| 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 | 37.2 | Very low | 77.8 | Confident | 197 Ų | 197 | 92.2 Ų | 92.2 | 97% | 0.97 | 52% | 0.516 | S | S | * | . | 0 | 142.9 | 0 | -65.7 | -169.8 | -177.8 | 0 | 0 | 107.9 | V3 | M1-V3 PolarHBondContact O-N 3.14Š| |||
| 2 | P | 44 | Very low | 79.5 | Confident | 126 Ų | 126 | 84.5 Ų | 84.5 | 82% | 0.818 | 47% | 0.473 | S | S | * | . | P | Polyproline II helix | trans | -63.2 | 129.4 | 176.1 | 27.9 | -31.7 | 0 | 0 | 0 | 108.5 | K4 | P2-K4 PolarHBondContact O-N 3.44Š|
| 3 | V | 54.9 | Low | 81 | Confident | 121 Ų | 121 | 78 Ų | 78 | 73% | 0.733 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 122.2 | 176 | -176.4 | 0 | 0 | 0 | 0 | 107.2 | M1 | M1-V3 PolarHBondContact O-N 3.14Š|
| 4 | K | 64.7 | Low | 82.3 | Confident | 133 Ų | 133 | 72.4 Ų | 72.4 | 58% | 0.578 | 41% | 0.405 | S | S | * | . | P | Polyproline II helix | trans | -55.1 | 133 | 177.9 | -81.9 | 179.8 | 179.4 | 171.2 | 0 | 108.2 | P2 V6 | P2-K4 PolarHBondContact O-N 3.44Å; K4-V6 PolarHBondContact O-N 3.16Å; K4-V6 VanDerWaalsContact O-N 3.09Å |
| 5 | P | 76.5 | Confident | 83.4 | Confident | 114 Ų | 114 | 68.1 Ų | 68.1 | 74% | 0.74 | 38% | 0.381 | S | S | * | . | P | Polyproline II helix | trans | -59.6 | 120.5 | -178.4 | 21.4 | -30 | 0 | 0 | 0 | 109.4 | ||
| 6 | V | 91.3 | Very high | 84.3 | Confident | 46 Ų | 46 | 63.8 Ų | 63.8 | 28% | 0.279 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -66.4 | 136.5 | 176.5 | 179 | 0 | 0 | 0 | 0 | 108.7 | K4 T212 T225 F226 | K4-V6 PolarHBondContact O-N 3.16Å; K4-V6 VanDerWaalsContact O-N 3.09Å; V6-T212 HydrophobicContact CG2-CG2 4.16Å; V6-T225 HydrophobicContact CG1-CG2 4.42Å; V6-T225 WeakPolarHBondContact CG1-O 3.28Å; V6-T225 HydrophobicContact CG2-CG2 4.33Å; V6-F226 HydrophobicContact CB-CE1 4.46Å; V6-F226 HydrophobicContact CG1-CB 4.38Å; V6-F226 HydrophobicContact CG1-CD1 3.25Å; V6-F226 HydrophobicContact CG1-CD2 4.18Å; V6-F226 HydrophobicContact CG1-CE1 3.37Å; V6-F226 HydrophobicContact CG1-CE2 4.27Å; V6-F226 HydrophobicContact CG1-CG 3.69Å; V6-F226 HydrophobicContact CG1-CZ 3.89Å; V6-F226 HydrophobicContact CG2-CE1 4.37Å; V6-F226 HydrophobicContact CG2-CZ 4.3Å |
| 7 | K | 93.8 | Very high | 85 | Confident | 113 Ų | 113 | 60.9 Ų | 60.9 | 49% | 0.491 | 34% | 0.341 | S | S | . | . | trans | -109 | 150.9 | 175.6 | -62 | 179.1 | -179 | 179.3 | 0 | 110.3 | V9 Q194 | K7-V9 PolarHBondContact O-N 2.78Å; K7-Q194 PolarHBondContact O-NE2 2.74Å; K7-Q194 PolarHBondContact O-OE1 3.04Å | ||
| 8 | P | 97.4 | Very high | 85.6 | Confident | 99 Ų | 99 | 58.1 Ų | 58.1 | 64% | 0.643 | 33% | 0.327 | S | S | * | . | trans | -54.6 | 139.6 | 170.1 | -24.9 | 34.7 | 0 | 0 | 0 | 111.9 | F226 | P8-F226 CarbonylContact C-O 3.54Å; P8-F226 VanDerWaalsContact CA-O 3.3Å; P8-F226 WeakPolarHBondContact CA-O 3.39Å | ||
| 9 | V | 98.5 | Very high | 86.3 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 8% | 0.079 | 31% | 0.31 | C | S | . | . | trans | -119.5 | 158 | 176.2 | -57.6 | 0 | 0 | 0 | 0 | 110.3 | K7 S174 L176 F226 L228 | K7-V9 PolarHBondContact O-N 2.78Å; V9-S174 CarbonylContact C-O 3.58Å; V9-S174 WeakPolarHBondContact CA-O 3.28Å; V9-S174 WeakPolarHBondContact CB-O 3.14Å; V9-L176 HydrophobicContact CB-CB 4.22Å; V9-L176 HydrophobicContact CG1-CB 4.04Å; V9-L176 HydrophobicContact CG2-CB 3.95Å; V9-L176 HydrophobicContact CG2-CD2 4.36Å; V9-F226 HydrophobicContact CG1-CB 4.48Å; V9-F226 HydrophobicContact CG1-CD1 4.15Å; V9-F226 HydrophobicContact CG2-CB 3.79Å; V9-F226 PolarHBondContact N-O 2.96Å; V9-L228 HydrophobicContact CG2-CD1 3.85Å; V9-L228 HydrophobicContact CG2-CD2 3.91Å; V9-L228 HydrophobicContact CG2-CG 3.79Å | ||
| 10 | S | 98.3 | Very high | 86.9 | Confident | 42 Ų | 42 | 52.4 Ų | 52.4 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -121.4 | -22.2 | 176.9 | 50.8 | 0 | 0 | 0 | 0 | 112.7 | P110 S174 | S10-P110 WeakPolarHBondContact O-CD 3.41Å; S10-S174 PolarHBondContact N-O 3.2Å; S10-S174 PolarHBondContact OG-O 3.36Å |
| 11 | H | 98.8 | Very high | 87.4 | Confident | 10 Ų | 10 | 49.9 Ų | 49.9 | 5% | 0.046 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 148.8 | -174.5 | -68.8 | 66.9 | 0 | 0 | 0 | 110.3 | P110 F165 D167 A169 S174 V175 L176 | H11-P110 WeakPolarHBondContact CA-O 3.27Å; H11-P110 VanDerWaalsContact CD2-CB 3.46Å; H11-P110 WeakPolarHBondContact CD2-CB 3.42Å; H11-F165 HydrophobicContact CB-CE2 4.22Å; H11-F165 AromaticContact CD2-CD1 3.97Å; H11-F165 AromaticContact CD2-CD2 3.62Å; H11-F165 AromaticContact CD2-CE2 3.91Å; H11-F165 AromaticContact CD2-CG 3.66Å; H11-D167 PolarHBondContact NE2-O 2.92Å; H11-A169 HydrophobicContact CB-CB 4.25Å; H11-A169 WeakPolarHBondContact ND1-CB 3.5Å; H11-S174 PolarHBondContact N-O 3.38Å; H11-V175 HydrophobicContact CB-CG1 4.43Å; H11-V175 HydrophobicContact CB-CG2 4.22Å; H11-V175 WeakPolarHBondContact O-CA 3.28Å; H11-L176 PolarHBondContact O-N 3.41Å |
| 12 | V | 98.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 134.7 | 179.1 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | F14 L104 V109 P110 M111 A112 L176 F178 L228 | V12-F14 HydrophobicContact CB-CE2 4.07Å; V12-F14 HydrophobicContact CG1-CD2 3.82Å; V12-F14 HydrophobicContact CG1-CE1 4.27Å; V12-F14 HydrophobicContact CG1-CE2 3.25Å; V12-F14 HydrophobicContact CG1-CZ 3.5Å; V12-L104 HydrophobicContact CB-CD1 4.14Å; V12-L104 HydrophobicContact CG1-CD1 4.1Å; V12-L104 HydrophobicContact CG2-CD1 3.96Å; V12-L104 HydrophobicContact CG2-CD2 4.47Å; V12-V109 HydrophobicContact CG2-CG1 3.93Å; V12-P110 PolarHBondContact N-O 3.39Å; V12-M111 HydrophobicContact CB-CB 4.22Å; V12-M111 CarbonylContact O-C 3.58Å; V12-M111 WeakPolarHBondContact O-CA 3.46Å; V12-A112 PolarHBondContact O-N 2.74Å; V12-L176 CarbonylContact C-O 3.59Å; V12-L176 VanDerWaalsContact CA-O 3.29Å; V12-L176 WeakPolarHBondContact CA-O 3.34Å; V12-L176 HydrophobicContact CG2-CB 4.49Å; V12-F178 HydrophobicContact CG1-CD2 3.62Å; V12-F178 HydrophobicContact CG1-CE2 3.59Å; V12-L228 HydrophobicContact CG2-CD1 4.16Å |
| 13 | I | 98.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 131.5 | 171.4 | -58.4 | 175.3 | 0 | 0 | 0 | 108.4 | A112 C114 Y158 C161 A162 F165 V175 L176 V177 F178 M193 | I13-A112 WeakPolarHBondContact CA-O 3.38Å; I13-C114 HydrophobicContact CG2-CB 3.75Å; I13-Y158 HydrophobicContact CG2-CD1 3.85Å; I13-Y158 HydrophobicContact CG2-CE1 3.94Å; I13-C161 HydrophobicContact CD1-CB 4.1Å; I13-C161 HydrophobicContact CG2-CB 4.45Å; I13-A162 HydrophobicContact CD1-CB 3.96Å; I13-F165 HydrophobicContact CD1-CE2 4.29Å; I13-F165 HydrophobicContact CG1-CE2 4Å; I13-F165 HydrophobicContact CG1-CZ 4.33Å; I13-V175 HydrophobicContact CD1-CG1 3.76Å; I13-V175 HydrophobicContact CG1-CG1 3.86Å; I13-L176 PolarHBondContact N-O 3.13Å; I13-V177 HydrophobicContact CB-CG2 4.45Å; I13-V177 CarbonylContact O-C 3.48Å; I13-V177 VanDerWaalsContact O-CA 3.23Å; I13-V177 WeakPolarHBondContact O-CA 2.93Å; I13-F178 PolarHBondContact O-N 3.25Å; I13-M193 HydrophobicContact CD1-CE 4.39Å; I13-M193 HydrophobicContact CD1-SD 4.39Å |
| 14 | F | 98.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 137 | 176.9 | -66.9 | -91.2 | 0 | 0 | 0 | 110.3 | V12 L19 L20 L100 L104 M111 A112 L113 C114 F136 F178 | V12-F14 HydrophobicContact CB-CE2 4.07Å; V12-F14 HydrophobicContact CG1-CD2 3.82Å; V12-F14 HydrophobicContact CG1-CE1 4.27Å; V12-F14 HydrophobicContact CG1-CE2 3.25Å; V12-F14 HydrophobicContact CG1-CZ 3.5Å; F14-L19 HydrophobicContact CD1-CD2 4.33Å; F14-L20 HydrophobicContact CB-CD1 3.77Å; F14-L20 HydrophobicContact CB-CG 4.32Å; F14-L20 HydrophobicContact CD1-CD1 4.36Å; F14-L20 HydrophobicContact CD1-CD2 3.82Å; F14-L20 HydrophobicContact CD1-CG 4.34Å; F14-L20 HydrophobicContact CE1-CD2 4.34Å; F14-L20 HydrophobicContact CG-CD1 4.18Å; F14-L20 HydrophobicContact CG-CD2 4.45Å; F14-L100 HydrophobicContact CE1-CD2 3.62Å; F14-L100 HydrophobicContact CE1-CG 4.22Å; F14-L100 HydrophobicContact CZ-CD2 3.84Å; F14-L100 HydrophobicContact CZ-CG 3.98Å; F14-L104 HydrophobicContact CE2-CD1 3.79Å; F14-L104 HydrophobicContact CZ-CD1 3.61Å; F14-M111 HydrophobicContact CE2-CB 4.25Å; F14-M111 HydrophobicContact CE2-SD 4.38Å; F14-A112 PolarHBondContact N-O 2.95Å; F14-L113 CarbonylContact O-C 3.58Å; F14-L113 WeakPolarHBondContact O-CA 3.22Å; F14-C114 PolarHBondContact O-N 3.35Å; F14-F136 HydrophobicContact CB-CE1 4.47Å; F14-F136 AromaticContact CD2-CE1 3.65Å; F14-F136 HydrophobicContact CD2-CE1 3.65Å; F14-F136 HydrophobicContact CD2-CZ 4.38Å; F14-F136 HydrophobicContact CE2-CE1 4.23Å; F14-F136 HydrophobicContact CG-CE1 4.31Å; F14-F178 HydrophobicContact CD1-CB 3.66Å; F14-F178 AromaticContact CD1-CD2 3.92Å; F14-F178 HydrophobicContact CD1-CD2 3.92Å; F14-F178 AromaticContact CD1-CG 3.9Å; F14-F178 HydrophobicContact CD1-CG 3.9Å; F14-F178 HydrophobicContact CE1-CB 3.98Å; F14-F178 HydrophobicContact CE1-CD1 4.31Å; F14-F178 AromaticContact CE1-CD2 3.48Å; F14-F178 HydrophobicContact CE1-CD2 3.48Å; F14-F178 VanDerWaalsContact CE1-CD2 3.48Å; F14-F178 AromaticContact CE1-CE2 3.99Å; F14-F178 HydrophobicContact CE1-CE2 3.99Å; F14-F178 AromaticContact CE1-CG 3.67Å; F14-F178 HydrophobicContact CE1-CG 3.67Å; F14-F178 AromaticContact CZ-CD2 3.94Å; F14-F178 HydrophobicContact CZ-CD2 3.94Å; F14-F178 HydrophobicContact CZ-CE2 4.12Å |
| 15 | D | 98.5 | Very high | 96 | Very high | 7 Ų | 7 | 30 Ų | 30 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | trans | -67 | 176.3 | 148.5 | -168.3 | 68.2 | 0 | 0 | 0 | 110 | D17 L19 L20 K152 F178 E179 | D15-D17 PolarHBondContact OD2-N 2.9Å; D15-L19 HydrophobicContact CB-CD2 4.03Å; D15-L20 WeakPolarHBondContact O-CD1 3.29Å; D15-L20 WeakPolarHBondContact O-CG 3.28Å; D15-K152 IonicContact OD1-NZ 2.61Å; D15-K152 PolarHBondContact OD1-NZ 3.3Å; D15-F178 PolarHBondContact N-O 3.33Å; D15-E179 HydrophobicContact CB-CG 4.15Å | ||
| 16 | N | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -121.5 | -52.3 | -178.3 | -176.2 | 64.6 | 0 | 0 | 0 | 112.9 | L20 L21 L113 Y133 | N16-L20 PolarHBondContact O-N 2.92Å; N16-L21 PolarHBondContact O-N 3.49Å; N16-L113 HydrophobicContact CB-CD1 4.04Å; N16-L113 HydrophobicContact CB-CD2 3.98Å; N16-L113 HydrophobicContact CB-CG 4.3Å; N16-Y133 WeakPolarHBondContact OD1-CE1 3.28Å; N16-Y133 PolarHBondContact OD1-OH 3.13Å | ||
| 17 | D | 96.7 | Very high | 97.2 | Very high | 15 Ų | 15 | 24.4 Ų | 24.4 | 8% | 0.08 | 13% | 0.131 | C | C | . | . | B | Isolated β-bridge | trans | -85.5 | 124.9 | -166.3 | -73.7 | -69.9 | 0 | 0 | 0 | 109.2 | D15 L19 T23 T115 S117 K125 | D15-D17 PolarHBondContact OD2-N 2.9Å; D17-L19 PolarHBondContact O-N 3.4Å; D17-T23 WeakPolarHBondContact CA-OG1 3.35Å; D17-T23 WeakPolarHBondContact CB-OG1 3.4Å; D17-T23 WeakPolarHBondContact OD1-CB 3.3Å; D17-T23 WeakPolarHBondContact OD1-CG2 3.5Å; D17-T23 PolarHBondContact OD1-OG1 3.21Å; D17-T115 PolarHBondContact OD2-OG1 3.47Å; D17-S117 PolarHBondContact OD2-OG 3.25Å; D17-K125 WeakPolarHBondContact OD1-CD 3.43Å; D17-K125 WeakPolarHBondContact OD1-CE 3.41Å; D17-K125 IonicContact OD1-NZ 3.9Å; D17-K125 PolarHBondContact OD1-NZ 2.73Å; D17-K125 IonicContact OD2-NZ 2.78Å; D17-K125 PolarHBondContact OD2-NZ 3.13Å |
| 18 | G | 95.7 | Very high | 97.2 | Very high | 9 Ų | 9 | 21.4 Ų | 21.4 | 9% | 0.093 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -22.3 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | L21 | G18-L21 WeakPolarHBondContact CA-O 3.27Å; G18-L21 PolarHBondContact N-O 3.42Å |
| 19 | L | 98.1 | Very high | 97.2 | Very high | 2 Ų | 2 | 20.3 Ų | 20.3 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -101.4 | -59.1 | -179.7 | 178.1 | 71.9 | 0 | 0 | 0 | 114.7 | F14 D15 D17 M94 F178 D180 V198 L218 | F14-L19 HydrophobicContact CD1-CD2 4.33Å; D15-L19 HydrophobicContact CB-CD2 4.03Å; D17-L19 PolarHBondContact O-N 3.4Å; L19-M94 WeakPolarHBondContact O-CB 3.44Å; L19-M94 WeakPolarHBondContact O-CG 3.45Å; L19-F178 HydrophobicContact CD1-CB 4.27Å; L19-F178 HydrophobicContact CD2-CB 3.56Å; L19-F178 WeakPolarHBondContact CD2-O 3.29Å; L19-F178 HydrophobicContact CG-CB 4.46Å; L19-D180 HydrophobicContact CB-CB 4.35Å; L19-V198 HydrophobicContact CD1-CB 4Å; L19-V198 HydrophobicContact CD1-CG2 4.12Å; L19-L218 HydrophobicContact CD1-CD1 4.49Å; L19-L218 HydrophobicContact CD1-CD2 4.19Å |
| 20 | L | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | -35.7 | -179.7 | -67.4 | -176.1 | 0 | 0 | 0 | 110.7 | F14 D15 N16 L93 M94 A97 I101 L113 F136 L218 | F14-L20 HydrophobicContact CB-CD1 3.77Å; F14-L20 HydrophobicContact CB-CG 4.32Å; F14-L20 HydrophobicContact CD1-CD1 4.36Å; F14-L20 HydrophobicContact CD1-CD2 3.82Å; F14-L20 HydrophobicContact CD1-CG 4.34Å; F14-L20 HydrophobicContact CE1-CD2 4.34Å; F14-L20 HydrophobicContact CG-CD1 4.18Å; F14-L20 HydrophobicContact CG-CD2 4.45Å; D15-L20 WeakPolarHBondContact O-CD1 3.29Å; D15-L20 WeakPolarHBondContact O-CG 3.28Å; N16-L20 PolarHBondContact O-N 2.92Å; L20-L93 CarbonylContact O-C 3.57Å; L20-L93 WeakPolarHBondContact O-CA 3.48Å; L20-M94 PolarHBondContact O-N 2.84Å; L20-A97 HydrophobicContact CD2-CB 3.88Å; L20-I101 HydrophobicContact CD1-CD1 4.07Å; L20-I101 HydrophobicContact CD2-CD1 4.04Å; L20-L113 HydrophobicContact CD1-CD1 4.02Å; L20-F136 HydrophobicContact CD1-CZ 3.83Å; L20-L218 HydrophobicContact CD2-CD1 4.16Å |
| 21 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.089 | C | C | . | . | B | Isolated β-bridge | trans | -116.3 | 139.4 | 174.6 | -62.5 | 174.5 | 0 | 0 | 0 | 110.9 | N16 G18 T23 Q92 L93 K125 T126 Y133 | N16-L21 PolarHBondContact O-N 3.49Å; G18-L21 WeakPolarHBondContact CA-O 3.27Å; G18-L21 PolarHBondContact N-O 3.42Å; L21-T23 HydrophobicContact CB-CG2 3.84Å; L21-T23 HydrophobicContact CD1-CG2 4.47Å; L21-T23 PolarHBondContact O-N 2.97Å; L21-Q92 CarbonylContact C-O 3.56Å; L21-Q92 WeakPolarHBondContact CA-O 3.49Å; L21-L93 HydrophobicContact CD2-CD2 3.84Å; L21-L93 HydrophobicContact CD2-CG 4.36Å; L21-K125 HydrophobicContact CD1-CB 3.81Å; L21-T126 HydrophobicContact CD1-CG2 4.18Å; L21-Y133 WeakPolarHBondContact CD1-OH 3.49Å; L21-Y133 VanDerWaalsContact CG-OH 3.24Å; L21-Y133 WeakPolarHBondContact CG-OH 3.44Å |
| 22 | N | 96.7 | Very high | 96.9 | Very high | 58 Ų | 58 | 18.8 Ų | 18.8 | 31% | 0.31 | 9% | 0.094 | S | C | . | . | trans | -78.7 | 71 | 171.1 | -171.7 | 9.3 | 0 | 0 | 0 | 110.6 | Q92 M94 | N22-Q92 PolarHBondContact N-O 2.83Å; N22-M94 HydrophobicContact CB-SD 3.61Å | ||
| 23 | T | 96.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -97.1 | -18.8 | -179 | 45 | 0 | 0 | 0 | 0 | 113.4 | D17 L21 I25 F26 Y27 K125 | D17-T23 WeakPolarHBondContact CA-OG1 3.35Å; D17-T23 WeakPolarHBondContact CB-OG1 3.4Å; D17-T23 WeakPolarHBondContact OD1-CB 3.3Å; D17-T23 WeakPolarHBondContact OD1-CG2 3.5Å; D17-T23 PolarHBondContact OD1-OG1 3.21Å; L21-T23 HydrophobicContact CB-CG2 3.84Å; L21-T23 HydrophobicContact CD1-CG2 4.47Å; L21-T23 PolarHBondContact O-N 2.97Å; T23-I25 PolarHBondContact O-N 3.15Å; T23-I25 VanDerWaalsContact O-N 3.12Å; T23-F26 HydrophobicContact CG2-CD2 4.41Å; T23-F26 WeakPolarHBondContact O-CB 3.21Å; T23-F26 PolarHBondContact O-N 2.98Å; T23-Y27 WeakPolarHBondContact O-CD2 3.24Å; T23-Y27 PolarHBondContact O-N 3.37Å; T23-K125 HydrophobicContact CG2-CD 4.16Å; T23-K125 HydrophobicContact CG2-CG 4.16Å | ||
| 24 | E | 94 | Very high | 96.7 | Very high | 30 Ų | 30 | 25.9 Ų | 25.9 | 14% | 0.14 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.7 | -24.1 | -178.3 | -75.5 | -58.3 | 125.5 | 0 | 0 | 114.2 | E28 K48 | E24-E28 PolarHBondContact O-N 3.2Å; E24-K48 PolarHBondContact O-NZ 3.24Å; E24-K48 VanDerWaalsContact OE2-CE 3.24Å; E24-K48 WeakPolarHBondContact OE2-CE 3.49Å; E24-K48 IonicContact OE2-NZ 2.95Å |
| 25 | I | 94.2 | Very high | 96.6 | Very high | 71 Ų | 71 | 25.9 Ų | 25.9 | 36% | 0.364 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -68.9 | -37.4 | 173.1 | 55.7 | 168.2 | 0 | 0 | 0 | 112 | T23 E28 E29 | T23-I25 PolarHBondContact O-N 3.15Å; T23-I25 VanDerWaalsContact O-N 3.12Å; I25-E28 PolarHBondContact O-N 2.87Å; I25-E29 WeakPolarHBondContact O-CB 3.3Å; I25-E29 VanDerWaalsContact O-CG 3.29Å; I25-E29 WeakPolarHBondContact O-CG 3.44Å; I25-E29 PolarHBondContact O-N 2.97Å |
| 26 | F | 96.6 | Very high | 96.5 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.026 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -71.8 | -36.9 | -176.9 | -53.6 | -33.4 | 0 | 0 | 0 | 111.3 | T23 E29 A30 L84 R87 Y88 | T23-F26 HydrophobicContact CG2-CD2 4.41Å; T23-F26 WeakPolarHBondContact O-CB 3.21Å; T23-F26 PolarHBondContact O-N 2.98Å; F26-E29 PolarHBondContact O-N 2.79Å; F26-A30 VanDerWaalsContact O-CB 3.28Å; F26-A30 WeakPolarHBondContact O-CB 3.48Å; F26-A30 PolarHBondContact O-N 3.14Å; F26-L84 HydrophobicContact CB-CD2 3.9Å; F26-L84 WeakPolarHBondContact O-CD2 3.34Å; F26-R87 HydrophobicContact CB-CB 4.33Å; F26-R87 HydrophobicContact CD1-CB 4.01Å; F26-R87 HydrophobicContact CD2-CB 4.22Å; F26-R87 HydrophobicContact CE1-CB 4.38Å; F26-R87 HydrophobicContact CG-CB 3.94Å; F26-Y88 HydrophobicContact CD2-CD1 4.33Å |
| 27 | Y | 95.5 | Very high | 96.3 | Very high | 37 Ų | 37 | 37 Ų | 37 | 15% | 0.145 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.3 | -47.9 | 173.9 | -68 | -62.9 | 0 | 0 | 0 | 111.6 | T23 E29 A30 Y31 L84 Y88 K125 | T23-Y27 WeakPolarHBondContact O-CD2 3.24Å; T23-Y27 PolarHBondContact O-N 3.37Å; Y27-E29 VanDerWaalsContact C-N 3.34Å; Y27-E29 PolarHBondContact O-N 3.23Å; Y27-A30 PolarHBondContact O-N 3.29Å; Y27-Y31 HydrophobicContact CD1-CE1 4.31Å; Y27-Y31 WeakPolarHBondContact O-CB 3.44Å; Y27-Y31 WeakPolarHBondContact O-CD1 3.36Å; Y27-Y31 PolarHBondContact O-N 3.22Å; Y27-L84 HydrophobicContact CD1-CD1 3.92Å; Y27-L84 HydrophobicContact CD1-CD2 3.79Å; Y27-L84 HydrophobicContact CE1-CD1 3.87Å; Y27-L84 HydrophobicContact CE1-CD2 4.03Å; Y27-L84 HydrophobicContact CG-CD2 4.41Å; Y27-Y88 HydrophobicContact CE1-CE1 4.48Å; Y27-Y88 VanDerWaalsContact CE1-OH 3.3Å; Y27-Y88 WeakPolarHBondContact CE1-OH 3.43Å; Y27-Y88 PolarHBondContact OH-OH 2.94Å; Y27-Y88 VanDerWaalsContact OH-OH 3.05Å; Y27-K125 WeakPolarHBondContact OH-CE 3.34Å; Y27-K125 PolarHBondContact OH-NZ 3.45Å |
| 28 | E | 95 | Very high | 96.3 | Very high | 50 Ų | 50 | 39.8 Ų | 39.8 | 23% | 0.234 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.3 | -43 | 177.8 | -179.2 | 163 | 173.7 | 0 | 0 | 111.8 | E24 I25 N32 F43 K48 R202 | E24-E28 PolarHBondContact O-N 3.2Å; I25-E28 PolarHBondContact O-N 2.87Å; E28-N32 VanDerWaalsContact O-CB 3.26Å; E28-N32 WeakPolarHBondContact O-CB 3.38Å; E28-N32 PolarHBondContact O-N 3.1Å; E28-N32 PolarHBondContact O-ND2 3.43Å; E28-F43 HydrophobicContact CB-CD1 4.31Å; E28-F43 HydrophobicContact CG-CD1 4.11Å; E28-K48 IonicContact OE2-NZ 3.78Å; E28-K48 PolarHBondContact OE2-NZ 3.07Å; E28-R202 IonicContact OE1-NH1 2.88Å; E28-R202 IonicContact OE2-NH1 2.67Å; E28-R202 IonicContact OE2-NH2 2.77Å |
| 29 | E | 96.4 | Very high | 96.4 | Very high | 76 Ų | 76 | 42.5 Ų | 42.5 | 36% | 0.355 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -63.4 | -45 | 174.2 | -72.5 | 172.6 | 151.6 | 0 | 0 | 112.5 | I25 F26 Y27 Y31 R33 Y83 | I25-E29 WeakPolarHBondContact O-CB 3.3Å; I25-E29 VanDerWaalsContact O-CG 3.29Å; I25-E29 WeakPolarHBondContact O-CG 3.44Å; I25-E29 PolarHBondContact O-N 2.97Å; F26-E29 PolarHBondContact O-N 2.79Å; Y27-E29 VanDerWaalsContact C-N 3.34Å; Y27-E29 PolarHBondContact O-N 3.23Å; E29-Y31 PolarHBondContact O-N 3Å; E29-R33 WeakPolarHBondContact O-CG 3.46Å; E29-R33 PolarHBondContact O-N 3.14Å; E29-R33 VanDerWaalsContact O-N 3.13Å; E29-Y83 HydrophobicContact CB-CE1 3.59Å; E29-Y83 WeakPolarHBondContact CB-OH 3.17Å; E29-Y83 PolarHBondContact OE2-OH 3.34Å |
| 30 | A | 96.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -60.8 | -46 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | F26 Y27 R33 T80 Y83 L84 | F26-A30 VanDerWaalsContact O-CB 3.28Å; F26-A30 WeakPolarHBondContact O-CB 3.48Å; F26-A30 PolarHBondContact O-N 3.14Å; Y27-A30 PolarHBondContact O-N 3.29Å; A30-R33 PolarHBondContact O-N 3.38Å; A30-T80 HydrophobicContact CB-CG2 4.28Å; A30-Y83 HydrophobicContact CB-CD1 3.65Å; A30-Y83 HydrophobicContact CB-CE1 4.25Å; A30-L84 HydrophobicContact CB-CD1 4.28Å; A30-L84 HydrophobicContact CB-CD2 3.88Å; A30-L84 HydrophobicContact CB-CG 3.84Å |
| 31 | Y | 96.8 | Very high | 96 | Very high | 7 Ų | 7 | 49 Ų | 49 | 3% | 0.027 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.6 | -41.5 | -174.2 | -73.9 | 36.5 | 0 | 0 | 0 | 109.6 | Y27 E29 R33 V34 I35 F43 L60 A63 T80 | Y27-Y31 HydrophobicContact CD1-CE1 4.31Å; Y27-Y31 WeakPolarHBondContact O-CB 3.44Å; Y27-Y31 WeakPolarHBondContact O-CD1 3.36Å; Y27-Y31 PolarHBondContact O-N 3.22Å; E29-Y31 PolarHBondContact O-N 3Å; Y31-R33 VanDerWaalsContact C-N 3.29Å; Y31-R33 PolarHBondContact O-N 3.02Å; Y31-V34 PolarHBondContact O-N 3Å; Y31-I35 WeakPolarHBondContact O-CD1 3.19Å; Y31-I35 VanDerWaalsContact O-CG1 3.28Å; Y31-I35 WeakPolarHBondContact O-CG1 3.33Å; Y31-I35 PolarHBondContact O-N 3.28Å; Y31-F43 AromaticContact CD2-CD2 3.88Å; Y31-F43 HydrophobicContact CD2-CD2 3.88Å; Y31-F43 AromaticContact CD2-CE2 3.48Å; Y31-F43 HydrophobicContact CD2-CE2 3.48Å; Y31-F43 VanDerWaalsContact CD2-CE2 3.48Å; Y31-F43 AromaticContact CD2-CZ 3.85Å; Y31-F43 HydrophobicContact CD2-CZ 3.85Å; Y31-F43 HydrophobicContact CE2-CE2 4.2Å; Y31-F43 HydrophobicContact CE2-CZ 4.34Å; Y31-F43 HydrophobicContact CG-CD2 4.37Å; Y31-F43 HydrophobicContact CG-CE2 4.32Å; Y31-L60 HydrophobicContact CD1-CD2 4.11Å; Y31-L60 HydrophobicContact CD2-CD2 4.43Å; Y31-L60 HydrophobicContact CE1-CD2 3.44Å; Y31-L60 VanDerWaalsContact CE1-CD2 3.44Å; Y31-L60 HydrophobicContact CE2-CD2 3.77Å; Y31-L60 WeakPolarHBondContact OH-CD2 3.47Å; Y31-A63 HydrophobicContact CD2-CB 4.21Å; Y31-A63 HydrophobicContact CE2-CB 4.39Å; Y31-T80 HydrophobicContact CD1-CG2 4.15Å; Y31-T80 HydrophobicContact CE1-CG2 4.41Å |
| 32 | N | 96.6 | Very high | 95.9 | Very high | 25 Ų | 25 | 54.6 Ų | 54.6 | 13% | 0.134 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.1 | -39.7 | 173.9 | -90 | -53.4 | 0 | 0 | 0 | 112.9 | E28 V34 K36 E42 F43 | E28-N32 VanDerWaalsContact O-CB 3.26Å; E28-N32 WeakPolarHBondContact O-CB 3.38Å; E28-N32 PolarHBondContact O-N 3.1Å; E28-N32 PolarHBondContact O-ND2 3.43Å; N32-V34 VanDerWaalsContact C-N 3.34Å; N32-V34 PolarHBondContact O-N 3.45Å; N32-K36 WeakPolarHBondContact O-CB 3.41Å; N32-K36 VanDerWaalsContact O-CG 3.24Å; N32-K36 WeakPolarHBondContact O-CG 3.44Å; N32-K36 PolarHBondContact O-N 3.4Å; N32-E42 WeakPolarHBondContact OD1-CA 3.21Å; N32-E42 WeakPolarHBondContact OD1-CB 3.17Å; N32-F43 PolarHBondContact OD1-N 2.98Å |
