| 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 | 46.2 | Very low | 82.1 | Confident | 244 Ų | 244 | 107.5 Ų | 107.5 | 100% | 1.202 | 53% | 0.525 | S | S | * | . | 0 | 133.6 | 0 | -78.6 | 176.7 | -171.9 | 0 | 0 | 106.4 | |||||
| 2 | E | 68.2 | Low | 82.6 | Confident | 139 Ų | 139 | 109.2 Ų | 109.2 | 65% | 0.65 | 53% | 0.531 | S | S | * | . | trans | -67 | 134.1 | 171.8 | -72.8 | 175.7 | 160.8 | 0 | 0 | 109 | ||||
| 3 | W | 87.3 | Confident | 83.2 | Confident | 49 Ų | 49 | 101.5 Ų | 101.5 | 19% | 0.186 | 49% | 0.494 | C | S | . | . | trans | -61.2 | 141.6 | 174.3 | 179.3 | 94.3 | 0 | 0 | 0 | 109.6 | P5 D43 N46 Y47 F50 F88 | W3-P5 HydrophobicContact CH2-CB 3.69Å; W3-P5 HydrophobicContact CH2-CG 4.46Å; W3-P5 HydrophobicContact CZ2-CB 4.42Å; W3-P5 HydrophobicContact CZ3-CB 4.05Å; W3-P5 HydrophobicContact CZ3-CG 4.34Å; W3-D43 PolarHBondContact NE1-OD1 2.78Å; W3-N46 VanDerWaalsContact CD1-ND2 3.28Å; W3-N46 HydrophobicContact CD2-CB 3.71Å; W3-N46 HydrophobicContact CE3-CB 4.2Å; W3-N46 HydrophobicContact CG-CB 4.22Å; W3-N46 HydrophobicContact CH2-CB 3.96Å; W3-N46 HydrophobicContact CZ2-CB 3.45Å; W3-N46 VanDerWaalsContact CZ2-CB 3.45Å; W3-N46 HydrophobicContact CZ3-CB 4.32Å; W3-N46 PolarHBondContact NE1-ND2 3.01Å; W3-Y47 HydrophobicContact CH2-CD1 4.02Å; W3-Y47 HydrophobicContact CH2-CD2 4.31Å; W3-Y47 HydrophobicContact CH2-CE1 4.22Å; W3-Y47 HydrophobicContact CH2-CE2 4.49Å; W3-Y47 HydrophobicContact CH2-CG 4.06Å; W3-Y47 HydrophobicContact CZ2-CD1 4.24Å; W3-Y47 AromaticContact CZ2-CD2 3.81Å; W3-Y47 HydrophobicContact CZ2-CD2 3.81Å; W3-Y47 HydrophobicContact CZ2-CE1 4.21Å; W3-Y47 AromaticContact CZ2-CE2 3.77Å; W3-Y47 HydrophobicContact CZ2-CE2 3.77Å; W3-Y47 HydrophobicContact CZ2-CG 4.04Å; W3-Y47 AromaticContact CZ2-CZ 3.96Å; W3-F50 HydrophobicContact CH2-CB 4.08Å; W3-F50 HydrophobicContact CH2-CG 4.39Å; W3-F50 HydrophobicContact CZ3-CB 3.69Å; W3-F50 AromaticContact CZ3-CD2 3.84Å; W3-F50 HydrophobicContact CZ3-CD2 3.84Å; W3-F50 AromaticContact CZ3-CG 3.86Å; W3-F50 HydrophobicContact CZ3-CG 3.86Å; W3-F88 HydrophobicContact CD2-CE1 4.28Å; W3-F88 HydrophobicContact CD2-CZ 4.46Å; W3-F88 AromaticContact CE3-CE1 3.73Å; W3-F88 HydrophobicContact CE3-CE1 3.73Å; W3-F88 AromaticContact CE3-CZ 3.66Å; W3-F88 HydrophobicContact CE3-CZ 3.66Å; W3-F88 HydrophobicContact CZ3-CE1 4.2Å; W3-F88 HydrophobicContact CZ3-CZ 4.25Å | ||
| 4 | Q | 85.9 | Confident | 83.8 | Confident | 135 Ų | 135 | 95.9 Ų | 95.9 | 63% | 0.631 | 47% | 0.467 | S | S | * | . | trans | -136.1 | 138 | 177.2 | -70.6 | -66.9 | -34.4 | 0 | 0 | 108.3 | ||||
| 5 | P | 89.3 | Confident | 84.2 | Confident | 31 Ų | 31 | 96.5 Ų | 96.5 | 20% | 0.201 | 47% | 0.469 | C | S | . | . | trans | -69.4 | 143.7 | 178.8 | 29.8 | -34.8 | 0 | 0 | 0 | 110.7 | W3 L10 Y47 F50 | W3-P5 HydrophobicContact CH2-CB 3.69Å; W3-P5 HydrophobicContact CH2-CG 4.46Å; W3-P5 HydrophobicContact CZ2-CB 4.42Å; W3-P5 HydrophobicContact CZ3-CB 4.05Å; W3-P5 HydrophobicContact CZ3-CG 4.34Å; P5-L10 HydrophobicContact CB-CB 4.42Å; P5-Y47 HydrophobicContact CB-CD1 4.18Å; P5-Y47 HydrophobicContact CB-CE1 3.7Å; P5-F50 HydrophobicContact CB-CE1 4.49Å; P5-F50 HydrophobicContact CG-CD1 4.18Å; P5-F50 HydrophobicContact CG-CD2 4.37Å; P5-F50 HydrophobicContact CG-CE1 3.78Å; P5-F50 HydrophobicContact CG-CE2 3.98Å; P5-F50 HydrophobicContact CG-CG 4.47Å; P5-F50 HydrophobicContact CG-CZ 3.67Å | ||
| 6 | D | 90.6 | Very high | 84.7 | Confident | 90 Ų | 90 | 91.2 Ų | 91.2 | 48% | 0.481 | 44% | 0.443 | S | S | . | . | trans | -78.8 | 135.2 | 161.2 | 175.5 | 79.6 | 0 | 0 | 0 | 109.3 | Q8 G9 L10 Y47 | D6-Q8 VanDerWaalsContact C-N 3.28Å; D6-Q8 PolarHBondContact O-N 2.75Å; D6-Q8 WeakPolarHBondContact OD2-CA 3.46Å; D6-Q8 VanDerWaalsContact OD2-CB 3.24Å; D6-Q8 WeakPolarHBondContact OD2-CB 3.44Å; D6-Q8 PolarHBondContact OD2-N 3.06Å; D6-G9 PolarHBondContact O-N 3.04Å; D6-G9 PolarHBondContact OD2-N 3.45Å; D6-L10 WeakPolarHBondContact O-CB 3.43Å; D6-L10 PolarHBondContact O-N 3.22Å; D6-Y47 WeakPolarHBondContact CB-OH 3.33Å; D6-Y47 PolarHBondContact N-OH 2.86Å | ||
| 7 | E | 86.2 | Confident | 85.1 | Confident | 172 Ų | 172 | 86 Ų | 86 | 80% | 0.804 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -60.5 | -37.8 | -176.2 | -76 | -169.8 | 168.4 | 0 | 0 | 112.3 | Q11 | E7-Q11 WeakPolarHBondContact O-CB 3.26Å; E7-Q11 PolarHBondContact O-N 2.97Å |
| 8 | Q | 85.6 | Confident | 85.3 | Confident | 135 Ų | 135 | 86.3 Ų | 86.3 | 63% | 0.631 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -71.1 | -41.6 | -179.9 | -167.5 | 178.2 | 13 | 0 | 0 | 110.6 | D6 Q11 Q12 | D6-Q8 VanDerWaalsContact C-N 3.28Å; D6-Q8 PolarHBondContact O-N 2.75Å; D6-Q8 WeakPolarHBondContact OD2-CA 3.46Å; D6-Q8 VanDerWaalsContact OD2-CB 3.24Å; D6-Q8 WeakPolarHBondContact OD2-CB 3.44Å; D6-Q8 PolarHBondContact OD2-N 3.06Å; Q8-Q11 PolarHBondContact O-N 3.03Å; Q8-Q12 WeakPolarHBondContact O-CG 3.2Å; Q8-Q12 PolarHBondContact O-N 3.18Å |
| 9 | G | 85.6 | Confident | 85.5 | Confident | 17 Ų | 17 | 84.1 Ų | 84.1 | 18% | 0.175 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -60.1 | -47.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | D6 Q11 Q12 V13 | D6-G9 PolarHBondContact O-N 3.04Å; D6-G9 PolarHBondContact OD2-N 3.45Å; G9-Q11 VanDerWaalsContact C-N 3.33Å; G9-Q11 PolarHBondContact O-N 3.11Å; G9-Q12 PolarHBondContact O-N 3.44Å; G9-Q12 VanDerWaalsContact O-N 3.17Å; G9-V13 WeakPolarHBondContact O-CG2 3.4Å; G9-V13 PolarHBondContact O-N 3.49Å; G9-V13 VanDerWaalsContact O-N 3.08Å |
| 10 | L | 89.4 | Confident | 85.6 | Confident | 25 Ų | 25 | 81.4 Ų | 81.4 | 13% | 0.131 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -61 | -42.4 | 179.3 | -176.8 | 61.9 | 0 | 0 | 0 | 111.6 | P5 D6 Q12 V13 L14 Y47 F50 V51 L55 | P5-L10 HydrophobicContact CB-CB 4.42Å; D6-L10 WeakPolarHBondContact O-CB 3.43Å; D6-L10 PolarHBondContact O-N 3.22Å; L10-Q12 VanDerWaalsContact C-N 3.3Å; L10-Q12 PolarHBondContact O-N 3.41Å; L10-V13 PolarHBondContact O-N 3.12Å; L10-L14 HydrophobicContact CD1-CG 4.47Å; L10-L14 HydrophobicContact CG-CD1 4.19Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 3.35Å; L10-L14 PolarHBondContact O-N 2.85Å; L10-Y47 HydrophobicContact CB-CD1 4.26Å; L10-Y47 HydrophobicContact CB-CE1 4.1Å; L10-Y47 HydrophobicContact CD1-CD1 4.17Å; L10-F50 HydrophobicContact CD1-CD1 4.14Å; L10-F50 HydrophobicContact CD1-CE1 4.4Å; L10-F50 HydrophobicContact CD2-CE1 4.07Å; L10-V51 HydrophobicContact CD1-CG2 3.77Å; L10-L55 HydrophobicContact CD1-CD2 4.43Å; L10-L55 HydrophobicContact CD2-CD1 4.41Å |
| 11 | Q | 89 | Confident | 85.7 | Confident | 146 Ų | 146 | 81.6 Ų | 81.6 | 68% | 0.682 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -63.1 | -35.9 | 178 | -167.2 | 173.7 | 14.2 | 0 | 0 | 112.5 | E7 Q8 G9 Q15 | E7-Q11 WeakPolarHBondContact O-CB 3.26Å; E7-Q11 PolarHBondContact O-N 2.97Å; Q8-Q11 PolarHBondContact O-N 3.03Å; G9-Q11 VanDerWaalsContact C-N 3.33Å; G9-Q11 PolarHBondContact O-N 3.11Å; Q11-Q15 WeakPolarHBondContact O-CB 3.49Å; Q11-Q15 PolarHBondContact O-N 3.04Å |
| 12 | Q | 88.1 | Confident | 87.8 | Confident | 127 Ų | 127 | 71.3 Ų | 71.3 | 59% | 0.593 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -67.8 | -42.8 | 175.4 | -71.2 | 179.2 | 8.7 | 0 | 0 | 112.2 | Q8 G9 L10 Q15 L16 | Q8-Q12 WeakPolarHBondContact O-CG 3.2Å; Q8-Q12 PolarHBondContact O-N 3.18Å; G9-Q12 PolarHBondContact O-N 3.44Å; G9-Q12 VanDerWaalsContact O-N 3.17Å; L10-Q12 VanDerWaalsContact C-N 3.3Å; L10-Q12 PolarHBondContact O-N 3.41Å; Q12-Q15 PolarHBondContact O-N 3.11Å; Q12-L16 PolarHBondContact O-N 2.72Å |
| 13 | V | 90.1 | Very high | 88.6 | Confident | 10 Ų | 10 | 70.7 Ų | 70.7 | 6% | 0.061 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.9 | -42.4 | 176.8 | 176.7 | 0 | 0 | 0 | 0 | 110.8 | G9 L10 Q15 L16 L17 F44 Y47 L48 | G9-V13 WeakPolarHBondContact O-CG2 3.4Å; G9-V13 PolarHBondContact O-N 3.49Å; G9-V13 VanDerWaalsContact O-N 3.08Å; L10-V13 PolarHBondContact O-N 3.12Å; V13-Q15 PolarHBondContact O-N 2.72Å; V13-L16 WeakPolarHBondContact O-CB 3.44Å; V13-L16 PolarHBondContact O-N 2.78Å; V13-L17 HydrophobicContact CG1-CD1 4.13Å; V13-L17 HydrophobicContact CG1-CG 4.46Å; V13-L17 WeakPolarHBondContact O-CG 3.45Å; V13-L17 PolarHBondContact O-N 3.45Å; V13-F44 HydrophobicContact CG1-CE2 4.2Å; V13-F44 HydrophobicContact CG2-CD2 4.12Å; V13-F44 HydrophobicContact CG2-CE2 3.95Å; V13-Y47 HydrophobicContact CG2-CD1 4.35Å; V13-Y47 HydrophobicContact CG2-CG 4.09Å; V13-L48 HydrophobicContact CG1-CD2 4.37Å |
