 109.8 | -178.7 | -81.3 | -115 | 0 | 0 | 0 | 109.5 | L11 W61 Y106 T108 I139 H140 H142 E153 P157 | L11-Y155 HydrophobicContact CD1-CD1 4.01Å; L11-Y155 HydrophobicContact CD1-CE1 3.84Å; L11-Y155 HydrophobicContact CG-CE1 4.5Å; W61-Y155 AromaticContact CH2-CD1 3.82Å; W61-Y155 HydrophobicContact CH2-CD1 3.82Å; W61-Y155 HydrophobicContact CH2-CD2 4.15Å; W61-Y155 AromaticContact CH2-CE1 3.63Å; W61-Y155 HydrophobicContact CH2-CE1 3.63Å; W61-Y155 AromaticContact CH2-CE2 3.98Å; W61-Y155 HydrophobicContact CH2-CE2 3.98Å; W61-Y155 HydrophobicContact CH2-CG 4.08Å; W61-Y155 AromaticContact CH2-CZ 3.7Å; W61-Y155 HydrophobicContact CZ3-CD1 4.05Å; W61-Y155 AromaticContact CZ3-CD2 3.91Å; W61-Y155 HydrophobicContact CZ3-CD2 3.91Å; W61-Y155 HydrophobicContact CZ3-CE1 4.27Å; W61-Y155 HydrophobicContact CZ3-CE2 4.15Å; W61-Y155 AromaticContact CZ3-CG 3.86Å; W61-Y155 HydrophobicContact CZ3-CG 3.86Å; Y106-Y155 HydrophobicContact CD1-CD1 4.26Å; Y106-Y155 HydrophobicContact CD2-CD1 4.36Å; Y106-Y155 AromaticContact CG-CD1 3.91Å; Y106-Y155 HydrophobicContact CG-CD1 3.91Å; T108-Y155 HydrophobicContact CG2-CD1 3.52Å; T108-Y155 HydrophobicContact CG2-CD2 3.93Å; T108-Y155 HydrophobicContact CG2-CE1 3.42Å; T108-Y155 VanDerWaalsContact CG2-CE1 3.42Å; T108-Y155 HydrophobicContact CG2-CE2 3.83Å; T108-Y155 HydrophobicContact CG2-CG 3.78Å; I139-Y155 WeakPolarHBondContact CA-O 3.01Å; H140-Y155 PolarHBondContact N-O 3.05Å; H140-Y155 PolarHBondContact O-N 3.31Å; H142-Y155 HydrophobicContact CB-CD2 3.66Å; H142-Y155 HydrophobicContact CB-CE2 3.35Å; H142-Y155 AromaticContact CG-CE2 3.73Å; H142-Y155 AromaticContact ND1-CE2 3.61Å; H142-Y155 AromaticContact ND1-CZ 3.85Å; H142-Y155 PolarHBondContact ND1-OH 2.88Å; E153-Y155 HydrophobicContact CB-CE2 4.14Å; E153-Y155 HydrophobicContact CG-CD2 4.21Å; E153-Y155 HydrophobicContact CG-CE2 3.66Å; E153-Y155 WeakPolarHBondContact OE2-CE2 3.43Å; E153-Y155 PolarHBondContact OE2-OH 3.36Å; E153-Y155 VanDerWaalsContact OE2-OH 3.13Å; Y155-P157 VanDerWaalsContact O-CD 3.26Å; Y155-P157 WeakPolarHBondContact O-CD 3.02Å |
| 156 | F | 95.8 | Very high | 81.6 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 102.8 | -178.4 | -64.2 | -104.4 | 0 | 0 | 0 | 110 | Y106 L107 V109 T120 M123 L124 F128 L135 I139 L154 F158 | Y106-F156 VanDerWaalsContact CA-O 3.3Å; Y106-F156 WeakPolarHBondContact CA-O 3.49Å; L107-F156 HydrophobicContact CB-CB 4.44Å; L107-F156 PolarHBondContact N-O 3.3Å; L107-F156 WeakPolarHBondContact O-CB 3.37Å; L107-F156 WeakPolarHBondContact O-CD2 3.33Å; L107-F156 PolarHBondContact O-N 3.17Å; V109-F156 HydrophobicContact CG1-CD2 4.35Å; V109-F156 HydrophobicContact CG1-CE2 3.61Å; V109-F156 HydrophobicContact CG1-CZ 4.43Å; T120-F156 HydrophobicContact CG2-CE1 4.12Å; M123-F156 HydrophobicContact CB-CD1 4.14Å; M123-F156 HydrophobicContact CB-CE1 3.72Å; M123-F156 HydrophobicContact CB-CE2 4.18Å; M123-F156 HydrophobicContact CB-CZ 3.78Å; M123-F156 HydrophobicContact CE-CD2 3.98Å; M123-F156 HydrophobicContact CE-CE2 4.38Å; M123-F156 HydrophobicContact CE-CG 4.3Å; M123-F156 HydrophobicContact CG-CD2 4.24Å; M123-F156 