| 33 | R | 96 | Very high | 95.8 | Very high | 146 Ų | 146 | 52.4 Ų | 52.4 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -58 | -46.2 | 177.5 | -75.9 | 170.9 | 175.5 | -142.7 | -3.3 | 111.8 | E29 A30 Y31 R37 | E29-R33 WeakPolarHBondContact O-CG 3.46Å; E29-R33 PolarHBondContact O-N 3.14Å; E29-R33 VanDerWaalsContact O-N 3.13Å; A30-R33 PolarHBondContact O-N 3.38Å; Y31-R33 VanDerWaalsContact C-N 3.29Å; Y31-R33 PolarHBondContact O-N 3.02Å; R33-R37 WeakPolarHBondContact O-CB 3.49Å; R33-R37 PolarHBondContact O-N 3.31Å |
| 34 | V | 96.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.024 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -72.5 | -46.5 | -178.8 | -171.9 | 0 | 0 | 0 | 0 | 111.1 | Y31 N32 K36 R37 Y38 L69 I71 M76 E79 T80 | Y31-V34 PolarHBondContact O-N 3Å; N32-V34 VanDerWaalsContact C-N 3.34Å; N32-V34 PolarHBondContact O-N 3.45Å; V34-K36 PolarHBondContact O-N 2.96Å; V34-R37 WeakPolarHBondContact O-CB 3.43Å; V34-R37 PolarHBondContact O-N 3.31Å; V34-Y38 HydrophobicContact CG1-CD2 4.13Å; V34-Y38 HydrophobicContact CG1-CE2 3.89Å; V34-Y38 WeakPolarHBondContact O-CD2 3.44Å; V34-Y38 PolarHBondContact O-N 3.49Å; V34-L69 HydrophobicContact CG1-CD1 4.49Å; V34-I71 HydrophobicContact CG1-CD1 4.44Å; V34-M76 HydrophobicContact CB-CE 4.1Å; V34-M76 HydrophobicContact CB-SD 3.93Å; V34-M76 HydrophobicContact CG1-CE 4.34Å; V34-M76 HydrophobicContact CG1-SD 3.56Å; V34-M76 VanDerWaalsContact CG1-SD 3.56Å; V34-M76 HydrophobicContact CG2-CE 4.31Å; V34-M76 HydrophobicContact CG2-SD 4.09Å; V34-E79 HydrophobicContact CG2-CB 4.17Å; V34-T80 HydrophobicContact CG2-CG2 4.01Å |
| 35 | I | 96.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | -178.9 | -65.5 | 163.9 | 0 | 0 | 0 | 111 | Y31 R37 Y38 G39 K40 G41 F43 F67 L69 | Y31-I35 WeakPolarHBondContact O-CD1 3.19Å; Y31-I35 VanDerWaalsContact O-CG1 3.28Å; Y31-I35 WeakPolarHBondContact O-CG1 3.33Å; Y31-I35 PolarHBondContact O-N 3.28Å; I35-R37 VanDerWaalsContact C-N 3.34Å; I35-R37 PolarHBondContact O-N 2.94Å; I35-Y38 PolarHBondContact O-N 2.9Å; I35-G39 PolarHBondContact O-N 3.02Å; I35-K40 HydrophobicContact CG2-CB 4.01Å; I35-K40 PolarHBondContact O-N 3.44Å; I35-K40 VanDerWaalsContact O-N 3.14Å; I35-G41 WeakPolarHBondContact CG2-O 3.44Å; I35-F43 HydrophobicContact CD1-CB 3.87Å; I35-F43 HydrophobicContact CD1-CD2 3.91Å; I35-F43 HydrophobicContact CD1-CG 4.37Å; I35-F67 HydrophobicContact CD1-CD1 4.48Å; I35-F67 HydrophobicContact CD1-CD2 3.74Å; I35-F67 HydrophobicContact CD1-CE1 4.44Å; I35-F67 HydrophobicContact CD1-CE2 3.71Å; I35-F67 HydrophobicContact CD1-CG 4.15Å; I35-F67 HydrophobicContact CD1-CZ 4.08Å; I35-F67 HydrophobicContact CG1-CD2 4.22Å; I35-F67 HydrophobicContact CG1-CG 4.26Å; I35-F67 HydrophobicContact CG2-CD1 3.9Å; I35-F67 HydrophobicContact CG2-CE1 4.29Å; I35-F67 HydrophobicContact CG2-CG 4.19Å; I35-L69 HydrophobicContact CG1-CD1 4.18Å; I35-L69 HydrophobicContact CG1-CD2 4.38Å |
| 36 | K | 96 | Very high | 95.7 | Very high | 110 Ų | 110 | 59.8 Ų | 59.8 | 48% | 0.478 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.4 | -37.3 | 178.9 | -74.4 | 179.8 | 175.8 | -173.2 | 0 | 112.4 | N32 V34 Y38 G39 G41 E42 | N32-K36 WeakPolarHBondContact O-CB 3.41Å; N32-K36 VanDerWaalsContact O-CG 3.24Å; N32-K36 WeakPolarHBondContact O-CG 3.44Å; N32-K36 PolarHBondContact O-N 3.4Å; V34-K36 PolarHBondContact O-N 2.96Å; K36-Y38 PolarHBondContact O-N 2.92Å; K36-G39 PolarHBondContact O-N 3.11Å; K36-G41 VanDerWaalsContact CG-O 3.31Å; K36-G41 WeakPolarHBondContact CG-O 3.38Å; K36-E42 WeakPolarHBondContact CE-OE1 3.16Å; K36-E42 IonicContact NZ-OE1 3.16Å; K36-E42 PolarHBondContact NZ-OE1 3.16Å |
| 37 | R | 95.2 | Very high | 95.6 | Very high | 130 Ų | 130 | 59.5 Ų | 59.5 | 49% | 0.491 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -58.7 | -36 | 177.7 | -174.1 | -176.3 | 70.6 | 179.9 | 3.4 | 112.5 | R33 V34 I35 G39 E79 | R33-R37 WeakPolarHBondContact O-CB 3.49Å; R33-R37 PolarHBondContact O-N 3.31Å; V34-R37 WeakPolarHBondContact O-CB 3.43Å; V34-R37 PolarHBondContact O-N 3.31Å; I35-R37 VanDerWaalsContact C-N 3.34Å; I35-R37 PolarHBondContact O-N 2.94Å; R37-G39 VanDerWaalsContact C-N 3.28Å; R37-E79 VanDerWaalsContact CZ-CD 3.48Å; R37-E79 IonicContact CZ-OE1 3.78Å; R37-E79 IonicContact CZ-OE2 3.72Å; R37-E79 IonicContact NE-OE2 3.49Å; R37-E79 IonicContact NH1-OE1 2.75Å; R37-E79 PolarHBondContact NH1-OE1 2.93Å; R37-E79 IonicContact NH1-OE2 3.99Å; R37-E79 PolarHBondContact NH1-OE2 3.01Å; R37-E79 IonicContact NH2-OE1 2.7Å; R37-E79 PolarHBondContact NH2-OE1 3.19Å; R37-E79 IonicContact NH2-OE2 3Å; R37-E79 PolarHBondContact NH2-OE2 2.83Å |
| 38 | Y | 96.5 | Very high | 95.6 | Very high | 73 Ų | 73 | 58.1 Ų | 58.1 | 29% | 0.286 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 4.8 | 175.9 | -70.1 | -70.8 | 0 | 0 | 0 | 113.9 | V34 I35 K36 K40 L69 P70 I71 | V34-Y38 HydrophobicContact CG1-CD2 4.13Å; V34-Y38 HydrophobicContact CG1-CE2 3.89Å; V34-Y38 WeakPolarHBondContact O-CD2 3.44Å; V34-Y38 PolarHBondContact O-N 3.49Å; I35-Y38 PolarHBondContact O-N 2.9Å; K36-Y38 PolarHBondContact O-N 2.92Å; Y38-K40 PolarHBondContact O-N 2.86Å; Y38-L69 HydrophobicContact CD2-CD2 4.3Å; Y38-P70 HydrophobicContact CD1-CG 3.53Å; Y38-P70 HydrophobicContact CE1-CG 3.62Å; Y38-P70 HydrophobicContact CG-CG 4.26Å; Y38-I71 HydrophobicContact CE2-CB 4.13Å; Y38-I71 HydrophobicContact CE2-CD1 4.16Å; Y38-I71 HydrophobicContact CE2-CG2 4.4Å |
| 39 | G | 96.6 | Very high | 95.4 | Very high | 67 Ų | 67 | 58.3 Ų | 58.3 | 69% | 0.691 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.4 | 27.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | I35 K36 R37 | I35-G39 PolarHBondContact O-N 3.02Å; K36-G39 PolarHBondContact O-N 3.11Å; R37-G39 VanDerWaalsContact C-N 3.28Å |
| 40 | K | 95.7 | Very high | 95.2 | Very high | 97 Ų | 97 | 58.7 Ų | 58.7 | 42% | 0.422 | 29% | 0.285 | S | S | . | . | trans | -96.1 | 14.9 | -175.3 | -63.1 | -63.2 | -168.4 | 175.8 | 0 | 114 | I35 Y38 F67 L69 | I35-K40 HydrophobicContact CG2-CB 4.01Å; I35-K40 PolarHBondContact O-N 3.44Å; I35-K40 VanDerWaalsContact O-N 3.14Å; Y38-K40 PolarHBondContact O-N 2.86Å; K40-F67 HydrophobicContact CB-CB 4.32Å; K40-L69 HydrophobicContact CB-CD2 3.96Å; K40-L69 HydrophobicContact CG-CD2 3.83Å | ||
| 41 | G | 94.2 | Very high | 95 | Very high | 42 Ų | 42 | 59.3 Ų | 59.3 | 43% | 0.433 | 29% | 0.288 | S | S | . | . | trans | 94.7 | -137 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I35 K36 | I35-G41 WeakPolarHBondContact CG2-O 3.44Å; K36-G41 VanDerWaalsContact CG-O 3.31Å; K36-G41 WeakPolarHBondContact CG-O 3.38Å | ||
| 42 | E | 94.8 | Very high | 94.6 | Very high | 116 Ų | 116 | 59.4 Ų | 59.4 | 54% | 0.542 | 29% | 0.289 | S | S | . | . | trans | -132.1 | 152.4 | -175.2 | -54.6 | -161.9 | 141.4 | 0 | 0 | 111.1 | N32 K36 T44 F67 | N32-E42 WeakPolarHBondContact OD1-CA 3.21Å; N32-E42 WeakPolarHBondContact OD1-CB 3.17Å; K36-E42 WeakPolarHBondContact CE-OE1 3.16Å; K36-E42 IonicContact NZ-OE1 3.16Å; K36-E42 PolarHBondContact NZ-OE1 3.16Å; E42-T44 PolarHBondContact O-N 3.35Å; E42-F67 VanDerWaalsContact O-CE1 3.22Å; E42-F67 WeakPolarHBondContact O-CE1 3.44Å; E42-F67 WeakPolarHBondContact O-CZ 3.43Å | ||
| 43 | F | 95.7 | Very high | 94 | Very high | 13 Ų | 13 | 59.1 Ų | 59.1 | 6% | 0.057 | 29% | 0.292 | C | S | . | . | trans | -63.6 | 117.6 | 174.4 | -172.9 | -117.3 | 0 | 0 | 0 | 110 | E28 Y31 N32 I35 M47 K48 F67 | E28-F43 HydrophobicContact CB-CD1 4.31Å; E28-F43 HydrophobicContact CG-CD1 4.11Å; Y31-F43 AromaticContact CD2-CD2 3.88Å; Y31-F43 HydrophobicContact CD2-CD2 3.88Å; Y31-F43 AromaticContact CD2-CE2 3.48Å; Y31-F43 HydrophobicContact CD2-CE2 3.48Å; Y31-F43 VanDerWaalsContact CD2-CE2 3.48Å; Y31-F43 AromaticContact CD2-CZ 3.85Å; Y31-F43 HydrophobicContact CD2-CZ 3.85Å; Y31-F43 HydrophobicContact CE2-CE2 4.2Å; Y31-F43 HydrophobicContact CE2-CZ 4.34Å; Y31-F43 HydrophobicContact CG-CD2 4.37Å; Y31-F43 HydrophobicContact CG-CE2 4.32Å; N32-F43 PolarHBondContact OD1-N 2.98Å; I35-F43 HydrophobicContact CD1-CB 3.87Å; I35-F43 HydrophobicContact CD1-CD2 3.91Å; I35-F43 HydrophobicContact CD1-CG 4.37Å; F43-M47 HydrophobicContact CD2-CB 4.18Å; F43-M47 HydrophobicContact CD2-CG 4.04Å; F43-M47 HydrophobicContact CE2-CB 3.7Å; F43-M47 HydrophobicContact CE2-CG 3.32Å; F43-M47 HydrophobicContact CZ-CB 4.17Å; F43-M47 HydrophobicContact CZ-CG 4.02Å; F43-K48 HydrophobicContact CE1-CB 3.65Å; F43-K48 HydrophobicContact CE1-CD 4.33Å; F43-K48 HydrophobicContact CE1-CG 4.15Å; F43-K48 HydrophobicContact CZ-CB 4.04Å; F43-F67 HydrophobicContact CD2-CE2 4.22Å | ||
| 44 | T | 94.7 | Very high | 93.7 | Very high | 58 Ų | 58 | 56.3 Ų | 56.3 | 36% | 0.356 | 28% | 0.281 | S | S | . | . | trans | -86.4 | 153.9 | -171.7 | 64.5 | 0 | 0 | 0 | 0 | 112.1 | E42 E46 M47 K48 F67 | E42-T44 PolarHBondContact O-N 3.35Å; T44-E46 VanDerWaalsContact C-N 3.29Å; T44-E46 PolarHBondContact O-N 3.04Å; T44-M47 WeakPolarHBondContact O-CB 3.33Å; T44-M47 PolarHBondContact O-N 3.45Å; T44-M47 VanDerWaalsContact O-N 3.13Å; T44-M47 VanDerWaalsContact OG1-CB 3.32Å; T44-M47 WeakPolarHBondContact OG1-CB 3.34Å; T44-M47 PolarHBondContact OG1-N 2.93Å; T44-K48 PolarHBondContact O-N 2.94Å; T44-F67 HydrophobicContact CG2-CE1 4.38Å; T44-F67 HydrophobicContact CG2-CZ 4.14Å | ||
| 45 | W | 94 | Very high | 93.3 | Very high | 69 Ų | 69 | 57.8 Ų | 57.8 | 26% | 0.261 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59 | -40.4 | 173.1 | 174.1 | -123.2 | 0 | 0 | 0 | 112.7 | M47 K48 L49 D200 R202 M203 | W45-M47 VanDerWaalsContact C-N 3.27Å; W45-M47 PolarHBondContact O-N 3.3Å; W45-K48 HydrophobicContact CE3-CB 4.05Å; W45-K48 HydrophobicContact CE3-CD 4.02Å; W45-K48 HydrophobicContact CE3-CG 4.25Å; W45-K48 HydrophobicContact CZ3-CB 4.29Å; W45-K48 HydrophobicContact CZ3-CD 3.83Å; W45-K48 HydrophobicContact CZ3-CG 4.02Å; W45-K48 WeakPolarHBondContact O-CB 3.25Å; W45-K48 PolarHBondContact O-N 3.3Å; W45-L49 HydrophobicContact CD2-CD1 4.35Å; W45-L49 HydrophobicContact CD2-CG 4.14Å; W45-L49 HydrophobicContact CH2-CD2 3.63Å; W45-L49 HydrophobicContact CH2-CG 3.94Å; W45-L49 HydrophobicContact CZ2-CD1 3.8Å; W45-L49 HydrophobicContact CZ2-CD2 3.39Å; W45-L49 HydrophobicContact CZ2-CG 3.53Å; W45-L49 HydrophobicContact CZ3-CD2 4.47Å; W45-L49 HydrophobicContact CZ3-CG 4.44Å; W45-L49 PolarHBondContact O-N 3.15Å; W45-D200 HydrophobicContact CH2-CB 3.74Å; W45-D200 HydrophobicContact CZ3-CB 4.38Å; W45-R202 HydrophobicContact CD2-CB 4.18Å; W45-R202 VanDerWaalsContact CE3-CZ 3.45Å; W45-R202 HydrophobicContact CH2-CB 4.04Å; W45-R202 HydrophobicContact CZ2-CB 3.58Å; W45-R202 HydrophobicContact CZ3-CB 4.47Å; W45-R202 PolarHBondContact NE1-O 3.24Å; W45-M203 HydrophobicContact CZ2-CB 4.26Å |
| 46 | E | 93.5 | Very high | 93.1 | Very high | 129 Ų | 129 | 58.9 Ų | 58.9 | 60% | 0.603 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -60 | -39.8 | 175.4 | -176.5 | -178.8 | 172.8 | 0 | 0 | 111.7 | T44 R50 | T44-E46 VanDerWaalsContact C-N 3.29Å; T44-E46 PolarHBondContact O-N 3.04Å; E46-R50 PolarHBondContact O-N 3.49Å |
| 47 | M | 94.5 | Very high | 93 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65.8 | -44.4 | 176.3 | -167.6 | 64.6 | -168.2 | 0 | 0 | 111.7 | F43 T44 W45 L49 R50 Q51 M62 A63 E66 F67 | F43-M47 HydrophobicContact CD2-CB 4.18Å; F43-M47 HydrophobicContact CD2-CG 4.04Å; F43-M47 HydrophobicContact CE2-CB 3.7Å; F43-M47 HydrophobicContact CE2-CG 3.32Å; F43-M47 HydrophobicContact CZ-CB 4.17Å; F43-M47 HydrophobicContact CZ-CG 4.02Å; T44-M47 WeakPolarHBondContact O-CB 3.33Å; T44-M47 PolarHBondContact O-N 3.45Å; T44-M47 VanDerWaalsContact O-N 3.13Å; T44-M47 VanDerWaalsContact OG1-CB 3.32Å; T44-M47 WeakPolarHBondContact OG1-CB 3.34Å; T44-M47 PolarHBondContact OG1-N 2.93Å; W45-M47 VanDerWaalsContact C-N 3.27Å; W45-M47 PolarHBondContact O-N 3.3Å; M47-L49 PolarHBondContact O-N 3.43Å; M47-R50 PolarHBondContact O-N 3.5Å; M47-R50 PolarHBondContact SD-NH2 3.03Å; M47-Q51 HydrophobicContact CE-CG 3.97Å; M47-Q51 WeakPolarHBondContact O-CG 3.47Å; M47-Q51 PolarHBondContact O-N 2.84Å; M47-Q51 VanDerWaalsContact O-N 3.14Å; M47-M62 HydrophobicContact CE-CB 3.29Å; M47-M62 HydrophobicContact CE-CE 4.37Å; M47-M62 VanDerWaalsContact CE-O 3.28Å; M47-M62 WeakPolarHBondContact CE-O 3.29Å; M47-A63 HydrophobicContact CE-CB 4.26Å; M47-A63 VanDerWaalsContact CE-N 3.28Å; M47-E66 HydrophobicContact CE-CB 4.31Å; M47-E66 HydrophobicContact SD-CB 4.01Å; M47-E66 HydrophobicContact SD-CG 3.95Å; M47-F67 HydrophobicContact CB-CE2 4.42Å; M47-F67 HydrophobicContact CG-CE2 4.12Å |
| 48 | K | 94.4 | Very high | 92.9 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 3% | 0.03 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -55.1 | -51.6 | 175.9 | -173.4 | 161.9 | 176.5 | 160.9 | 0 | 111.3 | E24 E28 F43 T44 W45 R50 Q51 M52 | E24-K48 PolarHBondContact O-NZ 3.24Å; E24-K48 VanDerWaalsContact OE2-CE 3.24Å; E24-K48 WeakPolarHBondContact OE2-CE 3.49Å; E24-K48 IonicContact OE2-NZ 2.95Å; E28-K48 IonicContact OE2-NZ 3.78Å; E28-K48 PolarHBondContact OE2-NZ 3.07Å; F43-K48 HydrophobicContact CE1-CB 3.65Å; F43-K48 HydrophobicContact CE1-CD 4.33Å; F43-K48 HydrophobicContact CE1-CG 4.15Å; F43-K48 HydrophobicContact CZ-CB 4.04Å; T44-K48 PolarHBondContact O-N 2.94Å; W45-K48 HydrophobicContact CE3-CB 4.05Å; W45-K48 HydrophobicContact CE3-CD 4.02Å; W45-K48 HydrophobicContact CE3-CG 4.25Å; W45-K48 HydrophobicContact CZ3-CB 4.29Å; W45-K48 HydrophobicContact CZ3-CD 3.83Å; W45-K48 HydrophobicContact CZ3-CG 4.02Å; W45-K48 WeakPolarHBondContact O-CB 3.25Å; W45-K48 PolarHBondContact O-N 3.3Å; K48-R50 VanDerWaalsContact C-N 3.28Å; K48-R50 PolarHBondContact O-N 3.43Å; K48-Q51 PolarHBondContact O-N 3.27Å; K48-M52 HydrophobicContact CG-CG 4.36Å; K48-M52 HydrophobicContact CG-SD 4.38Å; K48-M52 WeakPolarHBondContact O-CG 3.45Å; K48-M52 PolarHBondContact O-N 2.88Å |
| 49 | L | 91.9 | Very high | 92.9 | Very high | 54 Ų | 54 | 51 Ų | 51 | 28% | 0.283 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -55.6 | -40.9 | 178 | -78 | 177 | 0 | 0 | 0 | 113.2 | W45 M47 Q51 M52 M203 | W45-L49 HydrophobicContact CD2-CD1 4.35Å; W45-L49 HydrophobicContact CD2-CG 4.14Å; W45-L49 HydrophobicContact CH2-CD2 3.63Å; W45-L49 HydrophobicContact CH2-CG 3.94Å; W45-L49 HydrophobicContact CZ2-CD1 3.8Å; W45-L49 HydrophobicContact CZ2-CD2 3.39Å; W45-L49 HydrophobicContact CZ2-CG 3.53Å; W45-L49 HydrophobicContact CZ3-CD2 4.47Å; W45-L49 HydrophobicContact CZ3-CG 4.44Å; W45-L49 PolarHBondContact O-N 3.15Å; M47-L49 PolarHBondContact O-N 3.43Å; L49-Q51 VanDerWaalsContact C-N 3.29Å; L49-Q51 PolarHBondContact O-N 2.94Å; L49-M52 HydrophobicContact CD2-SD 4.3Å; L49-M203 HydrophobicContact CD2-CE 3.72Å; L49-M203 HydrophobicContact CD2-CG 4.08Å |
| 50 | R | 90.9 | Very high | 92.9 | Very high | 84 Ų | 84 | 47.8 Ų | 47.8 | 32% | 0.317 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.5 | -25.7 | 178.6 | -75 | -170.3 | -72.7 | 148.6 | -10.4 | 113.3 | E46 M47 K48 R54 M62 E66 | E46-R50 PolarHBondContact O-N 3.49Å; M47-R50 PolarHBondContact O-N 3.5Å; M47-R50 PolarHBondContact SD-NH2 3.03Å; K48-R50 VanDerWaalsContact C-N 3.28Å; K48-R50 PolarHBondContact O-N 3.43Å; R50-R54 WeakPolarHBondContact O-CD 3.44Å; R50-R54 PolarHBondContact O-NE 3.36Å; R50-M62 HydrophobicContact CB-CE 3.78Å; R50-E66 IonicContact CZ-OE2 3.52Å; R50-E66 IonicContact NH1-OE2 3.08Å; R50-E66 PolarHBondContact NH1-OE2 2.76Å; R50-E66 VanDerWaalsContact NH1-OE2 3.08Å; R50-E66 IonicContact NH2-OE1 3.67Å; R50-E66 IonicContact NH2-OE2 2.74Å; R50-E66 PolarHBondContact NH2-OE2 3.14Å |
| 51 | Q | 92.7 | Very high | 93 | Very high | 15 Ų | 15 | 46.3 Ų | 46.3 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -91.1 | -29.8 | -177.2 | -71.4 | 179.5 | -3 | 0 | 0 | 114.3 | M47 K48 L49 G53 R54 A59 | M47-Q51 HydrophobicContact CE-CG 3.97Å; M47-Q51 WeakPolarHBondContact O-CG 3.47Å; M47-Q51 PolarHBondContact O-N 2.84Å; M47-Q51 VanDerWaalsContact O-N 3.14Å; K48-Q51 PolarHBondContact O-N 3.27Å; L49-Q51 VanDerWaalsContact C-N 3.29Å; L49-Q51 PolarHBondContact O-N 2.94Å; Q51-G53 PolarHBondContact O-N 3.49Å; Q51-R54 VanDerWaalsContact O-CB 3.24Å; Q51-R54 WeakPolarHBondContact O-CB 3.5Å; Q51-R54 WeakPolarHBondContact O-CG 3.24Å; Q51-R54 PolarHBondContact O-N 2.89Å; Q51-A59 HydrophobicContact CB-CB 3.94Å; Q51-A59 HydrophobicContact CG-CB 3.84Å; Q51-A59 PolarHBondContact NE2-O 3.46Å |
| 52 | M | 89 | Confident | 93.1 | Very high | 8 Ų | 8 | 46.2 Ų | 46.2 | 4% | 0.039 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | 133.8 | -175.9 | -74.3 | 171.2 | 76.9 | 0 | 0 | 112.4 | K48 L49 R54 D180 N183 M203 | K48-M52 HydrophobicContact CG-CG 4.36Å; K48-M52 HydrophobicContact CG-SD 4.38Å; K48-M52 WeakPolarHBondContact O-CG 3.45Å; K48-M52 PolarHBondContact O-N 2.88Å; L49-M52 HydrophobicContact CD2-SD 4.3Å; M52-R54 VanDerWaalsContact C-N 3.29Å; M52-R54 PolarHBondContact O-N 3.4Å; M52-D180 WeakPolarHBondContact CE-OD2 3.5Å; M52-N183 PolarHBondContact O-ND2 3Å; M52-M203 HydrophobicContact CE-CE 4.46Å |
| 53 | G | 83.2 | Confident | 93.2 | Very high | 19 Ų | 19 | 40.7 Ų | 40.7 | 20% | 0.196 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 2.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q51 | Q51-G53 PolarHBondContact O-N 3.49Š|
| 54 | R | 89.9 | Confident | 93.4 | Very high | 88 Ų | 88 | 40.7 Ų | 40.7 | 33% | 0.332 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -94 | 155 | 176.5 | -61.2 | -177.8 | 179.4 | -90.8 | -3.5 | 112.3 | R50 Q51 M52 | R50-R54 WeakPolarHBondContact O-CD 3.44Å; R50-R54 PolarHBondContact O-NE 3.36Å; Q51-R54 VanDerWaalsContact O-CB 3.24Å; Q51-R54 WeakPolarHBondContact O-CB 3.5Å; Q51-R54 WeakPolarHBondContact O-CG 3.24Å; Q51-R54 PolarHBondContact O-N 2.89Å; M52-R54 VanDerWaalsContact C-N 3.29Å; M52-R54 PolarHBondContact O-N 3.4Å |
| 55 | P | 88.9 | Confident | 93.5 | Very high | 34 Ų | 34 | 42.5 Ų | 42.5 | 22% | 0.221 | 20% | 0.204 | C | C | . | . | trans | -54.6 | 147.9 | 165.5 | -24.2 | 33.6 | 0 | 0 | 0 | 112.6 | E57 I58 A59 | P55-E57 VanDerWaalsContact C-N 3.34Å; P55-E57 PolarHBondContact O-N 3.09Å; P55-I58 HydrophobicContact CB-CD1 4.47Å; P55-I58 HydrophobicContact CB-CG1 4.45Å; P55-I58 HydrophobicContact CG-CD1 4.11Å; P55-I58 PolarHBondContact O-N 3.17Å; P55-A59 PolarHBondContact O-N 3.42Å | ||
| 56 | Q | 93.2 | Very high | 93.6 | Very high | 24 Ų | 24 | 43.7 Ų | 43.7 | 11% | 0.112 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -54.3 | -46.9 | -177 | -179.9 | -172.7 | 22.5 | 0 | 0 | 112.4 | I58 A59 L60 D81 Y121 | Q56-I58 VanDerWaalsContact C-N 3.3Å; Q56-I58 PolarHBondContact O-N 3.13Å; Q56-A59 PolarHBondContact O-N 2.99Å; Q56-L60 HydrophobicContact CG-CD1 3.62Å; Q56-L60 HydrophobicContact CG-CG 4.05Å; Q56-L60 WeakPolarHBondContact O-CB 3.29Å; Q56-L60 WeakPolarHBondContact O-CG 3.35Å; Q56-L60 PolarHBondContact O-N 2.83Å; Q56-D81 PolarHBondContact NE2-OD1 3.03Å; Q56-Y121 VanDerWaalsContact OE1-CE2 3.24Å; Q56-Y121 PolarHBondContact OE1-OH 3.37Å |
| 57 | E | 94.1 | Very high | 93.8 | Very high | 62 Ų | 62 | 38.9 Ų | 38.9 | 29% | 0.29 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.9 | -43 | -177.2 | -67.3 | 84.6 | 170.2 | 0 | 0 | 111.4 | P55 Q61 L73 I77 K118 | P55-E57 VanDerWaalsContact C-N 3.34Å; P55-E57 PolarHBondContact O-N 3.09Å; E57-Q61 VanDerWaalsContact O-CB 3.28Å; E57-Q61 WeakPolarHBondContact O-CB 3.35Å; E57-Q61 PolarHBondContact O-N 3.47Å; E57-L73 HydrophobicContact CB-CD2 4.43Å; E57-I77 HydrophobicContact CG-CD1 4.08Å; E57-K118 WeakPolarHBondContact OE1-CE 3.36Å; E57-K118 IonicContact OE1-NZ 3.34Å; E57-K118 PolarHBondContact OE1-NZ 3.47Å |
| 58 | I | 93.4 | Very high | 93.9 | Very high | 81 Ų | 81 | 46.8 Ų | 46.8 | 42% | 0.415 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.7 | -47.1 | 177.1 | -60.9 | -178.1 | 0 | 0 | 0 | 109.4 | P55 Q56 L60 Q61 M62 | P55-I58 HydrophobicContact CB-CD1 4.47Å; P55-I58 HydrophobicContact CB-CG1 4.45Å; P55-I58 HydrophobicContact CG-CD1 4.11Å; P55-I58 PolarHBondContact O-N 3.17Å; Q56-I58 VanDerWaalsContact C-N 3.3Å; Q56-I58 PolarHBondContact O-N 3.13Å; I58-L60 PolarHBondContact O-N 2.85Å; I58-Q61 PolarHBondContact O-N 2.86Å; I58-M62 HydrophobicContact CG2-CG 4.49Å; I58-M62 HydrophobicContact CG2-SD 3.97Å; I58-M62 WeakPolarHBondContact O-CG 3.38Å; I58-M62 PolarHBondContact O-N 2.84Å |
| 59 | A | 94.7 | Very high | 94.1 | Very high | 4 Ų | 4 | 46.9 Ų | 46.9 | 3% | 0.033 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.1 | -46.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q51 P55 Q56 M62 A63 | Q51-A59 HydrophobicContact CB-CB 3.94Å; Q51-A59 HydrophobicContact CG-CB 3.84Å; Q51-A59 PolarHBondContact NE2-O 3.46Å; P55-A59 PolarHBondContact O-N 3.42Å; Q56-A59 PolarHBondContact O-N 2.99Å; A59-M62 PolarHBondContact O-N 3.31Å; A59-A63 PolarHBondContact O-N 2.79Å; A59-A63 VanDerWaalsContact O-N 3.12Å |
| 60 | L | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.2 | -41.8 | 179 | -69.8 | 178 | 0 | 0 | 0 | 112.1 | Y31 Q56 I58 M62 A63 I64 L73 M76 I77 T80 | Y31-L60 HydrophobicContact CD1-CD2 4.11Å; Y31-L60 HydrophobicContact CD2-CD2 4.43Å; Y31-L60 HydrophobicContact CE1-CD2 3.44Å; Y31-L60 VanDerWaalsContact CE1-CD2 3.44Å; Y31-L60 HydrophobicContact CE2-CD2 3.77Å; Y31-L60 WeakPolarHBondContact OH-CD2 3.47Å; Q56-L60 HydrophobicContact CG-CD1 3.62Å; Q56-L60 HydrophobicContact CG-CG 4.05Å; Q56-L60 WeakPolarHBondContact O-CB 3.29Å; Q56-L60 WeakPolarHBondContact O-CG 3.35Å; Q56-L60 PolarHBondContact O-N 2.83Å; I58-L60 PolarHBondContact O-N 2.85Å; L60-M62 VanDerWaalsContact C-N 3.31Å; L60-M62 PolarHBondContact O-N 3.07Å; L60-A63 WeakPolarHBondContact O-CB 3.47Å; L60-A63 PolarHBondContact O-N 2.64Å; L60-A63 VanDerWaalsContact O-N 3.08Å; L60-I64 WeakPolarHBondContact O-CG1 3.41Å; L60-I64 PolarHBondContact O-N 3.24Å; L60-L73 HydrophobicContact CB-CD1 3.77Å; L60-M76 HydrophobicContact CB-CG 4.11Å; L60-M76 HydrophobicContact CD1-CG 4.35Å; L60-M76 HydrophobicContact CD2-CE 3.76Å; L60-M76 HydrophobicContact CD2-CG 3.89Å; L60-M76 HydrophobicContact CG-CG 4.36Å; L60-I77 HydrophobicContact CD1-CB 4.25Å; L60-I77 HydrophobicContact CD1-CG1 3.47Å; L60-I77 VanDerWaalsContact CD1-CG1 3.47Å; L60-T80 HydrophobicContact CD2-CG2 3.96Å |