| 14 | L | 91.3 | Very high | 88.8 | Confident | 22 Ų | 22 | 72 Ų | 72 | 12% | 0.115 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -63.8 | -39.9 | 176.5 | -70.6 | 174.5 | 0 | 0 | 0 | 112.8 | L10 L16 L17 K18 V51 L55 E58 | L10-L14 HydrophobicContact CD1-CG 4.47Å; L10-L14 HydrophobicContact CG-CD1 4.19Å; L10-L14 VanDerWaalsContact O-CG 3.32Å; L10-L14 WeakPolarHBondContact O-CG 3.35Å; L10-L14 PolarHBondContact O-N 2.85Å; L14-L16 VanDerWaalsContact C-N 3.33Å; L14-L17 PolarHBondContact O-N 3.24Å; L14-K18 WeakPolarHBondContact O-CG 3.44Å; L14-K18 PolarHBondContact O-N 2.93Å; L14-V51 HydrophobicContact CD2-CG1 4.23Å; L14-V51 HydrophobicContact CD2-CG2 4.14Å; L14-L55 HydrophobicContact CD1-CD2 3.88Å; L14-L55 HydrophobicContact CD2-CD2 3.75Å; L14-L55 HydrophobicContact CG-CD2 4.31Å; L14-E58 HydrophobicContact CD2-CG 3.81Å |
| 15 | Q | 90.4 | Very high | 88.9 | Confident | 106 Ų | 106 | 70.1 Ų | 70.1 | 50% | 0.495 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -63 | -43.5 | 174.7 | -173 | 61.5 | 51.2 | 0 | 0 | 110.9 | Q11 Q12 V13 L17 K18 D19 | Q11-Q15 WeakPolarHBondContact O-CB 3.49Å; Q11-Q15 PolarHBondContact O-N 3.04Å; Q12-Q15 PolarHBondContact O-N 3.11Å; V13-Q15 PolarHBondContact O-N 2.72Å; Q15-L17 PolarHBondContact O-N 3.41Å; Q15-K18 PolarHBondContact O-N 2.99Å; Q15-D19 PolarHBondContact NE2-OD1 2.86Å; Q15-D19 WeakPolarHBondContact O-CB 3.31Å; Q15-D19 PolarHBondContact O-N 3.32Å |
| 16 | L | 91.5 | Very high | 88.9 | Confident | 11 Ų | 11 | 72 Ų | 72 | 6% | 0.058 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61 | -43.5 | 177.3 | -175.7 | 70.1 | 0 | 0 | 0 | 112.1 | Q12 V13 L14 K18 D19 S20 V31 K34 L35 L38 F44 | Q12-L16 PolarHBondContact O-N 2.72Å; V13-L16 WeakPolarHBondContact O-CB 3.44Å; V13-L16 PolarHBondContact O-N 2.78Å; L14-L16 VanDerWaalsContact C-N 3.33Å; L16-K18 VanDerWaalsContact C-N 3.34Å; L16-K18 PolarHBondContact O-N 3.26Å; L16-D19 PolarHBondContact O-N 3.08Å; L16-S20 WeakPolarHBondContact O-CB 3.27Å; L16-S20 PolarHBondContact O-N 3.38Å; L16-V31 HydrophobicContact CD1-CB 4.3Å; L16-V31 HydrophobicContact CD1-CG1 3.96Å; L16-V31 HydrophobicContact CD1-CG2 4.19Å; L16-V31 HydrophobicContact CG-CG1 4.48Å; L16-K34 HydrophobicContact CD1-CB 3.86Å; L16-K34 HydrophobicContact CD1-CD 4.05Å; L16-L35 HydrophobicContact CD2-CD2 3.54Å; L16-L35 HydrophobicContact CD2-CG 4.06Å; L16-L35 HydrophobicContact CG-CD2 4.3Å; L16-L38 HydrophobicContact CD2-CD1 3.56Å; L16-F44 HydrophobicContact CD2-CZ 4.32Å |
| 17 | L | 90.9 | Very high | 88.7 | Confident | 3 Ų | 3 | 69.8 Ų | 69.8 | 2% | 0.016 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64 | -38.9 | 176.5 | -69.6 | 170.4 | 0 | 0 | 0 | 111.7 | V13 L14 Q15 S20 V51 T62 L65 I69 | V13-L17 HydrophobicContact CG1-CD1 4.13Å; V13-L17 HydrophobicContact CG1-CG 4.46Å; V13-L17 WeakPolarHBondContact O-CG 3.45Å; V13-L17 PolarHBondContact O-N 3.45Å; L14-L17 PolarHBondContact O-N 3.24Å; Q15-L17 PolarHBondContact O-N 3.41Å; L17-S20 WeakPolarHBondContact CA-OG 3.45Å; L17-S20 PolarHBondContact O-N 3.25Å; L17-S20 PolarHBondContact O-OG 3.47Å; L17-V51 HydrophobicContact CD1-CG1 3.87Å; L17-T62 HydrophobicContact CB-CG2 4Å; L17-T62 HydrophobicContact CD1-CG2 4.19Å; L17-L65 HydrophobicContact CD2-CG 4.33Å; L17-I69 HydrophobicContact CD2-CD1 3.63Å |
| 18 | K | 89.7 | Confident | 88.6 | Confident | 92 Ų | 92 | 65.9 Ų | 65.9 | 40% | 0.4 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 175.1 | -74.4 | 173.2 | -178.4 | 168 | 0 | 111.7 | L14 Q15 L16 S20 Q21 E58 | L14-K18 WeakPolarHBondContact O-CG 3.44Å; L14-K18 PolarHBondContact O-N 2.93Å; Q15-K18 PolarHBondContact O-N 2.99Å; L16-K18 VanDerWaalsContact C-N 3.34Å; L16-K18 PolarHBondContact O-N 3.26Å; K18-S20 PolarHBondContact O-N 3.07Å; K18-Q21 PolarHBondContact O-N 2.92Å; K18-Q21 VanDerWaalsContact O-N 3.16Å; K18-E58 VanDerWaalsContact CE-OE2 3.23Å; K18-E58 WeakPolarHBondContact CE-OE2 3.49Å; K18-E58 IonicContact NZ-OE1 3.68Å; K18-E58 PolarHBondContact NZ-OE1 3.04Å; K18-E58 IonicContact NZ-OE2 3.5Å; K18-E58 PolarHBondContact NZ-OE2 3.08Å |
| 19 | D | 89.8 | Confident | 88.5 | Confident | 44 Ų | 44 | 67.7 Ų | 67.7 | 24% | 0.235 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62.9 | -34.1 | 176.2 | -66.6 | -11.6 | 0 | 0 | 0 | 111.3 | Q15 L16 Q21 S22 T27 V31 | Q15-D19 PolarHBondContact NE2-OD1 2.86Å; Q15-D19 WeakPolarHBondContact O-CB 3.31Å; Q15-D19 PolarHBondContact O-N 3.32Å; L16-D19 PolarHBondContact O-N 3.08Å; D19-Q21 PolarHBondContact O-N 2.92Å; D19-S22 WeakPolarHBondContact O-CB 3.32Å; D19-S22 PolarHBondContact O-N 3.48Å; D19-T27 HydrophobicContact CB-CG2 3.96Å; D19-V31 HydrophobicContact CB-CG2 3.5Å; D19-V31 VanDerWaalsContact CB-CG2 3.5Å |
| 20 | S | 87.6 | Confident | 88.6 | Confident | 29 Ų | 29 | 69 Ų | 69 | 20% | 0.203 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67 | -19 | 177.9 | 75.5 | 0 | 0 | 0 | 0 | 114.1 | L16 L17 K18 L65 | L16-S20 WeakPolarHBondContact O-CB 3.27Å; L16-S20 PolarHBondContact O-N 3.38Å; L17-S20 WeakPolarHBondContact CA-OG 3.45Å; L17-S20 PolarHBondContact O-N 3.25Å; L17-S20 PolarHBondContact O-OG 3.47Å; K18-S20 PolarHBondContact O-N 3.07Å; S20-L65 WeakPolarHBondContact OG-CD2 3.44Å |
| 21 | Q | 87.7 | Confident | 88.6 | Confident | 86 Ų | 86 | 68.1 Ų | 68.1 | 40% | 0.402 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -0.6 | 174.4 | -61.8 | 173.1 | 26.8 | 0 | 0 | 112.4 | K18 D19 T62 L65 | K18-Q21 PolarHBondContact O-N 2.92Å; K18-Q21 VanDerWaalsContact O-N 3.16Å; D19-Q21 PolarHBondContact O-N 2.92Å; Q21-T62 PolarHBondContact NE2-OG1 3.09Å; Q21-L65 HydrophobicContact CG-CD2 3.65Å |
| 22 | S | 89.1 | Confident | 88.3 | Confident | 29 Ų | 29 | 66.1 Ų | 66.1 | 20% | 0.203 | 35% | 0.352 | C | S | . | . | trans | -65.4 | 137.7 | 178.6 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | D19 D24 Q28 | D19-S22 WeakPolarHBondContact O-CB 3.32Å; D19-S22 PolarHBondContact O-N 3.48Å; S22-D24 PolarHBondContact O-N 3.39Å; S22-D24 PolarHBondContact OG-N 3.06Å; S22-Q28 WeakPolarHBondContact O-CG 3.33Å; S22-Q28 PolarHBondContact O-NE2 3.1Å | ||
| 23 | P | 85.8 | Confident | 88.2 | Confident | 125 Ų | 125 | 65.2 Ų | 65.2 | 81% | 0.812 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -74.1 | -6.5 | 171.8 | 31.8 | -35.5 | 0 | 0 | 0 | 113 | ||
| 24 | D | 91.3 | Very high | 88.1 | Confident | 78 Ų | 78 | 69.9 Ų | 69.9 | 42% | 0.417 | 37% | 0.368 | S | S | . | . | trans | -80.3 | 120 | -179.3 | 175 | 59.8 | 0 | 0 | 0 | 112.3 | S22 A26 T27 Q28 | S22-D24 PolarHBondContact O-N 3.39Å; S22-D24 PolarHBondContact OG-N 3.06Å; D24-A26 VanDerWaalsContact C-N 3.31Å; D24-A26 PolarHBondContact O-N 2.98Å; D24-A26 PolarHBondContact OD2-N 3.28Å; D24-T27 WeakPolarHBondContact O-CB 3.42Å; D24-T27 PolarHBondContact O-N 3.07Å; D24-T27 WeakPolarHBondContact OD2-CB 3.19Å; D24-T27 PolarHBondContact OD2-N 2.89Å; D24-T27 PolarHBondContact OD2-OG1 3.17Å; D24-Q28 PolarHBondContact O-N 3.08Å | ||
| 25 | T | 87.3 | Confident | 87.9 | Confident | 95 Ų | 95 | 69.7 Ų | 69.7 | 58% | 0.583 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62.1 | -34.8 | -177.1 | -47.2 | 0 | 0 | 0 | 0 | 113.1 | Q28 R29 | T25-Q28 PolarHBondContact O-N 2.91Å; T25-R29 PolarHBondContact O-N 2.82Å |
| 26 | A | 88.9 | Confident | 87.5 | Confident | 69 Ų | 69 | 69.9 Ų | 69.9 | 57% | 0.57 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -68.3 | -40.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D24 R29 A30 | D24-A26 VanDerWaalsContact C-N 3.31Å; D24-A26 PolarHBondContact O-N 2.98Å; D24-A26 PolarHBondContact OD2-N 3.28Å; A26-R29 PolarHBondContact O-N 3.35Å; A26-A30 PolarHBondContact O-N 3.18Å |
| 27 | T | 86.9 | Confident | 87.2 | Confident | 44 Ų | 44 | 75 Ų | 75 | 27% | 0.27 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -62.1 | -47 | 173.4 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | D19 D24 R29 A30 V31 | D19-T27 HydrophobicContact CB-CG2 3.96Å; D24-T27 WeakPolarHBondContact O-CB 3.42Å; D24-T27 PolarHBondContact O-N 3.07Å; D24-T27 WeakPolarHBondContact OD2-CB 3.19Å; D24-T27 PolarHBondContact OD2-N 2.89Å; D24-T27 PolarHBondContact OD2-OG1 3.17Å; T27-R29 VanDerWaalsContact C-N 3.34Å; T27-R29 PolarHBondContact O-N 3.37Å; T27-A30 PolarHBondContact O-N 3.34Å; T27-V31 HydrophobicContact CG2-CG2 4.4Å; T27-V31 WeakPolarHBondContact O-CB 3.38Å; T27-V31 VanDerWaalsContact O-CG2 3.25Å; T27-V31 WeakPolarHBondContact O-CG2 3.38Å; T27-V31 PolarHBondContact O-N 2.83Å |
| 28 | Q | 83.8 | Confident | 86.9 | Confident | 91 Ų | 91 | 77.7 Ų | 77.7 | 43% | 0.425 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.6 | -41.8 | 177.4 | -71.2 | -179.9 | -1 | 0 | 0 | 112.6 | S22 D24 T25 V31 Q32 | S22-Q28 WeakPolarHBondContact O-CG 3.33Å; S22-Q28 PolarHBondContact O-NE2 3.1Å; D24-Q28 PolarHBondContact O-N 3.08Å; T25-Q28 PolarHBondContact O-N 2.91Å; Q28-V31 WeakPolarHBondContact O-CB 3.43Å; Q28-V31 PolarHBondContact O-N 3.1Å; Q28-Q32 PolarHBondContact O-N 3.11Å |