HydrophobicContact CG-CE1 4.21Å; M123-F156 HydrophobicContact CG-CE2 3.75Å; M123-F156 HydrophobicContact CG-CZ 3.75Å; L124-F156 HydrophobicContact CD2-CD1 4.07Å; L124-F156 HydrophobicContact CD2-CE1 4.37Å; L124-F156 HydrophobicContact CG-CE1 4.33Å; F128-F156 HydrophobicContact CE2-CB 3.71Å; F128-F156 HydrophobicContact CE2-CD1 4.2Å; F128-F156 HydrophobicContact CE2-CG 4.15Å; F128-F156 HydrophobicContact CZ-CB 3.61Å; F128-F156 HydrophobicContact CZ-CG 4.45Å; L135-F156 HydrophobicContact CD1-CB 4.14Å; L135-F156 HydrophobicContact CD1-CD1 4.18Å; I139-F156 HydrophobicContact CD1-CD1 3.62Å; I139-F156 HydrophobicContact CD1-CE1 3.3Å; I139-F156 HydrophobicContact CD1-CZ 4.13Å; I139-F156 HydrophobicContact CG1-CD1 3.59Å; I139-F156 HydrophobicContact CG1-CE1 3.76Å; I139-F156 HydrophobicContact CG1-CG 4.27Å; I139-F156 HydrophobicContact CG2-CD1 4.28Å; I139-F156 HydrophobicContact CG2-CD2 4.41Å; I139-F156 HydrophobicContact CG2-CE1 4.15Å; I139-F156 HydrophobicContact CG2-CE2 4.26Å; I139-F156 HydrophobicContact CG2-CG 4.39Å; I139-F156 HydrophobicContact CG2-CZ 4.11Å; L154-F156 HydrophobicContact CB-CD2 4.19Å; L154-F156 HydrophobicContact CB-CE2 3.4Å; L154-F156 VanDerWaalsContact CB-CE2 3.4Å; L154-F156 HydrophobicContact CB-CZ 4.06Å; L154-F156 HydrophobicContact CD1-CE2 4.15Å; L154-F156 HydrophobicContact CD1-CZ 4.04Å; L154-F156 HydrophobicContact CG-CE2 4.45Å; F156-F158 PolarHBondContact O-N 3.04Å |
| 157 | P | 95.7 | Very high | 81.8 | Confident | 2 Ų | 2 | 72.7 Ų | 72.7 | 1% | 0.013 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 130 | 177.3 | 25.2 | -34.1 | 0 | 0 | 0 | 110.1 | M104 Y106 L135 A136 G137 A138 Y155 | M104-P157 HydrophobicContact CG-CB 4.25Å; M104-P157 HydrophobicContact SD-CB 3.21Å; M104-P157 WeakPolarHBondContact SD-CB 3.49Å; M104-P157 HydrophobicContact SD-CG 4.43Å; Y106-P157 HydrophobicContact CD1-CB 3.94Å; Y106-P157 HydrophobicContact CE1-CB 3.7Å; Y106-P157 HydrophobicContact CE1-CG 4.29Å; L135-P157 WeakPolarHBondContact CA-O 3.46Å; L135-P157 HydrophobicContact CD1-CG 4.47Å; L135-P157 WeakPolarHBondContact CD1-O 3.49Å; A136-P157 HydrophobicContact CB-CB 4.34Å; A136-P157 PolarHBondContact N-O 3.35Å; G137-P157 WeakPolarHBondContact O-CG 3.5Å; A138-P157 WeakPolarHBondContact O-CD 3.35Å; A138-P157 WeakPolarHBondContact O-CG 3.25Å; Y155-P157 VanDerWaalsContact O-CD 3.26Å; Y155-P157 WeakPolarHBondContact O-CD 3.02Å |
| 158 | F | 94.6 | Very high | 82 | Confident | 13 Ų | 13 | 75.4 Ų | 75.4 | 6% | 0.057 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 154.2 | -178.2 | 74.2 | -93.4 | 0 | 0 | 0 | 113.3 | R8 S105 Y106 L107 F128 L133 K134 F156 | R8-F158 HydrophobicContact CG-CE1 4.12Å; R8-F158 HydrophobicContact CG-CZ 4.01Å; S105-F158 WeakPolarHBondContact O-CD1 3.45Å; S105-F158 PolarHBondContact O-N 3.28Å; Y106-F158 VanDerWaalsContact C-CE1 3.42Å; L107-F158 HydrophobicContact CB-CD1 4.45Å; L107-F158 HydrophobicContact CD2-CD1 4.37Å; L107-F158 HydrophobicContact CD2-CE1 4.04Å; L107-F158 HydrophobicContact CG-CD1 3.79Å; L107-F158 HydrophobicContact CG-CE1 3.98Å; F128-F158 HydrophobicContact CE1-CB 