| 61 | Q | 97.8 | Very high | 94.7 | Very high | 66 Ų | 66 | 45.4 Ų | 45.4 | 31% | 0.308 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.8 | -44.7 | 175.5 | -174 | 59.3 | 56.4 | 0 | 0 | 111.1 | E57 I58 A63 I64 D65 L73 | E57-Q61 VanDerWaalsContact O-CB 3.28Å; E57-Q61 WeakPolarHBondContact O-CB 3.35Å; E57-Q61 PolarHBondContact O-N 3.47Å; I58-Q61 PolarHBondContact O-N 2.86Å; Q61-A63 PolarHBondContact O-N 2.86Å; Q61-I64 PolarHBondContact O-N 3.18Å; Q61-D65 PolarHBondContact NE2-OD1 3.49Å; Q61-D65 PolarHBondContact NE2-OD2 2.88Å; Q61-D65 VanDerWaalsContact O-CG 3.26Å; Q61-D65 PolarHBondContact O-N 3.32Å; Q61-L73 HydrophobicContact CB-CD1 4.25Å |
| 62 | M | 97.2 | Very high | 94.9 | Very high | 40 Ų | 40 | 47.2 Ų | 47.2 | 20% | 0.197 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.1 | -38.8 | 175.6 | -64.9 | 167 | 64 | 0 | 0 | 111.4 | M47 R50 I58 A59 L60 D65 E66 | M47-M62 HydrophobicContact CE-CB 3.29Å; M47-M62 HydrophobicContact CE-CE 4.37Å; M47-M62 VanDerWaalsContact CE-O 3.28Å; M47-M62 WeakPolarHBondContact CE-O 3.29Å; R50-M62 HydrophobicContact CB-CE 3.78Å; I58-M62 HydrophobicContact CG2-CG 4.49Å; I58-M62 HydrophobicContact CG2-SD 3.97Å; I58-M62 WeakPolarHBondContact O-CG 3.38Å; I58-M62 PolarHBondContact O-N 2.84Å; A59-M62 PolarHBondContact O-N 3.31Å; L60-M62 VanDerWaalsContact C-N 3.31Å; L60-M62 PolarHBondContact O-N 3.07Å; M62-D65 PolarHBondContact O-N 3.13Å; M62-E66 VanDerWaalsContact O-CB 3.26Å; M62-E66 WeakPolarHBondContact O-CB 3.47Å; M62-E66 PolarHBondContact O-N 3.37Å |
| 63 | A | 97.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.3 | -41 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | Y31 M47 A59 L60 Q61 D65 F67 | Y31-A63 HydrophobicContact CD2-CB 4.21Å; Y31-A63 HydrophobicContact CE2-CB 4.39Å; M47-A63 HydrophobicContact CE-CB 4.26Å; M47-A63 VanDerWaalsContact CE-N 3.28Å; A59-A63 PolarHBondContact O-N 2.79Å; A59-A63 VanDerWaalsContact O-N 3.12Å; L60-A63 WeakPolarHBondContact O-CB 3.47Å; L60-A63 PolarHBondContact O-N 2.64Å; L60-A63 VanDerWaalsContact O-N 3.08Å; Q61-A63 PolarHBondContact O-N 2.86Å; A63-D65 VanDerWaalsContact C-N 3.29Å; A63-D65 PolarHBondContact O-N 2.87Å; A63-F67 WeakPolarHBondContact O-CD2 3.42Å; A63-F67 PolarHBondContact O-N 2.72Å; A63-F67 VanDerWaalsContact O-N 3.1Å |
| 64 | I | 97.9 | Very high | 96.1 | Very high | 12 Ų | 12 | 54 Ų | 54 | 6% | 0.062 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.3 | -48 | 175.3 | -68.6 | 164.6 | 0 | 0 | 0 | 110.1 | L60 Q61 K68 L69 I71 L73 M76 | L60-I64 WeakPolarHBondContact O-CG1 3.41Å; L60-I64 PolarHBondContact O-N 3.24Å; Q61-I64 PolarHBondContact O-N 3.18Å; I64-K68 CarbonylContact O-C 3.59Å; I64-K68 VanDerWaalsContact O-CA 3.27Å; I64-K68 WeakPolarHBondContact O-CA 3.37Å; I64-K68 PolarHBondContact O-N 2.91Å; I64-L69 HydrophobicContact CG1-CD1 4.41Å; I64-L69 HydrophobicContact CG2-CB 4.39Å; I64-L69 PolarHBondContact O-N 2.95Å; I64-I71 HydrophobicContact CD1-CG2 4.45Å; I64-I71 HydrophobicContact CG1-CG2 4.14Å; I64-L73 HydrophobicContact CD1-CB 4.26Å; I64-L73 HydrophobicContact CD1-CD1 4.14Å; I64-M76 HydrophobicContact CD1-CB 3.73Å; I64-M76 HydrophobicContact CD1-CG 4Å; I64-M76 HydrophobicContact CG1-CB 4.23Å; I64-M76 HydrophobicContact CG1-CG 4.08Å; I64-M76 HydrophobicContact CG1-SD 4.48Å |
| 65 | D | 97.8 | Very high | 96.4 | Very high | 97 Ų | 97 | 54.6 Ų | 54.6 | 52% | 0.519 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.5 | -47.1 | -176.8 | -62.2 | -22.8 | 0 | 0 | 0 | 111.8 | Q61 M62 A63 K68 | Q61-D65 PolarHBondContact NE2-OD1 3.49Å; Q61-D65 PolarHBondContact NE2-OD2 2.88Å; Q61-D65 VanDerWaalsContact O-CG 3.26Å; Q61-D65 PolarHBondContact O-N 3.32Å; M62-D65 PolarHBondContact O-N 3.13Å; A63-D65 VanDerWaalsContact C-N 3.29Å; A63-D65 PolarHBondContact O-N 2.87Å; D65-K68 PolarHBondContact O-N 2.98Å |
| 66 | E | 97.2 | Very high | 96.8 | Very high | 94 Ų | 94 | 53 Ų | 53 | 44% | 0.439 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.6 | -49.9 | -178.4 | -175.2 | 68.5 | -147.2 | 0 | 0 | 111.8 | M47 R50 M62 K68 | M47-E66 HydrophobicContact CE-CB 4.31Å; M47-E66 HydrophobicContact SD-CB 4.01Å; M47-E66 HydrophobicContact SD-CG 3.95Å; R50-E66 IonicContact CZ-OE2 3.52Å; R50-E66 IonicContact NH1-OE2 3.08Å; R50-E66 PolarHBondContact NH1-OE2 2.76Å; R50-E66 VanDerWaalsContact NH1-OE2 3.08Å; R50-E66 IonicContact NH2-OE1 3.67Å; R50-E66 IonicContact NH2-OE2 2.74Å; R50-E66 PolarHBondContact NH2-OE2 3.14Å; M62-E66 VanDerWaalsContact O-CB 3.26Å; M62-E66 WeakPolarHBondContact O-CB 3.47Å; M62-E66 PolarHBondContact O-N 3.37Å; E66-K68 VanDerWaalsContact C-N 3.3Å; E66-K68 PolarHBondContact O-N 3Å |
| 67 | F | 97 | Very high | 97 | Very high | 27 Ų | 27 | 53 Ų | 53 | 12% | 0.118 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -88.5 | 0.3 | -176.7 | -66.2 | -82.3 | 0 | 0 | 0 | 113 | I35 K40 E42 F43 T44 M47 A63 L69 | I35-F67 HydrophobicContact CD1-CD1 4.48Å; I35-F67 HydrophobicContact CD1-CD2 3.74Å; I35-F67 HydrophobicContact CD1-CE1 4.44Å; I35-F67 HydrophobicContact CD1-CE2 3.71Å; I35-F67 HydrophobicContact CD1-CG 4.15Å; I35-F67 HydrophobicContact CD1-CZ 4.08Å; I35-F67 HydrophobicContact CG1-CD2 4.22Å; I35-F67 HydrophobicContact CG1-CG 4.26Å; I35-F67 HydrophobicContact CG2-CD1 3.9Å; I35-F67 HydrophobicContact CG2-CE1 4.29Å; I35-F67 HydrophobicContact CG2-CG 4.19Å; K40-F67 HydrophobicContact CB-CB 4.32Å; E42-F67 VanDerWaalsContact O-CE1 3.22Å; E42-F67 WeakPolarHBondContact O-CE1 3.44Å; E42-F67 WeakPolarHBondContact O-CZ 3.43Å; F43-F67 HydrophobicContact CD2-CE2 4.22Å; T44-F67 HydrophobicContact CG2-CE1 4.38Å; T44-F67 HydrophobicContact CG2-CZ 4.14Å; M47-F67 HydrophobicContact CB-CE2 4.42Å; M47-F67 HydrophobicContact CG-CE2 4.12Å; A63-F67 WeakPolarHBondContact O-CD2 3.42Å; A63-F67 PolarHBondContact O-N 2.72Å; A63-F67 VanDerWaalsContact O-N 3.1Å; F67-L69 VanDerWaalsContact C-N 3.28Å; F67-L69 HydrophobicContact CB-CD2 3.7Å; F67-L69 HydrophobicContact CB-CG 3.91Å; F67-L69 PolarHBondContact O-N 3.32Å |
| 68 | K | 97.1 | Very high | 97.2 | Very high | 166 Ų | 166 | 57.8 Ų | 57.8 | 72% | 0.722 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.4 | 50.5 | -177.2 | -56.3 | 176.6 | -177.2 | 177.5 | 0 | 110.9 | I64 D65 E66 | I64-K68 CarbonylContact O-C 3.59Å; I64-K68 VanDerWaalsContact O-CA 3.27Å; I64-K68 WeakPolarHBondContact O-CA 3.37Å; I64-K68 PolarHBondContact O-N 2.91Å; D65-K68 PolarHBondContact O-N 2.98Å; E66-K68 VanDerWaalsContact C-N 3.3Å; E66-K68 PolarHBondContact O-N 3Å |
| 69 | L | 97.4 | Very high | 97.2 | Very high | 9 Ų | 9 | 56.7 Ų | 56.7 | 5% | 0.047 | 28% | 0.284 | C | S | . | . | trans | -72.2 | 130.3 | -178.2 | -57.3 | -177 | 0 | 0 | 0 | 109.5 | V34 I35 Y38 K40 I64 F67 I71 M76 | V34-L69 HydrophobicContact CG1-CD1 4.49Å; I35-L69 HydrophobicContact CG1-CD1 4.18Å; I35-L69 HydrophobicContact CG1-CD2 4.38Å; Y38-L69 HydrophobicContact CD2-CD2 4.3Å; K40-L69 HydrophobicContact CB-CD2 3.96Å; K40-L69 HydrophobicContact CG-CD2 3.83Å; I64-L69 HydrophobicContact CG1-CD1 4.41Å; I64-L69 HydrophobicContact CG2-CB 4.39Å; I64-L69 PolarHBondContact O-N 2.95Å; F67-L69 VanDerWaalsContact C-N 3.28Å; F67-L69 HydrophobicContact CB-CD2 3.7Å; F67-L69 HydrophobicContact CB-CG 3.91Å; F67-L69 PolarHBondContact O-N 3.32Å; L69-I71 HydrophobicContact CB-CG2 3.77Å; L69-I71 HydrophobicContact CD1-CG2 4.48Å; L69-I71 PolarHBondContact O-N 3.2Å; L69-M76 HydrophobicContact CD1-CE 4.34Å; L69-M76 HydrophobicContact CD1-SD 4.12Å | ||
| 70 | P | 97.3 | Very high | 97.3 | Very high | 93 Ų | 93 | 56.5 Ų | 56.5 | 60% | 0.604 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -84.1 | 58.7 | 178.3 | 35.9 | -35.2 | 0 | 0 | 0 | 110.5 | Y38 | Y38-P70 HydrophobicContact CD1-CG 3.53Å; Y38-P70 HydrophobicContact CE1-CG 3.62Å; Y38-P70 HydrophobicContact CG-CG 4.26Å |
| 71 | I | 97.7 | Very high | 97.3 | Very high | 15 Ų | 15 | 57.3 Ų | 57.3 | 8% | 0.077 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -142.2 | 146.6 | -177 | -164.2 | 174.4 | 0 | 0 | 0 | 109.2 | V34 Y38 I64 L69 E75 M76 | V34-I71 HydrophobicContact CG1-CD1 4.44Å; Y38-I71 HydrophobicContact CE2-CB 4.13Å; Y38-I71 HydrophobicContact CE2-CD1 4.16Å; Y38-I71 HydrophobicContact CE2-CG2 4.4Å; I64-I71 HydrophobicContact CD1-CG2 4.45Å; I64-I71 HydrophobicContact CG1-CG2 4.14Å; L69-I71 HydrophobicContact CB-CG2 3.77Å; L69-I71 HydrophobicContact CD1-CG2 4.48Å; L69-I71 PolarHBondContact O-N 3.2Å; I71-E75 HydrophobicContact CD1-CB 3.65Å; I71-E75 HydrophobicContact CG1-CB 3.37Å; I71-E75 HydrophobicContact CG1-CG 4.34Å; I71-M76 HydrophobicContact CG2-CB 4.31Å; I71-M76 HydrophobicContact CG2-SD 4.47Å |
| 72 | S | 98.2 | Very high | 97.2 | Very high | 53 Ų | 53 | 57.5 Ų | 57.5 | 37% | 0.371 | 30% | 0.3 | S | S | . | . | trans | -75 | 161.3 | 172.3 | 64.9 | 0 | 0 | 0 | 0 | 111.8 | D74 E75 M76 | S72-D74 VanDerWaalsContact C-N 3.29Å; S72-D74 PolarHBondContact O-N 2.79Å; S72-E75 WeakPolarHBondContact CB-OE2 3.3Å; S72-E75 PolarHBondContact N-OE2 3.19Å; S72-E75 PolarHBondContact O-N 3.48Å; S72-E75 WeakPolarHBondContact OG-CB 3.34Å; S72-E75 VanDerWaalsContact OG-CD 3.25Å; S72-E75 WeakPolarHBondContact OG-CG 3.31Å; S72-E75 PolarHBondContact OG-N 3.47Å; S72-E75 PolarHBondContact OG-OE2 3.42Å; S72-M76 WeakPolarHBondContact O-CB 3.37Å; S72-M76 PolarHBondContact O-N 2.85Å | ||
| 73 | L | 98.2 | Very high | 97.1 | Very high | 45 Ų | 45 | 56.6 Ų | 56.6 | 24% | 0.236 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 174.1 | -179.4 | 59.2 | 0 | 0 | 0 | 112 | E57 L60 Q61 I64 E75 M76 I77 | E57-L73 HydrophobicContact CB-CD2 4.43Å; L60-L73 HydrophobicContact CB-CD1 3.77Å; Q61-L73 HydrophobicContact CB-CD1 4.25Å; I64-L73 HydrophobicContact CD1-CB 4.26Å; I64-L73 HydrophobicContact CD1-CD1 4.14Å; L73-E75 PolarHBondContact O-N 3.26Å; L73-M76 PolarHBondContact O-N 3.45Å; L73-I77 HydrophobicContact CD1-CD1 4.09Å; L73-I77 HydrophobicContact CD1-CG1 4.23Å; L73-I77 HydrophobicContact CG-CD1 3.83Å; L73-I77 HydrophobicContact CG-CG1 4.43Å; L73-I77 WeakPolarHBondContact O-CB 3.34Å; L73-I77 VanDerWaalsContact O-CG1 3.28Å; L73-I77 WeakPolarHBondContact O-CG1 3.38Å; L73-I77 PolarHBondContact O-N 2.86Å |
| 74 | D | 98.1 | Very high | 97.2 | Very high | 125 Ų | 125 | 56.6 Ų | 56.6 | 67% | 0.668 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -63.6 | -41.8 | 179.8 | -72.1 | -18.4 | 0 | 0 | 0 | 112.2 | S72 I77 K78 | S72-D74 VanDerWaalsContact C-N 3.29Å; S72-D74 PolarHBondContact O-N 2.79Å; D74-I77 PolarHBondContact O-N 2.83Å; D74-K78 WeakPolarHBondContact O-CB 3.31Å; D74-K78 PolarHBondContact O-N 3.2Å |
| 75 | E | 97.5 | Very high | 97.1 | Very high | 99 Ų | 99 | 59.9 Ų | 59.9 | 46% | 0.463 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.4 | -41.6 | 175.1 | -71.7 | 166.5 | 135.8 | 0 | 0 | 111.4 | I71 S72 L73 I77 K78 E79 | I71-E75 HydrophobicContact CD1-CB 3.65Å; I71-E75 HydrophobicContact CG1-CB 3.37Å; I71-E75 HydrophobicContact CG1-CG 4.34Å; S72-E75 WeakPolarHBondContact CB-OE2 3.3Å; S72-E75 PolarHBondContact N-OE2 3.19Å; S72-E75 PolarHBondContact O-N 3.48Å; S72-E75 WeakPolarHBondContact OG-CB 3.34Å; S72-E75 VanDerWaalsContact OG-CD 3.25Å; S72-E75 WeakPolarHBondContact OG-CG 3.31Å; S72-E75 PolarHBondContact OG-N 3.47Å; S72-E75 PolarHBondContact OG-OE2 3.42Å; L73-E75 PolarHBondContact O-N 3.26Å; E75-I77 PolarHBondContact O-N 3.45Å; E75-K78 PolarHBondContact O-N 3.19Å; E75-E79 WeakPolarHBondContact O-CG 3.37Å; E75-E79 PolarHBondContact O-N 2.65Å |
| 76 | M | 97.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 174.8 | -175.6 | 72.3 | -176.9 | 0 | 0 | 111.7 | V34 L60 I64 L69 I71 S72 L73 T80 | V34-M76 HydrophobicContact CB-CE 4.1Å; V34-M76 HydrophobicContact CB-SD 3.93Å; V34-M76 HydrophobicContact CG1-CE 4.34Å; V34-M76 HydrophobicContact CG1-SD 3.56Å; V34-M76 VanDerWaalsContact CG1-SD 3.56Å; V34-M76 HydrophobicContact CG2-CE 4.31Å; V34-M76 HydrophobicContact CG2-SD 4.09Å; L60-M76 HydrophobicContact CB-CG 4.11Å; L60-M76 HydrophobicContact CD1-CG 4.35Å; L60-M76 HydrophobicContact CD2-CE 3.76Å; L60-M76 HydrophobicContact CD2-CG 3.89Å; L60-M76 HydrophobicContact CG-CG 4.36Å; I64-M76 HydrophobicContact CD1-CB 3.73Å; I64-M76 HydrophobicContact CD1-CG 4Å; I64-M76 HydrophobicContact CG1-CB 4.23Å; I64-M76 HydrophobicContact CG1-CG 4.08Å; I64-M76 HydrophobicContact CG1-SD 4.48Å; L69-M76 HydrophobicContact CD1-CE 4.34Å; L69-M76 HydrophobicContact CD1-SD 4.12Å; I71-M76 HydrophobicContact CG2-CB 4.31Å; I71-M76 HydrophobicContact CG2-SD 4.47Å; S72-M76 WeakPolarHBondContact O-CB 3.37Å; S72-M76 PolarHBondContact O-N 2.85Å; L73-M76 PolarHBondContact O-N 3.45Å; M76-T80 HydrophobicContact CE-CG2 3.89Å; M76-T80 WeakPolarHBondContact O-CB 3.44Å; M76-T80 WeakPolarHBondContact O-CG2 3.45Å; M76-T80 PolarHBondContact O-N 2.91Å; M76-T80 PolarHBondContact O-OG1 2.81Å; M76-T80 HydrophobicContact SD-CG2 4.42Å |
| 77 | I | 97 | Very high | 97.1 | Very high | 26 Ų | 26 | 61.4 Ų | 61.4 | 13% | 0.133 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -60.4 | -51.4 | 174.2 | -72.3 | 162.8 | 0 | 0 | 0 | 109.6 | E57 L60 L73 D74 E75 E79 T80 D81 | E57-I77 HydrophobicContact CG-CD1 4.08Å; L60-I77 HydrophobicContact CD1-CB 4.25Å; L60-I77 HydrophobicContact CD1-CG1 3.47Å; L60-I77 VanDerWaalsContact CD1-CG1 3.47Å; L73-I77 HydrophobicContact CD1-CD1 4.09Å; L73-I77 HydrophobicContact CD1-CG1 4.23Å; L73-I77 HydrophobicContact CG-CD1 3.83Å; L73-I77 HydrophobicContact CG-CG1 4.43Å; L73-I77 WeakPolarHBondContact O-CB 3.34Å; L73-I77 VanDerWaalsContact O-CG1 3.28Å; L73-I77 WeakPolarHBondContact O-CG1 3.38Å; L73-I77 PolarHBondContact O-N 2.86Å; D74-I77 PolarHBondContact O-N 2.83Å; E75-I77 PolarHBondContact O-N 3.45Å; I77-E79 VanDerWaalsContact C-N 3.29Å; I77-E79 PolarHBondContact O-N 2.96Å; I77-T80 PolarHBondContact O-N 3.02Å; I77-T80 PolarHBondContact O-OG1 2.63Å; I77-D81 WeakPolarHBondContact O-CB 3.38Å; I77-D81 PolarHBondContact O-N 3.04Å |
| 78 | K | 96.6 | Very high | 97.2 | Very high | 161 Ų | 161 | 60.1 Ų | 60.1 | 70% | 0.7 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -56.2 | -44.1 | -177.8 | -177.9 | -178.7 | 178.3 | -177 | 0 | 112.1 | D74 E75 A82 | D74-K78 WeakPolarHBondContact O-CB 3.31Å; D74-K78 PolarHBondContact O-N 3.2Å; E75-K78 PolarHBondContact O-N 3.19Å; K78-A82 PolarHBondContact O-N 3.09Å |
| 79 | E | 94.8 | Very high | 97.2 | Very high | 58 Ų | 58 | 54.1 Ų | 54.1 | 27% | 0.271 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -72.8 | -45.3 | -178.1 | -71.3 | -174.9 | -167.6 | 0 | 0 | 113.3 | V34 R37 E75 I77 A82 | V34-E79 HydrophobicContact CG2-CB 4.17Å; R37-E79 VanDerWaalsContact CZ-CD 3.48Å; R37-E79 IonicContact CZ-OE1 3.78Å; R37-E79 IonicContact CZ-OE2 3.72Å; R37-E79 IonicContact NE-OE2 3.49Å; R37-E79 IonicContact NH1-OE1 2.75Å; R37-E79 PolarHBondContact NH1-OE1 2.93Å; R37-E79 IonicContact NH1-OE2 3.99Å; R37-E79 PolarHBondContact NH1-OE2 3.01Å; R37-E79 IonicContact NH2-OE1 2.7Å; R37-E79 PolarHBondContact NH2-OE1 3.19Å; R37-E79 IonicContact NH2-OE2 3Å; R37-E79 PolarHBondContact NH2-OE2 2.83Å; E75-E79 WeakPolarHBondContact O-CG 3.37Å; E75-E79 PolarHBondContact O-N 2.65Å; I77-E79 VanDerWaalsContact C-N 3.29Å; I77-E79 PolarHBondContact O-N 2.96Å; E79-A82 PolarHBondContact O-N 2.9Å |
| 80 | T | 96.9 | Very high | 97.2 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -66.5 | -41.5 | 177.5 | 53.8 | 0 | 0 | 0 | 0 | 111 | A30 Y31 V34 L60 M76 I77 A82 Y83 L84 | A30-T80 HydrophobicContact CB-CG2 4.28Å; Y31-T80 HydrophobicContact CD1-CG2 4.15Å; Y31-T80 HydrophobicContact CE1-CG2 4.41Å; V34-T80 HydrophobicContact CG2-CG2 4.01Å; L60-T80 HydrophobicContact CD2-CG2 3.96Å; M76-T80 HydrophobicContact CE-CG2 3.89Å; M76-T80 WeakPolarHBondContact O-CB 3.44Å; M76-T80 WeakPolarHBondContact O-CG2 3.45Å; M76-T80 PolarHBondContact O-N 2.91Å; M76-T80 PolarHBondContact O-OG1 2.81Å; M76-T80 HydrophobicContact SD-CG2 4.42Å; I77-T80 PolarHBondContact O-N 3.02Å; I77-T80 PolarHBondContact O-OG1 2.63Å; T80-A82 VanDerWaalsContact C-N 3.35Å; T80-A82 PolarHBondContact O-N 2.8Å; T80-Y83 PolarHBondContact O-N 3.05Å; T80-L84 VanDerWaalsContact O-CB 3.3Å; T80-L84 WeakPolarHBondContact O-CB 3.09Å; T80-L84 WeakPolarHBondContact O-CG 3.21Å; T80-L84 PolarHBondContact O-N 3.13Å |
| 81 | D | 96.6 | Very high | 97.3 | Very high | 16 Ų | 16 | 51.3 Ų | 51.3 | 9% | 0.086 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.1 | -42.4 | 176.9 | -91.9 | 11.6 | 0 | 0 | 0 | 112.6 | Q56 I77 Y83 L84 M85 K120 Y121 | Q56-D81 PolarHBondContact NE2-OD1 3.03Å; I77-D81 WeakPolarHBondContact O-CB 3.38Å; I77-D81 PolarHBondContact O-N 3.04Å; D81-Y83 VanDerWaalsContact C-N 3.25Å; D81-Y83 PolarHBondContact O-N 2.92Å; D81-L84 PolarHBondContact O-N 3.41Å; D81-M85 HydrophobicContact CB-SD 4.43Å; D81-M85 VanDerWaalsContact O-CB 3.24Å; D81-M85 WeakPolarHBondContact O-CB 3.45Å; D81-M85 VanDerWaalsContact O-CG 3.24Å; D81-M85 WeakPolarHBondContact O-CG 3.26Å; D81-M85 PolarHBondContact O-N 3.44Å; D81-K120 IonicContact OD2-NZ 3.2Å; D81-K120 PolarHBondContact OD2-NZ 2.87Å; D81-Y121 PolarHBondContact OD1-OH 2.99Å; D81-Y121 PolarHBondContact OD2-OH 2.86Å |
| 82 | A | 95.3 | Very high | 97.3 | Very high | 70 Ų | 70 | 56.5 Ų | 56.5 | 58% | 0.579 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -56.6 | -44.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | K78 E79 T80 | K78-A82 PolarHBondContact O-N 3.09Å; E79-A82 PolarHBondContact O-N 2.9Å; T80-A82 VanDerWaalsContact C-N 3.35Å; T80-A82 PolarHBondContact O-N 2.8Å |
| 83 | Y | 96.4 | Very high | 97.3 | Very high | 21 Ų | 21 | 55.9 Ų | 55.9 | 8% | 0.082 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -72.7 | -48.7 | 175.5 | 178.1 | -111.5 | 0 | 0 | 0 | 112.4 | E29 A30 T80 D81 M85 E86 R87 | E29-Y83 HydrophobicContact CB-CE1 3.59Å; E29-Y83 WeakPolarHBondContact CB-OH 3.17Å; E29-Y83 PolarHBondContact OE2-OH 3.34Å; A30-Y83 HydrophobicContact CB-CD1 3.65Å; A30-Y83 HydrophobicContact CB-CE1 4.25Å; T80-Y83 PolarHBondContact O-N 3.05Å; D81-Y83 VanDerWaalsContact C-N 3.25Å; D81-Y83 PolarHBondContact O-N 2.92Å; Y83-M85 VanDerWaalsContact C-N 3.32Å; Y83-M85 PolarHBondContact O-N 2.94Å; Y83-E86 WeakPolarHBondContact O-CB 3.33Å; Y83-E86 PolarHBondContact O-N 2.89Å; Y83-E86 VanDerWaalsContact O-N 3.13Å; Y83-R87 HydrophobicContact CD1-CG 4.21Å; Y83-R87 HydrophobicContact CD2-CG 3.98Å; Y83-R87 HydrophobicContact CE1-CG 3.81Å; Y83-R87 HydrophobicContact CE2-CG 3.54Å; Y83-R87 HydrophobicContact CG-CG 4.35Å; Y83-R87 WeakPolarHBondContact O-CG 3.45Å; Y83-R87 PolarHBondContact O-N 2.97Å; Y83-R87 VanDerWaalsContact O-N 3.1Å |
| 84 | L | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -60.2 | -42.2 | -175.8 | -73.7 | 169.5 | 0 | 0 | 0 | 111.9 | F26 Y27 A30 T80 D81 E86 R87 Y88 | F26-L84 HydrophobicContact CB-CD2 3.9Å; F26-L84 WeakPolarHBondContact O-CD2 3.34Å; Y27-L84 HydrophobicContact CD1-CD1 3.92Å; Y27-L84 HydrophobicContact CD1-CD2 3.79Å; Y27-L84 HydrophobicContact CE1-CD1 3.87Å; Y27-L84 HydrophobicContact CE1-CD2 4.03Å; Y27-L84 HydrophobicContact CG-CD2 4.41Å; A30-L84 HydrophobicContact CB-CD1 4.28Å; A30-L84 HydrophobicContact CB-CD2 3.88Å; A30-L84 HydrophobicContact CB-CG 3.84Å; T80-L84 VanDerWaalsContact O-CB 3.3Å; T80-L84 WeakPolarHBondContact O-CB 3.09Å; T80-L84 WeakPolarHBondContact O-CG 3.21Å; T80-L84 PolarHBondContact O-N 3.13Å; D81-L84 PolarHBondContact O-N 3.41Å; L84-E86 VanDerWaalsContact C-N 3.29Å; L84-E86 PolarHBondContact O-N 3.33Å; L84-R87 PolarHBondContact O-N 2.85Å; L84-R87 VanDerWaalsContact O-N 3.1Å; L84-Y88 HydrophobicContact CB-CD2 4.4Å; L84-Y88 HydrophobicContact CB-CE1 4.15Å; L84-Y88 HydrophobicContact CB-CE2 3.72Å; L84-Y88 HydrophobicContact CD2-CE1 4.09Å; L84-Y88 WeakPolarHBondContact O-CB 3.42Å; L84-Y88 WeakPolarHBondContact O-CD2 3.38Å; L84-Y88 PolarHBondContact O-N 3.09Å |
| 85 | M | 97.4 | Very high | 97.3 | Very high | 82 Ų | 82 | 53.6 Ų | 53.6 | 40% | 0.404 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.2 | -31.1 | 178.3 | -70.6 | 178.5 | 62.1 | 0 | 0 | 112.9 | D81 Y83 P89 Y121 L124 | D81-M85 HydrophobicContact CB-SD 4.43Å; D81-M85 VanDerWaalsContact O-CB 3.24Å; D81-M85 WeakPolarHBondContact O-CB 3.45Å; D81-M85 VanDerWaalsContact O-CG 3.24Å; D81-M85 WeakPolarHBondContact O-CG 3.26Å; D81-M85 PolarHBondContact O-N 3.44Å; Y83-M85 VanDerWaalsContact C-N 3.32Å; Y83-M85 PolarHBondContact O-N 2.94Å; M85-P89 WeakPolarHBondContact O-CD 3.11Å; M85-Y121 HydrophobicContact CG-CD1 4.32Å; M85-Y121 HydrophobicContact CG-CE1 4.21Å; M85-Y121 HydrophobicContact SD-CE1 4.31Å; M85-L124 HydrophobicContact CB-CD1 4.15Å; M85-L124 HydrophobicContact CE-CD1 4.04Å; M85-L124 HydrophobicContact CG-CD1 3.94Å |
| 86 | E | 97.3 | Very high | 97.4 | Very high | 137 Ų | 137 | 49.5 Ų | 49.5 | 64% | 0.64 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -68.4 | -38.4 | 171.6 | -170.7 | -167.6 | 157 | 0 | 0 | 111.4 | Y83 L84 | Y83-E86 WeakPolarHBondContact O-CB 3.33Å; Y83-E86 PolarHBondContact O-N 2.89Å; Y83-E86 VanDerWaalsContact O-N 3.13Å; L84-E86 VanDerWaalsContact C-N 3.29Å; L84-E86 PolarHBondContact O-N 3.33Å |
| 87 | R | 98 | Very high | 97.4 | Very high | 85 Ų | 85 | 49.5 Ų | 49.5 | 32% | 0.321 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -83.7 | -32.9 | -175.8 | -58.7 | -56.1 | -69 | 152.7 | 1.2 | 113.9 | F26 Y83 L84 P89 S90 | F26-R87 HydrophobicContact CB-CB 4.33Å; F26-R87 HydrophobicContact CD1-CB 4.01Å; F26-R87 HydrophobicContact CD2-CB 4.22Å; F26-R87 HydrophobicContact CE1-CB 4.38Å; F26-R87 HydrophobicContact CG-CB 3.94Å; Y83-R87 HydrophobicContact CD1-CG 4.21Å; Y83-R87 HydrophobicContact CD2-CG 3.98Å; Y83-R87 HydrophobicContact CE1-CG 3.81Å; Y83-R87 HydrophobicContact CE2-CG 3.54Å; Y83-R87 HydrophobicContact CG-CG 4.35Å; Y83-R87 WeakPolarHBondContact O-CG 3.45Å; Y83-R87 PolarHBondContact O-N 2.97Å; Y83-R87 VanDerWaalsContact O-N 3.1Å; L84-R87 PolarHBondContact O-N 2.85Å; L84-R87 VanDerWaalsContact O-N 3.1Å; R87-P89 VanDerWaalsContact C-CD 3.46Å; R87-S90 WeakPolarHBondContact O-CA 3.23Å; R87-S90 WeakPolarHBondContact O-CB 3.37Å; R87-S90 PolarHBondContact O-N 3.12Å; R87-S90 PolarHBondContact O-OG 3.19Å |