| 29 | R | 84.4 | Confident | 86.4 | Confident | 172 Ų | 172 | 75.1 Ų | 75.1 | 65% | 0.649 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -63.7 | -44.3 | 175.9 | -170.3 | -179.8 | -67.4 | 173.5 | -1.9 | 111.9 | T25 A26 T27 V31 Q32 E33 | T25-R29 PolarHBondContact O-N 2.82Å; A26-R29 PolarHBondContact O-N 3.35Å; T27-R29 VanDerWaalsContact C-N 3.34Å; T27-R29 PolarHBondContact O-N 3.37Å; R29-V31 VanDerWaalsContact C-N 3.3Å; R29-V31 PolarHBondContact O-N 2.99Å; R29-Q32 PolarHBondContact O-N 3.27Å; R29-E33 PolarHBondContact O-N 3.42Å; R29-E33 VanDerWaalsContact O-N 3.11Å |
| 30 | A | 87.5 | Confident | 85.7 | Confident | 45 Ų | 45 | 80.2 Ų | 80.2 | 37% | 0.372 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -65.4 | -33.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | A26 T27 K34 | A26-A30 PolarHBondContact O-N 3.18Å; T27-A30 PolarHBondContact O-N 3.34Å; A30-K34 WeakPolarHBondContact O-CG 3.5Å; A30-K34 PolarHBondContact O-N 3.4Å; A30-K34 VanDerWaalsContact O-N 3.17Å |
| 31 | V | 88.4 | Confident | 85.5 | Confident | 7 Ų | 7 | 84.9 Ų | 84.9 | 4% | 0.042 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65.5 | -45.4 | 172.8 | 165.9 | 0 | 0 | 0 | 0 | 110.7 | L16 D19 T27 Q28 R29 E33 K34 L35 | L16-V31 HydrophobicContact CD1-CB 4.3Å; L16-V31 HydrophobicContact CD1-CG1 3.96Å; L16-V31 HydrophobicContact CD1-CG2 4.19Å; L16-V31 HydrophobicContact CG-CG1 4.48Å; D19-V31 HydrophobicContact CB-CG2 3.5Å; D19-V31 VanDerWaalsContact CB-CG2 3.5Å; T27-V31 HydrophobicContact CG2-CG2 4.4Å; T27-V31 WeakPolarHBondContact O-CB 3.38Å; T27-V31 VanDerWaalsContact O-CG2 3.25Å; T27-V31 WeakPolarHBondContact O-CG2 3.38Å; T27-V31 PolarHBondContact O-N 2.83Å; Q28-V31 WeakPolarHBondContact O-CB 3.43Å; Q28-V31 PolarHBondContact O-N 3.1Å; R29-V31 VanDerWaalsContact C-N 3.3Å; R29-V31 PolarHBondContact O-N 2.99Å; V31-E33 PolarHBondContact O-N 3.16Å; V31-K34 PolarHBondContact O-N 3.02Å; V31-L35 HydrophobicContact CG1-CD1 3.8Å; V31-L35 HydrophobicContact CG1-CG 4.24Å; V31-L35 WeakPolarHBondContact O-CG 3.35Å; V31-L35 PolarHBondContact O-N 3.16Å |
| 32 | Q | 84.1 | Confident | 85.1 | Confident | 103 Ų | 103 | 83.2 Ų | 83.2 | 48% | 0.481 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59.2 | -47.9 | 179.1 | -175.4 | 63.2 | 22.1 | 0 | 0 | 111.5 | Q28 R29 K34 L35 E36 | Q28-Q32 PolarHBondContact O-N 3.11Å; R29-Q32 PolarHBondContact O-N 3.27Å; Q32-K34 VanDerWaalsContact C-N 3.29Å; Q32-K34 PolarHBondContact O-N 3.4Å; Q32-L35 PolarHBondContact O-N 3Å; Q32-E36 PolarHBondContact NE2-OE1 3.07Å; Q32-E36 PolarHBondContact O-N 3.37Å |
| 33 | E | 86.6 | Confident | 85 | Confident | 109 Ų | 109 | 85.3 Ų | 85.3 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -59.4 | -39.3 | 176 | -70.8 | 174.9 | -171.7 | 0 | 0 | 112.1 | R29 V31 Q37 | R29-E33 PolarHBondContact O-N 3.42Å; R29-E33 VanDerWaalsContact O-N 3.11Å; V31-E33 PolarHBondContact O-N 3.16Å; E33-Q37 WeakPolarHBondContact O-CG 3.45Å; E33-Q37 PolarHBondContact O-N 3.11Å |
| 34 | K | 87.9 | Confident | 85.3 | Confident | 108 Ų | 108 | 79.8 Ų | 79.8 | 47% | 0.47 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -69.3 | -39.9 | 176 | -78.9 | 179.8 | -178.3 | 176.3 | 0 | 112.6 | L16 A30 V31 Q32 E36 Q37 L38 | L16-K34 HydrophobicContact CD1-CB 3.86Å; L16-K34 HydrophobicContact CD1-CD 4.05Å; A30-K34 WeakPolarHBondContact O-CG 3.5Å; A30-K34 PolarHBondContact O-N 3.4Å; A30-K34 VanDerWaalsContact O-N 3.17Å; V31-K34 PolarHBondContact O-N 3.02Å; Q32-K34 VanDerWaalsContact C-N 3.29Å; Q32-K34 PolarHBondContact O-N 3.4Å; K34-E36 VanDerWaalsContact C-N 3.34Å; K34-Q37 PolarHBondContact O-N 2.75Å; K34-L38 WeakPolarHBondContact O-CG 3.35Å; K34-L38 PolarHBondContact O-N 3.49Å |
| 35 | L | 85.4 | Confident | 85.4 | Confident | 18 Ų | 18 | 76.1 Ų | 76.1 | 9% | 0.094 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.8 | -43.9 | 176.6 | -76.7 | 170.4 | 0 | 0 | 0 | 110.7 | L16 V31 Q32 Q37 L38 N39 F44 I69 | L16-L35 HydrophobicContact CD2-CD2 3.54Å; L16-L35 HydrophobicContact CD2-CG 4.06Å; L16-L35 HydrophobicContact CG-CD2 4.3Å; V31-L35 HydrophobicContact CG1-CD1 3.8Å; V31-L35 HydrophobicContact CG1-CG 4.24Å; V31-L35 WeakPolarHBondContact O-CG 3.35Å; V31-L35 PolarHBondContact O-N 3.16Å; Q32-L35 PolarHBondContact O-N 3Å; L35-Q37 VanDerWaalsContact C-N 3.3Å; L35-Q37 PolarHBondContact O-N 2.81Å; L35-L38 PolarHBondContact O-N 3Å; L35-N39 WeakPolarHBondContact O-CB 3.47Å; L35-N39 PolarHBondContact O-N 3.34Å; L35-N39 PolarHBondContact O-ND2 2.79Å; L35-N39 PolarHBondContact O-OD1 3.05Å; L35-F44 HydrophobicContact CD2-CE1 4.19Å; L35-F44 HydrophobicContact CD2-CZ 3.84Å; L35-I69 HydrophobicContact CD1-CD1 4.32Å; L35-I69 HydrophobicContact CD2-CD1 4.19Å; L35-I69 HydrophobicContact CD2-CG2 4.05Å |
| 36 | E | 82.9 | Confident | 85.7 | Confident | 110 Ų | 110 | 71.8 Ų | 71.8 | 51% | 0.514 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.8 | -38.7 | 176 | -75.8 | 172.4 | -165.9 | 0 | 0 | 112.9 | Q32 K34 | Q32-E36 PolarHBondContact NE2-OE1 3.07Å; Q32-E36 PolarHBondContact O-N 3.37Å; K34-E36 VanDerWaalsContact C-N 3.34Å |
| 37 | Q | 84.9 | Confident | 86 | Confident | 119 Ų | 119 | 69.6 Ų | 69.6 | 56% | 0.556 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -68.1 | -45.6 | 174.7 | -69.5 | 172.1 | 21 | 0 | 0 | 112 | E33 K34 L35 N39 Q40 F41 | E33-Q37 WeakPolarHBondContact O-CG 3.45Å; E33-Q37 PolarHBondContact O-N 3.11Å; K34-Q37 PolarHBondContact O-N 2.75Å; L35-Q37 VanDerWaalsContact C-N 3.3Å; L35-Q37 PolarHBondContact O-N 2.81Å; Q37-N39 VanDerWaalsContact C-N 3.32Å; Q37-N39 PolarHBondContact O-N 3.42Å; Q37-Q40 WeakPolarHBondContact O-CB 3.17Å; Q37-Q40 PolarHBondContact O-N 3.27Å; Q37-F41 WeakPolarHBondContact O-CD2 3.29Å |
| 38 | L | 84.8 | Confident | 86.4 | Confident | 58 Ų | 58 | 67.6 Ų | 67.6 | 30% | 0.304 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -69.8 | -29.5 | -177.8 | -70.8 | 174.2 | 0 | 0 | 0 | 112.8 | L16 K34 L35 Q40 F41 F44 | L16-L38 HydrophobicContact CD2-CD1 3.56Å; K34-L38 WeakPolarHBondContact O-CG 3.35Å; K34-L38 PolarHBondContact O-N 3.49Å; L35-L38 PolarHBondContact O-N 3Å; L38-Q40 PolarHBondContact O-N 3.3Å; L38-Q40 VanDerWaalsContact O-N 3.14Å; L38-F41 PolarHBondContact O-N 3.19Å; L38-F44 HydrophobicContact CB-CD1 3.86Å; L38-F44 HydrophobicContact CB-CD2 4.05Å; L38-F44 HydrophobicContact CB-CE1 3.98Å; L38-F44 HydrophobicContact CB-CE2 4.18Å; L38-F44 HydrophobicContact CB-CG 3.9Å; L38-F44 HydrophobicContact CB-CZ 4.15Å; L38-F44 HydrophobicContact CD1-CD2 4.24Å; L38-F44 HydrophobicContact CD1-CE2 3.88Å; L38-F44 HydrophobicContact CD1-CZ 4.21Å; L38-F44 WeakPolarHBondContact O-CB 3.48Å |
| 39 | N | 79.6 | Confident | 87 | Confident | 38 Ų | 38 | 63.2 Ų | 63.2 | 20% | 0.203 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -18.7 | 176.1 | -76.3 | -7.9 | 0 | 0 | 0 | 113.7 | L35 Q37 F41 F44 N73 | L35-N39 WeakPolarHBondContact O-CB 3.47Å; L35-N39 PolarHBondContact O-N 3.34Å; L35-N39 PolarHBondContact O-ND2 2.79Å; L35-N39 PolarHBondContact O-OD1 3.05Å; Q37-N39 VanDerWaalsContact C-N 3.32Å; Q37-N39 PolarHBondContact O-N 3.42Å; N39-F41 PolarHBondContact O-N 3.45Å; N39-F44 WeakPolarHBondContact OD1-CE1 3.04Å; N39-N73 VanDerWaalsContact CG-OD1 3.23Å; N39-N73 PolarHBondContact ND2-OD1 3.34Å; N39-N73 VanDerWaalsContact OD1-CG 3.28Å; N39-N73 PolarHBondContact OD1-ND2 3.12Å; N39-N73 PolarHBondContact OD1-OD1 3.32Å; N39-N73 VanDerWaalsContact OD1-OD1 3.11Å |
| 40 | Q | 75.7 | Confident | 87.6 | Confident | 152 Ų | 152 | 56.7 Ų | 56.7 | 71% | 0.71 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -16.6 | 173.4 | -58.5 | 178.3 | 16 | 0 | 0 | 112.8 | Q37 L38 P42 | Q37-Q40 WeakPolarHBondContact O-CB 3.17Å; Q37-Q40 PolarHBondContact O-N 3.27Å; L38-Q40 PolarHBondContact O-N 3.3Å; L38-Q40 VanDerWaalsContact O-N 3.14Å; Q40-P42 WeakPolarHBondContact O-CD 3.26Å |
| 41 | F | 83.1 | Confident | 88 | Confident | 127 Ų | 127 | 54.5 Ų | 54.5 | 56% | 0.557 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -102.5 | 112.3 | -178.6 | -62.4 | -84.3 | 0 | 0 | 0 | 110.2 | Q37 L38 N39 D43 F44 | Q37-F41 WeakPolarHBondContact O-CD2 3.29Å; L38-F41 PolarHBondContact O-N 3.19Å; N39-F41 PolarHBondContact O-N 3.45Å; F41-D43 PolarHBondContact O-N 3.09Å; F41-D43 VanDerWaalsContact O-N 3.08Å; F41-F44 VanDerWaalsContact O-CB 3.23Å; F41-F44 WeakPolarHBondContact O-CB 3.34Å; F41-F44 PolarHBondContact O-N 3.35Å |
| 42 | P | 78.6 | Confident | 88.4 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 33% | 0.325 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.6 | -29.1 | -177.3 | -27.5 | 35.1 | 0 | 0 | 0 | 114.7 | Q40 F44 N45 P82 V85 | Q40-P42 WeakPolarHBondContact O-CD 3.26Å; P42-F44 PolarHBondContact O-N 3.06Å; P42-N45 WeakPolarHBondContact O-CB 3.49Å; P42-N45 PolarHBondContact O-N 3.26Å; P42-N45 PolarHBondContact O-ND2 3.47Å; P42-P82 VanDerWaalsContact CB-CD 3.4Å; P42-P82 HydrophobicContact CB-CG 3.61Å; P42-P82 HydrophobicContact CG-CG 3.82Å; P42-V85 HydrophobicContact CB-CG2 4.21Å |