3.62Å; F128-F158 HydrophobicContact CZ-CB 3.86Å; L133-F158 HydrophobicContact CB-CB 4.35Å; L133-F158 HydrophobicContact CD1-CB 4.27Å; L133-F158 HydrophobicContact CD1-CD1 4.45Å; L133-F158 HydrophobicContact CD1-CD2 3.75Å; L133-F158 HydrophobicContact CD1-CE2 4.18Å; L133-F158 HydrophobicContact CD1-CG 3.9Å; L133-F158 HydrophobicContact CD2-CD2 3.64Å; L133-F158 HydrophobicContact CD2-CE2 3.99Å; L133-F158 HydrophobicContact CG-CD2 4.16Å; K134-F158 CarbonylContact O-C 3.6Å; K134-F158 VanDerWaalsContact O-CA 3.29Å; K134-F158 WeakPolarHBondContact O-CA 3.49Å; F156-F158 PolarHBondContact O-N 3.04Å |
| 159 | K | 91.3 | Very high | 82.4 | Confident | 113 Ų | 113 | 76.5 Ų | 76.5 | 49% | 0.491 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 144 | 165.7 | 60.3 | -165.8 | 169.7 | -161.3 | 0 | 109.5 | K134 A136 K161 | K134-K159 HydrophobicContact CB-CG 3.98Å; K134-K159 PolarHBondContact N-O 3.13Å; K134-K159 PolarHBondContact O-N 2.9Å; A136-K159 HydrophobicContact CB-CB 4.2Å; A136-K159 HydrophobicContact CB-CD 4.16Å; A136-K159 HydrophobicContact CB-CG 4.13Å; K159-K161 PolarHBondContact O-N 2.86Å |
| 160 | T | 85 | Confident | 82.9 | Confident | 99 Ų | 99 | 67.9 Ų | 67.9 | 61% | 0.607 | 35% | 0.349 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.5 | 134.8 | 171.1 | 51.6 | 0 | 0 | 0 | 0 | 108.5 | L133 G162 | L133-T160 HydrophobicContact CD2-CG2 4.13Å; T160-G162 PolarHBondContact O-N 2.95Å |
| 161 | K | 76.1 | Confident | 83.1 | Confident | 70 Ų | 70 | 70.1 Ų | 70.1 | 30% | 0.304 | 35% | 0.346 | S | S | . | . | trans | -63.2 | 109.8 | 164.8 | -71.1 | 175.4 | -177.2 | 163.6 | 0 | 105.4 | N132 L133 K134 K159 K163 | N132-K161 VanDerWaalsContact O-CB 3.31Å; N132-K161 WeakPolarHBondContact O-CB 3.5Å; N132-K161 WeakPolarHBondContact O-CG 3.29Å; N132-K161 PolarHBondContact O-N 2.85Å; N132-K161 VanDerWaalsContact O-N 3.14Å; N132-K161 VanDerWaalsContact OD1-CD 3.25Å; N132-K161 WeakPolarHBondContact OD1-CD 2.97Å; L133-K161 WeakPolarHBondContact O-CE 3.36Å; K134-K161 HydrophobicContact CD-CG 3.89Å; K134-K161 HydrophobicContact CG-CD 4.14Å; K134-K161 VanDerWaalsContact CG-CE 3.49Å; K134-K161 HydrophobicContact CG-CG 3.61Å; K159-K161 PolarHBondContact O-N 2.86Å; K161-K163 PolarHBondContact O-N 2.98Å | ||
| 162 | G | 66.6 | Low | 82.7 | Confident | 62 Ų | 62 | 68.3 Ų | 68.3 | 64% | 0.639 | 34% | 0.34 | S | S | * | . | trans | -46 | 130.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | T160 K164 | T160-G162 PolarHBondContact O-N 2.95Å; G162-K164 PolarHBondContact O-N 2.63Å | ||
| 163 | K | 52.3 | Low | 82 | Confident | 210 Ų | 210 | 73.9 Ų | 73.9 | 91% | 0.913 | 37% | 0.367 | S | S | * | . | trans | -55.6 | 113.4 | 170.1 | -74.1 | -176.1 | 177.3 | -179.8 | 0 | 106 | K161 | K161-K163 PolarHBondContact O-N 2.98Š| ||
| 164 | K | 42.3 | Very low | 80.9 | Confident | 277 Ų | 277 | 78.6 Ų | 78.6 | 100% | 1.204 | 39% | 0.392 | S | S | * | . | trans | -61.9 | 0 | 159.3 | -95.9 | -170.4 | 173.3 | -174.6 | 0 | 108.6 | G162 | G162-K164 PolarHBondContact O-N 2.63Š|
Retrieved 164 of 164 residues in 102.6 ms
(Link to these results)