| 88 | Y | 98.1 | Very high | 97.5 | Very high | 1 Ų | 1 | 52.3 Ų | 52.3 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -53 | -40.3 | -173.4 | -72.8 | -35.3 | 0 | 0 | 0 | 114.9 | F26 Y27 L84 S90 S91 Y121 L124 K125 | F26-Y88 HydrophobicContact CD2-CD1 4.33Å; Y27-Y88 HydrophobicContact CE1-CE1 4.48Å; Y27-Y88 VanDerWaalsContact CE1-OH 3.3Å; Y27-Y88 WeakPolarHBondContact CE1-OH 3.43Å; Y27-Y88 PolarHBondContact OH-OH 2.94Å; Y27-Y88 VanDerWaalsContact OH-OH 3.05Å; L84-Y88 HydrophobicContact CB-CD2 4.4Å; L84-Y88 HydrophobicContact CB-CE1 4.15Å; L84-Y88 HydrophobicContact CB-CE2 3.72Å; L84-Y88 HydrophobicContact CD2-CE1 4.09Å; L84-Y88 WeakPolarHBondContact O-CB 3.42Å; L84-Y88 WeakPolarHBondContact O-CD2 3.38Å; L84-Y88 PolarHBondContact O-N 3.09Å; Y88-S90 PolarHBondContact O-N 3.22Å; Y88-S90 VanDerWaalsContact O-N 3.13Å; Y88-S91 WeakPolarHBondContact O-CB 3.24Å; Y88-S91 PolarHBondContact O-N 3.03Å; Y88-S91 PolarHBondContact O-OG 3.25Å; Y88-Y121 HydrophobicContact CD2-CD1 4.31Å; Y88-Y121 AromaticContact CE2-CD1 3.64Å; Y88-Y121 HydrophobicContact CE2-CD1 3.64Å; Y88-Y121 HydrophobicContact CE2-CE1 4.47Å; Y88-Y121 AromaticContact CE2-CG 3.83Å; Y88-Y121 HydrophobicContact CE2-CG 3.83Å; Y88-L124 HydrophobicContact CD2-CB 4.28Å; Y88-L124 HydrophobicContact CD2-CD1 4.35Å; Y88-L124 HydrophobicContact CG-CB 4.48Å; Y88-K125 HydrophobicContact CD1-CD 4.16Å; Y88-K125 HydrophobicContact CD1-CG 3.47Å; Y88-K125 VanDerWaalsContact CD1-CG 3.47Å; Y88-K125 HydrophobicContact CD2-CG 4.39Å; Y88-K125 HydrophobicContact CE1-CD 4.24Å; Y88-K125 HydrophobicContact CE1-CG 4.05Å; Y88-K125 HydrophobicContact CG-CG 3.68Å; Y88-K125 WeakPolarHBondContact O-CA 3.34Å |
| 89 | P | 97.9 | Very high | 97.6 | Very high | 40 Ų | 40 | 49.5 Ų | 49.5 | 26% | 0.26 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -57.6 | -27.1 | 174.5 | -26.1 | 36.3 | 0 | 0 | 0 | 113.7 | M85 R87 S91 H128 | M85-P89 WeakPolarHBondContact O-CD 3.11Å; R87-P89 VanDerWaalsContact C-CD 3.46Å; P89-S91 VanDerWaalsContact C-N 3.28Å; P89-S91 PolarHBondContact O-N 3.18Å; P89-H128 PolarHBondContact O-CD2 3.1Å |
| 90 | S | 97.5 | Very high | 97.8 | Very high | 43 Ų | 43 | 46.7 Ų | 46.7 | 30% | 0.301 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -83.4 | 5 | 178.4 | 71.5 | 0 | 0 | 0 | 0 | 115 | R87 Y88 Q92 | R87-S90 WeakPolarHBondContact O-CA 3.23Å; R87-S90 WeakPolarHBondContact O-CB 3.37Å; R87-S90 PolarHBondContact O-N 3.12Å; R87-S90 PolarHBondContact O-OG 3.19Å; Y88-S90 PolarHBondContact O-N 3.22Å; Y88-S90 VanDerWaalsContact O-N 3.13Å; S90-Q92 PolarHBondContact O-N 2.86Å; S90-Q92 PolarHBondContact O-NE2 3.23Å |
| 91 | S | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | P | Polyproline II helix | trans | -54.8 | 127.2 | 180 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | Y88 P89 K125 H129 | Y88-S91 WeakPolarHBondContact O-CB 3.24Å; Y88-S91 PolarHBondContact O-N 3.03Å; Y88-S91 PolarHBondContact O-OG 3.25Å; P89-S91 VanDerWaalsContact C-N 3.28Å; P89-S91 PolarHBondContact O-N 3.18Å; S91-K125 WeakPolarHBondContact CB-O 3.44Å; S91-H129 PolarHBondContact O-NE2 3.04Å |
| 92 | Q | 98.2 | Very high | 98 | Very high | 123 Ų | 123 | 51.1 Ų | 51.1 | 58% | 0.575 | 26% | 0.258 | S | S | * | . | P | Polyproline II helix | trans | -99 | 149 | 177.9 | -62.3 | -56.3 | -52.9 | 0 | 0 | 110.8 | L21 N22 S90 | L21-Q92 CarbonylContact C-O 3.56Å; L21-Q92 WeakPolarHBondContact CA-O 3.49Å; N22-Q92 PolarHBondContact N-O 2.83Å; S90-Q92 PolarHBondContact O-N 2.86Å; S90-Q92 PolarHBondContact O-NE2 3.23Å |
| 93 | L | 98.5 | Very high | 98.1 | Very high | 41 Ų | 41 | 48.6 Ų | 48.6 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | B | Isolated β-bridge | trans | -67.6 | 142.4 | 172.6 | -70.4 | 165.9 | 0 | 0 | 0 | 110.6 | L20 L21 A97 E98 L132 Y133 | L20-L93 CarbonylContact O-C 3.57Å; L20-L93 WeakPolarHBondContact O-CA 3.48Å; L21-L93 HydrophobicContact CD2-CD2 3.84Å; L21-L93 HydrophobicContact CD2-CG 4.36Å; L93-A97 HydrophobicContact CB-CB 4.47Å; L93-A97 HydrophobicContact CD2-CB 4.3Å; L93-E98 HydrophobicContact CD1-CB 4.13Å; L93-L132 HydrophobicContact CD1-CD2 3.67Å; L93-L132 HydrophobicContact CD2-CD2 3.75Å; L93-L132 HydrophobicContact CG-CD2 4.4Å; L93-Y133 HydrophobicContact CD2-CE2 4.44Å |
| 94 | M | 98.4 | Very high | 98.2 | Very high | 47 Ų | 47 | 47.6 Ų | 47.6 | 23% | 0.232 | 23% | 0.23 | C | C | . | . | P | Polyproline II helix | trans | -69.4 | 149.2 | 170.1 | -71.1 | -64.5 | -77.7 | 0 | 0 | 110.6 | L19 L20 N22 G96 A97 | L19-M94 WeakPolarHBondContact O-CB 3.44Å; L19-M94 WeakPolarHBondContact O-CG 3.45Å; L20-M94 PolarHBondContact O-N 2.84Å; N22-M94 HydrophobicContact CB-SD 3.61Å; M94-G96 PolarHBondContact O-N 3.38Å; M94-A97 VanDerWaalsContact O-CB 3.25Å; M94-A97 WeakPolarHBondContact O-CB 3.26Å; M94-A97 PolarHBondContact O-N 3.41Å; M94-A97 VanDerWaalsContact O-N 3.07Å |
| 95 | P | 98.5 | Very high | 98.3 | Very high | 75 Ų | 75 | 51.9 Ų | 51.9 | 49% | 0.487 | 25% | 0.25 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 123.6 | -179.4 | -25.7 | 34.4 | 0 | 0 | 0 | 112 | S217 L218 L219 | P95-S217 PolarHBondContact O-OG 3.28Å; P95-L218 WeakPolarHBondContact O-CB 3.46Å; P95-L219 HydrophobicContact CB-CD1 3.89Å; P95-L219 HydrophobicContact CB-CG 4.25Å |
| 96 | G | 98.5 | Very high | 98.3 | Very high | 12 Ų | 12 | 53.7 Ų | 53.7 | 12% | 0.124 | 26% | 0.256 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | -10.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | M94 R99 L100 | M94-G96 PolarHBondContact O-N 3.38Å; G96-R99 PolarHBondContact O-N 3.21Å; G96-L100 WeakPolarHBondContact O-CB 3.39Å; G96-L100 PolarHBondContact O-N 3.39Å |
| 97 | A | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57.2 | -53.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L20 L93 M94 R99 L100 I101 L218 | L20-A97 HydrophobicContact CD2-CB 3.88Å; L93-A97 HydrophobicContact CB-CB 4.47Å; L93-A97 HydrophobicContact CD2-CB 4.3Å; M94-A97 VanDerWaalsContact O-CB 3.25Å; M94-A97 WeakPolarHBondContact O-CB 3.26Å; M94-A97 PolarHBondContact O-N 3.41Å; M94-A97 VanDerWaalsContact O-N 3.07Å; A97-R99 PolarHBondContact O-N 2.84Å; A97-L100 PolarHBondContact O-N 3.31Å; A97-I101 WeakPolarHBondContact O-CG1 3.2Å; A97-I101 PolarHBondContact O-N 2.94Å; A97-L218 HydrophobicContact CB-CD1 3.99Å |
| 98 | E | 98.6 | Very high | 98.4 | Very high | 86 Ų | 86 | 52.8 Ų | 52.8 | 40% | 0.402 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 179.6 | 178.1 | 165.6 | -159.2 | 0 | 0 | 112.6 | L93 L100 I101 R102 L132 | L93-E98 HydrophobicContact CD1-CB 4.13Å; E98-L100 VanDerWaalsContact C-N 3.3Å; E98-L100 PolarHBondContact O-N 2.94Å; E98-I101 PolarHBondContact O-N 3.23Å; E98-R102 HydrophobicContact CG-CG 4.23Å; E98-R102 WeakPolarHBondContact O-CB 3.42Å; E98-R102 WeakPolarHBondContact O-CG 3.41Å; E98-R102 PolarHBondContact O-N 2.89Å; E98-R102 IonicContact OE1-CZ 2.8Å; E98-R102 IonicContact OE1-NE 4Å; E98-R102 PolarHBondContact OE1-NE 3.33Å; E98-R102 IonicContact OE1-NH2 3.99Å; E98-R102 PolarHBondContact OE1-NH2 2.8Å; E98-L132 HydrophobicContact CB-CD1 4.43Å; E98-L132 HydrophobicContact CB-CD2 4.08Å; E98-L132 HydrophobicContact CG-CD1 3.99Å; E98-L132 HydrophobicContact CG-CD2 4.35Å |
| 99 | R | 98.4 | Very high | 98.4 | Very high | 101 Ų | 101 | 53.4 Ų | 53.4 | 38% | 0.381 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -55.9 | -47.7 | 178.7 | -177.2 | -173.3 | 68.7 | 159.5 | 3.6 | 110.7 | G96 A97 H103 L218 L219 F231 | G96-R99 PolarHBondContact O-N 3.21Å; A97-R99 PolarHBondContact O-N 2.84Å; R99-H103 WeakPolarHBondContact O-CB 3.36Å; R99-H103 PolarHBondContact O-N 3.1Å; R99-L218 PolarHBondContact NH2-O 2.94Å; R99-L219 VanDerWaalsContact NH2-C 3.27Å; R99-L219 VanDerWaalsContact NH2-CA 3.26Å; R99-L219 PolarHBondContact NH2-O 3.43Å; R99-F231 HydrophobicContact CG-CD1 4.34Å; R99-F231 HydrophobicContact CG-CE1 3.95Å |
| 100 | L | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.5 | -51.5 | -178.3 | 178.4 | 55.8 | 0 | 0 | 0 | 111.7 | F14 G96 A97 E98 R102 H103 L104 F178 L218 F221 F231 | F14-L100 HydrophobicContact CE1-CD2 3.62Å; F14-L100 HydrophobicContact CE1-CG 4.22Å; F14-L100 HydrophobicContact CZ-CD2 3.84Å; F14-L100 HydrophobicContact CZ-CG 3.98Å; G96-L100 WeakPolarHBondContact O-CB 3.39Å; G96-L100 PolarHBondContact O-N 3.39Å; A97-L100 PolarHBondContact O-N 3.31Å; E98-L100 VanDerWaalsContact C-N 3.3Å; E98-L100 PolarHBondContact O-N 2.94Å; L100-R102 PolarHBondContact O-N 3.12Å; L100-H103 WeakPolarHBondContact O-CB 3.07Å; L100-H103 PolarHBondContact O-N 3.1Å; L100-L104 HydrophobicContact CD1-CD1 3.94Å; L100-L104 HydrophobicContact CD1-CD2 4.36Å; L100-L104 HydrophobicContact CD1-CG 3.95Å; L100-L104 HydrophobicContact CG-CD1 4.18Å; L100-L104 WeakPolarHBondContact O-CG 3.41Å; L100-L104 PolarHBondContact O-N 3.49Å; L100-F178 HydrophobicContact CD2-CD1 4.37Å; L100-F178 HydrophobicContact CD2-CE1 3.84Å; L100-F178 HydrophobicContact CD2-CE2 4.35Å; L100-F178 HydrophobicContact CD2-CZ 3.83Å; L100-L218 HydrophobicContact CD2-CD2 4.04Å; L100-F221 HydrophobicContact CD1-CD1 3.74Å; L100-F221 HydrophobicContact CD1-CE1 3.95Å; L100-F221 HydrophobicContact CD2-CD1 4.33Å; L100-F231 HydrophobicContact CB-CZ 4.46Å; L100-F231 HydrophobicContact CD1-CZ 3.95Å |
| 101 | I | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -49.2 | -178.8 | -66.9 | 164.7 | 0 | 0 | 0 | 110.7 | L20 A97 E98 H103 L104 H105 M111 L132 L135 F136 | L20-I101 HydrophobicContact CD1-CD1 4.07Å; L20-I101 HydrophobicContact CD2-CD1 4.04Å; A97-I101 WeakPolarHBondContact O-CG1 3.2Å; A97-I101 PolarHBondContact O-N 2.94Å; E98-I101 PolarHBondContact O-N 3.23Å; I101-H103 VanDerWaalsContact C-N 3.29Å; I101-H103 PolarHBondContact O-N 2.85Å; I101-L104 PolarHBondContact O-N 3.05Å; I101-H105 WeakPolarHBondContact O-CB 2.88Å; I101-H105 PolarHBondContact O-N 2.68Å; I101-M111 HydrophobicContact CG2-CE 3.63Å; I101-M111 HydrophobicContact CG2-SD 4.12Å; I101-M111 WeakPolarHBondContact O-CE 3.35Å; I101-L132 HydrophobicContact CB-CD1 3.94Å; I101-L132 HydrophobicContact CB-CG 4.43Å; I101-L132 HydrophobicContact CD1-CD1 4.44Å; I101-L132 HydrophobicContact CD1-CD2 3.96Å; I101-L132 HydrophobicContact CD1-CG 4.05Å; I101-L132 HydrophobicContact CG2-CD1 3.71Å; I101-L132 HydrophobicContact CG2-CG 4.1Å; I101-L135 HydrophobicContact CG2-CB 4.2Å; I101-L135 HydrophobicContact CG2-CD1 4.2Å; I101-F136 HydrophobicContact CD1-CE2 4.14Å; I101-F136 HydrophobicContact CD1-CZ 3.68Å; I101-F136 HydrophobicContact CG1-CZ 3.93Å; I101-F136 HydrophobicContact CG2-CZ 4.32Å |
| 102 | R | 98.6 | Very high | 98.5 | Very high | 110 Ų | 110 | 51.1 Ų | 51.1 | 42% | 0.415 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63 | -36.9 | 179.4 | -69.4 | -173.7 | -176.7 | -71.7 | -0.2 | 112.3 | E98 L100 K106 L132 L135 | E98-R102 HydrophobicContact CG-CG 4.23Å; E98-R102 WeakPolarHBondContact O-CB 3.42Å; E98-R102 WeakPolarHBondContact O-CG 3.41Å; E98-R102 PolarHBondContact O-N 2.89Å; E98-R102 IonicContact OE1-CZ 2.8Å; E98-R102 IonicContact OE1-NE 4Å; E98-R102 PolarHBondContact OE1-NE 3.33Å; E98-R102 IonicContact OE1-NH2 3.99Å; E98-R102 PolarHBondContact OE1-NH2 2.8Å; L100-R102 PolarHBondContact O-N 3.12Å; R102-K106 VanDerWaalsContact O-CB 3.28Å; R102-K106 WeakPolarHBondContact O-CB 3.45Å; R102-K106 PolarHBondContact O-N 2.61Å; R102-L132 HydrophobicContact CG-CD1 3.83Å; R102-L135 HydrophobicContact CG-CD1 4.08Å |
| 103 | H | 98.7 | Very high | 98.5 | Very high | 16 Ų | 16 | 45.2 Ų | 45.2 | 7% | 0.074 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.5 | -45.5 | 178 | 177.1 | 77 | 0 | 0 | 0 | 112.6 | R99 L100 I101 K106 H107 P229 A230 F231 | R99-H103 WeakPolarHBondContact O-CB 3.36Å; R99-H103 PolarHBondContact O-N 3.1Å; L100-H103 WeakPolarHBondContact O-CB 3.07Å; L100-H103 PolarHBondContact O-N 3.1Å; I101-H103 VanDerWaalsContact C-N 3.29Å; I101-H103 PolarHBondContact O-N 2.85Å; H103-K106 PolarHBondContact O-N 2.86Å; H103-H107 AromaticContact CE1-CE1 3.14Å; H103-H107 PolarHBondContact CE1-CE1 3.46Å; H103-H107 AromaticContact CE1-ND1 3.3Å; H103-H107 PolarHBondContact CE1-ND1 3.4Å; H103-H107 VanDerWaalsContact CE1-ND1 3.3Å; H103-H107 AromaticContact ND1-CE1 3.44Å; H103-H107 PolarHBondContact ND1-CE1 3.4Å; H103-H107 AromaticContact ND1-ND1 3.54Å; H103-H107 AromaticContact NE2-CE1 3.9Å; H103-H107 AromaticContact NE2-ND1 3.65Å; H103-H107 PolarHBondContact O-N 2.66Å; H103-H107 PolarHBondContact O-ND1 3.17Å; H103-P229 PolarHBondContact CE1-O 3.28Å; H103-P229 PolarHBondContact NE2-O 3.13Å; H103-A230 PolarHBondContact CE1-O 2.87Å; H103-F231 HydrophobicContact CB-CD1 3.85Å; H103-F231 HydrophobicContact CB-CE1 3.47Å; H103-F231 VanDerWaalsContact CB-CE1 3.47Å; H103-F231 AromaticContact CD2-CD1 3.79Å; H103-F231 AromaticContact CD2-CE1 3.66Å; H103-F231 AromaticContact CE1-CD1 3.93Å; H103-F231 AromaticContact CG-CD1 3.44Å; H103-F231 VanDerWaalsContact CG-CD1 3.44Å; H103-F231 AromaticContact CG-CE1 3.44Å; H103-F231 VanDerWaalsContact CG-CE1 3.44Å; H103-F231 AromaticContact ND1-CD1 3.58Å |
| 104 | L | 98.6 | Very high | 98.5 | Very high | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.8 | -45 | 176.2 | -66.8 | 178.7 | 0 | 0 | 0 | 110.8 | V12 F14 L100 I101 K106 H107 N108 V109 M111 L228 | V12-L104 HydrophobicContact CB-CD1 4.14Å; V12-L104 HydrophobicContact CG1-CD1 4.1Å; V12-L104 HydrophobicContact CG2-CD1 3.96Å; V12-L104 HydrophobicContact CG2-CD2 4.47Å; F14-L104 HydrophobicContact CE2-CD1 3.79Å; F14-L104 HydrophobicContact CZ-CD1 3.61Å; L100-L104 HydrophobicContact CD1-CD1 3.94Å; L100-L104 HydrophobicContact CD1-CD2 4.36Å; L100-L104 HydrophobicContact CD1-CG 3.95Å; L100-L104 HydrophobicContact CG-CD1 4.18Å; L100-L104 WeakPolarHBondContact O-CG 3.41Å; L100-L104 PolarHBondContact O-N 3.49Å; I101-L104 PolarHBondContact O-N 3.05Å; L104-K106 PolarHBondContact O-N 2.65Å; L104-H107 CarbonylContact O-C 3.55Å; L104-H107 PolarHBondContact O-N 3.05Å; L104-N108 PolarHBondContact O-N 3.34Å; L104-V109 HydrophobicContact CB-CB 4.15Å; L104-V109 HydrophobicContact CD2-CB 4.09Å; L104-V109 HydrophobicContact CD2-CG1 4.14Å; L104-V109 HydrophobicContact CD2-CG2 4.12Å; L104-V109 PolarHBondContact O-N 2.65Å; L104-M111 HydrophobicContact CB-SD 3.79Å; L104-M111 HydrophobicContact CD1-SD 4.22Å; L104-L228 HydrophobicContact CD2-CD1 3.99Å |
| 105 | H | 98.4 | Very high | 98.5 | Very high | 89 Ų | 89 | 41.1 Ų | 41.1 | 41% | 0.412 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.1 | -48 | 175.8 | -173.7 | 57.4 | 0 | 0 | 0 | 112.4 | I101 H107 N108 M111 L135 | I101-H105 WeakPolarHBondContact O-CB 2.88Å; I101-H105 PolarHBondContact O-N 2.68Å; H105-H107 PolarHBondContact O-N 2.94Å; H105-H107 VanDerWaalsContact O-N 3.15Å; H105-N108 PolarHBondContact O-N 3.02Å; H105-M111 HydrophobicContact CB-CE 3.67Å; H105-L135 HydrophobicContact CB-CB 4.21Å; H105-L135 HydrophobicContact CB-CD1 4.16Å |
| 106 | K | 98.3 | Very high | 98.4 | Very high | 120 Ų | 120 | 38.5 Ų | 38.5 | 52% | 0.522 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -55.9 | -32.6 | 178.4 | 177.4 | 179.9 | 176.1 | 178.5 | 0 | 112.6 | R102 H103 L104 | R102-K106 VanDerWaalsContact O-CB 3.28Å; R102-K106 WeakPolarHBondContact O-CB 3.45Å; R102-K106 PolarHBondContact O-N 2.61Å; H103-K106 PolarHBondContact O-N 2.86Å; L104-K106 PolarHBondContact O-N 2.65Å |
| 107 | H | 98.4 | Very high | 98.2 | Very high | 62 Ų | 62 | 38.3 Ų | 38.3 | 29% | 0.287 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 12.5 | 179.9 | -66.3 | 101.2 | 0 | 0 | 0 | 113.7 | H103 L104 H105 V109 P229 | H103-H107 AromaticContact CE1-CE1 3.14Å; H103-H107 PolarHBondContact CE1-CE1 3.46Å; H103-H107 AromaticContact CE1-ND1 3.3Å; H103-H107 PolarHBondContact CE1-ND1 3.4Å; H103-H107 VanDerWaalsContact CE1-ND1 3.3Å; H103-H107 AromaticContact ND1-CE1 3.44Å; H103-H107 PolarHBondContact ND1-CE1 3.4Å; H103-H107 AromaticContact ND1-ND1 3.54Å; H103-H107 AromaticContact NE2-CE1 3.9Å; H103-H107 AromaticContact NE2-ND1 3.65Å; H103-H107 PolarHBondContact O-N 2.66Å; H103-H107 PolarHBondContact O-ND1 3.17Å; L104-H107 CarbonylContact O-C 3.55Å; L104-H107 PolarHBondContact O-N 3.05Å; H105-H107 PolarHBondContact O-N 2.94Å; H105-H107 VanDerWaalsContact O-N 3.15Å; H107-V109 HydrophobicContact CB-CG2 4.27Å; H107-V109 PolarHBondContact O-N 3.28Å; H107-P229 HydrophobicContact CB-CB 4.31Å; H107-P229 HydrophobicContact CB-CG 3.9Å |
| 108 | N | 97.9 | Very high | 98 | Very high | 141 Ų | 141 | 40.5 Ų | 40.5 | 75% | 0.754 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 32.1 | -179.6 | -52.3 | -61.5 | 0 | 0 | 0 | 113.4 | L104 H105 P110 | L104-N108 PolarHBondContact O-N 3.34Å; H105-N108 PolarHBondContact O-N 3.02Å; N108-P110 VanDerWaalsContact O-CD 3.27Å; N108-P110 WeakPolarHBondContact O-CD 3.42Å |
| 109 | V | 98.5 | Very high | 98 | Very high | 14 Ų | 14 | 40.3 Ų | 40.3 | 9% | 0.085 | 19% | 0.186 | C | C | . | . | trans | -76.1 | 117.4 | 171.5 | -179 | 0 | 0 | 0 | 0 | 107.4 | V12 L104 H107 M111 L228 | V12-V109 HydrophobicContact CG2-CG1 3.93Å; L104-V109 HydrophobicContact CB-CB 4.15Å; L104-V109 HydrophobicContact CD2-CB 4.09Å; L104-V109 HydrophobicContact CD2-CG1 4.14Å; L104-V109 HydrophobicContact CD2-CG2 4.12Å; L104-V109 PolarHBondContact O-N 2.65Å; H107-V109 HydrophobicContact CB-CG2 4.27Å; H107-V109 PolarHBondContact O-N 3.28Å; V109-M111 PolarHBondContact O-N 2.82Å; V109-L228 HydrophobicContact CG1-CD2 3.92Å; V109-L228 HydrophobicContact CG2-CD2 4.07Å | ||
| 110 | P | 98.7 | Very high | 97.9 | Very high | 34 Ų | 34 | 40.2 Ų | 40.2 | 22% | 0.221 | 19% | 0.188 | C | C | . | . | trans | -58 | 127.9 | 176.9 | -24.3 | 34.7 | 0 | 0 | 0 | 110.5 | S10 H11 V12 N108 N137 F165 | S10-P110 WeakPolarHBondContact O-CD 3.41Å; H11-P110 WeakPolarHBondContact CA-O 3.27Å; H11-P110 VanDerWaalsContact CD2-CB 3.46Å; H11-P110 WeakPolarHBondContact CD2-CB 3.42Å; V12-P110 PolarHBondContact N-O 3.39Å; N108-P110 VanDerWaalsContact O-CD 3.27Å; N108-P110 WeakPolarHBondContact O-CD 3.42Å; P110-N137 WeakPolarHBondContact CA-OD1 3.31Å; P110-F165 HydrophobicContact CB-CD1 3.86Å; P110-F165 HydrophobicContact CB-CE1 3.78Å | ||
| 111 | M | 98.7 | Very high | 97.9 | Very high | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 141.9 | 179.7 | 63.2 | 179.8 | 178.4 | 0 | 0 | 112.9 | V12 F14 I101 L104 H105 V109 L135 F136 N137 | V12-M111 HydrophobicContact CB-CB 4.22Å; V12-M111 CarbonylContact O-C 3.58Å; V12-M111 WeakPolarHBondContact O-CA 3.46Å; F14-M111 HydrophobicContact CE2-CB 4.25Å; F14-M111 HydrophobicContact CE2-SD 4.38Å; I101-M111 HydrophobicContact CG2-CE 3.63Å; I101-M111 HydrophobicContact CG2-SD 4.12Å; I101-M111 WeakPolarHBondContact O-CE 3.35Å; L104-M111 HydrophobicContact CB-SD 3.79Å; L104-M111 HydrophobicContact CD1-SD 4.22Å; H105-M111 HydrophobicContact CB-CE 3.67Å; V109-M111 PolarHBondContact O-N 2.82Å; M111-L135 HydrophobicContact CE-CB 3.71Å; M111-L135 WeakPolarHBondContact CE-O 3.48Å; M111-F136 HydrophobicContact CB-CD1 4.33Å; M111-F136 HydrophobicContact CG-CD1 3.91Å; M111-F136 HydrophobicContact CG-CE1 4.33Å; M111-F136 HydrophobicContact SD-CD1 4.3Å; M111-F136 HydrophobicContact SD-CE1 4.24Å; M111-N137 PolarHBondContact N-OD1 3.32Å; M111-N137 PolarHBondContact O-N 3.05Å; M111-N137 PolarHBondContact O-OD1 2.75Å |
| 112 | A | 98.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 167.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V12 I13 F14 H138 F165 | V12-A112 PolarHBondContact O-N 2.74Å; I13-A112 WeakPolarHBondContact CA-O 3.38Å; F14-A112 PolarHBondContact N-O 2.95Å; A112-H138 WeakPolarHBondContact CB-CE1 3.39Å; A112-H138 VanDerWaalsContact CB-NE2 3.3Å; A112-H138 WeakPolarHBondContact CB-NE2 3.03Å; A112-F165 HydrophobicContact CB-CE1 3.79Å; A112-F165 HydrophobicContact CB-CE2 4.11Å; A112-F165 HydrophobicContact CB-CZ 3.42Å; A112-F165 VanDerWaalsContact CB-CZ 3.42Å |
| 113 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 136.5 | 175.7 | -167 | 148.4 | 0 | 0 | 0 | 110.3 | F14 N16 L20 T115 F122 Y133 F136 H138 V139 V140 | F14-L113 CarbonylContact O-C 3.58Å; F14-L113 WeakPolarHBondContact O-CA 3.22Å; N16-L113 HydrophobicContact CB-CD1 4.04Å; N16-L113 HydrophobicContact CB-CD2 3.98Å; N16-L113 HydrophobicContact CB-CG 4.3Å; L20-L113 HydrophobicContact CD1-CD1 4.02Å; L113-T115 HydrophobicContact CD2-CG2 3.73Å; L113-F122 HydrophobicContact CD1-CE2 4.19Å; L113-F122 HydrophobicContact CD2-CD2 4.48Å; L113-F122 HydrophobicContact CD2-CE2 4.01Å; L113-Y133 HydrophobicContact CD1-CD1 3.94Å; L113-Y133 HydrophobicContact CD1-CE1 3.46Å; L113-Y133 VanDerWaalsContact CD1-CE1 3.46Å; L113-F136 HydrophobicContact CB-CD1 4.39Å; L113-F136 HydrophobicContact CB-CG 4.46Å; L113-F136 HydrophobicContact CD1-CE2 4.1Å; L113-F136 HydrophobicContact CD1-CZ 4.22Å; L113-H138 PolarHBondContact N-O 2.8Å; L113-H138 VanDerWaalsContact N-O 3.14Å; L113-V139 HydrophobicContact CB-CG1 4.32Å; L113-V139 HydrophobicContact CB-CG2 4.18Å; L113-V139 HydrophobicContact CD2-CG1 3.8Å; L113-V140 PolarHBondContact O-N 2.93Å |
| 114 | C | 98.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 104.6 | 176.8 | -168.6 | 0 | 0 | 0 | 0 | 110 | I13 F14 S157 Y158 C161 | I13-C114 HydrophobicContact CG2-CB 3.75Å; F14-C114 PolarHBondContact O-N 3.35Å; C114-S157 PolarHBondContact SG-O 3.35Å; C114-Y158 HydrophobicContact CB-CD1 4.13Å; C114-Y158 HydrophobicContact CB-CE1 3.94Å; C114-C161 HydrophobicContact CB-CB 3.86Å |
| 115 | T | 97.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.006 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 145.3 | -174.5 | 179 | 0 | 0 | 0 | 0 | 112.5 | D17 L113 S117 F122 V140 I142 | D17-T115 PolarHBondContact OD2-OG1 3.47Å; L113-T115 HydrophobicContact CD2-CG2 3.73Å; T115-S117 PolarHBondContact O-N 3.38Å; T115-S117 VanDerWaalsContact OG1-CB 3.3Å; T115-S117 WeakPolarHBondContact OG1-CB 3.37Å; T115-S117 PolarHBondContact OG1-N 3.02Å; T115-S117 PolarHBondContact OG1-OG 3.37Å; T115-F122 HydrophobicContact CG2-CD2 4.21Å; T115-V140 PolarHBondContact N-O 3.03Å; T115-I142 WeakPolarHBondContact O-CB 3.39Å; T115-I142 VanDerWaalsContact O-CG1 3.28Å; T115-I142 WeakPolarHBondContact O-CG1 3.37Å; T115-I142 PolarHBondContact O-N 3.27Å |
| 116 | A | 95.6 | Very high | 97.8 | Very high | 20 Ų | 20 | 38.1 Ų | 38.1 | 17% | 0.165 | 19% | 0.188 | C | C | . | . | S | Bend | trans | -75.4 | -2.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | P143 | A116-P143 VanDerWaalsContact O-CG 3.29Å; A116-P143 WeakPolarHBondContact O-CG 3.25Å |