| 43 | D | 87.3 | Confident | 88.9 | Confident | 73 Ų | 73 | 49.3 Ų | 49.3 | 39% | 0.39 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.3 | -24.7 | 179 | -161.5 | 51.6 | 0 | 0 | 0 | 113.1 | W3 F41 N45 N46 Y47 | W3-D43 PolarHBondContact NE1-OD1 2.78Å; F41-D43 PolarHBondContact O-N 3.09Å; F41-D43 VanDerWaalsContact O-N 3.08Å; D43-N45 PolarHBondContact O-N 3.26Å; D43-N46 WeakPolarHBondContact O-CB 3.37Å; D43-N46 PolarHBondContact O-N 3.2Å; D43-N46 PolarHBondContact OD1-ND2 3.03Å; D43-Y47 WeakPolarHBondContact O-CD2 3.39Å; D43-Y47 PolarHBondContact O-N 3.43Å |
| 44 | F | 91.8 | Very high | 89.2 | Confident | 10 Ų | 10 | 46.7 Ų | 46.7 | 4% | 0.044 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -57.3 | -37.6 | 174 | 178.1 | -124.6 | 0 | 0 | 0 | 111.6 | V13 L16 L35 L38 N39 F41 P42 N46 Y47 L48 | V13-F44 HydrophobicContact CG1-CE2 4.2Å; V13-F44 HydrophobicContact CG2-CD2 4.12Å; V13-F44 HydrophobicContact CG2-CE2 3.95Å; L16-F44 HydrophobicContact CD2-CZ 4.32Å; L35-F44 HydrophobicContact CD2-CE1 4.19Å; L35-F44 HydrophobicContact CD2-CZ 3.84Å; L38-F44 HydrophobicContact CB-CD1 3.86Å; L38-F44 HydrophobicContact CB-CD2 4.05Å; L38-F44 HydrophobicContact CB-CE1 3.98Å; L38-F44 HydrophobicContact CB-CE2 4.18Å; L38-F44 HydrophobicContact CB-CG 3.9Å; L38-F44 HydrophobicContact CB-CZ 4.15Å; L38-F44 HydrophobicContact CD1-CD2 4.24Å; L38-F44 HydrophobicContact CD1-CE2 3.88Å; L38-F44 HydrophobicContact CD1-CZ 4.21Å; L38-F44 WeakPolarHBondContact O-CB 3.48Å; N39-F44 WeakPolarHBondContact OD1-CE1 3.04Å; F41-F44 VanDerWaalsContact O-CB 3.23Å; F41-F44 WeakPolarHBondContact O-CB 3.34Å; F41-F44 PolarHBondContact O-N 3.35Å; P42-F44 PolarHBondContact O-N 3.06Å; F44-N46 VanDerWaalsContact C-N 3.26Å; F44-N46 PolarHBondContact O-N 3.41Å; F44-Y47 WeakPolarHBondContact O-CB 3.35Å; F44-Y47 PolarHBondContact O-N 3.2Å; F44-Y47 VanDerWaalsContact O-N 3.12Å; F44-L48 HydrophobicContact CD1-CD1 4.04Å; F44-L48 HydrophobicContact CD1-CG 4.49Å; F44-L48 HydrophobicContact CE1-CD1 3.68Å; F44-L48 HydrophobicContact CE1-CD2 4.35Å; F44-L48 HydrophobicContact CE1-CG 4.16Å; F44-L48 HydrophobicContact CE2-CD2 4.12Å; F44-L48 HydrophobicContact CE2-CG 4.26Å; F44-L48 HydrophobicContact CZ-CD1 4.01Å; F44-L48 HydrophobicContact CZ-CD2 3.81Å; F44-L48 HydrophobicContact CZ-CG 4.03Å; F44-L48 PolarHBondContact O-N 3.25Å; F44-L48 VanDerWaalsContact O-N 3.07Å |
| 45 | N | 93.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -66.1 | -28.6 | 178.4 | -59.3 | -62.7 | 0 | 0 | 0 | 112.6 | P42 D43 L48 I49 L70 N73 F81 V85 I89 | P42-N45 WeakPolarHBondContact O-CB 3.49Å; P42-N45 PolarHBondContact O-N 3.26Å; P42-N45 PolarHBondContact O-ND2 3.47Å; D43-N45 PolarHBondContact O-N 3.26Å; N45-L48 PolarHBondContact O-N 3.01Å; N45-I49 WeakPolarHBondContact O-CG2 3.49Å; N45-I49 PolarHBondContact O-N 3.13Å; N45-I49 VanDerWaalsContact O-N 3.13Å; N45-L70 HydrophobicContact CB-CD1 3.65Å; N45-N73 WeakPolarHBondContact OD1-CB 3.12Å; N45-N73 PolarHBondContact OD1-ND2 3.24Å; N45-F81 HydrophobicContact CB-CE2 4.12Å; N45-F81 HydrophobicContact CB-CZ 4.24Å; N45-F81 VanDerWaalsContact CG-CZ 3.49Å; N45-F81 WeakPolarHBondContact ND2-CZ 3.38Å; N45-V85 HydrophobicContact CB-CG1 4.1Å; N45-I89 HydrophobicContact CB-CD1 4.14Å |
| 46 | N | 94.4 | Very high | 89.7 | Confident | 3 Ų | 3 | 46.7 Ų | 46.7 | 2% | 0.016 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.7 | -38.9 | 173 | -66.1 | -27.8 | 0 | 0 | 0 | 111.5 | W3 D43 F44 I49 F50 V85 F88 | W3-N46 VanDerWaalsContact CD1-ND2 3.28Å; W3-N46 HydrophobicContact CD2-CB 3.71Å; W3-N46 HydrophobicContact CE3-CB 4.2Å; W3-N46 HydrophobicContact CG-CB 4.22Å; W3-N46 HydrophobicContact CH2-CB 3.96Å; W3-N46 HydrophobicContact CZ2-CB 3.45Å; W3-N46 VanDerWaalsContact CZ2-CB 3.45Å; W3-N46 HydrophobicContact CZ3-CB 4.32Å; W3-N46 PolarHBondContact NE1-ND2 3.01Å; D43-N46 WeakPolarHBondContact O-CB 3.37Å; D43-N46 PolarHBondContact O-N 3.2Å; D43-N46 PolarHBondContact OD1-ND2 3.03Å; F44-N46 VanDerWaalsContact C-N 3.26Å; F44-N46 PolarHBondContact O-N 3.41Å; N46-I49 VanDerWaalsContact O-CG2 3.24Å; N46-I49 WeakPolarHBondContact O-CG2 3Å; N46-F50 VanDerWaalsContact O-CB 3.22Å; N46-F50 WeakPolarHBondContact O-CB 3.47Å; N46-F50 PolarHBondContact O-N 2.93Å; N46-V85 WeakPolarHBondContact OD1-CG1 3.38Å; N46-F88 HydrophobicContact CB-CD1 4.07Å; N46-F88 HydrophobicContact CB-CE1 4.07Å; N46-F88 WeakPolarHBondContact OD1-CD1 3.21Å |
| 47 | Y | 94.9 | Very high | 90.1 | Very high | 24 Ų | 24 | 46.2 Ų | 46.2 | 9% | 0.094 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.5 | -42.6 | 173 | -74.6 | -85.9 | 0 | 0 | 0 | 111.6 | W3 P5 D6 L10 V13 D43 F44 I49 F50 V51 | W3-Y47 HydrophobicContact CH2-CD1 4.02Å; W3-Y47 HydrophobicContact CH2-CD2 4.31Å; W3-Y47 HydrophobicContact CH2-CE1 4.22Å; W3-Y47 HydrophobicContact CH2-CE2 4.49Å; W3-Y47 HydrophobicContact CH2-CG 4.06Å; W3-Y47 HydrophobicContact CZ2-CD1 4.24Å; W3-Y47 AromaticContact CZ2-CD2 3.81Å; W3-Y47 HydrophobicContact CZ2-CD2 3.81Å; W3-Y47 HydrophobicContact CZ2-CE1 4.21Å; W3-Y47 AromaticContact CZ2-CE2 3.77Å; W3-Y47 HydrophobicContact CZ2-CE2 3.77Å; W3-Y47 HydrophobicContact CZ2-CG 4.04Å; W3-Y47 AromaticContact CZ2-CZ 3.96Å; P5-Y47 HydrophobicContact CB-CD1 4.18Å; P5-Y47 HydrophobicContact CB-CE1 3.7Å; D6-Y47 WeakPolarHBondContact CB-OH 3.33Å; D6-Y47 PolarHBondContact N-OH 2.86Å; L10-Y47 HydrophobicContact CB-CD1 4.26Å; L10-Y47 HydrophobicContact CB-CE1 4.1Å; L10-Y47 HydrophobicContact CD1-CD1 4.17Å; V13-Y47 HydrophobicContact CG2-CD1 4.35Å; V13-Y47 HydrophobicContact CG2-CG 4.09Å; D43-Y47 WeakPolarHBondContact O-CD2 3.39Å; D43-Y47 PolarHBondContact O-N 3.43Å; F44-Y47 WeakPolarHBondContact O-CB 3.35Å; F44-Y47 PolarHBondContact O-N 3.2Å; F44-Y47 VanDerWaalsContact O-N 3.12Å; Y47-I49 PolarHBondContact O-N 3.18Å; Y47-F50 PolarHBondContact O-N 2.79Å; Y47-V51 WeakPolarHBondContact O-CG2 3.28Å; Y47-V51 PolarHBondContact O-N 3.14Å |
| 48 | L | 95.5 | Very high | 90.4 | Very high | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.3 | -45.6 | -178.6 | -67.4 | 175.6 | 0 | 0 | 0 | 112.3 | V13 F44 N45 L52 S66 I69 L70 | V13-L48 HydrophobicContact CG1-CD2 4.37Å; F44-L48 HydrophobicContact CD1-CD1 4.04Å; F44-L48 HydrophobicContact CD1-CG 4.49Å; F44-L48 HydrophobicContact CE1-CD1 3.68Å; F44-L48 HydrophobicContact CE1-CD2 4.35Å; F44-L48 HydrophobicContact CE1-CG 4.16Å; F44-L48 HydrophobicContact CE2-CD2 4.12Å; F44-L48 HydrophobicContact CE2-CG 4.26Å; F44-L48 HydrophobicContact CZ-CD1 4.01Å; F44-L48 HydrophobicContact CZ-CD2 3.81Å; F44-L48 HydrophobicContact CZ-CG 4.03Å; F44-L48 PolarHBondContact O-N 3.25Å; F44-L48 VanDerWaalsContact O-N 3.07Å; N45-L48 PolarHBondContact O-N 3.01Å; L48-L52 PolarHBondContact O-N 2.96Å; L48-S66 WeakPolarHBondContact CA-OG 3.29Å; L48-S66 WeakPolarHBondContact CD2-OG 3.42Å; L48-S66 PolarHBondContact O-OG 2.93Å; L48-I69 HydrophobicContact CD1-CB 4.36Å; L48-I69 HydrophobicContact CD1-CG2 3.77Å; L48-I69 HydrophobicContact CD2-CG2 4.31Å; L48-L70 HydrophobicContact CB-CB 3.98Å; L48-L70 HydrophobicContact CD1-CB 4.02Å; L48-L70 HydrophobicContact CD1-CD1 4.44Å |
| 49 | I | 96.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.9 | -37.9 | 176.5 | -171.5 | 62.8 | 0 | 0 | 0 | 111.4 | N45 N46 Y47 V51 L52 T53 L70 F88 I89 E92 L111 | N45-I49 WeakPolarHBondContact O-CG2 3.49Å; N45-I49 PolarHBondContact O-N 3.13Å; N45-I49 VanDerWaalsContact O-N 3.13Å; N46-I49 VanDerWaalsContact O-CG2 3.24Å; N46-I49 WeakPolarHBondContact O-CG2 3Å; Y47-I49 PolarHBondContact O-N 3.18Å; I49-V51 PolarHBondContact O-N 3.11Å; I49-L52 HydrophobicContact CD1-CD2 4Å; I49-L52 WeakPolarHBondContact O-CB 3.49Å; I49-L52 PolarHBondContact O-N 2.95Å; I49-T53 HydrophobicContact CD1-CG2 3.72Å; I49-T53 HydrophobicContact CG1-CG2 4.14Å; I49-T53 PolarHBondContact O-N 3.41Å; I49-T53 PolarHBondContact O-OG1 3.44Å; I49-T53 VanDerWaalsContact O-OG1 3.07Å; I49-L70 HydrophobicContact CB-CD2 3.75Å; I49-L70 HydrophobicContact CD1-CD2 4.15Å; I49-L70 HydrophobicContact CG1-CD2 4.45Å; I49-F88 HydrophobicContact CG2-CD1 3.75Å; I49-F88 HydrophobicContact CG2-CE1 3.51Å; I49-I89 HydrophobicContact CB-CG1 4.2Å; I49-I89 HydrophobicContact CD1-CG2 4.38Å; I49-I89 HydrophobicContact CG1-CG2 4.36Å; I49-I89 HydrophobicContact CG2-CG1 3.92Å; I49-E92 HydrophobicContact CD1-CB 4.21Å; I49-E92 HydrophobicContact CG1-CB 3.54Å; I49-E92 HydrophobicContact CG1-CG 4.19Å; I49-L111 HydrophobicContact CD1-CD1 4.31Å |
| 50 | F | 95.9 | Very high | 91.5 | Very high | 34 Ų | 34 | 46.2 Ų | 46.2 | 15% | 0.149 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.6 | -42.1 | 177.5 | -179.9 | -90 | 0 | 0 | 0 | 112.4 | W3 P5 L10 N46 Y47 L52 S54 L55 | W3-F50 HydrophobicContact CH2-CB 4.08Å; W3-F50 HydrophobicContact CH2-CG 4.39Å; W3-F50 HydrophobicContact CZ3-CB 3.69Å; W3-F50 AromaticContact CZ3-CD2 3.84Å; W3-F50 HydrophobicContact CZ3-CD2 3.84Å; W3-F50 AromaticContact CZ3-CG 3.86Å; W3-F50 HydrophobicContact CZ3-CG 3.86Å; P5-F50 HydrophobicContact CB-CE1 4.49Å; P5-F50 HydrophobicContact CG-CD1 4.18Å; P5-F50 HydrophobicContact CG-CD2 4.37Å; P5-F50 HydrophobicContact CG-CE1 3.78Å; P5-F50 HydrophobicContact CG-CE2 3.98Å; P5-F50 HydrophobicContact CG-CG 4.47Å; P5-F50 HydrophobicContact CG-CZ 3.67Å; L10-F50 HydrophobicContact CD1-CD1 4.14Å; L10-F50 HydrophobicContact CD1-CE1 4.4Å; L10-F50 HydrophobicContact CD2-CE1 4.07Å; N46-F50 VanDerWaalsContact O-CB 3.22Å; N46-F50 WeakPolarHBondContact O-CB 3.47Å; N46-F50 PolarHBondContact O-N 2.93Å; Y47-F50 PolarHBondContact O-N 2.79Å; F50-L52 VanDerWaalsContact C-N 3.34Å; F50-S54 VanDerWaalsContact CE2-CB 3.45Å; F50-S54 WeakPolarHBondContact O-CA 3.31Å; F50-S54 WeakPolarHBondContact O-CB 3.42Å; F50-S54 PolarHBondContact O-N 3.41Å; F50-L55 HydrophobicContact CE1-CB 4.39Å; F50-L55 HydrophobicContact CE1-CD1 4.36Å; F50-L55 PolarHBondContact O-N 3.32Å; F50-L55 VanDerWaalsContact O-N 3.15Å |
| 51 | V | 95.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.2 | -43.2 | 174.9 | 171.2 | 0 | 0 | 0 | 0 | 110.4 | L10 L14 L17 Y47 I49 L55 R63 | L10-V51 HydrophobicContact CD1-CG2 3.77Å; L14-V51 HydrophobicContact CD2-CG1 4.23Å; L14-V51 HydrophobicContact CD2-CG2 4.14Å; L17-V51 HydrophobicContact CD1-CG1 3.87Å; Y47-V51 WeakPolarHBondContact O-CG2 3.28Å; Y47-V51 PolarHBondContact O-N 3.14Å; I49-V51 PolarHBondContact O-N 3.11Å; V51-L55 HydrophobicContact CG2-CD2 4.33Å; V51-R63 WeakPolarHBondContact O-CG 3.4Å |
| 52 | L | 96.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.5 | -51 | 177.7 | 176.9 | 66.7 | 0 | 0 | 0 | 112.1 | L48 I49 F50 R63 I104 T107 I108 L111 | L48-L52 PolarHBondContact O-N 2.96Å; I49-L52 HydrophobicContact CD1-CD2 4Å; I49-L52 WeakPolarHBondContact O-CB 3.49Å; I49-L52 PolarHBondContact O-N 2.95Å; F50-L52 VanDerWaalsContact C-N 3.34Å; L52-R63 WeakPolarHBondContact CD1-O 3.32Å; L52-R63 PolarHBondContact O-NE 2.98Å; L52-R63 VanDerWaalsContact O-NE 3.11Å; L52-R63 PolarHBondContact O-NH2 3.26Å; L52-I104 HydrophobicContact CD1-CD1 4.02Å; L52-I104 HydrophobicContact CD1-CG2 4.07Å; L52-T107 HydrophobicContact CD1-CG2 3.92Å; L52-T107 HydrophobicContact CD2-CG2 4.16Å; L52-I108 HydrophobicContact CD2-CG1 3.87Å; L52-I108 HydrophobicContact CG-CG1 4.32Å; L52-L111 HydrophobicContact CD2-CD1 3.46Å; L52-L111 VanDerWaalsContact CD2-CD1 3.46Å |
| 53 | T | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -94.5 | -42.7 | -167 | 65.4 | 0 | 0 | 0 | 0 | 113.9 | I49 K56 E92 N96 I108 | I49-T53 HydrophobicContact CD1-CG2 3.72Å; I49-T53 HydrophobicContact CG1-CG2 4.14Å; I49-T53 PolarHBondContact O-N 3.41Å; I49-T53 PolarHBondContact O-OG1 3.44Å; I49-T53 VanDerWaalsContact O-OG1 3.07Å; T53-K56 WeakPolarHBondContact O-CE 3.31Å; T53-K56 PolarHBondContact O-NZ 2.82Å; T53-E92 HydrophobicContact CG2-CB 4.16Å; T53-E92 PolarHBondContact OG1-OE2 3.01Å; T53-N96 WeakPolarHBondContact CB-ND2 3.15Å; T53-N96 HydrophobicContact CG2-CB 4Å; T53-N96 PolarHBondContact O-OD1 3.25Å; T53-I108 HydrophobicContact CG2-CD1 4.47Å |
| 54 | S | 93.1 | Very high | 94 | Very high | 54 Ų | 54 | 31.6 Ų | 31.6 | 38% | 0.378 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.6 | -30.4 | -166.6 | -65.9 | 0 | 0 | 0 | 0 | 113.6 | F50 K56 | F50-S54 VanDerWaalsContact CE2-CB 3.45Å; F50-S54 WeakPolarHBondContact O-CA 3.31Å; F50-S54 WeakPolarHBondContact O-CB 3.42Å; F50-S54 PolarHBondContact O-N 3.41Å; S54-K56 VanDerWaalsContact C-N 3.32Å; S54-K56 PolarHBondContact O-N 2.87Å |
| 55 | L | 92.7 | Very high | 94.1 | Very high | 26 Ų | 26 | 33.3 Ų | 33.3 | 14% | 0.136 | 18% | 0.181 | C | C | . | . | trans | -85.6 | 67.6 | -174.4 | -161.7 | 68.5 | 0 | 0 | 0 | 112.8 | L10 L14 F50 V51 S57 E58 | L10-L55 HydrophobicContact CD1-CD2 4.43Å; L10-L55 HydrophobicContact CD2-CD1 4.41Å; L14-L55 HydrophobicContact CD1-CD2 3.88Å; L14-L55 HydrophobicContact CD2-CD2 3.75Å; L14-L55 HydrophobicContact CG-CD2 4.31Å; F50-L55 HydrophobicContact CE1-CB 4.39Å; F50-L55 HydrophobicContact CE1-CD1 4.36Å; F50-L55 PolarHBondContact O-N 3.32Å; F50-L55 VanDerWaalsContact O-N 3.15Å; V51-L55 HydrophobicContact CG2-CD2 4.33Å; L55-S57 PolarHBondContact O-N 3.35Å; L55-E58 HydrophobicContact CD2-CB 4.45Å; L55-E58 HydrophobicContact CD2-CG 3.51Å; L55-E58 HydrophobicContact CG-CG 4.04Å; L55-E58 PolarHBondContact O-N 3.32Å | ||
| 56 | K | 90.5 | Very high | 94.2 | Very high | 101 Ų | 101 | 33.3 Ų | 33.3 | 44% | 0.439 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -6.3 | -178.4 | -51.6 | -57.3 | -168.5 | -169.8 | 0 | 114.7 | T53 S54 D99 | T53-K56 WeakPolarHBondContact O-CE 3.31Å; T53-K56 PolarHBondContact O-NZ 2.82Å; S54-K56 VanDerWaalsContact C-N 3.32Å; S54-K56 PolarHBondContact O-N 2.87Å; K56-D99 IonicContact NZ-OD2 3.62Å; K56-D99 PolarHBondContact NZ-OD2 3.2Å |
| 57 | S | 90.6 | Very high | 94.2 | Very high | 99 Ų | 99 | 33.1 Ų | 33.1 | 69% | 0.692 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | -22.3 | 175.9 | 55.1 | 0 | 0 | 0 | 0 | 113.9 | L55 | L55-S57 PolarHBondContact O-N 3.35Š|
| 58 | E | 92.7 | Very high | 94.2 | Very high | 40 Ų | 40 | 35 Ų | 35 | 19% | 0.187 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -86.5 | 157.8 | 175.3 | -66.1 | -68.4 | 144.6 | 0 | 0 | 111 | L14 K18 L55 R63 | L14-E58 HydrophobicContact CD2-CG 3.81Å; K18-E58 VanDerWaalsContact CE-OE2 3.23Å; K18-E58 WeakPolarHBondContact CE-OE2 3.49Å; K18-E58 IonicContact NZ-OE1 3.68Å; K18-E58 PolarHBondContact NZ-OE1 3.04Å; K18-E58 IonicContact NZ-OE2 3.5Å; K18-E58 PolarHBondContact NZ-OE2 3.08Å; L55-E58 HydrophobicContact CD2-CB 4.45Å; L55-E58 HydrophobicContact CD2-CG 3.51Å; L55-E58 HydrophobicContact CG-CG 4.04Å; L55-E58 PolarHBondContact O-N 3.32Å; E58-R63 HydrophobicContact CB-CG 4.25Å; E58-R63 WeakPolarHBondContact O-CD 3.48Å |
| 59 | D | 92.7 | Very high | 94 | Very high | 83 Ų | 83 | 35.8 Ų | 35.8 | 44% | 0.444 | 20% | 0.195 | S | C | . | . | trans | -69.4 | 159.3 | -179.6 | 62.9 | 40.8 | 0 | 0 | 0 | 113.4 | P61 T62 R63 | D59-P61 WeakPolarHBondContact OD1-CD 3.43Å; D59-T62 PolarHBondContact O-N 3.38Å; D59-T62 WeakPolarHBondContact OD1-CB 3.37Å; D59-T62 PolarHBondContact OD1-N 2.91Å; D59-T62 PolarHBondContact OD1-OG1 3.13Å; D59-R63 VanDerWaalsContact O-CG 3.27Å; D59-R63 WeakPolarHBondContact O-CG 3.44Å; D59-R63 PolarHBondContact O-N 3.25Å; D59-R63 VanDerWaalsContact O-N 3.08Å | ||
| 60 | E | 93.4 | Very high | 94 | Very high | 93 Ų | 93 | 35.8 Ų | 35.8 | 44% | 0.435 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -60.9 | -42 | -177.4 | -53.5 | -176.6 | -179.2 | 0 | 0 | 113.5 | T62 R63 S64 S101 L103 | E60-T62 PolarHBondContact O-N 3.15Å; E60-R63 PolarHBondContact O-N 3.07Å; E60-S64 VanDerWaalsContact O-CB 3.26Å; E60-S64 WeakPolarHBondContact O-CB 3.41Å; E60-S64 PolarHBondContact O-N 2.81Å; E60-S101 PolarHBondContact OE2-OG 2.95Å; E60-L103 HydrophobicContact CB-CD2 4.21Å |
| 61 | P | 93.4 | Very high | 93.9 | Very high | 75 Ų | 75 | 36.7 Ų | 36.7 | 49% | 0.487 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.1 | -43.7 | 176.1 | -25.8 | 36.2 | 0 | 0 | 0 | 113.3 | D59 S64 L65 | D59-P61 WeakPolarHBondContact OD1-CD 3.43Å; P61-S64 PolarHBondContact O-N 3.35Å; P61-L65 VanDerWaalsContact O-CB 3.24Å; P61-L65 WeakPolarHBondContact O-CB 3.29Å; P61-L65 PolarHBondContact O-N 3.3Å |
| 62 | T | 93.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.1 | -44.7 | 179.1 | -59 | 0 | 0 | 0 | 0 | 111.4 | L17 Q21 D59 E60 L65 S66 | L17-T62 HydrophobicContact CB-CG2 4Å; L17-T62 HydrophobicContact CD1-CG2 4.19Å; Q21-T62 PolarHBondContact NE2-OG1 3.09Å; D59-T62 PolarHBondContact O-N 3.38Å; D59-T62 WeakPolarHBondContact OD1-CB 3.37Å; D59-T62 PolarHBondContact OD1-N 2.91Å; D59-T62 PolarHBondContact OD1-OG1 3.13Å; E60-T62 PolarHBondContact O-N 3.15Å; T62-L65 PolarHBondContact O-N 2.98Å; T62-S66 PolarHBondContact O-N 2.93Å |
| 63 | R | 96.2 | Very high | 93.4 | Very high | 14 Ų | 14 | 41 Ų | 41 | 5% | 0.053 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 175.9 | -68.4 | 173.3 | 58.8 | -151.3 | -6.6 | 111.2 | V51 L52 E58 D59 E60 S66 G67 D99 I104 | V51-R63 WeakPolarHBondContact O-CG 3.4Å; L52-R63 WeakPolarHBondContact CD1-O 3.32Å; L52-R63 PolarHBondContact O-NE 2.98Å; L52-R63 VanDerWaalsContact O-NE 3.11Å; L52-R63 PolarHBondContact O-NH2 3.26Å; E58-R63 HydrophobicContact CB-CG 4.25Å; E58-R63 WeakPolarHBondContact O-CD 3.48Å; D59-R63 VanDerWaalsContact O-CG 3.27Å; D59-R63 WeakPolarHBondContact O-CG 3.44Å; D59-R63 PolarHBondContact O-N 3.25Å; D59-R63 VanDerWaalsContact O-N 3.08Å; E60-R63 PolarHBondContact O-N 3.07Å; R63-S66 WeakPolarHBondContact O-CB 3.46Å; R63-S66 PolarHBondContact O-N 3.14Å; R63-G67 PolarHBondContact O-N 3.44Å; R63-D99 IonicContact CZ-OD2 3.41Å; R63-D99 IonicContact NH2-OD2 3.38Å; R63-D99 PolarHBondContact NH2-OD2 3Å; R63-I104 HydrophobicContact CB-CD1 3.61Å |