| 117 | S | 95.2 | Very high | 97.8 | Very high | 9 Ų | 9 | 34 Ų | 34 | 6% | 0.063 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -73.4 | 143.2 | 176.5 | -73 | 0 | 0 | 0 | 0 | 112.7 | D17 T115 K125 C141 | D17-S117 PolarHBondContact OD2-OG 3.25Å; T115-S117 PolarHBondContact O-N 3.38Å; T115-S117 VanDerWaalsContact OG1-CB 3.3Å; T115-S117 WeakPolarHBondContact OG1-CB 3.37Å; T115-S117 PolarHBondContact OG1-N 3.02Å; T115-S117 PolarHBondContact OG1-OG 3.37Å; S117-K125 PolarHBondContact OG-NZ 2.96Å; S117-C141 WeakPolarHBondContact O-CB 3.36Å |
| 118 | K | 95.3 | Very high | 97.7 | Very high | 45 Ų | 45 | 37.7 Ų | 37.7 | 20% | 0.196 | 19% | 0.191 | C | C | . | . | trans | -63.4 | 147.7 | 160.7 | -57.8 | 179.5 | -173.4 | 163.6 | 0 | 109.9 | E57 K120 Y121 F122 P143 | E57-K118 WeakPolarHBondContact OE1-CE 3.36Å; E57-K118 IonicContact OE1-NZ 3.34Å; E57-K118 PolarHBondContact OE1-NZ 3.47Å; K118-K120 VanDerWaalsContact C-N 3.28Å; K118-K120 HydrophobicContact CB-CG 4.32Å; K118-K120 PolarHBondContact O-N 2.79Å; K118-Y121 HydrophobicContact CB-CD2 3.84Å; K118-Y121 HydrophobicContact CB-CE2 4.05Å; K118-Y121 HydrophobicContact CD-CD2 4.4Å; K118-Y121 HydrophobicContact CD-CE2 3.74Å; K118-Y121 HydrophobicContact CG-CD2 4.28Å; K118-Y121 HydrophobicContact CG-CE2 4.08Å; K118-Y121 PolarHBondContact O-N 3.45Å; K118-F122 PolarHBondContact O-N 2.95Å; K118-P143 HydrophobicContact CG-CB 4.17Å; K118-P143 HydrophobicContact CG-CG 4.29Å | ||
| 119 | R | 97.6 | Very high | 97.7 | Very high | 82 Ų | 82 | 32.4 Ų | 32.4 | 31% | 0.309 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -57.2 | -40.5 | -177.3 | -177.4 | 76.9 | 70.3 | 158.8 | -4.1 | 112.4 | Y121 F122 L123 C141 E144 | R119-Y121 PolarHBondContact O-N 3.34Å; R119-F122 PolarHBondContact O-N 3.43Å; R119-L123 HydrophobicContact CG-CD1 3.89Å; R119-L123 HydrophobicContact CG-CG 4.09Å; R119-L123 VanDerWaalsContact O-CG 3.31Å; R119-L123 WeakPolarHBondContact O-CG 3.46Å; R119-L123 PolarHBondContact O-N 3.2Å; R119-C141 HydrophobicContact CB-CB 4.49Å; R119-E144 WeakPolarHBondContact CA-OE1 3.34Å; R119-E144 WeakPolarHBondContact CB-OE1 3.34Å; R119-E144 WeakPolarHBondContact CB-OE2 3.34Å; R119-E144 PolarHBondContact N-OE1 3.06Å; R119-E144 IonicContact NE-OE2 3.08Å |
| 120 | K | 96.9 | Very high | 97.7 | Very high | 100 Ų | 100 | 37.7 Ų | 37.7 | 44% | 0.435 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -55.6 | -40.4 | 178.9 | 64.8 | 166.9 | 178.1 | 154.8 | 0 | 112.4 | D81 K118 L124 | D81-K120 IonicContact OD2-NZ 3.2Å; D81-K120 PolarHBondContact OD2-NZ 2.87Å; K118-K120 VanDerWaalsContact C-N 3.28Å; K118-K120 HydrophobicContact CB-CG 4.32Å; K118-K120 PolarHBondContact O-N 2.79Å; K120-L124 WeakPolarHBondContact O-CG 3.34Å; K120-L124 PolarHBondContact O-N 3.25Å |
| 121 | Y | 97.3 | Very high | 97.6 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 2% | 0.02 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -77.8 | -41.6 | 178.4 | -52.5 | -45.6 | 0 | 0 | 0 | 111 | Q56 D81 M85 Y88 K118 R119 L123 L124 K125 | Q56-Y121 VanDerWaalsContact OE1-CE2 3.24Å; Q56-Y121 PolarHBondContact OE1-OH 3.37Å; D81-Y121 PolarHBondContact OD1-OH 2.99Å; D81-Y121 PolarHBondContact OD2-OH 2.86Å; M85-Y121 HydrophobicContact CG-CD1 4.32Å; M85-Y121 HydrophobicContact CG-CE1 4.21Å; M85-Y121 HydrophobicContact SD-CE1 4.31Å; Y88-Y121 HydrophobicContact CD2-CD1 4.31Å; Y88-Y121 AromaticContact CE2-CD1 3.64Å; Y88-Y121 HydrophobicContact CE2-CD1 3.64Å; Y88-Y121 HydrophobicContact CE2-CE1 4.47Å; Y88-Y121 AromaticContact CE2-CG 3.83Å; Y88-Y121 HydrophobicContact CE2-CG 3.83Å; K118-Y121 HydrophobicContact CB-CD2 3.84Å; K118-Y121 HydrophobicContact CB-CE2 4.05Å; K118-Y121 HydrophobicContact CD-CD2 4.4Å; K118-Y121 HydrophobicContact CD-CE2 3.74Å; K118-Y121 HydrophobicContact CG-CD2 4.28Å; K118-Y121 HydrophobicContact CG-CE2 4.08Å; K118-Y121 PolarHBondContact O-N 3.45Å; R119-Y121 PolarHBondContact O-N 3.34Å; Y121-L123 VanDerWaalsContact C-N 3.28Å; Y121-L123 PolarHBondContact O-N 2.82Å; Y121-L124 PolarHBondContact O-N 3.18Å; Y121-L124 VanDerWaalsContact O-N 3.13Å; Y121-K125 WeakPolarHBondContact O-CB 3.04Å; Y121-K125 VanDerWaalsContact O-CG 3.24Å; Y121-K125 WeakPolarHBondContact O-CG 3.15Å; Y121-K125 PolarHBondContact O-N 2.86Å |
| 122 | F | 98 | Very high | 97.6 | Very high | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.039 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -53.7 | -45.2 | 174.6 | 169.1 | -97 | 0 | 0 | 0 | 112 | L113 T115 K118 R119 L124 K125 T126 Y133 V139 | L113-F122 HydrophobicContact CD1-CE2 4.19Å; L113-F122 HydrophobicContact CD2-CD2 4.48Å; L113-F122 HydrophobicContact CD2-CE2 4.01Å; T115-F122 HydrophobicContact CG2-CD2 4.21Å; K118-F122 PolarHBondContact O-N 2.95Å; R119-F122 PolarHBondContact O-N 3.43Å; F122-L124 VanDerWaalsContact C-N 3.34Å; F122-L124 PolarHBondContact O-N 3.05Å; F122-K125 PolarHBondContact O-N 2.98Å; F122-T126 HydrophobicContact CD2-CG2 3.98Å; F122-T126 HydrophobicContact CE1-CG2 4.48Å; F122-T126 HydrophobicContact CE2-CG2 3.55Å; F122-T126 HydrophobicContact CZ-CG2 3.82Å; F122-T126 WeakPolarHBondContact O-CB 3.48Å; F122-T126 WeakPolarHBondContact O-CG2 3.49Å; F122-T126 PolarHBondContact O-N 3.44Å; F122-T126 PolarHBondContact O-OG1 3.02Å; F122-Y133 AromaticContact CE2-CD1 3.96Å; F122-Y133 HydrophobicContact CE2-CD1 3.96Å; F122-Y133 AromaticContact CE2-CE1 3.92Å; F122-Y133 HydrophobicContact CE2-CE1 3.92Å; F122-Y133 AromaticContact CZ-CD1 3.83Å; F122-Y133 HydrophobicContact CZ-CD1 3.83Å; F122-Y133 HydrophobicContact CZ-CE1 4.27Å; F122-V139 HydrophobicContact CD1-CG1 4.39Å; F122-V139 HydrophobicContact CD2-CG1 4.48Å; F122-V139 HydrophobicContact CE1-CG1 3.91Å; F122-V139 HydrophobicContact CE1-CG2 4.37Å; F122-V139 HydrophobicContact CE2-CG1 4Å; F122-V139 HydrophobicContact CZ-CB 4.38Å; F122-V139 HydrophobicContact CZ-CG1 3.7Å; F122-V139 HydrophobicContact CZ-CG2 3.94Å |
| 123 | L | 98.3 | Very high | 97.6 | Very high | 97 Ų | 97 | 42.1 Ų | 42.1 | 51% | 0.508 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -65.4 | -35.8 | 178.9 | -68.7 | 174.9 | 0 | 0 | 0 | 112.7 | R119 Y121 S127 | R119-L123 HydrophobicContact CG-CD1 3.89Å; R119-L123 HydrophobicContact CG-CG 4.09Å; R119-L123 VanDerWaalsContact O-CG 3.31Å; R119-L123 WeakPolarHBondContact O-CG 3.46Å; R119-L123 PolarHBondContact O-N 3.2Å; Y121-L123 VanDerWaalsContact C-N 3.28Å; Y121-L123 PolarHBondContact O-N 2.82Å; L123-S127 WeakPolarHBondContact O-CB 3.45Å; L123-S127 PolarHBondContact O-N 2.91Å |
| 124 | L | 98.3 | Very high | 97.6 | Very high | 53 Ų | 53 | 49.1 Ų | 49.1 | 28% | 0.277 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -68.3 | -46.8 | 174.3 | -69.9 | 170.9 | 0 | 0 | 0 | 111.2 | M85 Y88 K120 Y121 F122 T126 S127 | M85-L124 HydrophobicContact CB-CD1 4.15Å; M85-L124 HydrophobicContact CE-CD1 4.04Å; M85-L124 HydrophobicContact CG-CD1 3.94Å; Y88-L124 HydrophobicContact CD2-CB 4.28Å; Y88-L124 HydrophobicContact CD2-CD1 4.35Å; Y88-L124 HydrophobicContact CG-CB 4.48Å; K120-L124 WeakPolarHBondContact O-CG 3.34Å; K120-L124 PolarHBondContact O-N 3.25Å; Y121-L124 PolarHBondContact O-N 3.18Å; Y121-L124 VanDerWaalsContact O-N 3.13Å; F122-L124 VanDerWaalsContact C-N 3.34Å; F122-L124 PolarHBondContact O-N 3.05Å; L124-T126 VanDerWaalsContact C-N 3.26Å; L124-T126 PolarHBondContact O-N 2.86Å; L124-S127 VanDerWaalsContact O-CB 3.29Å; L124-S127 WeakPolarHBondContact O-CB 3.24Å; L124-S127 PolarHBondContact O-N 2.68Å; L124-S127 PolarHBondContact O-OG 3.01Å |
| 125 | K | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.5 | -37.8 | 179 | -70.7 | 167.9 | 178 | -172.8 | 0 | 112.8 | D17 L21 T23 Y27 Y88 S91 S117 Y121 F122 | D17-K125 WeakPolarHBondContact OD1-CD 3.43Å; D17-K125 WeakPolarHBondContact OD1-CE 3.41Å; D17-K125 IonicContact OD1-NZ 3.9Å; D17-K125 PolarHBondContact OD1-NZ 2.73Å; D17-K125 IonicContact OD2-NZ 2.78Å; D17-K125 PolarHBondContact OD2-NZ 3.13Å; L21-K125 HydrophobicContact CD1-CB 3.81Å; T23-K125 HydrophobicContact CG2-CD 4.16Å; T23-K125 HydrophobicContact CG2-CG 4.16Å; Y27-K125 WeakPolarHBondContact OH-CE 3.34Å; Y27-K125 PolarHBondContact OH-NZ 3.45Å; Y88-K125 HydrophobicContact CD1-CD 4.16Å; Y88-K125 HydrophobicContact CD1-CG 3.47Å; Y88-K125 VanDerWaalsContact CD1-CG 3.47Å; Y88-K125 HydrophobicContact CD2-CG 4.39Å; Y88-K125 HydrophobicContact CE1-CD 4.24Å; Y88-K125 HydrophobicContact CE1-CG 4.05Å; Y88-K125 HydrophobicContact CG-CG 3.68Å; Y88-K125 WeakPolarHBondContact O-CA 3.34Å; S91-K125 WeakPolarHBondContact CB-O 3.44Å; S117-K125 PolarHBondContact OG-NZ 2.96Å; Y121-K125 WeakPolarHBondContact O-CB 3.04Å; Y121-K125 VanDerWaalsContact O-CG 3.24Å; Y121-K125 WeakPolarHBondContact O-CG 3.15Å; Y121-K125 PolarHBondContact O-N 2.86Å; F122-K125 PolarHBondContact O-N 2.98Å |
| 126 | T | 98.4 | Very high | 97.7 | Very high | 8 Ų | 8 | 51.2 Ų | 51.2 | 5% | 0.049 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.2 | 5.4 | -176 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | L21 F122 L124 H128 H129 K130 Y133 | L21-T126 HydrophobicContact CD1-CG2 4.18Å; F122-T126 HydrophobicContact CD2-CG2 3.98Å; F122-T126 HydrophobicContact CE1-CG2 4.48Å; F122-T126 HydrophobicContact CE2-CG2 3.55Å; F122-T126 HydrophobicContact CZ-CG2 3.82Å; F122-T126 WeakPolarHBondContact O-CB 3.48Å; F122-T126 WeakPolarHBondContact O-CG2 3.49Å; F122-T126 PolarHBondContact O-N 3.44Å; F122-T126 PolarHBondContact O-OG1 3.02Å; L124-T126 VanDerWaalsContact C-N 3.26Å; L124-T126 PolarHBondContact O-N 2.86Å; T126-H128 VanDerWaalsContact C-N 3.25Å; T126-H128 PolarHBondContact O-N 3.19Å; T126-H128 VanDerWaalsContact O-N 3.16Å; T126-H129 CarbonylContact O-C 3.54Å; T126-H129 PolarHBondContact O-N 3.37Å; T126-K130 PolarHBondContact O-N 2.77Å; T126-Y133 HydrophobicContact CG2-CD1 3.62Å; T126-Y133 HydrophobicContact CG2-CD2 4Å; T126-Y133 HydrophobicContact CG2-CE1 3.4Å; T126-Y133 HydrophobicContact CG2-CE2 3.83Å; T126-Y133 HydrophobicContact CG2-CG 3.91Å |
| 127 | S | 97.9 | Very high | 97.8 | Very high | 33 Ų | 33 | 54.4 Ų | 54.4 | 23% | 0.231 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -31.9 | -171.5 | 57.5 | 0 | 0 | 0 | 0 | 114.3 | L123 L124 K130 | L123-S127 WeakPolarHBondContact O-CB 3.45Å; L123-S127 PolarHBondContact O-N 2.91Å; L124-S127 VanDerWaalsContact O-CB 3.29Å; L124-S127 WeakPolarHBondContact O-CB 3.24Å; L124-S127 PolarHBondContact O-N 2.68Å; L124-S127 PolarHBondContact O-OG 3.01Å; S127-K130 WeakPolarHBondContact O-CE 3.24Å; S127-K130 WeakPolarHBondContact O-CG 3.3Å |
| 128 | H | 96.8 | Very high | 97.9 | Very high | 140 Ų | 140 | 55.5 Ų | 55.5 | 65% | 0.648 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -6.2 | 176.2 | -69.1 | -89.1 | 0 | 0 | 0 | 114 | P89 T126 | P89-H128 PolarHBondContact O-CD2 3.1Å; T126-H128 VanDerWaalsContact C-N 3.25Å; T126-H128 PolarHBondContact O-N 3.19Å; T126-H128 VanDerWaalsContact O-N 3.16Å |
| 129 | H | 98.2 | Very high | 98.1 | Very high | 30 Ų | 30 | 54.7 Ų | 54.7 | 14% | 0.139 | 26% | 0.262 | C | S | . | . | trans | -114 | 16.3 | -175.5 | -56.6 | -59.9 | 0 | 0 | 0 | 112.7 | S91 T126 D131 L132 Y133 | S91-H129 PolarHBondContact O-NE2 3.04Å; T126-H129 CarbonylContact O-C 3.54Å; T126-H129 PolarHBondContact O-N 3.37Å; H129-D131 PolarHBondContact O-N 3.33Å; H129-D131 VanDerWaalsContact O-N 3.07Å; H129-L132 WeakPolarHBondContact O-CB 3.47Å; H129-L132 PolarHBondContact O-N 3.43Å; H129-Y133 HydrophobicContact CB-CD2 3.61Å; H129-Y133 HydrophobicContact CB-CE2 3.66Å; H129-Y133 WeakPolarHBondContact O-CD2 3.17Å; H129-Y133 PolarHBondContact O-N 3.25Å | ||
| 130 | K | 97.8 | Very high | 98.1 | Very high | 125 Ų | 125 | 51 Ų | 51 | 54% | 0.543 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -50.6 | -40.4 | -171.7 | -69.4 | 177.5 | -177.1 | 176.5 | 0 | 113.3 | T126 S127 L132 Y133 K134 | T126-K130 PolarHBondContact O-N 2.77Å; S127-K130 WeakPolarHBondContact O-CE 3.24Å; S127-K130 WeakPolarHBondContact O-CG 3.3Å; K130-L132 VanDerWaalsContact C-N 3.31Å; K130-L132 PolarHBondContact O-N 3.39Å; K130-Y133 PolarHBondContact O-N 2.89Å; K130-K134 WeakPolarHBondContact O-CB 3.3Å; K130-K134 WeakPolarHBondContact O-CG 3.39Å; K130-K134 PolarHBondContact O-N 2.8Å |
| 131 | D | 98.2 | Very high | 98.2 | Very high | 107 Ų | 107 | 46.2 Ų | 46.2 | 57% | 0.572 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -70.4 | -28.9 | -177.8 | -64.2 | -25.9 | 0 | 0 | 0 | 113.3 | H129 K134 | H129-D131 PolarHBondContact O-N 3.33Å; H129-D131 VanDerWaalsContact O-N 3.07Å; D131-K134 IonicContact OD1-NZ 3.33Å; D131-K134 PolarHBondContact OD1-NZ 3.08Å |
| 132 | L | 98.6 | Very high | 98.2 | Very high | 6 Ų | 6 | 46.6 Ų | 46.6 | 3% | 0.031 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -75 | -43.4 | 172.2 | -171.4 | 65.2 | 0 | 0 | 0 | 111 | L93 E98 I101 R102 H129 K130 K134 L135 | L93-L132 HydrophobicContact CD1-CD2 3.67Å; L93-L132 HydrophobicContact CD2-CD2 3.75Å; L93-L132 HydrophobicContact CG-CD2 4.4Å; E98-L132 HydrophobicContact CB-CD1 4.43Å; E98-L132 HydrophobicContact CB-CD2 4.08Å; E98-L132 HydrophobicContact CG-CD1 3.99Å; E98-L132 HydrophobicContact CG-CD2 4.35Å; I101-L132 HydrophobicContact CB-CD1 3.94Å; I101-L132 HydrophobicContact CB-CG 4.43Å; I101-L132 HydrophobicContact CD1-CD1 4.44Å; I101-L132 HydrophobicContact CD1-CD2 3.96Å; I101-L132 HydrophobicContact CD1-CG 4.05Å; I101-L132 HydrophobicContact CG2-CD1 3.71Å; I101-L132 HydrophobicContact CG2-CG 4.1Å; R102-L132 HydrophobicContact CG-CD1 3.83Å; H129-L132 WeakPolarHBondContact O-CB 3.47Å; H129-L132 PolarHBondContact O-N 3.43Å; K130-L132 VanDerWaalsContact C-N 3.31Å; K130-L132 PolarHBondContact O-N 3.39Å; L132-K134 VanDerWaalsContact C-N 3.32Å; L132-K134 PolarHBondContact O-N 3.49Å; L132-L135 HydrophobicContact CD1-CD1 4.2Å; L132-L135 VanDerWaalsContact O-CB 3.29Å; L132-L135 WeakPolarHBondContact O-CB 3.28Å; L132-L135 VanDerWaalsContact O-CG 3.28Å; L132-L135 WeakPolarHBondContact O-CG 3.25Å; L132-L135 PolarHBondContact O-N 3.49Å; L132-L135 VanDerWaalsContact O-N 3.15Å |
| 133 | Y | 98.5 | Very high | 98 | Very high | 15 Ų | 15 | 49.2 Ų | 49.2 | 6% | 0.059 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -75 | -19.1 | -177 | -79.8 | -101.4 | 0 | 0 | 0 | 113.7 | N16 L21 L93 L113 F122 T126 H129 K130 L135 F136 | N16-Y133 WeakPolarHBondContact OD1-CE1 3.28Å; N16-Y133 PolarHBondContact OD1-OH 3.13Å; L21-Y133 WeakPolarHBondContact CD1-OH 3.49Å; L21-Y133 VanDerWaalsContact CG-OH 3.24Å; L21-Y133 WeakPolarHBondContact CG-OH 3.44Å; L93-Y133 HydrophobicContact CD2-CE2 4.44Å; L113-Y133 HydrophobicContact CD1-CD1 3.94Å; L113-Y133 HydrophobicContact CD1-CE1 3.46Å; L113-Y133 VanDerWaalsContact CD1-CE1 3.46Å; F122-Y133 AromaticContact CE2-CD1 3.96Å; F122-Y133 HydrophobicContact CE2-CD1 3.96Å; F122-Y133 AromaticContact CE2-CE1 3.92Å; F122-Y133 HydrophobicContact CE2-CE1 3.92Å; F122-Y133 AromaticContact CZ-CD1 3.83Å; F122-Y133 HydrophobicContact CZ-CD1 3.83Å; F122-Y133 HydrophobicContact CZ-CE1 4.27Å; T126-Y133 HydrophobicContact CG2-CD1 3.62Å; T126-Y133 HydrophobicContact CG2-CD2 4Å; T126-Y133 HydrophobicContact CG2-CE1 3.4Å; T126-Y133 HydrophobicContact CG2-CE2 3.83Å; T126-Y133 HydrophobicContact CG2-CG 3.91Å; H129-Y133 HydrophobicContact CB-CD2 3.61Å; H129-Y133 HydrophobicContact CB-CE2 3.66Å; H129-Y133 WeakPolarHBondContact O-CD2 3.17Å; H129-Y133 PolarHBondContact O-N 3.25Å; K130-Y133 PolarHBondContact O-N 2.89Å; Y133-L135 PolarHBondContact O-N 3.42Å; Y133-F136 HydrophobicContact CD1-CD2 4.14Å; Y133-F136 AromaticContact CD1-CE2 3.83Å; Y133-F136 HydrophobicContact CD1-CE2 3.83Å; Y133-F136 HydrophobicContact CE1-CE2 4.2Å; Y133-F136 HydrophobicContact CG-CD2 4.49Å; Y133-F136 HydrophobicContact CG-CE2 4.24Å; Y133-F136 WeakPolarHBondContact O-CD2 3.35Å; Y133-F136 PolarHBondContact O-N 3.23Å |
| 134 | K | 98.2 | Very high | 97.9 | Very high | 147 Ų | 147 | 48.9 Ų | 48.9 | 64% | 0.639 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -14 | 168.3 | -77.3 | 167.7 | -167.5 | 164 | 0 | 113.4 | K130 D131 L132 F136 | K130-K134 WeakPolarHBondContact O-CB 3.3Å; K130-K134 WeakPolarHBondContact O-CG 3.39Å; K130-K134 PolarHBondContact O-N 2.8Å; D131-K134 IonicContact OD1-NZ 3.33Å; D131-K134 PolarHBondContact OD1-NZ 3.08Å; L132-K134 VanDerWaalsContact C-N 3.32Å; L132-K134 PolarHBondContact O-N 3.49Å; K134-F136 VanDerWaalsContact C-N 3.32Å |
| 135 | L | 98.7 | Very high | 97.8 | Very high | 30 Ų | 30 | 48 Ų | 48 | 16% | 0.157 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -15.7 | -178.8 | -53.2 | -173.6 | 0 | 0 | 0 | 113 | I101 R102 H105 M111 L132 Y133 | I101-L135 HydrophobicContact CG2-CB 4.2Å; I101-L135 HydrophobicContact CG2-CD1 4.2Å; R102-L135 HydrophobicContact CG-CD1 4.08Å; H105-L135 HydrophobicContact CB-CB 4.21Å; H105-L135 HydrophobicContact CB-CD1 4.16Å; M111-L135 HydrophobicContact CE-CB 3.71Å; M111-L135 WeakPolarHBondContact CE-O 3.48Å; L132-L135 HydrophobicContact CD1-CD1 4.2Å; L132-L135 VanDerWaalsContact O-CB 3.29Å; L132-L135 WeakPolarHBondContact O-CB 3.28Å; L132-L135 VanDerWaalsContact O-CG 3.28Å; L132-L135 WeakPolarHBondContact O-CG 3.25Å; L132-L135 PolarHBondContact O-N 3.49Å; L132-L135 VanDerWaalsContact O-N 3.15Å; Y133-L135 PolarHBondContact O-N 3.42Å |
| 136 | F | 98.6 | Very high | 97.7 | Very high | 15 Ų | 15 | 53.4 Ų | 53.4 | 7% | 0.066 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -73.3 | 142.5 | 174 | -66.2 | -75.3 | 0 | 0 | 0 | 110.9 | F14 L20 I101 M111 L113 Y133 K134 H138 | F14-F136 HydrophobicContact CB-CE1 4.47Å; F14-F136 AromaticContact CD2-CE1 3.65Å; F14-F136 HydrophobicContact CD2-CE1 3.65Å; F14-F136 HydrophobicContact CD2-CZ 4.38Å; F14-F136 HydrophobicContact CE2-CE1 4.23Å; F14-F136 HydrophobicContact CG-CE1 4.31Å; L20-F136 HydrophobicContact CD1-CZ 3.83Å; I101-F136 HydrophobicContact CD1-CE2 4.14Å; I101-F136 HydrophobicContact CD1-CZ 3.68Å; I101-F136 HydrophobicContact CG1-CZ 3.93Å; I101-F136 HydrophobicContact CG2-CZ 4.32Å; M111-F136 HydrophobicContact CB-CD1 4.33Å; M111-F136 HydrophobicContact CG-CD1 3.91Å; M111-F136 HydrophobicContact CG-CE1 4.33Å; M111-F136 HydrophobicContact SD-CD1 4.3Å; M111-F136 HydrophobicContact SD-CE1 4.24Å; L113-F136 HydrophobicContact CB-CD1 4.39Å; L113-F136 HydrophobicContact CB-CG 4.46Å; L113-F136 HydrophobicContact CD1-CE2 4.1Å; L113-F136 HydrophobicContact CD1-CZ 4.22Å; Y133-F136 HydrophobicContact CD1-CD2 4.14Å; Y133-F136 AromaticContact CD1-CE2 3.83Å; Y133-F136 HydrophobicContact CD1-CE2 3.83Å; Y133-F136 HydrophobicContact CE1-CE2 4.2Å; Y133-F136 HydrophobicContact CG-CD2 4.49Å; Y133-F136 HydrophobicContact CG-CE2 4.24Å; Y133-F136 WeakPolarHBondContact O-CD2 3.35Å; Y133-F136 PolarHBondContact O-N 3.23Å; K134-F136 VanDerWaalsContact C-N 3.32Å; F136-H138 VanDerWaalsContact C-N 3.28Å; F136-H138 PolarHBondContact O-N 3Å |
| 137 | N | 98.3 | Very high | 97.6 | Very high | 86 Ų | 86 | 58.7 Ų | 58.7 | 46% | 0.46 | 30% | 0.298 | S | S | . | . | S | Bend | trans | -60.2 | -41.1 | 173.4 | -67.4 | 92.1 | 0 | 0 | 0 | 111.6 | P110 M111 F165 | P110-N137 WeakPolarHBondContact CA-OD1 3.31Å; M111-N137 PolarHBondContact N-OD1 3.32Å; M111-N137 PolarHBondContact O-N 3.05Å; M111-N137 PolarHBondContact O-OD1 2.75Å; N137-F165 HydrophobicContact CB-CD1 4.18Å; N137-F165 HydrophobicContact CB-CE1 4.12Å |
| 138 | H | 98.4 | Very high | 97.6 | Very high | 33 Ų | 33 | 58 Ų | 58 | 15% | 0.153 | 29% | 0.291 | C | S | . | . | trans | -161 | 166.1 | 178 | 57 | -81.5 | 0 | 0 | 0 | 111.5 | A112 L113 F136 C161 R164 F165 | A112-H138 WeakPolarHBondContact CB-CE1 3.39Å; A112-H138 VanDerWaalsContact CB-NE2 3.3Å; A112-H138 WeakPolarHBondContact CB-NE2 3.03Å; L113-H138 PolarHBondContact N-O 2.8Å; L113-H138 VanDerWaalsContact N-O 3.14Å; F136-H138 VanDerWaalsContact C-N 3.28Å; F136-H138 PolarHBondContact O-N 3Å; H138-C161 PolarHBondContact CE1-O 3.4Å; H138-C161 PolarHBondContact NE2-O 2.95Å; H138-R164 WeakPolarHBondContact NE2-CB 3.32Å; H138-F165 AromaticContact CE1-CD1 3.64Å; H138-F165 AromaticContact CE1-CE1 3.82Å; H138-F165 AromaticContact CE1-CG 3.78Å; H138-F165 PolarHBondContact CE1-N 3.36Å | ||
| 139 | V | 98.5 | Very high | 97.5 | Very high | 28 Ų | 28 | 59.5 Ų | 59.5 | 17% | 0.17 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 124.1 | 175.9 | 179.5 | 0 | 0 | 0 | 0 | 109 | L113 F122 | L113-V139 HydrophobicContact CB-CG1 4.32Å; L113-V139 HydrophobicContact CB-CG2 4.18Å; L113-V139 HydrophobicContact CD2-CG1 3.8Å; F122-V139 HydrophobicContact CD1-CG1 4.39Å; F122-V139 HydrophobicContact CD2-CG1 4.48Å; F122-V139 HydrophobicContact CE1-CG1 3.91Å; F122-V139 HydrophobicContact CE1-CG2 4.37Å; F122-V139 HydrophobicContact CE2-CG1 4Å; F122-V139 HydrophobicContact CZ-CB 4.38Å; F122-V139 HydrophobicContact CZ-CG1 3.7Å; F122-V139 HydrophobicContact CZ-CG2 3.94Å |
| 140 | V | 98.4 | Very high | 97.3 | Very high | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.018 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 117.3 | 172.5 | 175.2 | 0 | 0 | 0 | 0 | 108.4 | L113 T115 I142 E145 I148 F160 C161 | L113-V140 PolarHBondContact O-N 2.93Å; T115-V140 PolarHBondContact N-O 3.03Å; V140-I142 HydrophobicContact CG1-CG1 4.46Å; V140-E145 HydrophobicContact CG1-CG 3.84Å; V140-I148 HydrophobicContact CG1-CD1 4.04Å; V140-F160 HydrophobicContact CG1-CD1 3.92Å; V140-F160 HydrophobicContact CG1-CE1 4.21Å; V140-F160 HydrophobicContact CG2-CD1 4.17Å; V140-F160 HydrophobicContact CG2-CE1 4.28Å; V140-C161 HydrophobicContact CB-CB 4.3Å; V140-C161 HydrophobicContact CG2-CB 3.89Å |
| 141 | C | 97.8 | Very high | 97 | Very high | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 95.7 | 170.9 | -68.2 | 0 | 0 | 0 | 0 | 107.3 | S117 R119 P143 E144 | S117-C141 WeakPolarHBondContact O-CB 3.36Å; R119-C141 HydrophobicContact CB-CB 4.49Å; C141-P143 VanDerWaalsContact C-N 3.3Å; C141-P143 WeakPolarHBondContact O-CD 3.32Å; C141-E144 PolarHBondContact O-N 3.45Å |
| 142 | I | 96.9 | Very high | 96.8 | Very high | 14 Ų | 14 | 54.1 Ų | 54.1 | 7% | 0.072 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -46 | -44.5 | -167 | -63.3 | 164.4 | 0 | 0 | 0 | 113.7 | T115 V140 E144 E145 I148 | T115-I142 WeakPolarHBondContact O-CB 3.39Å; T115-I142 VanDerWaalsContact O-CG1 3.28Å; T115-I142 WeakPolarHBondContact O-CG1 3.37Å; T115-I142 PolarHBondContact O-N 3.27Å; V140-I142 HydrophobicContact CG1-CG1 4.46Å; I142-E144 PolarHBondContact O-N 2.93Å; I142-E145 PolarHBondContact O-N 3.39Å; I142-I148 HydrophobicContact CB-CD1 4.4Å; I142-I148 HydrophobicContact CG1-CD1 4.23Å; I142-I148 HydrophobicContact CG2-CB 4.5Å; I142-I148 HydrophobicContact CG2-CD1 4.13Å; I142-I148 HydrophobicContact CG2-CG2 4Å |