| 64 | S | 94.8 | Very high | 93.2 | Very high | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.042 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.4 | -44.2 | 178.6 | -172.7 | 0 | 0 | 0 | 0 | 112.4 | E60 P61 S66 G67 L68 T107 | E60-S64 VanDerWaalsContact O-CB 3.26Å; E60-S64 WeakPolarHBondContact O-CB 3.41Å; E60-S64 PolarHBondContact O-N 2.81Å; P61-S64 PolarHBondContact O-N 3.35Å; S64-S66 VanDerWaalsContact C-N 3.29Å; S64-S66 PolarHBondContact O-N 2.94Å; S64-G67 WeakPolarHBondContact O-CA 3.46Å; S64-G67 PolarHBondContact O-N 3.03Å; S64-L68 WeakPolarHBondContact O-CG 3.46Å; S64-L68 PolarHBondContact O-N 3.2Å; S64-T107 PolarHBondContact OG-OG1 2.91Å |
| 65 | L | 93.4 | Very high | 93.1 | Very high | 46 Ų | 46 | 44.7 Ų | 44.7 | 24% | 0.241 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -41.1 | 177.3 | -179.3 | 57.3 | 0 | 0 | 0 | 111.9 | L17 S20 Q21 P61 T62 G67 L68 I69 | L17-L65 HydrophobicContact CD2-CG 4.33Å; S20-L65 WeakPolarHBondContact OG-CD2 3.44Å; Q21-L65 HydrophobicContact CG-CD2 3.65Å; P61-L65 VanDerWaalsContact O-CB 3.24Å; P61-L65 WeakPolarHBondContact O-CB 3.29Å; P61-L65 PolarHBondContact O-N 3.3Å; T62-L65 PolarHBondContact O-N 2.98Å; L65-G67 VanDerWaalsContact C-N 3.3Å; L65-G67 PolarHBondContact O-N 3.38Å; L65-L68 PolarHBondContact O-N 3.49Å; L65-L68 VanDerWaalsContact O-N 3.17Å; L65-I69 HydrophobicContact CD1-CD1 4.42Å; L65-I69 HydrophobicContact CD1-CG1 4.44Å; L65-I69 HydrophobicContact CG-CD1 4.25Å; L65-I69 WeakPolarHBondContact O-CG1 3.46Å; L65-I69 PolarHBondContact O-N 3Å |
| 66 | S | 95.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.4 | -45.5 | 172.3 | -168.7 | 0 | 0 | 0 | 0 | 112.1 | L48 T62 R63 S64 I69 L70 | L48-S66 WeakPolarHBondContact CA-OG 3.29Å; L48-S66 WeakPolarHBondContact CD2-OG 3.42Å; L48-S66 PolarHBondContact O-OG 2.93Å; T62-S66 PolarHBondContact O-N 2.93Å; R63-S66 WeakPolarHBondContact O-CB 3.46Å; R63-S66 PolarHBondContact O-N 3.14Å; S64-S66 VanDerWaalsContact C-N 3.29Å; S64-S66 PolarHBondContact O-N 2.94Å; S66-I69 PolarHBondContact O-N 3.36Å; S66-L70 PolarHBondContact O-N 2.83Å |
| 67 | G | 95.9 | Very high | 92.6 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.1 | -37.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R63 S64 L65 L70 K71 | R63-G67 PolarHBondContact O-N 3.44Å; S64-G67 WeakPolarHBondContact O-CA 3.46Å; S64-G67 PolarHBondContact O-N 3.03Å; L65-G67 VanDerWaalsContact C-N 3.3Å; L65-G67 PolarHBondContact O-N 3.38Å; G67-L70 WeakPolarHBondContact O-CB 3.28Å; G67-L70 PolarHBondContact O-N 2.99Å; G67-K71 PolarHBondContact O-N 3.25Å |
| 68 | L | 93.3 | Very high | 92.6 | Very high | 62 Ų | 62 | 42.3 Ų | 42.3 | 33% | 0.325 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -70.5 | -36 | 177.8 | -67.6 | 175.2 | 0 | 0 | 0 | 112.8 | S64 L65 K71 N72 T107 | S64-L68 WeakPolarHBondContact O-CG 3.46Å; S64-L68 PolarHBondContact O-N 3.2Å; L65-L68 PolarHBondContact O-N 3.49Å; L65-L68 VanDerWaalsContact O-N 3.17Å; L68-K71 WeakPolarHBondContact O-CB 3.02Å; L68-K71 PolarHBondContact O-N 2.96Å; L68-N72 PolarHBondContact O-N 3.13Å; L68-N72 VanDerWaalsContact O-N 3.11Å; L68-T107 HydrophobicContact CG-CG2 4.49Å |
| 69 | I | 92.6 | Very high | 92.2 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 9% | 0.092 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 170.9 | -67.1 | 168.7 | 0 | 0 | 0 | 109.4 | L17 L35 L48 L65 S66 K71 N72 N73 | L17-I69 HydrophobicContact CD2-CD1 3.63Å; L35-I69 HydrophobicContact CD1-CD1 4.32Å; L35-I69 HydrophobicContact CD2-CD1 4.19Å; L35-I69 HydrophobicContact CD2-CG2 4.05Å; L48-I69 HydrophobicContact CD1-CB 4.36Å; L48-I69 HydrophobicContact CD1-CG2 3.77Å; L48-I69 HydrophobicContact CD2-CG2 4.31Å; L65-I69 HydrophobicContact CD1-CD1 4.42Å; L65-I69 HydrophobicContact CD1-CG1 4.44Å; L65-I69 HydrophobicContact CG-CD1 4.25Å; L65-I69 WeakPolarHBondContact O-CG1 3.46Å; L65-I69 PolarHBondContact O-N 3Å; S66-I69 PolarHBondContact O-N 3.36Å; I69-K71 VanDerWaalsContact C-N 3.27Å; I69-K71 PolarHBondContact O-N 3.27Å; I69-N72 WeakPolarHBondContact O-CB 3.42Å; I69-N72 PolarHBondContact O-N 3.48Å; I69-N72 VanDerWaalsContact O-N 3.09Å; I69-N73 PolarHBondContact O-N 2.85Å; I69-N73 PolarHBondContact O-OD1 3.4Å |
| 70 | L | 95 | Very high | 92 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.6 | -40.6 | 175.7 | 178.9 | 60.3 | 0 | 0 | 0 | 111.8 | N45 L48 I49 S66 G67 N72 N73 V74 F81 I89 L111 | N45-L70 HydrophobicContact CB-CD1 3.65Å; L48-L70 HydrophobicContact CB-CB 3.98Å; L48-L70 HydrophobicContact CD1-CB 4.02Å; L48-L70 HydrophobicContact CD1-CD1 4.44Å; I49-L70 HydrophobicContact CB-CD2 3.75Å; I49-L70 HydrophobicContact CD1-CD2 4.15Å; I49-L70 HydrophobicContact CG1-CD2 4.45Å; S66-L70 PolarHBondContact O-N 2.83Å; G67-L70 WeakPolarHBondContact O-CB 3.28Å; G67-L70 PolarHBondContact O-N 2.99Å; L70-N72 VanDerWaalsContact C-N 3.31Å; L70-N72 PolarHBondContact O-N 3.3Å; L70-N73 WeakPolarHBondContact O-CB 3.34Å; L70-N73 PolarHBondContact O-N 2.9Å; L70-N73 VanDerWaalsContact O-N 3.14Å; L70-V74 HydrophobicContact CD1-CG2 4.42Å; L70-V74 WeakPolarHBondContact O-CG2 3.43Å; L70-V74 PolarHBondContact O-N 3.44Å; L70-F81 HydrophobicContact CD1-CE2 4.48Å; L70-I89 HydrophobicContact CD1-CD1 4.07Å; L70-I89 HydrophobicContact CD2-CD1 4.5Å; L70-I89 HydrophobicContact CD2-CG1 4.44Å; L70-I89 HydrophobicContact CD2-CG2 4.05Å; L70-L111 HydrophobicContact CB-CD2 4.11Å; L70-L111 HydrophobicContact CD2-CD1 4.09Å; L70-L111 HydrophobicContact CD2-CD2 4.04Å; L70-L111 HydrophobicContact CG-CD2 3.8Å |
| 71 | K | 94.4 | Very high | 91.8 | Very high | 54 Ų | 54 | 47.7 Ų | 47.7 | 24% | 0.235 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -57.9 | -44.1 | 175.5 | -174.8 | -137.5 | 75.6 | -176.1 | 0 | 111.5 | G67 L68 I69 N73 V74 K75 I110 L111 T114 | G67-K71 PolarHBondContact O-N 3.25Å; L68-K71 WeakPolarHBondContact O-CB 3.02Å; L68-K71 PolarHBondContact O-N 2.96Å; I69-K71 VanDerWaalsContact C-N 3.27Å; I69-K71 PolarHBondContact O-N 3.27Å; K71-N73 VanDerWaalsContact C-N 3.33Å; K71-N73 PolarHBondContact O-N 3.18Å; K71-V74 PolarHBondContact O-N 3.46Å; K71-K75 WeakPolarHBondContact O-CB 3.36Å; K71-K75 PolarHBondContact O-N 3.46Å; K71-I110 HydrophobicContact CD-CG2 3.49Å; K71-I110 VanDerWaalsContact CD-CG2 3.49Å; K71-I110 HydrophobicContact CG-CG2 3.78Å; K71-L111 HydrophobicContact CB-CD2 3.86Å; K71-T114 HydrophobicContact CG-CG2 4.02Å; K71-T114 WeakPolarHBondContact CG-OG1 3.42Å |
| 72 | N | 91.2 | Very high | 91.7 | Very high | 84 Ų | 84 | 45.9 Ų | 45.9 | 45% | 0.449 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.5 | -39.1 | 177.1 | -67.5 | -21.2 | 0 | 0 | 0 | 111.5 | L68 I69 L70 K75 A76 | L68-N72 PolarHBondContact O-N 3.13Å; L68-N72 VanDerWaalsContact O-N 3.11Å; I69-N72 WeakPolarHBondContact O-CB 3.42Å; I69-N72 PolarHBondContact O-N 3.48Å; I69-N72 VanDerWaalsContact O-N 3.09Å; L70-N72 VanDerWaalsContact C-N 3.31Å; L70-N72 PolarHBondContact O-N 3.3Å; N72-K75 WeakPolarHBondContact O-CB 3.29Å; N72-K75 PolarHBondContact O-N 3.02Å; N72-A76 PolarHBondContact O-N 2.99Å |
| 73 | N | 91.6 | Very high | 91.5 | Very high | 6 Ų | 6 | 50.6 Ų | 50.6 | 3% | 0.032 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.9 | -43 | 176.4 | -67.1 | 0.2 | 0 | 0 | 0 | 112.3 | N39 N45 I69 L70 K71 K75 A76 H77 F81 | N39-N73 VanDerWaalsContact CG-OD1 3.23Å; N39-N73 PolarHBondContact ND2-OD1 3.34Å; N39-N73 VanDerWaalsContact OD1-CG 3.28Å; N39-N73 PolarHBondContact OD1-ND2 3.12Å; N39-N73 PolarHBondContact OD1-OD1 3.32Å; N39-N73 VanDerWaalsContact OD1-OD1 3.11Å; N45-N73 WeakPolarHBondContact OD1-CB 3.12Å; N45-N73 PolarHBondContact OD1-ND2 3.24Å; I69-N73 PolarHBondContact O-N 2.85Å; I69-N73 PolarHBondContact O-OD1 3.4Å; L70-N73 WeakPolarHBondContact O-CB 3.34Å; L70-N73 PolarHBondContact O-N 2.9Å; L70-N73 VanDerWaalsContact O-N 3.14Å; K71-N73 VanDerWaalsContact C-N 3.33Å; K71-N73 PolarHBondContact O-N 3.18Å; N73-K75 VanDerWaalsContact C-N 3.32Å; N73-A76 PolarHBondContact O-N 2.7Å; N73-H77 WeakPolarHBondContact O-CA 3.31Å; N73-H77 WeakPolarHBondContact O-CB 3.23Å; N73-H77 PolarHBondContact O-N 3.34Å; N73-F81 HydrophobicContact CB-CZ 4.16Å |
| 74 | V | 91.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -58.5 | -47.5 | 171.6 | 171.6 | 0 | 0 | 0 | 0 | 109.3 | L70 K71 A76 Y78 F81 T114 I115 | L70-V74 HydrophobicContact CD1-CG2 4.42Å; L70-V74 WeakPolarHBondContact O-CG2 3.43Å; L70-V74 PolarHBondContact O-N 3.44Å; K71-V74 PolarHBondContact O-N 3.46Å; V74-A76 VanDerWaalsContact C-N 3.28Å; V74-A76 PolarHBondContact O-N 2.86Å; V74-Y78 HydrophobicContact CB-CD2 4.45Å; V74-Y78 HydrophobicContact CG1-CD2 3.75Å; V74-Y78 HydrophobicContact CG1-CE2 4.49Å; V74-Y78 HydrophobicContact CG1-CG 4.18Å; V74-Y78 HydrophobicContact CG2-CD2 4.34Å; V74-Y78 WeakPolarHBondContact O-CB 3.45Å; V74-Y78 PolarHBondContact O-N 3.21Å; V74-Y78 VanDerWaalsContact O-N 3.16Å; V74-F81 HydrophobicContact CG2-CE2 4.04Å; V74-F81 HydrophobicContact CG2-CZ 4.35Å; V74-T114 HydrophobicContact CB-CG2 4.24Å; V74-T114 HydrophobicContact CG1-CG2 3.79Å; V74-I115 HydrophobicContact CG1-CG1 3.84Å; V74-I115 HydrophobicContact CG2-CG1 4.16Å |