| 143 | P | 94.3 | Very high | 96.6 | Very high | 63 Ų | 63 | 56.3 Ų | 56.3 | 41% | 0.409 | 29% | 0.291 | S | S | . | . | G | 310 helix | trans | -63.1 | -12.4 | -179.7 | -23.7 | 36 | 0 | 0 | 0 | 115.7 | A116 K118 C141 | A116-P143 VanDerWaalsContact O-CG 3.29Å; A116-P143 WeakPolarHBondContact O-CG 3.25Å; K118-P143 HydrophobicContact CG-CB 4.17Å; K118-P143 HydrophobicContact CG-CG 4.29Å; C141-P143 VanDerWaalsContact C-N 3.3Å; C141-P143 WeakPolarHBondContact O-CD 3.32Å |
| 144 | E | 95.8 | Very high | 96.5 | Very high | 90 Ų | 90 | 57.1 Ų | 57.1 | 42% | 0.421 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -104.9 | 2.9 | -179 | -68.9 | 177.2 | -162.7 | 0 | 0 | 113.4 | R119 C141 I142 P146 | R119-E144 WeakPolarHBondContact CA-OE1 3.34Å; R119-E144 WeakPolarHBondContact CB-OE1 3.34Å; R119-E144 WeakPolarHBondContact CB-OE2 3.34Å; R119-E144 PolarHBondContact N-OE1 3.06Å; R119-E144 IonicContact NE-OE2 3.08Å; C141-E144 PolarHBondContact O-N 3.45Å; I142-E144 PolarHBondContact O-N 2.93Å; E144-P146 VanDerWaalsContact O-CD 3.32Å; E144-P146 WeakPolarHBondContact O-CD 3.31Å |
| 145 | E | 97 | Very high | 96.5 | Very high | 34 Ų | 34 | 50.4 Ų | 50.4 | 16% | 0.159 | 27% | 0.271 | C | S | . | . | trans | -111.4 | 94.3 | -175.2 | -50.5 | -69.2 | 172.1 | 0 | 0 | 109.2 | V140 I142 E147 I148 F160 | V140-E145 HydrophobicContact CG1-CG 3.84Å; I142-E145 PolarHBondContact O-N 3.39Å; E145-E147 PolarHBondContact O-N 3.41Å; E145-E147 VanDerWaalsContact O-N 3.13Å; E145-I148 HydrophobicContact CB-CD1 3.7Å; E145-I148 HydrophobicContact CB-CG1 3.96Å; E145-I148 HydrophobicContact CG-CD1 4.14Å; E145-I148 PolarHBondContact O-N 2.86Å; E145-F160 HydrophobicContact CB-CD1 4.5Å; E145-F160 HydrophobicContact CB-CE1 3.94Å; E145-F160 HydrophobicContact CB-CZ 4.16Å; E145-F160 HydrophobicContact CG-CD1 4.48Å; E145-F160 HydrophobicContact CG-CE1 3.83Å; E145-F160 HydrophobicContact CG-CZ 4.41Å; E145-F160 WeakPolarHBondContact OE2-CE1 3.28Å; E145-F160 WeakPolarHBondContact OE2-CZ 3.47Å | ||
| 146 | P | 96.3 | Very high | 96.5 | Very high | 114 Ų | 114 | 51.8 Ų | 51.8 | 74% | 0.74 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -19.2 | -173 | 25.6 | -34 | 0 | 0 | 0 | 113.9 | E144 I148 | E144-P146 VanDerWaalsContact O-CD 3.32Å; E144-P146 WeakPolarHBondContact O-CD 3.31Å; P146-I148 PolarHBondContact O-N 2.99Å |
| 147 | E | 96.9 | Very high | 96.4 | Very high | 120 Ų | 120 | 51 Ų | 51 | 56% | 0.561 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -22.3 | 173.2 | -64.1 | 94 | 142.2 | 0 | 0 | 112.9 | E145 K149 F160 | E145-E147 PolarHBondContact O-N 3.41Å; E145-E147 VanDerWaalsContact O-N 3.13Å; E147-K149 PolarHBondContact O-N 3.43Å; E147-F160 HydrophobicContact CB-CD2 3.91Å; E147-F160 HydrophobicContact CB-CE2 3.6Å; E147-F160 HydrophobicContact CG-CE2 4Å |
| 148 | I | 96.6 | Very high | 96.5 | Very high | 18 Ų | 18 | 47 Ų | 47 | 9% | 0.092 | 25% | 0.252 | C | S | . | . | trans | -87.3 | 99.5 | 175.1 | -53.1 | 173.6 | 0 | 0 | 0 | 108.2 | V140 I142 E145 P146 E156 F160 | V140-I148 HydrophobicContact CG1-CD1 4.04Å; I142-I148 HydrophobicContact CB-CD1 4.4Å; I142-I148 HydrophobicContact CG1-CD1 4.23Å; I142-I148 HydrophobicContact CG2-CB 4.5Å; I142-I148 HydrophobicContact CG2-CD1 4.13Å; I142-I148 HydrophobicContact CG2-CG2 4Å; E145-I148 HydrophobicContact CB-CD1 3.7Å; E145-I148 HydrophobicContact CB-CG1 3.96Å; E145-I148 HydrophobicContact CG-CD1 4.14Å; E145-I148 PolarHBondContact O-N 2.86Å; P146-I148 PolarHBondContact O-N 2.99Å; I148-E156 HydrophobicContact CG2-CB 4.2Å; I148-F160 HydrophobicContact CD1-CB 4.06Å; I148-F160 HydrophobicContact CD1-CD1 3.81Å; I148-F160 HydrophobicContact CD1-CE1 4.48Å; I148-F160 HydrophobicContact CD1-CG 4.01Å; I148-F160 HydrophobicContact CG1-CB 3.86Å; I148-F160 HydrophobicContact CG1-CD1 4.09Å; I148-F160 HydrophobicContact CG1-CD2 4.28Å; I148-F160 HydrophobicContact CG1-CG 3.81Å | ||
| 149 | K | 95.1 | Very high | 96.5 | Very high | 171 Ų | 171 | 49.1 Ų | 49.1 | 74% | 0.743 | 26% | 0.264 | S | S | * | . | trans | -80.9 | -33.6 | -179.6 | -64.8 | 179 | -177.9 | 178.3 | 0 | 111.6 | E147 E156 | E147-K149 PolarHBondContact O-N 3.43Å; K149-E156 PolarHBondContact N-OE2 3.42Å | ||
| 150 | H | 93.9 | Very high | 96.5 | Very high | 111 Ų | 111 | 49.1 Ų | 49.1 | 51% | 0.514 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -124.5 | 115 | -179.5 | -50.2 | 100 | 0 | 0 | 0 | 109.7 | S154 E156 | H150-S154 VanDerWaalsContact O-CB 3.31Å; H150-S154 WeakPolarHBondContact O-CB 3.5Å; H150-E156 IonicContact CE1-OE1 3.68Å; H150-E156 IonicContact CG-OE1 2.77Å; H150-E156 PolarHBondContact N-OE2 3.36Å; H150-E156 IonicContact ND1-OE1 3.39Å; H150-E156 PolarHBondContact ND1-OE1 2.94Å; H150-E156 IonicContact ND1-OE2 2.8Å |
| 151 | G | 90.9 | Very high | 96.5 | Very high | 29 Ų | 29 | 49 Ų | 49 | 30% | 0.299 | 26% | 0.261 | S | S | . | . | trans | -69.3 | -172.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S154 | G151-S154 WeakPolarHBondContact O-CB 3.29Å; G151-S154 PolarHBondContact O-N 2.9Å | ||
| 152 | K | 94 | Very high | 96.5 | Very high | 10 Ų | 10 | 49.8 Ų | 49.8 | 4% | 0.043 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 132.5 | 176.1 | -59 | 173.3 | -178.1 | -174.8 | 0 | 109.8 | D15 Y158 E179 N183 A187 | D15-K152 IonicContact OD1-NZ 2.61Å; D15-K152 PolarHBondContact OD1-NZ 3.3Å; K152-Y158 WeakPolarHBondContact CE-OH 3.18Å; K152-Y158 PolarHBondContact NZ-OH 3.28Å; K152-E179 WeakPolarHBondContact CE-OE1 3.31Å; K152-E179 IonicContact NZ-OE1 3.63Å; K152-E179 PolarHBondContact NZ-OE1 2.93Å; K152-N183 HydrophobicContact CB-CB 4.32Å; K152-A187 HydrophobicContact CB-CB 4.12Å; K152-A187 HydrophobicContact CG-CB 3.87Å |
| 153 | P | 95.7 | Very high | 96.5 | Very high | 51 Ų | 51 | 53.1 Ų | 53.1 | 33% | 0.331 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -92.1 | 13.5 | 16.2 | 37.8 | -38.1 | 0 | 0 | 0 | 115.8 | N183 Q186 A187 N190 | P153-N183 WeakPolarHBondContact CA-O 3.39Å; P153-Q186 HydrophobicContact CB-CB 3.86Å; P153-Q186 HydrophobicContact CB-CG 3.89Å; P153-A187 VanDerWaalsContact O-CA 3.24Å; P153-A187 WeakPolarHBondContact O-CA 3.4Å; P153-A187 PolarHBondContact O-N 2.88Å; P153-N190 PolarHBondContact O-ND2 3.44Å |
| 154 | S | 96.6 | Very high | 96.7 | Very high | 32 Ų | 32 | 57.2 Ų | 57.2 | 22% | 0.224 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -65.8 | 143.9 | 171 | -179.5 | 0 | 0 | 0 | 0 | 111 | H150 G151 E156 A187 | H150-S154 VanDerWaalsContact O-CB 3.31Å; H150-S154 WeakPolarHBondContact O-CB 3.5Å; G151-S154 WeakPolarHBondContact O-CB 3.29Å; G151-S154 PolarHBondContact O-N 2.9Å; S154-E156 PolarHBondContact O-N 3.49Å; S154-E156 WeakPolarHBondContact OG-CG 3.24Å; S154-E156 PolarHBondContact OG-N 3.44Å; S154-A187 VanDerWaalsContact O-CB 3.28Å; S154-A187 WeakPolarHBondContact O-CB 3.38Å |
| 155 | G | 97.8 | Very high | 96.8 | Very high | 6 Ų | 6 | 53.4 Ų | 53.4 | 6% | 0.062 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -10.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | S157 Y158 L159 A187 | G155-S157 VanDerWaalsContact C-N 3.3Å; G155-S157 PolarHBondContact O-N 2.96Å; G155-Y158 PolarHBondContact O-N 3.37Å; G155-L159 WeakPolarHBondContact O-CG 3.04Å; G155-L159 PolarHBondContact O-N 3.48Å; G155-A187 WeakPolarHBondContact CA-O 3.42Å |
| 156 | E | 98.1 | Very high | 96.7 | Very high | 59 Ų | 59 | 56.6 Ų | 56.6 | 28% | 0.276 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -53.9 | -43.6 | -176.4 | -75.5 | 177.1 | -153.8 | 0 | 0 | 112.8 | I148 K149 H150 S154 Y158 L159 F160 | I148-E156 HydrophobicContact CG2-CB 4.2Å; K149-E156 PolarHBondContact N-OE2 3.42Å; H150-E156 IonicContact CE1-OE1 3.68Å; H150-E156 IonicContact CG-OE1 2.77Å; H150-E156 PolarHBondContact N-OE2 3.36Å; H150-E156 IonicContact ND1-OE1 3.39Å; H150-E156 PolarHBondContact ND1-OE1 2.94Å; H150-E156 IonicContact ND1-OE2 2.8Å; S154-E156 PolarHBondContact O-N 3.49Å; S154-E156 WeakPolarHBondContact OG-CG 3.24Å; S154-E156 PolarHBondContact OG-N 3.44Å; E156-Y158 PolarHBondContact O-N 2.84Å; E156-L159 PolarHBondContact O-N 3.19Å; E156-F160 VanDerWaalsContact O-CB 3.25Å; E156-F160 WeakPolarHBondContact O-CB 3.49Å; E156-F160 PolarHBondContact O-N 3.4Å |
| 157 | S | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61.9 | -42.2 | -178.9 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | C114 G155 C161 | C114-S157 PolarHBondContact SG-O 3.35Å; G155-S157 VanDerWaalsContact C-N 3.3Å; G155-S157 PolarHBondContact O-N 2.96Å; S157-C161 WeakPolarHBondContact O-CB 3.3Å; S157-C161 PolarHBondContact O-N 2.96Å |
| 158 | Y | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -75.5 | -37.9 | 177.5 | -72.3 | -55.7 | 0 | 0 | 0 | 112.5 | I13 C114 K152 G155 E156 F160 C161 A162 V177 E179 G184 A187 A188 M193 | I13-Y158 HydrophobicContact CG2-CD1 3.85Å; I13-Y158 HydrophobicContact CG2-CE1 3.94Å; C114-Y158 HydrophobicContact CB-CD1 4.13Å; C114-Y158 HydrophobicContact CB-CE1 3.94Å; K152-Y158 WeakPolarHBondContact CE-OH 3.18Å; K152-Y158 PolarHBondContact NZ-OH 3.28Å; G155-Y158 PolarHBondContact O-N 3.37Å; E156-Y158 PolarHBondContact O-N 2.84Å; Y158-F160 VanDerWaalsContact C-N 3.33Å; Y158-C161 PolarHBondContact O-N 2.78Å; Y158-A162 WeakPolarHBondContact O-CB 3.36Å; Y158-A162 PolarHBondContact O-N 3.34Å; Y158-V177 HydrophobicContact CD1-CG1 4.2Å; Y158-V177 HydrophobicContact CD1-CG2 4.11Å; Y158-V177 HydrophobicContact CE1-CG1 3.6Å; Y158-V177 HydrophobicContact CE1-CG2 4.34Å; Y158-V177 HydrophobicContact CE2-CG1 4.09Å; Y158-V177 HydrophobicContact CG-CG2 4.28Å; Y158-E179 WeakPolarHBondContact OH-CG 3.42Å; Y158-E179 PolarHBondContact OH-OE1 3.43Å; Y158-G184 WeakPolarHBondContact CE2-O 3.47Å; Y158-A187 HydrophobicContact CD2-CB 3.71Å; Y158-A187 HydrophobicContact CE2-CB 3.61Å; Y158-A188 HydrophobicContact CD2-CB 4.14Å; Y158-A188 HydrophobicContact CE2-CB 4.09Å; Y158-M193 WeakPolarHBondContact O-CE 3.34Å |
| 159 | L | 98.6 | Very high | 96.7 | Very high | 79 Ų | 79 | 56.4 Ų | 56.4 | 41% | 0.414 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -61.4 | -43.1 | 173.4 | -69.9 | 170.2 | 0 | 0 | 0 | 111.4 | G155 E156 A162 S163 A191 M193 | G155-L159 WeakPolarHBondContact O-CG 3.04Å; G155-L159 PolarHBondContact O-N 3.48Å; E156-L159 PolarHBondContact O-N 3.19Å; L159-A162 PolarHBondContact O-N 2.88Å; L159-S163 PolarHBondContact O-N 2.51Å; L159-A191 HydrophobicContact CD2-CB 4.15Å; L159-A191 HydrophobicContact CG-CB 3.89Å; L159-M193 HydrophobicContact CD2-CE 4.39Å |
| 160 | F | 98.4 | Very high | 96.7 | Very high | 28 Ų | 28 | 53.4 Ų | 53.4 | 12% | 0.123 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 174.4 | -176.3 | -90.5 | 0 | 0 | 0 | 111.4 | V140 E145 E147 I148 E156 Y158 A162 S163 R164 | V140-F160 HydrophobicContact CG1-CD1 3.92Å; V140-F160 HydrophobicContact CG1-CE1 4.21Å; V140-F160 HydrophobicContact CG2-CD1 4.17Å; V140-F160 HydrophobicContact CG2-CE1 4.28Å; E145-F160 HydrophobicContact CB-CD1 4.5Å; E145-F160 HydrophobicContact CB-CE1 3.94Å; E145-F160 HydrophobicContact CB-CZ 4.16Å; E145-F160 HydrophobicContact CG-CD1 4.48Å; E145-F160 HydrophobicContact CG-CE1 3.83Å; E145-F160 HydrophobicContact CG-CZ 4.41Å; E145-F160 WeakPolarHBondContact OE2-CE1 3.28Å; E145-F160 WeakPolarHBondContact OE2-CZ 3.47Å; E147-F160 HydrophobicContact CB-CD2 3.91Å; E147-F160 HydrophobicContact CB-CE2 3.6Å; E147-F160 HydrophobicContact CG-CE2 4Å; I148-F160 HydrophobicContact CD1-CB 4.06Å; I148-F160 HydrophobicContact CD1-CD1 3.81Å; I148-F160 HydrophobicContact CD1-CE1 4.48Å; I148-F160 HydrophobicContact CD1-CG 4.01Å; I148-F160 HydrophobicContact CG1-CB 3.86Å; I148-F160 HydrophobicContact CG1-CD1 4.09Å; I148-F160 HydrophobicContact CG1-CD2 4.28Å; I148-F160 HydrophobicContact CG1-CG 3.81Å; E156-F160 VanDerWaalsContact O-CB 3.25Å; E156-F160 WeakPolarHBondContact O-CB 3.49Å; E156-F160 PolarHBondContact O-N 3.4Å; Y158-F160 VanDerWaalsContact C-N 3.33Å; F160-A162 VanDerWaalsContact C-N 3.3Å; F160-A162 PolarHBondContact O-N 2.82Å; F160-S163 PolarHBondContact O-N 3.25Å; F160-S163 PolarHBondContact O-OG 2.61Å; F160-R164 HydrophobicContact CD1-CG 4.43Å; F160-R164 HydrophobicContact CE1-CG 4.17Å; F160-R164 VanDerWaalsContact O-CG 3.31Å; F160-R164 WeakPolarHBondContact O-CG 3.44Å; F160-R164 PolarHBondContact O-N 3.29Å |
| 161 | C | 98.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 176.1 | -171.5 | 0 | 0 | 0 | 0 | 112.2 | I13 C114 H138 V140 S157 Y158 R164 | I13-C161 HydrophobicContact CD1-CB 4.1Å; I13-C161 HydrophobicContact CG2-CB 4.45Å; C114-C161 HydrophobicContact CB-CB 3.86Å; H138-C161 PolarHBondContact CE1-O 3.4Å; H138-C161 PolarHBondContact NE2-O 2.95Å; V140-C161 HydrophobicContact CB-CB 4.3Å; V140-C161 HydrophobicContact CG2-CB 3.89Å; S157-C161 WeakPolarHBondContact O-CB 3.3Å; S157-C161 PolarHBondContact O-N 2.96Å; Y158-C161 PolarHBondContact O-N 2.78Å; C161-R164 PolarHBondContact O-N 2.8Å |
| 162 | A | 98.6 | Very high | 97.2 | Very high | 17 Ų | 17 | 51.9 Ų | 51.9 | 14% | 0.14 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -67.1 | -36.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | I13 Y158 L159 F160 R164 F165 M193 | I13-A162 HydrophobicContact CD1-CB 3.96Å; Y158-A162 WeakPolarHBondContact O-CB 3.36Å; Y158-A162 PolarHBondContact O-N 3.34Å; L159-A162 PolarHBondContact O-N 2.88Å; F160-A162 VanDerWaalsContact C-N 3.3Å; F160-A162 PolarHBondContact O-N 2.82Å; A162-R164 PolarHBondContact O-N 2.94Å; A162-F165 WeakPolarHBondContact O-CD2 3.43Å; A162-F165 PolarHBondContact O-N 3.31Å; A162-M193 HydrophobicContact CB-CE 3.72Å |
| 163 | S | 97.7 | Very high | 97.3 | Very high | 83 Ų | 83 | 53 Ų | 53 | 58% | 0.58 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -68.4 | -14.8 | -179.6 | 75.2 | 0 | 0 | 0 | 0 | 113.7 | L159 F160 | L159-S163 PolarHBondContact O-N 2.51Å; F160-S163 PolarHBondContact O-N 3.25Å; F160-S163 PolarHBondContact O-OG 2.61Å |
| 164 | R | 97.9 | Very high | 97.4 | Very high | 150 Ų | 150 | 51.5 Ų | 51.5 | 57% | 0.566 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87 | -7.7 | 179.2 | -64.7 | -70.4 | -69 | -173.5 | -5.4 | 113.5 | H138 F160 C161 A162 | H138-R164 WeakPolarHBondContact NE2-CB 3.32Å; F160-R164 HydrophobicContact CD1-CG 4.43Å; F160-R164 HydrophobicContact CE1-CG 4.17Å; F160-R164 VanDerWaalsContact O-CG 3.31Å; F160-R164 WeakPolarHBondContact O-CG 3.44Å; F160-R164 PolarHBondContact O-N 3.29Å; C161-R164 PolarHBondContact O-N 2.8Å; A162-R164 PolarHBondContact O-N 2.94Å |
| 165 | F | 98.3 | Very high | 97.5 | Very high | 9 Ų | 9 | 50.1 Ų | 50.1 | 4% | 0.039 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -63.1 | 135.8 | 170.8 | -77.6 | -67.5 | 0 | 0 | 0 | 110.4 | H11 I13 P110 A112 N137 H138 A162 D167 | H11-F165 HydrophobicContact CB-CE2 4.22Å; H11-F165 AromaticContact CD2-CD1 3.97Å; H11-F165 AromaticContact CD2-CD2 3.62Å; H11-F165 AromaticContact CD2-CE2 3.91Å; H11-F165 AromaticContact CD2-CG 3.66Å; I13-F165 HydrophobicContact CD1-CE2 4.29Å; I13-F165 HydrophobicContact CG1-CE2 4Å; I13-F165 HydrophobicContact CG1-CZ 4.33Å; P110-F165 HydrophobicContact CB-CD1 3.86Å; P110-F165 HydrophobicContact CB-CE1 3.78Å; A112-F165 HydrophobicContact CB-CE1 3.79Å; A112-F165 HydrophobicContact CB-CE2 4.11Å; A112-F165 HydrophobicContact CB-CZ 3.42Å; A112-F165 VanDerWaalsContact CB-CZ 3.42Å; N137-F165 HydrophobicContact CB-CD1 4.18Å; N137-F165 HydrophobicContact CB-CE1 4.12Å; H138-F165 AromaticContact CE1-CD1 3.64Å; H138-F165 AromaticContact CE1-CE1 3.82Å; H138-F165 AromaticContact CE1-CG 3.78Å; H138-F165 PolarHBondContact CE1-N 3.36Å; A162-F165 WeakPolarHBondContact O-CD2 3.43Å; A162-F165 PolarHBondContact O-N 3.31Å; F165-D167 VanDerWaalsContact C-N 3.32Å; F165-D167 WeakPolarHBondContact CB-O 3.27Å; F165-D167 PolarHBondContact O-N 3.45Å |
| 166 | P | 95 | Very high | 97.6 | Very high | 102 Ų | 102 | 49.8 Ų | 49.8 | 66% | 0.662 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -58.6 | -44.5 | 175.8 | -25 | 34 | 0 | 0 | 0 | 112.6 | ||
| 167 | D | 95.6 | Very high | 97.6 | Very high | 126 Ų | 126 | 47 Ų | 47 | 67% | 0.674 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -104.1 | 113.9 | 171.9 | -65 | -46 | 0 | 0 | 0 | 108 | H11 F165 | H11-D167 PolarHBondContact NE2-O 2.92Å; F165-D167 VanDerWaalsContact C-N 3.32Å; F165-D167 WeakPolarHBondContact CB-O 3.27Å; F165-D167 PolarHBondContact O-N 3.45Å |
| 168 | P | 95.3 | Very high | 97.7 | Very high | 99 Ų | 99 | 47 Ų | 47 | 64% | 0.643 | 28% | 0.278 | S | S | * | . | trans | -74.8 | 145.7 | -174.9 | 27.7 | -33.6 | 0 | 0 | 0 | 112.1 | ||||
| 169 | A | 97.2 | Very high | 97.6 | Very high | 22 Ų | 22 | 47 Ų | 47 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | trans | -59.2 | 142.5 | 168 | 0 | 0 | 0 | 0 | 0 | 110.7 | H11 C171 V175 | H11-A169 HydrophobicContact CB-CB 4.25Å; H11-A169 WeakPolarHBondContact ND1-CB 3.5Å; A169-C171 PolarHBondContact O-N 2.87Å; A169-V175 HydrophobicContact CB-CG2 3.63Å | ||
| 170 | P | 96.3 | Very high | 97.5 | Very high | 108 Ų | 108 | 43.6 Ų | 43.6 | 70% | 0.701 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -64.8 | -26.6 | -175.6 | 24.6 | -34.1 | 0 | 0 | 0 | 113.4 | ||
| 171 | C | 96.9 | Very high | 97.4 | Very high | 50 Ų | 50 | 42.3 Ų | 42.3 | 34% | 0.338 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -159.5 | 161 | 171 | 65.6 | 0 | 0 | 0 | 0 | 110.1 | A169 S173 S174 | A169-C171 PolarHBondContact O-N 2.87Å; C171-S173 PolarHBondContact O-N 2.77Å; C171-S173 PolarHBondContact SG-OG 2.67Å; C171-S174 WeakPolarHBondContact O-CB 3.26Å; C171-S174 PolarHBondContact O-N 2.79Å; C171-S174 PolarHBondContact SG-OG 3.22Å |
| 172 | P | 97.6 | Very high | 97.2 | Very high | 59 Ų | 59 | 44.8 Ų | 44.8 | 38% | 0.383 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -56.2 | -35.8 | 180 | -27 | 34.8 | 0 | 0 | 0 | 114 | S174 V175 A191 G192 M193 | P172-S174 PolarHBondContact O-N 2.94Å; P172-S174 VanDerWaalsContact O-N 3.09Å; P172-V175 WeakPolarHBondContact O-CB 3.24Å; P172-V175 PolarHBondContact O-N 2.98Å; P172-A191 WeakPolarHBondContact CB-O 3.44Å; P172-G192 CarbonylContact C-O 3.33Å; P172-M193 HydrophobicContact CB-CG 4.31Å; P172-M193 WeakPolarHBondContact O-CA 3.37Å; P172-M193 WeakPolarHBondContact O-CG 3.15Å |
| 173 | S | 97 | Very high | 97 | Very high | 34 Ų | 34 | 45.3 Ų | 45.3 | 24% | 0.238 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -68.2 | -10.5 | 178.5 | 64.3 | 0 | 0 | 0 | 0 | 114.6 | C171 V175 G192 Q194 | C171-S173 PolarHBondContact O-N 2.77Å; C171-S173 PolarHBondContact SG-OG 2.67Å; S173-V175 VanDerWaalsContact C-N 3.3Å; S173-G192 VanDerWaalsContact CA-O 3.26Å; S173-G192 WeakPolarHBondContact CA-O 3.43Å; S173-G192 PolarHBondContact N-O 3.37Å; S173-G192 VanDerWaalsContact N-O 3.12Å; S173-Q194 PolarHBondContact O-NE2 3.2Å |
| 174 | S | 97.8 | Very high | 97 | Very high | 19 Ų | 19 | 41.3 Ų | 41.3 | 13% | 0.133 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -88.7 | 4.5 | 172.1 | -55 | 0 | 0 | 0 | 0 | 113 | V9 S10 H11 C171 P172 | V9-S174 CarbonylContact C-O 3.58Å; V9-S174 WeakPolarHBondContact CA-O 3.28Å; V9-S174 WeakPolarHBondContact CB-O 3.14Å; S10-S174 PolarHBondContact N-O 3.2Å; S10-S174 PolarHBondContact OG-O 3.36Å; H11-S174 PolarHBondContact N-O 3.38Å; C171-S174 WeakPolarHBondContact O-CB 3.26Å; C171-S174 PolarHBondContact O-N 2.79Å; C171-S174 PolarHBondContact SG-OG 3.22Å; P172-S174 PolarHBondContact O-N 2.94Å; P172-S174 VanDerWaalsContact O-N 3.09Å |
| 175 | V | 98.7 | Very high | 97 | Very high | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.012 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 131.8 | 172.5 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | H11 I13 A169 P172 S173 M193 Q194 | H11-V175 HydrophobicContact CB-CG1 4.43Å; H11-V175 HydrophobicContact CB-CG2 4.22Å; H11-V175 WeakPolarHBondContact O-CA 3.28Å; I13-V175 HydrophobicContact CD1-CG1 3.76Å; I13-V175 HydrophobicContact CG1-CG1 3.86Å; A169-V175 HydrophobicContact CB-CG2 3.63Å; P172-V175 WeakPolarHBondContact O-CB 3.24Å; P172-V175 PolarHBondContact O-N 2.98Å; S173-V175 VanDerWaalsContact C-N 3.3Å; V175-M193 HydrophobicContact CB-CB 4.41Å; V175-M193 HydrophobicContact CB-CE 4.24Å; V175-M193 HydrophobicContact CB-CG 3.99Å; V175-M193 HydrophobicContact CB-SD 3.84Å; V175-M193 HydrophobicContact CG1-CE 4.21Å; V175-M193 HydrophobicContact CG1-CG 4.43Å; V175-M193 HydrophobicContact CG1-SD 3.65Å; V175-M193 HydrophobicContact CG2-CE 4.27Å; V175-Q194 PolarHBondContact O-N 3.37Å |
| 176 | L | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 119 | 171.7 | -169.8 | 59 | 0 | 0 | 0 | 110.1 | V9 H11 V12 I13 F178 Q194 V196 F221 F226 | V9-L176 HydrophobicContact CB-CB 4.22Å; V9-L176 HydrophobicContact CG1-CB 4.04Å; V9-L176 HydrophobicContact CG2-CB 3.95Å; V9-L176 HydrophobicContact CG2-CD2 4.36Å; H11-L176 PolarHBondContact O-N 3.41Å; V12-L176 CarbonylContact C-O 3.59Å; V12-L176 VanDerWaalsContact CA-O 3.29Å; V12-L176 WeakPolarHBondContact CA-O 3.34Å; V12-L176 HydrophobicContact CG2-CB 4.49Å; I13-L176 PolarHBondContact N-O 3.13Å; L176-F178 HydrophobicContact CD2-CE2 3.68Å; L176-F178 HydrophobicContact CD2-CZ 3.92Å; L176-F178 HydrophobicContact CG-CD2 4.44Å; L176-F178 HydrophobicContact CG-CE2 3.96Å; L176-Q194 HydrophobicContact CD1-CB 3.77Å; L176-V196 HydrophobicContact CD1-CG2 3.92Å; L176-V196 HydrophobicContact CD2-CG2 4.11Å; L176-V196 HydrophobicContact CG-CG2 4.23Å; L176-F221 HydrophobicContact CD2-CE2 4.04Å; L176-F221 HydrophobicContact CD2-CZ 3.78Å; L176-F226 HydrophobicContact CD1-CD1 3.67Å; L176-F226 HydrophobicContact CD1-CE1 3.4Å; L176-F226 HydrophobicContact CD1-CG 4.38Å; L176-F226 HydrophobicContact CD1-CZ 3.92Å; L176-F226 HydrophobicContact CD2-CB 4.3Å; L176-F226 HydrophobicContact CD2-CD1 3.96Å; L176-F226 HydrophobicContact CD2-CD2 4.05Å; L176-F226 HydrophobicContact CD2-CE1 4.29Å; L176-F226 HydrophobicContact CD2-CE2 4.37Å; L176-F226 HydrophobicContact CD2-CG 3.84Å; L176-F226 HydrophobicContact CD2-CZ 4.48Å; L176-F226 HydrophobicContact CG-CD1 4.41Å; L176-F226 HydrophobicContact CG-CE1 4.49Å |
| 177 | V | 98.9 | Very high | 97 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 139 | 172 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | I13 Y158 E179 A188 M193 Q194 V195 V196 | I13-V177 HydrophobicContact CB-CG2 4.45Å; I13-V177 CarbonylContact O-C 3.48Å; I13-V177 VanDerWaalsContact O-CA 3.23Å; I13-V177 WeakPolarHBondContact O-CA 2.93Å; Y158-V177 HydrophobicContact CD1-CG1 4.2Å; Y158-V177 HydrophobicContact CD1-CG2 4.11Å; Y158-V177 HydrophobicContact CE1-CG1 3.6Å; Y158-V177 HydrophobicContact CE1-CG2 4.34Å; Y158-V177 HydrophobicContact CE2-CG1 4.09Å; Y158-V177 HydrophobicContact CG-CG2 4.28Å; V177-E179 HydrophobicContact CG1-CG 4.02Å; V177-A188 HydrophobicContact CB-CB 3.71Å; V177-A188 HydrophobicContact CG1-CB 3.92Å; V177-A188 HydrophobicContact CG2-CB 3.72Å; V177-M193 HydrophobicContact CG2-CB 4.03Å; V177-M193 HydrophobicContact CG2-CG 4.48Å; V177-M193 HydrophobicContact CG2-SD 3.6Å; V177-Q194 PolarHBondContact N-O 3.02Å; V177-V195 HydrophobicContact CB-CB 4.34Å; V177-V195 HydrophobicContact CB-CG2 4.15Å; V177-V195 HydrophobicContact CG1-CG2 4.32Å; V177-V195 CarbonylContact O-C 3.53Å; V177-V195 VanDerWaalsContact O-CA 3.26Å; V177-V195 WeakPolarHBondContact O-CA 3.41Å; V177-V196 PolarHBondContact O-N 3.24Å |
| 178 | F | 98.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 134.3 | 163.3 | -71.8 | -102.1 | 0 | 0 | 0 | 109.3 | V12 I13 F14 D15 L19 L100 L176 V196 L218 F221 | V12-F178 HydrophobicContact CG1-CD2 3.62Å; V12-F178 HydrophobicContact CG1-CE2 3.59Å; I13-F178 PolarHBondContact O-N 3.25Å; F14-F178 HydrophobicContact CD1-CB 3.66Å; F14-F178 AromaticContact CD1-CD2 3.92Å; F14-F178 HydrophobicContact CD1-CD2 3.92Å; F14-F178 AromaticContact CD1-CG 3.9Å; F14-F178 HydrophobicContact CD1-CG 3.9Å; F14-F178 HydrophobicContact CE1-CB 3.98Å; F14-F178 HydrophobicContact CE1-CD1 4.31Å; F14-F178 AromaticContact CE1-CD2 3.48Å; F14-F178 HydrophobicContact CE1-CD2 3.48Å; F14-F178 VanDerWaalsContact CE1-CD2 3.48Å; F14-F178 AromaticContact CE1-CE2 3.99Å; F14-F178 HydrophobicContact CE1-CE2 3.99Å; F14-F178 AromaticContact CE1-CG 3.67Å; F14-F178 HydrophobicContact CE1-CG 3.67Å; F14-F178 AromaticContact CZ-CD2 3.94Å; F14-F178 HydrophobicContact CZ-CD2 3.94Å; F14-F178 HydrophobicContact CZ-CE2 4.12Å; D15-F178 PolarHBondContact N-O 3.33Å; L19-F178 HydrophobicContact CD1-CB 4.27Å; L19-F178 HydrophobicContact CD2-CB 3.56Å; L19-F178 WeakPolarHBondContact CD2-O 3.29Å; L19-F178 HydrophobicContact CG-CB 4.46Å; L100-F178 HydrophobicContact CD2-CD1 4.37Å; L100-F178 HydrophobicContact CD2-CE1 3.84Å; L100-F178 HydrophobicContact CD2-CE2 4.35Å; L100-F178 HydrophobicContact CD2-CZ 3.83Å; L176-F178 HydrophobicContact CD2-CE2 3.68Å; L176-F178 HydrophobicContact CD2-CZ 3.92Å; L176-F178 HydrophobicContact CG-CD2 4.44Å; L176-F178 HydrophobicContact CG-CE2 3.96Å; F178-V196 WeakPolarHBondContact CA-O 3.48Å; F178-V196 HydrophobicContact CD1-CB 3.69Å; F178-V196 HydrophobicContact CD1-CG1 3.91Å; F178-V196 HydrophobicContact CD1-CG2 4.36Å; F178-V196 HydrophobicContact CE1-CB 3.73Å; F178-V196 HydrophobicContact CE1-CG1 3.82Å; F178-V196 HydrophobicContact CE1-CG2 3.95Å; F178-V196 HydrophobicContact CG-CB 4.31Å; F178-V196 HydrophobicContact CZ-CB 4.36Å; F178-V196 HydrophobicContact CZ-CG2 4.15Å; F178-L218 HydrophobicContact CD1-CD2 3.61Å; F178-L218 HydrophobicContact CE1-CD2 3.95Å; F178-F221 HydrophobicContact CE1-CD1 4.3Å; F178-F221 AromaticContact CE1-CD2 3.84Å; F178-F221 HydrophobicContact CE1-CD2 3.84Å; F178-F221 HydrophobicContact CE1-CE1 4.49Å; F178-F221 HydrophobicContact CE1-CE2 4.07Å; F178-F221 AromaticContact CE1-CG 3.97Å; F178-F221 HydrophobicContact CE1-CG 3.97Å; F178-F221 HydrophobicContact CE1-CZ 4.4Å; F178-F221 HydrophobicContact CE2-CZ 4.45Å; F178-F221 AromaticContact CZ-CD1 3.94Å; F178-F221 HydrophobicContact CZ-CD1 3.94Å; F178-F221 AromaticContact CZ-CD2 3.85Å; F178-F221 HydrophobicContact CZ-CD2 3.85Å; F178-F221 AromaticContact CZ-CE1 3.71Å; F178-F221 HydrophobicContact CZ-CE1 3.71Å; F178-F221 AromaticContact CZ-CE2 3.64Å; F178-F221 HydrophobicContact CZ-CE2 3.64Å; F178-F221 HydrophobicContact CZ-CG 4Å; F178-F221 AromaticContact CZ-CZ 3.58Å; F178-F221 HydrophobicContact CZ-CZ 3.58Å |
| 179 | E | 98.2 | Very high | 97.2 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 159.9 | -174.6 | -102.4 | -76.6 | -171.7 | 0 | 0 | 112.1 | D15 K152 Y158 V177 S181 G184 V185 V195 V196 M197 V198 | D15-E179 HydrophobicContact CB-CG 4.15Å; K152-E179 WeakPolarHBondContact CE-OE1 3.31Å; K152-E179 IonicContact NZ-OE1 3.63Å; K152-E179 PolarHBondContact NZ-OE1 2.93Å; Y158-E179 WeakPolarHBondContact OH-CG 3.42Å; Y158-E179 PolarHBondContact OH-OE1 3.43Å; V177-E179 HydrophobicContact CG1-CG 4.02Å; E179-S181 PolarHBondContact OE2-N 2.97Å; E179-S181 PolarHBondContact OE2-OG 3.06Å; E179-G184 WeakPolarHBondContact OE1-CA 3.34Å; E179-V185 HydrophobicContact CB-CG2 4.21Å; E179-V195 HydrophobicContact CB-CG2 4.14Å; E179-V196 PolarHBondContact N-O 3.36Å; E179-M197 CarbonylContact O-C 3.46Å; E179-M197 WeakPolarHBondContact O-CA 3.2Å; E179-V198 PolarHBondContact O-N 3.21Å |
| 180 | D | 96.8 | Very high | 97.3 | Very high | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.037 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -116.9 | -20.7 | 173.9 | 76 | -46.5 | 0 | 0 | 0 | 112.1 | L19 M52 M197 V198 | L19-D180 HydrophobicContact CB-CB 4.35Å; M52-D180 WeakPolarHBondContact CE-OD2 3.5Å; D180-M197 WeakPolarHBondContact O-CE 2.99Å; D180-V198 WeakPolarHBondContact CA-O 3.24Å; D180-V198 VanDerWaalsContact CB-O 3.27Å; D180-V198 WeakPolarHBondContact CB-O 3.31Å |
| 181 | S | 95.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.007 | 13% | 0.127 | C | C | . | . | S | Bend | trans | -102.4 | 148.9 | -170.7 | 73.8 | 0 | 0 | 0 | 0 | 113 | E179 N183 G184 V185 | E179-S181 PolarHBondContact OE2-N 2.97Å; E179-S181 PolarHBondContact OE2-OG 3.06Å; S181-N183 VanDerWaalsContact C-N 3.33Å; S181-N183 PolarHBondContact O-N 3.21Å; S181-G184 PolarHBondContact O-N 3.14Å; S181-G184 WeakPolarHBondContact OG-CA 3.41Å; S181-G184 PolarHBondContact OG-N 3.45Å; S181-V185 WeakPolarHBondContact O-CG2 3.28Å; S181-V185 PolarHBondContact O-N 3.2Å |
| 182 | V | 94.9 | Very high | 97.4 | Very high | 52 Ų | 52 | 21.2 Ų | 21.2 | 32% | 0.315 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -62.6 | -40.9 | 175.1 | 178.1 | 0 | 0 | 0 | 0 | 111.3 | G184 V185 Q186 M197 M203 | V182-G184 VanDerWaalsContact C-N 3.29Å; V182-G184 PolarHBondContact O-N 3.26Å; V182-V185 PolarHBondContact O-N 3.01Å; V182-Q186 WeakPolarHBondContact O-CB 3.49Å; V182-Q186 PolarHBondContact O-N 3Å; V182-M197 HydrophobicContact CG2-CE 4.31Å; V182-M203 HydrophobicContact CG2-CE 4.28Å; V182-M203 HydrophobicContact CG2-SD 3.9Å |
| 183 | N | 94.4 | Very high | 97.5 | Very high | 27 Ų | 27 | 18.8 Ų | 18.8 | 14% | 0.144 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.1 | -40.5 | 177.4 | -72.2 | -31.3 | 0 | 0 | 0 | 111.5 | M52 K152 P153 S181 Q186 A187 | M52-N183 PolarHBondContact O-ND2 3Å; K152-N183 HydrophobicContact CB-CB 4.32Å; P153-N183 WeakPolarHBondContact CA-O 3.39Å; S181-N183 VanDerWaalsContact C-N 3.33Å; S181-N183 PolarHBondContact O-N 3.21Å; N183-Q186 PolarHBondContact O-N 2.79Å; N183-A187 WeakPolarHBondContact O-CB 3.44Å; N183-A187 PolarHBondContact O-N 2.8Å |
| 184 | G | 97 | Very high | 97.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -65.8 | -47.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y158 E179 S181 V182 Q186 A187 A188 | Y158-G184 WeakPolarHBondContact CE2-O 3.47Å; E179-G184 WeakPolarHBondContact OE1-CA 3.34Å; S181-G184 PolarHBondContact O-N 3.14Å; S181-G184 WeakPolarHBondContact OG-CA 3.41Å; S181-G184 PolarHBondContact OG-N 3.45Å; V182-G184 VanDerWaalsContact C-N 3.29Å; V182-G184 PolarHBondContact O-N 3.26Å; G184-Q186 VanDerWaalsContact C-N 3.28Å; G184-Q186 PolarHBondContact O-N 3.2Å; G184-A187 WeakPolarHBondContact O-CB 3.21Å; G184-A187 PolarHBondContact O-N 3.44Å; G184-A188 PolarHBondContact O-N 2.76Å |
| 185 | V | 97 | Very high | 97.5 | Very high | 3 Ų | 3 | 16.9 Ų | 16.9 | 2% | 0.018 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -55.6 | -47 | 171.9 | 168.5 | 0 | 0 | 0 | 0 | 110.4 | E179 S181 V182 A187 A188 L189 V195 M197 L210 A211 | E179-V185 HydrophobicContact CB-CG2 4.21Å; S181-V185 WeakPolarHBondContact O-CG2 3.28Å; S181-V185 PolarHBondContact O-N 3.2Å; V182-V185 PolarHBondContact O-N 3.01Å; V185-A187 VanDerWaalsContact C-N 3.34Å; V185-A187 PolarHBondContact O-N 3.25Å; V185-A188 PolarHBondContact O-N 3.39Å; V185-L189 HydrophobicContact CG1-CD1 3.97Å; V185-L189 HydrophobicContact CG1-CG 4.49Å; V185-L189 VanDerWaalsContact O-CG 3.27Å; V185-L189 WeakPolarHBondContact O-CG 3.26Å; V185-L189 PolarHBondContact O-N 2.99Å; V185-V195 HydrophobicContact CG1-CG1 4.02Å; V185-V195 HydrophobicContact CG2-CG2 4.14Å; V185-M197 HydrophobicContact CG2-CB 3.93Å; V185-M197 HydrophobicContact CG2-CE 4.13Å; V185-M197 HydrophobicContact CG2-CG 3.7Å; V185-M197 HydrophobicContact CG2-SD 3.82Å; V185-L210 HydrophobicContact CG1-CB 4.06Å; V185-A211 HydrophobicContact CG1-CB 4.22Å; V185-A211 HydrophobicContact CG2-CB 4.49Å |
| 186 | Q | 96.6 | Very high | 97.5 | Very high | 62 Ų | 62 | 16.8 Ų | 16.8 | 29% | 0.29 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -64 | -38.8 | 178.6 | -170 | 61.5 | 62.8 | 0 | 0 | 112.3 | P153 V182 N183 G184 L189 N190 | P153-Q186 HydrophobicContact CB-CB 3.86Å; P153-Q186 HydrophobicContact CB-CG 3.89Å; V182-Q186 WeakPolarHBondContact O-CB 3.49Å; V182-Q186 PolarHBondContact O-N 3Å; N183-Q186 PolarHBondContact O-N 2.79Å; G184-Q186 VanDerWaalsContact C-N 3.28Å; G184-Q186 PolarHBondContact O-N 3.2Å; Q186-L189 PolarHBondContact O-N 3.48Å; Q186-N190 PolarHBondContact NE2-OD1 2.89Å; Q186-N190 VanDerWaalsContact O-CB 3.26Å; Q186-N190 WeakPolarHBondContact O-CB 3.36Å; Q186-N190 PolarHBondContact O-N 2.84Å; Q186-N190 PolarHBondContact O-ND2 3.02Å |
| 187 | A | 97.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -61.6 | -44.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | K152 P153 S154 G155 Y158 N183 G184 V185 L189 N190 A191 | K152-A187 HydrophobicContact CB-CB 4.12Å; K152-A187 HydrophobicContact CG-CB 3.87Å; P153-A187 VanDerWaalsContact O-CA 3.24Å; P153-A187 WeakPolarHBondContact O-CA 3.4Å; P153-A187 PolarHBondContact O-N 2.88Å; S154-A187 VanDerWaalsContact O-CB 3.28Å; S154-A187 WeakPolarHBondContact O-CB 3.38Å; G155-A187 WeakPolarHBondContact CA-O 3.42Å; Y158-A187 HydrophobicContact CD2-CB 3.71Å; Y158-A187 HydrophobicContact CE2-CB 3.61Å; N183-A187 WeakPolarHBondContact O-CB 3.44Å; N183-A187 PolarHBondContact O-N 2.8Å; G184-A187 WeakPolarHBondContact O-CB 3.21Å; G184-A187 PolarHBondContact O-N 3.44Å; V185-A187 VanDerWaalsContact C-N 3.34Å; V185-A187 PolarHBondContact O-N 3.25Å; A187-L189 VanDerWaalsContact C-N 3.34Å; A187-L189 PolarHBondContact O-N 2.83Å; A187-N190 PolarHBondContact O-N 2.81Å; A187-A191 WeakPolarHBondContact O-CB 3.4Å; A187-A191 PolarHBondContact O-N 3.49Å |
| 188 | A | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.9 | -43.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y158 V177 G184 V185 A191 G192 M193 V195 | Y158-A188 HydrophobicContact CD2-CB 4.14Å; Y158-A188 HydrophobicContact CE2-CB 4.09Å; V177-A188 HydrophobicContact CB-CB 3.71Å; V177-A188 HydrophobicContact CG1-CB 3.92Å; V177-A188 HydrophobicContact CG2-CB 3.72Å; G184-A188 PolarHBondContact O-N 2.76Å; V185-A188 PolarHBondContact O-N 3.39Å; A188-A191 WeakPolarHBondContact O-CB 3.24Å; A188-A191 PolarHBondContact O-N 3.01Å; A188-G192 PolarHBondContact O-N 3.29Å; A188-M193 WeakPolarHBondContact O-CB 3.44Å; A188-M193 PolarHBondContact O-N 3.02Å; A188-V195 HydrophobicContact CB-CB 3.81Å; A188-V195 HydrophobicContact CB-CG1 4.41Å; A188-V195 HydrophobicContact CB-CG2 3.98Å |
| 189 | L | 97.5 | Very high | 97.3 | Very high | 41 Ų | 41 | 17.7 Ų | 17.7 | 22% | 0.215 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -65.2 | -42 | 176.7 | -66.1 | 174 | 0 | 0 | 0 | 111.9 | V185 Q186 A187 A191 G192 V195 L210 | V185-L189 HydrophobicContact CG1-CD1 3.97Å; V185-L189 HydrophobicContact CG1-CG 4.49Å; V185-L189 VanDerWaalsContact O-CG 3.27Å; V185-L189 WeakPolarHBondContact O-CG 3.26Å; V185-L189 PolarHBondContact O-N 2.99Å; Q186-L189 PolarHBondContact O-N 3.48Å; A187-L189 VanDerWaalsContact C-N 3.34Å; A187-L189 PolarHBondContact O-N 2.83Å; L189-A191 PolarHBondContact O-N 3.48Å; L189-G192 PolarHBondContact O-N 3.28Å; L189-V195 HydrophobicContact CD2-CG1 4.04Å; L189-V195 HydrophobicContact CG-CG1 4.18Å; L189-L210 HydrophobicContact CD1-CB 4.01Å |
| 190 | N | 98 | Very high | 97.1 | Very high | 92 Ų | 92 | 19.3 Ų | 19.3 | 49% | 0.492 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -65.6 | -26.9 | 176.1 | -73.4 | -11.9 | 0 | 0 | 0 | 112.3 | P153 Q186 A187 G192 | P153-N190 PolarHBondContact O-ND2 3.44Å; Q186-N190 PolarHBondContact NE2-OD1 2.89Å; Q186-N190 VanDerWaalsContact O-CB 3.26Å; Q186-N190 WeakPolarHBondContact O-CB 3.36Å; Q186-N190 PolarHBondContact O-N 2.84Å; Q186-N190 PolarHBondContact O-ND2 3.02Å; A187-N190 PolarHBondContact O-N 2.81Å; N190-G192 PolarHBondContact O-N 3.17Å |
| 191 | A | 98.5 | Very high | 97 | Very high | 6 Ų | 6 | 24.4 Ų | 24.4 | 5% | 0.05 | 15% | 0.147 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -4.2 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | L159 P172 A187 A188 L189 M193 | L159-A191 HydrophobicContact CD2-CB 4.15Å; L159-A191 HydrophobicContact CG-CB 3.89Å; P172-A191 WeakPolarHBondContact CB-O 3.44Å; A187-A191 WeakPolarHBondContact O-CB 3.4Å; A187-A191 PolarHBondContact O-N 3.49Å; A188-A191 WeakPolarHBondContact O-CB 3.24Å; A188-A191 PolarHBondContact O-N 3.01Å; L189-A191 PolarHBondContact O-N 3.48Å; A191-M193 VanDerWaalsContact C-N 3.32Å; A191-M193 HydrophobicContact CB-CE 4.12Å; A191-M193 HydrophobicContact CB-CG 3.94Å; A191-M193 HydrophobicContact CB-SD 4.14Å |
| 192 | G | 97.9 | Very high | 96.8 | Very high | 40 Ų | 40 | 29.7 Ų | 29.7 | 41% | 0.412 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.2 | 18.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | P172 S173 A188 L189 N190 | P172-G192 CarbonylContact C-O 3.33Å; S173-G192 VanDerWaalsContact CA-O 3.26Å; S173-G192 WeakPolarHBondContact CA-O 3.43Å; S173-G192 PolarHBondContact N-O 3.37Å; S173-G192 VanDerWaalsContact N-O 3.12Å; A188-G192 PolarHBondContact O-N 3.29Å; L189-G192 PolarHBondContact O-N 3.28Å; N190-G192 PolarHBondContact O-N 3.17Å |
| 193 | M | 98.3 | Very high | 96.8 | Very high | 8 Ų | 8 | 27.3 Ų | 27.3 | 4% | 0.039 | 15% | 0.152 | C | C | . | . | trans | -94.4 | 165.1 | -178.2 | -56.6 | -176.6 | 176.7 | 0 | 0 | 111.9 | I13 Y158 L159 A162 P172 V175 V177 A188 A191 | I13-M193 HydrophobicContact CD1-CE 4.39Å; I13-M193 HydrophobicContact CD1-SD 4.39Å; Y158-M193 WeakPolarHBondContact O-CE 3.34Å; L159-M193 HydrophobicContact CD2-CE 4.39Å; A162-M193 HydrophobicContact CB-CE 3.72Å; P172-M193 HydrophobicContact CB-CG 4.31Å; P172-M193 WeakPolarHBondContact O-CA 3.37Å; P172-M193 WeakPolarHBondContact O-CG 3.15Å; V175-M193 HydrophobicContact CB-CB 4.41Å; V175-M193 HydrophobicContact CB-CE 4.24Å; V175-M193 HydrophobicContact CB-CG 3.99Å; V175-M193 HydrophobicContact CB-SD 3.84Å; V175-M193 HydrophobicContact CG1-CE 4.21Å; V175-M193 HydrophobicContact CG1-CG 4.43Å; V175-M193 HydrophobicContact CG1-SD 3.65Å; V175-M193 HydrophobicContact CG2-CE 4.27Å; V177-M193 HydrophobicContact CG2-CB 4.03Å; V177-M193 HydrophobicContact CG2-CG 4.48Å; V177-M193 HydrophobicContact CG2-SD 3.6Å; A188-M193 WeakPolarHBondContact O-CB 3.44Å; A188-M193 PolarHBondContact O-N 3.02Å; A191-M193 VanDerWaalsContact C-N 3.32Å; A191-M193 HydrophobicContact CB-CE 4.12Å; A191-M193 HydrophobicContact CB-CG 3.94Å; A191-M193 HydrophobicContact CB-SD 4.14Å | ||
| 194 | Q | 98.1 | Very high | 96.6 | Very high | 13 Ų | 13 | 27.7 Ų | 27.7 | 6% | 0.061 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 151.2 | 167 | -66.6 | -177.5 | 90.2 | 0 | 0 | 109.5 | K7 S173 V175 L176 V177 T212 F226 | K7-Q194 PolarHBondContact O-NE2 2.74Å; K7-Q194 PolarHBondContact O-OE1 3.04Å; S173-Q194 PolarHBondContact O-NE2 3.2Å; V175-Q194 PolarHBondContact O-N 3.37Å; L176-Q194 HydrophobicContact CD1-CB 3.77Å; V177-Q194 PolarHBondContact N-O 3.02Å; Q194-T212 HydrophobicContact CB-CG2 4.43Å; Q194-F226 HydrophobicContact CB-CE1 4.36Å |
| 195 | V | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 129.1 | -177.9 | 63.4 | 0 | 0 | 0 | 0 | 113 | V177 E179 V185 A188 L189 A211 T212 Q213 | V177-V195 HydrophobicContact CB-CB 4.34Å; V177-V195 HydrophobicContact CB-CG2 4.15Å; V177-V195 HydrophobicContact CG1-CG2 4.32Å; V177-V195 CarbonylContact O-C 3.53Å; V177-V195 VanDerWaalsContact O-CA 3.26Å; V177-V195 WeakPolarHBondContact O-CA 3.41Å; E179-V195 HydrophobicContact CB-CG2 4.14Å; V185-V195 HydrophobicContact CG1-CG1 4.02Å; V185-V195 HydrophobicContact CG2-CG2 4.14Å; A188-V195 HydrophobicContact CB-CB 3.81Å; A188-V195 HydrophobicContact CB-CG1 4.41Å; A188-V195 HydrophobicContact CB-CG2 3.98Å; L189-V195 HydrophobicContact CD2-CG1 4.04Å; L189-V195 HydrophobicContact CG-CG1 4.18Å; V195-A211 HydrophobicContact CG1-CB 4.12Å; V195-T212 PolarHBondContact N-OG1 3.32Å; V195-T212 WeakPolarHBondContact O-CA 3.36Å; V195-T212 WeakPolarHBondContact O-CB 3.33Å; V195-T212 PolarHBondContact O-N 2.93Å; V195-Q213 PolarHBondContact O-N 3.5Å |
| 196 | V | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 123.3 | 165.1 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | L176 V177 F178 E179 Q213 L215 F221 F226 | L176-V196 HydrophobicContact CD1-CG2 3.92Å; L176-V196 HydrophobicContact CD2-CG2 4.11Å; L176-V196 HydrophobicContact CG-CG2 4.23Å; V177-V196 PolarHBondContact O-N 3.24Å; F178-V196 WeakPolarHBondContact CA-O 3.48Å; F178-V196 HydrophobicContact CD1-CB 3.69Å; F178-V196 HydrophobicContact CD1-CG1 3.91Å; F178-V196 HydrophobicContact CD1-CG2 4.36Å; F178-V196 HydrophobicContact CE1-CB 3.73Å; F178-V196 HydrophobicContact CE1-CG1 3.82Å; F178-V196 HydrophobicContact CE1-CG2 3.95Å; F178-V196 HydrophobicContact CG-CB 4.31Å; F178-V196 HydrophobicContact CZ-CB 4.36Å; F178-V196 HydrophobicContact CZ-CG2 4.15Å; E179-V196 PolarHBondContact N-O 3.36Å; V196-Q213 CarbonylContact C-O 3.56Å; V196-Q213 VanDerWaalsContact CA-O 3.31Å; V196-Q213 WeakPolarHBondContact CA-O 3.44Å; V196-Q213 HydrophobicContact CG2-CB 4.38Å; V196-L215 HydrophobicContact CG1-CD1 3.66Å; V196-L215 HydrophobicContact CG1-CG 3.97Å; V196-F221 HydrophobicContact CG1-CD2 4.49Å; V196-F221 HydrophobicContact CG2-CD2 4.18Å; V196-F221 HydrophobicContact CG2-CE2 3.88Å; V196-F226 HydrophobicContact CG2-CE2 3.99Å; V196-F226 HydrophobicContact CG2-CZ 3.87Å |
| 197 | M | 97.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 132.9 | 175.7 | -167.9 | -173.8 | -166.3 | 0 | 0 | 110.8 | E179 D180 V182 V185 P199 M203 R208 A211 Q213 C214 L215 | E179-M197 CarbonylContact O-C 3.46Å; E179-M197 WeakPolarHBondContact O-CA 3.2Å; D180-M197 WeakPolarHBondContact O-CE 2.99Å; V182-M197 HydrophobicContact CG2-CE 4.31Å; V185-M197 HydrophobicContact CG2-CB 3.93Å; V185-M197 HydrophobicContact CG2-CE 4.13Å; V185-M197 HydrophobicContact CG2-CG 3.7Å; V185-M197 HydrophobicContact CG2-SD 3.82Å; M197-P199 HydrophobicContact CE-CB 3.85Å; M197-P199 HydrophobicContact CG-CB 4.34Å; M197-P199 HydrophobicContact CG-CG 4.43Å; M197-P199 HydrophobicContact SD-CB 4.32Å; M197-P199 HydrophobicContact SD-CG 4.44Å; M197-M203 HydrophobicContact CE-CE 4Å; M197-M203 HydrophobicContact CE-SD 3.52Å; M197-M203 VanDerWaalsContact CE-SD 3.52Å; M197-R208 HydrophobicContact SD-CB 4.47Å; M197-A211 HydrophobicContact CB-CB 3.59Å; M197-Q213 PolarHBondContact N-O 2.7Å; M197-C214 CarbonylContact O-C 3.54Å; M197-C214 WeakPolarHBondContact O-CA 3.28Å; M197-L215 PolarHBondContact O-N 2.75Å |
| 198 | V | 97.7 | Very high | 95 | Very high | 10 Ų | 10 | 39.4 Ų | 39.4 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | trans | -123.8 | 81.9 | 169.4 | -171.3 | 0 | 0 | 0 | 0 | 108.1 | L19 E179 D180 L215 L218 | L19-V198 HydrophobicContact CD1-CB 4Å; L19-V198 HydrophobicContact CD1-CG2 4.12Å; E179-V198 PolarHBondContact O-N 3.21Å; D180-V198 WeakPolarHBondContact CA-O 3.24Å; D180-V198 VanDerWaalsContact CB-O 3.27Å; D180-V198 WeakPolarHBondContact CB-O 3.31Å; V198-L215 HydrophobicContact CG2-CB 4.36Å; V198-L218 HydrophobicContact CG2-CD2 3.77Å; V198-L218 HydrophobicContact CG2-CG 4.19Å | ||
| 199 | P | 96.3 | Very high | 94.5 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 7% | 0.065 | 25% | 0.251 | C | S | . | . | trans | -79.9 | 162.5 | -171.6 | 32.8 | -33.4 | 0 | 0 | 0 | 112.5 | M197 M203 R208 L215 | M197-P199 HydrophobicContact CE-CB 3.85Å; M197-P199 HydrophobicContact CG-CB 4.34Å; M197-P199 HydrophobicContact CG-CG 4.43Å; M197-P199 HydrophobicContact SD-CB 4.32Å; M197-P199 HydrophobicContact SD-CG 4.44Å; P199-M203 HydrophobicContact CB-CB 4.22Å; P199-M203 HydrophobicContact CB-CE 3.99Å; P199-M203 HydrophobicContact CB-SD 3.86Å; P199-R208 HydrophobicContact CG-CG 4.06Å; P199-L215 WeakPolarHBondContact CD-O 3.46Å | ||
| 200 | D | 94.9 | Very high | 94.2 | Very high | 33 Ų | 33 | 46.5 Ų | 46.5 | 18% | 0.176 | 26% | 0.261 | C | S | . | . | trans | -53 | 134 | 163.7 | -175.7 | -55.8 | 0 | 0 | 0 | 109.7 | W45 R202 M203 | W45-D200 HydrophobicContact CH2-CB 3.74Å; W45-D200 HydrophobicContact CZ3-CB 4.38Å; D200-R202 PolarHBondContact O-N 3.41Å; D200-R202 VanDerWaalsContact OD1-CB 3.25Å; D200-R202 WeakPolarHBondContact OD1-CB 3.4Å; D200-R202 WeakPolarHBondContact OD1-CG 3.22Å; D200-R202 IonicContact OD1-CZ 2.87Å; D200-R202 PolarHBondContact OD1-N 3.28Å; D200-R202 IonicContact OD1-NE 2.66Å; D200-R202 PolarHBondContact OD1-NE 3.45Å; D200-R202 VanDerWaalsContact OD1-NE 3.08Å; D200-R202 IonicContact OD1-NH2 2.68Å; D200-R202 IonicContact OD2-CZ 2.74Å; D200-R202 IonicContact OD2-NE 2.61Å; D200-R202 PolarHBondContact OD2-NE 2.93Å; D200-R202 IonicContact OD2-NH2 3.74Å; D200-R202 PolarHBondContact OD2-NH2 3.42Å; D200-M203 VanDerWaalsContact O-CB 3.31Å; D200-M203 WeakPolarHBondContact O-CB 3.48Å; D200-M203 PolarHBondContact O-N 3.14Å | ||
| 201 | P | 92.9 | Very high | 94 | Very high | 114 Ų | 114 | 42.9 Ų | 42.9 | 74% | 0.74 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -25.7 | -178.5 | -27.6 | 34.9 | 0 | 0 | 0 | 114.8 | M203 R208 | P201-M203 VanDerWaalsContact C-N 3.28Å; P201-M203 PolarHBondContact O-N 3.44Å; P201-R208 PolarHBondContact O-NH2 3.29Å |