| 75 | K | 89.3 | Confident | 91.2 | Very high | 131 Ų | 131 | 55.2 Ų | 55.2 | 57% | 0.57 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -57.7 | -39.5 | -179 | -164.2 | -178.8 | 178.9 | -178.4 | 0 | 113.3 | K71 N72 N73 T114 | K71-K75 WeakPolarHBondContact O-CB 3.36Å; K71-K75 PolarHBondContact O-N 3.46Å; N72-K75 WeakPolarHBondContact O-CB 3.29Å; N72-K75 PolarHBondContact O-N 3.02Å; N73-K75 VanDerWaalsContact C-N 3.32Å; K75-T114 HydrophobicContact CB-CG2 4.45Å |
| 76 | A | 86.6 | Confident | 91.1 | Very high | 68 Ų | 68 | 53.5 Ų | 53.5 | 56% | 0.562 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -91.1 | -32.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N72 N73 V74 | N72-A76 PolarHBondContact O-N 2.99Å; N73-A76 PolarHBondContact O-N 2.7Å; V74-A76 VanDerWaalsContact C-N 3.28Å; V74-A76 PolarHBondContact O-N 2.86Å |
| 77 | H | 87.8 | Confident | 91 | Very high | 77 Ų | 77 | 58 Ų | 58 | 36% | 0.356 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -136.9 | 11.6 | -162.2 | -54.5 | -46 | 0 | 0 | 0 | 114.6 | N73 Q79 N80 F81 | N73-H77 WeakPolarHBondContact O-CA 3.31Å; N73-H77 WeakPolarHBondContact O-CB 3.23Å; N73-H77 PolarHBondContact O-N 3.34Å; H77-Q79 PolarHBondContact O-N 2.73Å; H77-Q79 VanDerWaalsContact O-N 3.13Å; H77-N80 WeakPolarHBondContact O-CB 3.38Å; H77-N80 PolarHBondContact O-N 2.82Å; H77-F81 HydrophobicContact CB-CE1 4.16Å; H77-F81 VanDerWaalsContact O-CD1 3.24Å; H77-F81 WeakPolarHBondContact O-CD1 3.4Å |
| 78 | Y | 88.6 | Confident | 90.9 | Very high | 31 Ų | 31 | 58.8 Ų | 58.8 | 12% | 0.122 | 31% | 0.311 | C | S | . | . | G | 310 helix | trans | -55 | -36 | -174.7 | -173.7 | -103.1 | 0 | 0 | 0 | 114.2 | V74 N80 F81 A86 K90 I115 G119 | V74-Y78 HydrophobicContact CB-CD2 4.45Å; V74-Y78 HydrophobicContact CG1-CD2 3.75Å; V74-Y78 HydrophobicContact CG1-CE2 4.49Å; V74-Y78 HydrophobicContact CG1-CG 4.18Å; V74-Y78 HydrophobicContact CG2-CD2 4.34Å; V74-Y78 WeakPolarHBondContact O-CB 3.45Å; V74-Y78 PolarHBondContact O-N 3.21Å; V74-Y78 VanDerWaalsContact O-N 3.16Å; Y78-N80 PolarHBondContact O-N 3.16Å; Y78-N80 VanDerWaalsContact O-N 3.17Å; Y78-F81 HydrophobicContact CD2-CD2 4.21Å; Y78-F81 HydrophobicContact CD2-CG 4.5Å; Y78-F81 WeakPolarHBondContact O-CB 3.33Å; Y78-F81 PolarHBondContact O-N 3.34Å; Y78-A86 HydrophobicContact CE2-CB 4.45Å; Y78-K90 VanDerWaalsContact OH-CE 3.23Å; Y78-K90 WeakPolarHBondContact OH-CE 3.3Å; Y78-I115 HydrophobicContact CE2-CG1 4.3Å; Y78-I115 HydrophobicContact CE2-CG2 3.91Å; Y78-I115 WeakPolarHBondContact OH-CG2 3.34Å; Y78-G119 VanDerWaalsContact CD1-CA 3.47Å |
| 79 | Q | 85.9 | Confident | 91 | Very high | 183 Ų | 183 | 55.9 Ų | 55.9 | 86% | 0.855 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -61.7 | -23.9 | 176.8 | -65 | -179.7 | 1.2 | 0 | 0 | 113.4 | H77 | H77-Q79 PolarHBondContact O-N 2.73Å; H77-Q79 VanDerWaalsContact O-N 3.13Å |
| 80 | N | 87.2 | Confident | 91.1 | Very high | 121 Ų | 121 | 56 Ų | 56 | 65% | 0.647 | 30% | 0.296 | S | S | * | . | G | 310 helix | trans | -89.9 | -3.4 | 178.3 | -60.9 | -25.3 | 0 | 0 | 0 | 112.5 | H77 Y78 P82 | H77-N80 WeakPolarHBondContact O-CB 3.38Å; H77-N80 PolarHBondContact O-N 2.82Å; Y78-N80 PolarHBondContact O-N 3.16Å; Y78-N80 VanDerWaalsContact O-N 3.17Å; N80-P82 WeakPolarHBondContact O-CD 3.2Å |
| 81 | F | 89.4 | Confident | 91.1 | Very high | 24 Ų | 24 | 61 Ų | 61 | 11% | 0.105 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -72.6 | 128.8 | -177.8 | -79.7 | 27.6 | 0 | 0 | 0 | 110 | N45 L70 N73 V74 H77 Y78 V85 I89 | N45-F81 HydrophobicContact CB-CE2 4.12Å; N45-F81 HydrophobicContact CB-CZ 4.24Å; N45-F81 VanDerWaalsContact CG-CZ 3.49Å; N45-F81 WeakPolarHBondContact ND2-CZ 3.38Å; L70-F81 HydrophobicContact CD1-CE2 4.48Å; N73-F81 HydrophobicContact CB-CZ 4.16Å; V74-F81 HydrophobicContact CG2-CE2 4.04Å; V74-F81 HydrophobicContact CG2-CZ 4.35Å; H77-F81 HydrophobicContact CB-CE1 4.16Å; H77-F81 VanDerWaalsContact O-CD1 3.24Å; H77-F81 WeakPolarHBondContact O-CD1 3.4Å; Y78-F81 HydrophobicContact CD2-CD2 4.21Å; Y78-F81 HydrophobicContact CD2-CG 4.5Å; Y78-F81 WeakPolarHBondContact O-CB 3.33Å; Y78-F81 PolarHBondContact O-N 3.34Å; F81-V85 HydrophobicContact CD2-CG1 4.17Å; F81-I89 HydrophobicContact CD2-CD1 4.13Å; F81-I89 HydrophobicContact CE2-CD1 3.87Å |
| 82 | P | 91.1 | Very high | 91.1 | Very high | 38 Ų | 38 | 59.6 Ų | 59.6 | 25% | 0.247 | 31% | 0.309 | C | S | . | . | trans | -58.8 | 141.3 | 169.5 | -24.5 | 35.6 | 0 | 0 | 0 | 110.8 | P42 N80 N84 V85 A86 | P42-P82 VanDerWaalsContact CB-CD 3.4Å; P42-P82 HydrophobicContact CB-CG 3.61Å; P42-P82 HydrophobicContact CG-CG 3.82Å; N80-P82 WeakPolarHBondContact O-CD 3.2Å; P82-N84 WeakPolarHBondContact CB-OD1 3.29Å; P82-N84 PolarHBondContact O-N 2.87Å; P82-N84 VanDerWaalsContact O-N 3.13Å; P82-V85 HydrophobicContact CB-CG2 4.18Å; P82-V85 HydrophobicContact CG-CG2 4.23Å; P82-V85 WeakPolarHBondContact O-CB 3.47Å; P82-V85 PolarHBondContact O-N 3.31Å; P82-A86 PolarHBondContact O-N 3.08Å; P82-A86 VanDerWaalsContact O-N 3.11Å | ||
| 83 | P | 90.1 | Very high | 91.3 | Very high | 99 Ų | 99 | 55.6 Ų | 55.6 | 64% | 0.643 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -53.7 | -38.6 | -177.7 | -29.2 | 35.1 | 0 | 0 | 0 | 113.7 | V85 A86 D87 | P83-V85 VanDerWaalsContact C-N 3.32Å; P83-V85 PolarHBondContact O-N 3.49Å; P83-A86 PolarHBondContact O-N 3.28Å; P83-D87 WeakPolarHBondContact O-CB 3.46Å; P83-D87 PolarHBondContact O-N 2.83Å |
| 84 | N | 91.3 | Very high | 91.5 | Very high | 112 Ų | 112 | 55.7 Ų | 55.7 | 60% | 0.599 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -65.3 | -30.9 | 178.3 | 62.2 | -59.3 | 0 | 0 | 0 | 113.9 | P82 F88 | P82-N84 WeakPolarHBondContact CB-OD1 3.29Å; P82-N84 PolarHBondContact O-N 2.87Å; P82-N84 VanDerWaalsContact O-N 3.13Å; N84-F88 WeakPolarHBondContact O-CB 3.33Å; N84-F88 PolarHBondContact O-N 3.4Å |
| 85 | V | 92.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 60.7 Ų | 60.7 | 2% | 0.024 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -74.7 | -47.3 | 175.3 | 172.6 | 0 | 0 | 0 | 0 | 109.3 | P42 N45 N46 F81 P82 P83 D87 F88 I89 | P42-V85 HydrophobicContact CB-CG2 4.21Å; N45-V85 HydrophobicContact CB-CG1 4.1Å; N46-V85 WeakPolarHBondContact OD1-CG1 3.38Å; F81-V85 HydrophobicContact CD2-CG1 4.17Å; P82-V85 HydrophobicContact CB-CG2 4.18Å; P82-V85 HydrophobicContact CG-CG2 4.23Å; P82-V85 WeakPolarHBondContact O-CB 3.47Å; P82-V85 PolarHBondContact O-N 3.31Å; P83-V85 VanDerWaalsContact C-N 3.32Å; P83-V85 PolarHBondContact O-N 3.49Å; V85-D87 PolarHBondContact O-N 3.19Å; V85-F88 PolarHBondContact O-N 3.01Å; V85-I89 HydrophobicContact CG1-CD1 3.79Å; V85-I89 WeakPolarHBondContact O-CD1 3.42Å; V85-I89 VanDerWaalsContact O-CG1 3.3Å; V85-I89 WeakPolarHBondContact O-CG1 3.31Å; V85-I89 PolarHBondContact O-N 3.03Å |
| 86 | A | 92.4 | Very high | 91.9 | Very high | 10 Ų | 10 | 55.9 Ų | 55.9 | 8% | 0.083 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -58.5 | -47.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y78 P82 P83 F88 I89 K90 | Y78-A86 HydrophobicContact CE2-CB 4.45Å; P82-A86 PolarHBondContact O-N 3.08Å; P82-A86 VanDerWaalsContact O-N 3.11Å; P83-A86 PolarHBondContact O-N 3.28Å; A86-F88 VanDerWaalsContact C-N 3.33Å; A86-F88 PolarHBondContact O-N 2.61Å; A86-I89 PolarHBondContact O-N 3.23Å; A86-K90 WeakPolarHBondContact O-CB 3.21Å; A86-K90 VanDerWaalsContact O-CG 3.22Å; A86-K90 WeakPolarHBondContact O-CG 3.34Å; A86-K90 PolarHBondContact O-N 3.04Å |
| 87 | D | 92.4 | Very high | 92.2 | Very high | 96 Ų | 96 | 52.8 Ų | 52.8 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -63.7 | -37 | 179.1 | -68.6 | -18.9 | 0 | 0 | 0 | 112.5 | P83 V85 R91 | P83-D87 WeakPolarHBondContact O-CB 3.46Å; P83-D87 PolarHBondContact O-N 2.83Å; V85-D87 PolarHBondContact O-N 3.19Å; D87-R91 VanDerWaalsContact O-CB 3.29Å; D87-R91 WeakPolarHBondContact O-CB 3.4Å; D87-R91 PolarHBondContact O-N 2.94Å |