| 202 | R | 93.2 | Very high | 93.9 | Very high | 112 Ų | 112 | 43.2 Ų | 43.2 | 42% | 0.423 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -11.9 | 178.7 | -61.7 | 174.8 | -70.2 | -179.9 | -3.2 | 113.7 | E28 W45 D200 | E28-R202 IonicContact OE1-NH1 2.88Å; E28-R202 IonicContact OE2-NH1 2.67Å; E28-R202 IonicContact OE2-NH2 2.77Å; W45-R202 HydrophobicContact CD2-CB 4.18Å; W45-R202 VanDerWaalsContact CE3-CZ 3.45Å; W45-R202 HydrophobicContact CH2-CB 4.04Å; W45-R202 HydrophobicContact CZ2-CB 3.58Å; W45-R202 HydrophobicContact CZ3-CB 4.47Å; W45-R202 PolarHBondContact NE1-O 3.24Å; D200-R202 PolarHBondContact O-N 3.41Å; D200-R202 VanDerWaalsContact OD1-CB 3.25Å; D200-R202 WeakPolarHBondContact OD1-CB 3.4Å; D200-R202 WeakPolarHBondContact OD1-CG 3.22Å; D200-R202 IonicContact OD1-CZ 2.87Å; D200-R202 PolarHBondContact OD1-N 3.28Å; D200-R202 IonicContact OD1-NE 2.66Å; D200-R202 PolarHBondContact OD1-NE 3.45Å; D200-R202 VanDerWaalsContact OD1-NE 3.08Å; D200-R202 IonicContact OD1-NH2 2.68Å; D200-R202 IonicContact OD2-CZ 2.74Å; D200-R202 IonicContact OD2-NE 2.61Å; D200-R202 PolarHBondContact OD2-NE 2.93Å; D200-R202 IonicContact OD2-NH2 3.74Å; D200-R202 PolarHBondContact OD2-NH2 3.42Å |
| 203 | M | 93.1 | Very high | 93.8 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.015 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -69.4 | 135.8 | -177.1 | -167.3 | 179 | -65.3 | 0 | 0 | 111.6 | W45 L49 M52 V182 M197 P199 D200 P201 R208 | W45-M203 HydrophobicContact CZ2-CB 4.26Å; L49-M203 HydrophobicContact CD2-CE 3.72Å; L49-M203 HydrophobicContact CD2-CG 4.08Å; M52-M203 HydrophobicContact CE-CE 4.46Å; V182-M203 HydrophobicContact CG2-CE 4.28Å; V182-M203 HydrophobicContact CG2-SD 3.9Å; M197-M203 HydrophobicContact CE-CE 4Å; M197-M203 HydrophobicContact CE-SD 3.52Å; M197-M203 VanDerWaalsContact CE-SD 3.52Å; P199-M203 HydrophobicContact CB-CB 4.22Å; P199-M203 HydrophobicContact CB-CE 3.99Å; P199-M203 HydrophobicContact CB-SD 3.86Å; D200-M203 VanDerWaalsContact O-CB 3.31Å; D200-M203 WeakPolarHBondContact O-CB 3.48Å; D200-M203 PolarHBondContact O-N 3.14Å; P201-M203 VanDerWaalsContact C-N 3.28Å; P201-M203 PolarHBondContact O-N 3.44Å; M203-R208 VanDerWaalsContact O-CZ 3.23Å; M203-R208 PolarHBondContact O-NE 3.27Å; M203-R208 PolarHBondContact O-NH2 3.08Å |
| 204 | A | 91.3 | Very high | 93.7 | Very high | 34 Ų | 34 | 45.6 Ų | 45.6 | 28% | 0.281 | 25% | 0.251 | S | S | . | . | trans | -64.8 | 144.9 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | E206 S207 | A204-E206 VanDerWaalsContact CB-CD 3.44Å; A204-E206 HydrophobicContact CB-CG 4.06Å; A204-E206 WeakPolarHBondContact CB-OE1 3.32Å; A204-E206 PolarHBondContact O-N 3.34Å; A204-S207 PolarHBondContact O-N 2.96Å; A204-S207 VanDerWaalsContact O-N 3.1Å | ||
| 205 | P | 89.1 | Confident | 93.6 | Very high | 91 Ų | 91 | 45.6 Ų | 45.6 | 59% | 0.591 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -53.6 | -37.2 | -178.1 | -28.1 | 35.9 | 0 | 0 | 0 | 114.4 | S207 R208 | P205-S207 VanDerWaalsContact C-N 3.3Å; P205-S207 PolarHBondContact O-N 3.17Å; P205-R208 WeakPolarHBondContact O-CB 3.32Å; P205-R208 PolarHBondContact O-N 3.1Å |
| 206 | E | 89.8 | Confident | 93.5 | Very high | 131 Ų | 131 | 51 Ų | 51 | 61% | 0.612 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -59.9 | -36.2 | 178.7 | 50.8 | -89.8 | -153.1 | 0 | 0 | 113.2 | A204 R208 L209 | A204-E206 VanDerWaalsContact CB-CD 3.44Å; A204-E206 HydrophobicContact CB-CG 4.06Å; A204-E206 WeakPolarHBondContact CB-OE1 3.32Å; A204-E206 PolarHBondContact O-N 3.34Å; E206-R208 PolarHBondContact O-N 3.44Å; E206-L209 PolarHBondContact O-N 2.97Å |
| 207 | S | 86.6 | Confident | 93.5 | Very high | 43 Ų | 43 | 52.1 Ų | 52.1 | 30% | 0.301 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -70.8 | -13.4 | 177.1 | -55.1 | 0 | 0 | 0 | 0 | 112.9 | A204 P205 | A204-S207 PolarHBondContact O-N 2.96Å; A204-S207 VanDerWaalsContact O-N 3.1Å; P205-S207 VanDerWaalsContact C-N 3.3Å; P205-S207 PolarHBondContact O-N 3.17Å |
| 208 | R | 88.9 | Confident | 93.6 | Very high | 47 Ų | 47 | 52.2 Ų | 52.2 | 18% | 0.177 | 29% | 0.288 | C | S | . | . | G | 310 helix | trans | -94.6 | -8.8 | -177.2 | -50.8 | -179.1 | -169.3 | -161.8 | 0.9 | 113.2 | M197 P199 P201 M203 P205 E206 L210 C214 | M197-R208 HydrophobicContact SD-CB 4.47Å; P199-R208 HydrophobicContact CG-CG 4.06Å; P201-R208 PolarHBondContact O-NH2 3.29Å; M203-R208 VanDerWaalsContact O-CZ 3.23Å; M203-R208 PolarHBondContact O-NE 3.27Å; M203-R208 PolarHBondContact O-NH2 3.08Å; P205-R208 WeakPolarHBondContact O-CB 3.32Å; P205-R208 PolarHBondContact O-N 3.1Å; E206-R208 PolarHBondContact O-N 3.44Å; R208-L210 VanDerWaalsContact C-N 3.34Å; R208-L210 PolarHBondContact O-N 3.12Å; R208-C214 HydrophobicContact CB-CB 4.39Å |
| 209 | L | 88.2 | Confident | 93.6 | Very high | 108 Ų | 108 | 56.1 Ų | 56.1 | 57% | 0.565 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -18.7 | -168.4 | -64.1 | 178 | 0 | 0 | 0 | 114.7 | E206 | E206-L209 PolarHBondContact O-N 2.97Š|
| 210 | L | 91 | Very high | 93.7 | Very high | 82 Ų | 82 | 59.9 Ų | 59.9 | 43% | 0.429 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -27.9 | -174.4 | -69.3 | 178.1 | 0 | 0 | 0 | 113.4 | V185 L189 R208 | V185-L210 HydrophobicContact CG1-CB 4.06Å; L189-L210 HydrophobicContact CD1-CB 4.01Å; R208-L210 VanDerWaalsContact C-N 3.34Å; R208-L210 PolarHBondContact O-N 3.12Å |
| 211 | A | 94.9 | Very high | 93.8 | Very high | 15 Ų | 15 | 58.5 Ų | 58.5 | 12% | 0.124 | 32% | 0.317 | C | S | . | . | S | Bend | trans | -66.4 | 153 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V185 V195 M197 Q213 | V185-A211 HydrophobicContact CG1-CB 4.22Å; V185-A211 HydrophobicContact CG2-CB 4.49Å; V195-A211 HydrophobicContact CG1-CB 4.12Å; M197-A211 HydrophobicContact CB-CB 3.59Å; A211-Q213 VanDerWaalsContact C-N 3.26Å; A211-Q213 PolarHBondContact O-N 3.37Å |
| 212 | T | 95.7 | Very high | 94 | Very high | 14 Ų | 14 | 60.8 Ų | 60.8 | 9% | 0.086 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -61.4 | -41.3 | 173.6 | -51.2 | 0 | 0 | 0 | 0 | 110.4 | V6 Q194 V195 F226 | V6-T212 HydrophobicContact CG2-CG2 4.16Å; Q194-T212 HydrophobicContact CB-CG2 4.43Å; V195-T212 PolarHBondContact N-OG1 3.32Å; V195-T212 WeakPolarHBondContact O-CA 3.36Å; V195-T212 WeakPolarHBondContact O-CB 3.33Å; V195-T212 PolarHBondContact O-N 2.93Å; T212-F226 HydrophobicContact CG2-CE1 4.09Å; T212-F226 HydrophobicContact CG2-CZ 4.32Å |
| 213 | Q | 95.5 | Very high | 94.3 | Very high | 48 Ų | 48 | 55.4 Ų | 55.4 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 139.7 | 171.9 | -175.4 | 176.8 | 54.7 | 0 | 0 | 108.6 | V195 V196 M197 A211 L215 F226 | V195-Q213 PolarHBondContact O-N 3.5Å; V196-Q213 CarbonylContact C-O 3.56Å; V196-Q213 VanDerWaalsContact CA-O 3.31Å; V196-Q213 WeakPolarHBondContact CA-O 3.44Å; V196-Q213 HydrophobicContact CG2-CB 4.38Å; M197-Q213 PolarHBondContact N-O 2.7Å; A211-Q213 VanDerWaalsContact C-N 3.26Å; A211-Q213 PolarHBondContact O-N 3.37Å; Q213-L215 HydrophobicContact CG-CD2 3.76Å; Q213-L215 HydrophobicContact CG-CG 4.14Å; Q213-F226 HydrophobicContact CB-CZ 4.27Å |
| 214 | C | 96.2 | Very high | 94.5 | Very high | 49 Ų | 49 | 59.8 Ų | 59.8 | 33% | 0.331 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.9 | 169.9 | -173.2 | 0 | 0 | 0 | 0 | 108.8 | M197 R208 | M197-C214 CarbonylContact O-C 3.54Å; M197-C214 WeakPolarHBondContact O-CA 3.28Å; R208-C214 HydrophobicContact CB-CB 4.39Å |
| 215 | L | 96.4 | Very high | 94.7 | Very high | 14 Ų | 14 | 61.1 Ų | 61.1 | 7% | 0.073 | 32% | 0.316 | C | S | . | . | trans | -123.1 | 158.5 | -179.7 | -54.5 | 177.2 | 0 | 0 | 0 | 109.7 | V196 M197 V198 P199 Q213 E220 F221 | V196-L215 HydrophobicContact CG1-CD1 3.66Å; V196-L215 HydrophobicContact CG1-CG 3.97Å; M197-L215 PolarHBondContact O-N 2.75Å; V198-L215 HydrophobicContact CG2-CB 4.36Å; P199-L215 WeakPolarHBondContact CD-O 3.46Å; Q213-L215 HydrophobicContact CG-CD2 3.76Å; Q213-L215 HydrophobicContact CG-CG 4.14Å; L215-E220 HydrophobicContact CB-CB 4.39Å; L215-E220 HydrophobicContact CD1-CB 4.45Å; L215-E220 HydrophobicContact CD2-CB 4.24Å; L215-F221 HydrophobicContact CD1-CB 3.76Å; L215-F221 HydrophobicContact CD1-CD2 4.11Å; L215-F221 HydrophobicContact CD1-CG 4.44Å | ||
| 216 | N | 96.4 | Very high | 95.1 | Very high | 113 Ų | 113 | 56.8 Ų | 56.8 | 60% | 0.604 | 29% | 0.288 | S | S | * | . | S | Bend | trans | -85.9 | -18.7 | 171.9 | -56.5 | -58.9 | 0 | 0 | 0 | 112.2 | E220 | N216-E220 PolarHBondContact N-OE2 3.3Å; N216-E220 PolarHBondContact ND2-OE1 3.48Å |
| 217 | S | 98.2 | Very high | 95.5 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 16% | 0.161 | 29% | 0.286 | C | S | . | . | trans | -156.7 | 151.2 | -179.7 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | P95 L219 E220 | P95-S217 PolarHBondContact O-OG 3.28Å; S217-L219 PolarHBondContact O-N 3.02Å; S217-L219 VanDerWaalsContact O-N 3.13Å; S217-L219 WeakPolarHBondContact OG-CB 3.28Å; S217-L219 PolarHBondContact OG-N 2.95Å; S217-L219 VanDerWaalsContact OG-N 3.09Å; S217-E220 WeakPolarHBondContact O-CB 3.26Å; S217-E220 PolarHBondContact O-N 2.95Å | ||
| 218 | L | 98.6 | Very high | 96 | Very high | 2 Ų | 2 | 51.7 Ų | 51.7 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -62 | -15.6 | 168.1 | -63.3 | 170.2 | 0 | 0 | 0 | 112.3 | L19 L20 P95 A97 R99 L100 F178 V198 E220 F221 | L19-L218 HydrophobicContact CD1-CD1 4.49Å; L19-L218 HydrophobicContact CD1-CD2 4.19Å; L20-L218 HydrophobicContact CD2-CD1 4.16Å; P95-L218 WeakPolarHBondContact O-CB 3.46Å; A97-L218 HydrophobicContact CB-CD1 3.99Å; R99-L218 PolarHBondContact NH2-O 2.94Å; L100-L218 HydrophobicContact CD2-CD2 4.04Å; F178-L218 HydrophobicContact CD1-CD2 3.61Å; F178-L218 HydrophobicContact CE1-CD2 3.95Å; V198-L218 HydrophobicContact CG2-CD2 3.77Å; V198-L218 HydrophobicContact CG2-CG 4.19Å; L218-E220 PolarHBondContact O-N 2.88Å; L218-F221 PolarHBondContact O-N 3.43Å |
| 219 | L | 98.1 | Very high | 96.5 | Very high | 93 Ų | 93 | 52 Ų | 52 | 49% | 0.487 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -63.9 | -27.2 | 170.8 | -69.6 | 173.3 | 0 | 0 | 0 | 113.1 | P95 R99 S217 | P95-L219 HydrophobicContact CB-CD1 3.89Å; P95-L219 HydrophobicContact CB-CG 4.25Å; R99-L219 VanDerWaalsContact NH2-C 3.27Å; R99-L219 VanDerWaalsContact NH2-CA 3.26Å; R99-L219 PolarHBondContact NH2-O 3.43Å; S217-L219 PolarHBondContact O-N 3.02Å; S217-L219 VanDerWaalsContact O-N 3.13Å; S217-L219 WeakPolarHBondContact OG-CB 3.28Å; S217-L219 PolarHBondContact OG-N 2.95Å; S217-L219 VanDerWaalsContact OG-N 3.09Å |
| 220 | E | 98 | Very high | 96.9 | Very high | 89 Ų | 89 | 49.3 Ų | 49.3 | 42% | 0.416 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -85.3 | -12.4 | -178 | -60.4 | 177.7 | 166.5 | 0 | 0 | 113.1 | L215 N216 S217 L218 R222 | L215-E220 HydrophobicContact CB-CB 4.39Å; L215-E220 HydrophobicContact CD1-CB 4.45Å; L215-E220 HydrophobicContact CD2-CB 4.24Å; N216-E220 PolarHBondContact N-OE2 3.3Å; N216-E220 PolarHBondContact ND2-OE1 3.48Å; S217-E220 WeakPolarHBondContact O-CB 3.26Å; S217-E220 PolarHBondContact O-N 2.95Å; L218-E220 PolarHBondContact O-N 2.88Å; E220-R222 PolarHBondContact O-N 2.69Å |
| 221 | F | 98.1 | Very high | 97.2 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | trans | -63.9 | 137.5 | -177.2 | -178 | -111.4 | 0 | 0 | 0 | 111.1 | L100 L176 F178 V196 L215 L218 P223 F226 F231 | L100-F221 HydrophobicContact CD1-CD1 3.74Å; L100-F221 HydrophobicContact CD1-CE1 3.95Å; L100-F221 HydrophobicContact CD2-CD1 4.33Å; L176-F221 HydrophobicContact CD2-CE2 4.04Å; L176-F221 HydrophobicContact CD2-CZ 3.78Å; F178-F221 HydrophobicContact CE1-CD1 4.3Å; F178-F221 AromaticContact CE1-CD2 3.84Å; F178-F221 HydrophobicContact CE1-CD2 3.84Å; F178-F221 HydrophobicContact CE1-CE1 4.49Å; F178-F221 HydrophobicContact CE1-CE2 4.07Å; F178-F221 AromaticContact CE1-CG 3.97Å; F178-F221 HydrophobicContact CE1-CG 3.97Å; F178-F221 HydrophobicContact CE1-CZ 4.4Å; F178-F221 HydrophobicContact CE2-CZ 4.45Å; F178-F221 AromaticContact CZ-CD1 3.94Å; F178-F221 HydrophobicContact CZ-CD1 3.94Å; F178-F221 AromaticContact CZ-CD2 3.85Å; F178-F221 HydrophobicContact CZ-CD2 3.85Å; F178-F221 AromaticContact CZ-CE1 3.71Å; F178-F221 HydrophobicContact CZ-CE1 3.71Å; F178-F221 AromaticContact CZ-CE2 3.64Å; F178-F221 HydrophobicContact CZ-CE2 3.64Å; F178-F221 HydrophobicContact CZ-CG 4Å; F178-F221 AromaticContact CZ-CZ 3.58Å; F178-F221 HydrophobicContact CZ-CZ 3.58Å; V196-F221 HydrophobicContact CG1-CD2 4.49Å; V196-F221 HydrophobicContact CG2-CD2 4.18Å; V196-F221 HydrophobicContact CG2-CE2 3.88Å; L215-F221 HydrophobicContact CD1-CB 3.76Å; L215-F221 HydrophobicContact CD1-CD2 4.11Å; L215-F221 HydrophobicContact CD1-CG 4.44Å; L218-F221 PolarHBondContact O-N 3.43Å; F221-P223 HydrophobicContact CD1-CG 3.95Å; F221-P223 HydrophobicContact CE1-CB 3.89Å; F221-P223 HydrophobicContact CE1-CG 3.72Å; F221-F226 AromaticContact CE2-CD2 3.61Å; F221-F226 HydrophobicContact CE2-CD2 3.61Å; F221-F226 AromaticContact CE2-CE2 3.68Å; F221-F226 HydrophobicContact CE2-CE2 3.68Å; F221-F226 AromaticContact CZ-CD2 3.93Å; F221-F226 HydrophobicContact CZ-CD2 3.93Å; F221-F226 HydrophobicContact CZ-CE2 4.43Å; F221-F231 VanDerWaalsContact O-CE2 3.3Å; F221-F231 WeakPolarHBondContact O-CE2 3.27Å | ||
| 222 | R | 97.4 | Very high | 96.9 | Very high | 162 Ų | 162 | 53.4 Ų | 53.4 | 61% | 0.611 | 29% | 0.29 | S | S | * | . | trans | -122 | 96.5 | 178.3 | -69.6 | -171.8 | -171.3 | -174.7 | 0.8 | 109.4 | E220 E224 T225 | E220-R222 PolarHBondContact O-N 2.69Å; R222-E224 PolarHBondContact O-N 3.49Å; R222-E224 VanDerWaalsContact O-N 3.14Å; R222-T225 WeakPolarHBondContact CB-OG1 3.16Å; R222-T225 VanDerWaalsContact O-CB 3.24Å; R222-T225 WeakPolarHBondContact O-CB 3.45Å; R222-T225 PolarHBondContact O-N 2.95Å; R222-T225 PolarHBondContact O-OG1 3.35Å | ||
| 223 | P | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | G | 310 helix | trans | -53.8 | -36 | -172.8 | -24.4 | 31.4 | 0 | 0 | 0 | 113.9 | F221 T225 F226 G227 L228 P229 F231 | F221-P223 HydrophobicContact CD1-CG 3.95Å; F221-P223 HydrophobicContact CE1-CB 3.89Å; F221-P223 HydrophobicContact CE1-CG 3.72Å; P223-T225 PolarHBondContact O-N 3.33Å; P223-T225 VanDerWaalsContact O-N 3.14Å; P223-F226 PolarHBondContact O-N 3.41Å; P223-G227 PolarHBondContact O-N 3.32Å; P223-L228 CarbonylContact C-O 3.47Å; P223-L228 HydrophobicContact CB-CB 3.69Å; P223-L228 WeakPolarHBondContact O-CB 3.22Å; P223-L228 PolarHBondContact O-N 3.02Å; P223-L228 VanDerWaalsContact O-N 3.11Å; P223-P229 VanDerWaalsContact CB-O 3.28Å; P223-P229 WeakPolarHBondContact CB-O 3.43Å; P223-F231 VanDerWaalsContact CD-CD2 3.48Å; P223-F231 VanDerWaalsContact CD-CE2 3.42Å; P223-F231 HydrophobicContact CG-CD2 3.84Å; P223-F231 HydrophobicContact CG-CE1 4.44Å; P223-F231 HydrophobicContact CG-CE2 3.6Å; P223-F231 HydrophobicContact CG-CG 4.36Å; P223-F231 HydrophobicContact CG-CZ 3.93Å |
| 224 | E | 97.1 | Very high | 95.6 | Very high | 94 Ų | 94 | 66.4 Ų | 66.4 | 44% | 0.439 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -61.9 | -22.1 | -179.9 | 66.9 | -81.6 | -169.7 | 0 | 0 | 113.6 | R222 F226 G227 L228 A230 | R222-E224 PolarHBondContact O-N 3.49Å; R222-E224 VanDerWaalsContact O-N 3.14Å; E224-F226 PolarHBondContact O-N 3.08Å; E224-G227 PolarHBondContact O-N 3.37Å; E224-G227 VanDerWaalsContact O-N 3.1Å; E224-L228 WeakPolarHBondContact CA-O 3.42Å; E224-L228 PolarHBondContact N-O 2.74Å; E224-A230 HydrophobicContact CB-CB 4.19Å; E224-A230 HydrophobicContact CG-CB 4.41Å |
| 225 | T | 96.5 | Very high | 95.6 | Very high | 63 Ų | 63 | 67.3 Ų | 67.3 | 39% | 0.387 | 35% | 0.352 | S | S | . | . | G | 310 helix | trans | -62.1 | -29.4 | 173.1 | -50.3 | 0 | 0 | 0 | 0 | 111.5 | V6 R222 P223 | V6-T225 HydrophobicContact CG1-CG2 4.42Å; V6-T225 WeakPolarHBondContact CG1-O 3.28Å; V6-T225 HydrophobicContact CG2-CG2 4.33Å; R222-T225 WeakPolarHBondContact CB-OG1 3.16Å; R222-T225 VanDerWaalsContact O-CB 3.24Å; R222-T225 WeakPolarHBondContact O-CB 3.45Å; R222-T225 PolarHBondContact O-N 2.95Å; R222-T225 PolarHBondContact O-OG1 3.35Å; P223-T225 PolarHBondContact O-N 3.33Å; P223-T225 VanDerWaalsContact O-N 3.14Å |
| 226 | F | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 37% | 0.368 | C | S | . | . | G | 310 helix | trans | -105.9 | 18 | 177.9 | -67.2 | -94.9 | 0 | 0 | 0 | 112.1 | V6 P8 V9 L176 Q194 V196 T212 Q213 F221 P223 E224 L228 | V6-F226 HydrophobicContact CB-CE1 4.46Å; V6-F226 HydrophobicContact CG1-CB 4.38Å; V6-F226 HydrophobicContact CG1-CD1 3.25Å; V6-F226 HydrophobicContact CG1-CD2 4.18Å; V6-F226 HydrophobicContact CG1-CE1 3.37Å; V6-F226 HydrophobicContact CG1-CE2 4.27Å; V6-F226 HydrophobicContact CG1-CG 3.69Å; V6-F226 HydrophobicContact CG1-CZ 3.89Å; V6-F226 HydrophobicContact CG2-CE1 4.37Å; V6-F226 HydrophobicContact CG2-CZ 4.3Å; P8-F226 CarbonylContact C-O 3.54Å; P8-F226 VanDerWaalsContact CA-O 3.3Å; P8-F226 WeakPolarHBondContact CA-O 3.39Å; V9-F226 HydrophobicContact CG1-CB 4.48Å; V9-F226 HydrophobicContact CG1-CD1 4.15Å; V9-F226 HydrophobicContact CG2-CB 3.79Å; V9-F226 PolarHBondContact N-O 2.96Å; L176-F226 HydrophobicContact CD1-CD1 3.67Å; L176-F226 HydrophobicContact CD1-CE1 3.4Å; L176-F226 HydrophobicContact CD1-CG 4.38Å; L176-F226 HydrophobicContact CD1-CZ 3.92Å; L176-F226 HydrophobicContact CD2-CB 4.3Å; L176-F226 HydrophobicContact CD2-CD1 3.96Å; L176-F226 HydrophobicContact CD2-CD2 4.05Å; L176-F226 HydrophobicContact CD2-CE1 4.29Å; L176-F226 HydrophobicContact CD2-CE2 4.37Å; L176-F226 HydrophobicContact CD2-CG 3.84Å; L176-F226 HydrophobicContact CD2-CZ 4.48Å; L176-F226 HydrophobicContact CG-CD1 4.41Å; L176-F226 HydrophobicContact CG-CE1 4.49Å; Q194-F226 HydrophobicContact CB-CE1 4.36Å; V196-F226 HydrophobicContact CG2-CE2 3.99Å; V196-F226 HydrophobicContact CG2-CZ 3.87Å; T212-F226 HydrophobicContact CG2-CE1 4.09Å; T212-F226 HydrophobicContact CG2-CZ 4.32Å; Q213-F226 HydrophobicContact CB-CZ 4.27Å; F221-F226 AromaticContact CE2-CD2 3.61Å; F221-F226 HydrophobicContact CE2-CD2 3.61Å; F221-F226 AromaticContact CE2-CE2 3.68Å; F221-F226 HydrophobicContact CE2-CE2 3.68Å; F221-F226 AromaticContact CZ-CD2 3.93Å; F221-F226 HydrophobicContact CZ-CD2 3.93Å; F221-F226 HydrophobicContact CZ-CE2 4.43Å; P223-F226 PolarHBondContact O-N 3.41Å; E224-F226 PolarHBondContact O-N 3.08Å; F226-L228 PolarHBondContact O-N 2.96Å |
| 227 | G | 97.4 | Very high | 95.5 | Very high | 55 Ų | 55 | 67.8 Ų | 67.8 | 57% | 0.567 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | 12.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P223 E224 | P223-G227 PolarHBondContact O-N 3.32Å; E224-G227 PolarHBondContact O-N 3.37Å; E224-G227 VanDerWaalsContact O-N 3.1Å |
| 228 | L | 98.2 | Very high | 95.3 | Very high | 12 Ų | 12 | 70.6 Ų | 70.6 | 6% | 0.063 | 37% | 0.366 | C | S | . | . | S | Bend | trans | -85.9 | 159.1 | 173 | -60.5 | 174.6 | 0 | 0 | 0 | 110.5 | V9 V12 L104 V109 P223 E224 F226 A230 | V9-L228 HydrophobicContact CG2-CD1 3.85Å; V9-L228 HydrophobicContact CG2-CD2 3.91Å; V9-L228 HydrophobicContact CG2-CG 3.79Å; V12-L228 HydrophobicContact CG2-CD1 4.16Å; L104-L228 HydrophobicContact CD2-CD1 3.99Å; V109-L228 HydrophobicContact CG1-CD2 3.92Å; V109-L228 HydrophobicContact CG2-CD2 4.07Å; P223-L228 CarbonylContact C-O 3.47Å; P223-L228 HydrophobicContact CB-CB 3.69Å; P223-L228 WeakPolarHBondContact O-CB 3.22Å; P223-L228 PolarHBondContact O-N 3.02Å; P223-L228 VanDerWaalsContact O-N 3.11Å; E224-L228 WeakPolarHBondContact CA-O 3.42Å; E224-L228 PolarHBondContact N-O 2.74Å; F226-L228 PolarHBondContact O-N 2.96Å; L228-A230 PolarHBondContact O-N 3.42Å |
| 229 | P | 98.1 | Very high | 95.1 | Very high | 54 Ų | 54 | 75.1 Ų | 75.1 | 35% | 0.351 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 133.5 | 177.9 | -27.8 | 38.9 | 0 | 0 | 0 | 112.3 | H103 H107 P223 | H103-P229 PolarHBondContact CE1-O 3.28Å; H103-P229 PolarHBondContact NE2-O 3.13Å; H107-P229 HydrophobicContact CB-CB 4.31Å; H107-P229 HydrophobicContact CB-CG 3.9Å; P223-P229 VanDerWaalsContact CB-O 3.28Å; P223-P229 WeakPolarHBondContact CB-O 3.43Å |
| 230 | A | 98 | Very high | 94.8 | Very high | 50 Ų | 50 | 73.9 Ų | 73.9 | 41% | 0.413 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 150.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.2 | H103 E224 L228 | H103-A230 PolarHBondContact CE1-O 2.87Å; E224-A230 HydrophobicContact CB-CB 4.19Å; E224-A230 HydrophobicContact CG-CB 4.41Å; L228-A230 PolarHBondContact O-N 3.42Å |
| 231 | F | 97.2 | Very high | 94.6 | Very high | 43 Ų | 43 | 72.7 Ų | 72.7 | 19% | 0.189 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 142.2 | 170.8 | -71.7 | -63.8 | 0 | 0 | 0 | 110.8 | R99 L100 H103 F221 P223 | R99-F231 HydrophobicContact CG-CD1 4.34Å; R99-F231 HydrophobicContact CG-CE1 3.95Å; L100-F231 HydrophobicContact CB-CZ 4.46Å; L100-F231 HydrophobicContact CD1-CZ 3.95Å; H103-F231 HydrophobicContact CB-CD1 3.85Å; H103-F231 HydrophobicContact CB-CE1 3.47Å; H103-F231 VanDerWaalsContact CB-CE1 3.47Å; H103-F231 AromaticContact CD2-CD1 3.79Å; H103-F231 AromaticContact CD2-CE1 3.66Å; H103-F231 AromaticContact CE1-CD1 3.93Å; H103-F231 AromaticContact CG-CD1 3.44Å; H103-F231 VanDerWaalsContact CG-CD1 3.44Å; H103-F231 AromaticContact CG-CE1 3.44Å; H103-F231 VanDerWaalsContact CG-CE1 3.44Å; H103-F231 AromaticContact ND1-CD1 3.58Å; F221-F231 VanDerWaalsContact O-CE2 3.3Å; F221-F231 WeakPolarHBondContact O-CE2 3.27Å; P223-F231 VanDerWaalsContact CD-CD2 3.48Å; P223-F231 VanDerWaalsContact CD-CE2 3.42Å; P223-F231 HydrophobicContact CG-CD2 3.84Å; P223-F231 HydrophobicContact CG-CE1 4.44Å; P223-F231 HydrophobicContact CG-CE2 3.6Å; P223-F231 HydrophobicContact CG-CG 4.36Å; P223-F231 HydrophobicContact CG-CZ 3.93Å |
| 232 | Q | 87.4 | Confident | 94.3 | Very high | 140 Ų | 140 | 78.5 Ų | 78.5 | 65% | 0.654 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -70 | 135.1 | 169.6 | -66.5 | -175.8 | -38.3 | 0 | 0 | 108.9 | ||
| 233 | Q | 68.5 | Low | 94 | Very high | 269 Ų | 269 | 70.9 Ų | 70.9 | 100% | 1.257 | 39% | 0.393 | S | S | * | . | trans | -68.2 | 0 | 174.9 | -66.5 | -176.7 | 13.7 | 0 | 0 | 111.4 |
Retrieved 233 of 233 residues in 679.1 ms
(Link to these results)