| 88 | F | 94.4 | Very high | 92.6 | Very high | 15 Ų | 15 | 49.8 Ų | 49.8 | 7% | 0.066 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.8 | -49 | 174.7 | -180 | -115.7 | 0 | 0 | 0 | 111.1 | W3 N46 I49 N84 V85 A86 R91 E92 | W3-F88 HydrophobicContact CD2-CE1 4.28Å; W3-F88 HydrophobicContact CD2-CZ 4.46Å; W3-F88 AromaticContact CE3-CE1 3.73Å; W3-F88 HydrophobicContact CE3-CE1 3.73Å; W3-F88 AromaticContact CE3-CZ 3.66Å; W3-F88 HydrophobicContact CE3-CZ 3.66Å; W3-F88 HydrophobicContact CZ3-CE1 4.2Å; W3-F88 HydrophobicContact CZ3-CZ 4.25Å; N46-F88 HydrophobicContact CB-CD1 4.07Å; N46-F88 HydrophobicContact CB-CE1 4.07Å; N46-F88 WeakPolarHBondContact OD1-CD1 3.21Å; I49-F88 HydrophobicContact CG2-CD1 3.75Å; I49-F88 HydrophobicContact CG2-CE1 3.51Å; N84-F88 WeakPolarHBondContact O-CB 3.33Å; N84-F88 PolarHBondContact O-N 3.4Å; V85-F88 PolarHBondContact O-N 3.01Å; A86-F88 VanDerWaalsContact C-N 3.33Å; A86-F88 PolarHBondContact O-N 2.61Å; F88-R91 PolarHBondContact O-N 3.47Å; F88-E92 HydrophobicContact CD2-CG 4.18Å; F88-E92 HydrophobicContact CE1-CG 4.24Å; F88-E92 HydrophobicContact CE2-CG 3.77Å; F88-E92 HydrophobicContact CZ-CG 3.8Å; F88-E92 WeakPolarHBondContact O-CB 3.42Å; F88-E92 WeakPolarHBondContact O-CG 3.29Å; F88-E92 PolarHBondContact O-N 3.24Å |
| 89 | I | 94.8 | Very high | 92.9 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.4 | -47.6 | 178.5 | -63.6 | 160.9 | 0 | 0 | 0 | 110.9 | N45 I49 L70 F81 V85 A86 R91 E92 C93 I115 | N45-I89 HydrophobicContact CB-CD1 4.14Å; I49-I89 HydrophobicContact CB-CG1 4.2Å; I49-I89 HydrophobicContact CD1-CG2 4.38Å; I49-I89 HydrophobicContact CG1-CG2 4.36Å; I49-I89 HydrophobicContact CG2-CG1 3.92Å; L70-I89 HydrophobicContact CD1-CD1 4.07Å; L70-I89 HydrophobicContact CD2-CD1 4.5Å; L70-I89 HydrophobicContact CD2-CG1 4.44Å; L70-I89 HydrophobicContact CD2-CG2 4.05Å; F81-I89 HydrophobicContact CD2-CD1 4.13Å; F81-I89 HydrophobicContact CE2-CD1 3.87Å; V85-I89 HydrophobicContact CG1-CD1 3.79Å; V85-I89 WeakPolarHBondContact O-CD1 3.42Å; V85-I89 VanDerWaalsContact O-CG1 3.3Å; V85-I89 WeakPolarHBondContact O-CG1 3.31Å; V85-I89 PolarHBondContact O-N 3.03Å; A86-I89 PolarHBondContact O-N 3.23Å; I89-R91 VanDerWaalsContact C-N 3.33Å; I89-R91 PolarHBondContact O-N 3.12Å; I89-E92 PolarHBondContact O-N 2.71Å; I89-C93 WeakPolarHBondContact O-CB 3.47Å; I89-C93 PolarHBondContact O-N 3.05Å; I89-C93 PolarHBondContact O-SG 2.66Å; I89-I115 HydrophobicContact CG2-CD1 3.73Å |
| 90 | K | 95 | Very high | 93.2 | Very high | 20 Ų | 20 | 44.9 Ų | 44.9 | 9% | 0.087 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -53.8 | -49.2 | 177.6 | -76.9 | 178.2 | 176.4 | -177.1 | 0 | 111.4 | Y78 A86 L94 I115 T123 W124 | Y78-K90 VanDerWaalsContact OH-CE 3.23Å; Y78-K90 WeakPolarHBondContact OH-CE 3.3Å; A86-K90 WeakPolarHBondContact O-CB 3.21Å; A86-K90 VanDerWaalsContact O-CG 3.22Å; A86-K90 WeakPolarHBondContact O-CG 3.34Å; A86-K90 PolarHBondContact O-N 3.04Å; K90-L94 PolarHBondContact O-N 2.82Å; K90-I115 HydrophobicContact CG-CG2 4.35Å; K90-T123 PolarHBondContact NZ-O 3.43Å; K90-W124 HydrophobicContact CB-CD2 4.47Å; K90-W124 HydrophobicContact CB-CH2 3.74Å; K90-W124 HydrophobicContact CB-CZ2 3.36Å; K90-W124 HydrophobicContact CB-CZ3 4.43Å; K90-W124 HydrophobicContact CD-CD2 3.7Å; K90-W124 HydrophobicContact CD-CE3 4.09Å; K90-W124 HydrophobicContact CD-CG 4.02Å; K90-W124 HydrophobicContact CD-CZ2 4.17Å; K90-W124 HydrophobicContact CD-CZ3 4.49Å; K90-W124 HydrophobicContact CG-CD2 3.86Å; K90-W124 HydrophobicContact CG-CE3 3.9Å; K90-W124 HydrophobicContact CG-CH2 3.62Å; K90-W124 HydrophobicContact CG-CZ2 3.55Å; K90-W124 HydrophobicContact CG-CZ3 3.79Å |
| 91 | R | 94.7 | Very high | 93.5 | Very high | 105 Ų | 105 | 39.4 Ų | 39.4 | 40% | 0.396 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.9 | -45 | -179.9 | -176.1 | 178.7 | 66.1 | -177.3 | 6.1 | 112.5 | D87 F88 I89 C93 L94 N95 | D87-R91 VanDerWaalsContact O-CB 3.29Å; D87-R91 WeakPolarHBondContact O-CB 3.4Å; D87-R91 PolarHBondContact O-N 2.94Å; F88-R91 PolarHBondContact O-N 3.47Å; I89-R91 VanDerWaalsContact C-N 3.33Å; I89-R91 PolarHBondContact O-N 3.12Å; R91-C93 VanDerWaalsContact C-N 3.32Å; R91-C93 PolarHBondContact O-N 3.46Å; R91-L94 PolarHBondContact O-N 2.74Å; R91-N95 WeakPolarHBondContact O-CB 3.45Å; R91-N95 VanDerWaalsContact O-CG 3.29Å; R91-N95 PolarHBondContact O-N 3.33Å; R91-N95 PolarHBondContact O-ND2 2.72Å |
| 92 | E | 95.6 | Very high | 93.5 | Very high | 24 Ų | 24 | 42.2 Ų | 42.2 | 11% | 0.112 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -62.5 | -39.8 | 178.9 | -77.6 | -56.7 | 124.9 | 0 | 0 | 112.2 | I49 T53 F88 I89 N96 | I49-E92 HydrophobicContact CD1-CB 4.21Å; I49-E92 HydrophobicContact CG1-CB 3.54Å; I49-E92 HydrophobicContact CG1-CG 4.19Å; T53-E92 HydrophobicContact CG2-CB 4.16Å; T53-E92 PolarHBondContact OG1-OE2 3.01Å; F88-E92 HydrophobicContact CD2-CG 4.18Å; F88-E92 HydrophobicContact CE1-CG 4.24Å; F88-E92 HydrophobicContact CE2-CG 3.77Å; F88-E92 HydrophobicContact CZ-CG 3.8Å; F88-E92 WeakPolarHBondContact O-CB 3.42Å; F88-E92 WeakPolarHBondContact O-CG 3.29Å; F88-E92 PolarHBondContact O-N 3.24Å; I89-E92 PolarHBondContact O-N 2.71Å; E92-N96 WeakPolarHBondContact O-CB 3.22Å; E92-N96 PolarHBondContact O-N 3.04Å; E92-N96 PolarHBondContact O-ND2 3.48Å |
| 93 | C | 95.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.3 | -51.5 | 175.1 | -67.8 | 0 | 0 | 0 | 0 | 111.5 | I89 R91 N95 N96 I97 I108 I112 | I89-C93 WeakPolarHBondContact O-CB 3.47Å; I89-C93 PolarHBondContact O-N 3.05Å; I89-C93 PolarHBondContact O-SG 2.66Å; R91-C93 VanDerWaalsContact C-N 3.32Å; R91-C93 PolarHBondContact O-N 3.46Å; C93-N95 VanDerWaalsContact C-N 3.34Å; C93-N95 PolarHBondContact O-N 3.05Å; C93-N96 PolarHBondContact O-N 3.44Å; C93-I97 PolarHBondContact O-N 3.12Å; C93-I97 VanDerWaalsContact O-N 3.08Å; C93-I108 HydrophobicContact CB-CG2 4.03Å; C93-I108 WeakPolarHBondContact O-CG2 3.49Å; C93-I112 HydrophobicContact CB-CD1 4.06Å; C93-I112 HydrophobicContact CB-CG1 3.68Å |
| 94 | L | 94.4 | Very high | 93.7 | Very high | 8 Ų | 8 | 39.3 Ų | 39.3 | 4% | 0.042 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.1 | -35.6 | -177.7 | -69.9 | 175.6 | 0 | 0 | 0 | 113.1 | K90 R91 N96 I112 W124 L127 Q130 L131 | K90-L94 PolarHBondContact O-N 2.82Å; R91-L94 PolarHBondContact O-N 2.74Å; L94-N96 VanDerWaalsContact C-N 3.28Å; L94-N96 PolarHBondContact O-N 3.08Å; L94-I112 HydrophobicContact CD2-CD1 4.24Å; L94-W124 HydrophobicContact CD1-CZ2 3.54Å; L94-W124 HydrophobicContact CD2-CZ2 4.48Å; L94-W124 HydrophobicContact CG-CH2 4.43Å; L94-W124 HydrophobicContact CG-CZ2 3.86Å; L94-L127 HydrophobicContact CD2-CD1 3.87Å; L94-Q130 HydrophobicContact CD1-CG 4.38Å; L94-L131 HydrophobicContact CD2-CD2 3.94Å; L94-L131 HydrophobicContact CD2-CG 4.36Å |
| 95 | N | 94.1 | Very high | 93.8 | Very high | 106 Ų | 106 | 34.9 Ų | 34.9 | 57% | 0.567 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -70.7 | -23.2 | 177.7 | -74 | -15.9 | 0 | 0 | 0 | 113.5 | R91 C93 | R91-N95 WeakPolarHBondContact O-CB 3.45Å; R91-N95 VanDerWaalsContact O-CG 3.29Å; R91-N95 PolarHBondContact O-N 3.33Å; R91-N95 PolarHBondContact O-ND2 2.72Å; C93-N95 VanDerWaalsContact C-N 3.34Å; C93-N95 PolarHBondContact O-N 3.05Å |
| 96 | N | 95.2 | Very high | 93.6 | Very high | 31 Ų | 31 | 37.2 Ų | 37.2 | 17% | 0.166 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -114.7 | 10.6 | -174 | -68.8 | -91.4 | 0 | 0 | 0 | 113.3 | T53 E92 C93 L94 G98 D99 I108 | T53-N96 WeakPolarHBondContact CB-ND2 3.15Å; T53-N96 HydrophobicContact CG2-CB 4Å; T53-N96 PolarHBondContact O-OD1 3.25Å; E92-N96 WeakPolarHBondContact O-CB 3.22Å; E92-N96 PolarHBondContact O-N 3.04Å; E92-N96 PolarHBondContact O-ND2 3.48Å; C93-N96 PolarHBondContact O-N 3.44Å; L94-N96 VanDerWaalsContact C-N 3.28Å; L94-N96 PolarHBondContact O-N 3.08Å; N96-G98 PolarHBondContact O-N 2.7Å; N96-G98 VanDerWaalsContact O-N 3.08Å; N96-D99 PolarHBondContact O-N 2.69Å; N96-I108 HydrophobicContact CB-CD1 3.67Å; N96-I108 WeakPolarHBondContact O-CD1 3.43Å |
| 97 | I | 94.8 | Very high | 93.7 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -23.4 | -179.8 | -158 | 168 | 0 | 0 | 0 | 113 | C93 R105 I108 I112 L131 L134 T142 A149 | C93-I97 PolarHBondContact O-N 3.12Å; C93-I97 VanDerWaalsContact O-N 3.08Å; I97-R105 VanDerWaalsContact O-CD 3.28Å; I97-R105 WeakPolarHBondContact O-CD 3.41Å; I97-R105 WeakPolarHBondContact O-CG 3.37Å; I97-I108 HydrophobicContact CB-CG2 4.49Å; I97-I108 HydrophobicContact CG1-CG2 4.48Å; I97-I112 HydrophobicContact CD1-CD1 3.7Å; I97-I112 HydrophobicContact CG1-CD1 4.27Å; I97-L131 HydrophobicContact CD1-CD2 3.41Å; I97-L131 VanDerWaalsContact CD1-CD2 3.41Å; I97-L134 HydrophobicContact CG2-CD1 4.05Å; I97-T142 HydrophobicContact CG2-CG2 4.32Å; I97-A149 HydrophobicContact CD1-CB 4.07Å |
| 98 | G | 94.6 | Very high | 93.8 | Very high | 15 Ų | 15 | 32.4 Ų | 32.4 | 16% | 0.155 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 25.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N96 N141 | N96-G98 PolarHBondContact O-N 2.7Å; N96-G98 VanDerWaalsContact O-N 3.08Å; G98-N141 WeakPolarHBondContact O-CB 3.45Å |
| 99 | D | 95.4 | Very high | 93.7 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 5% | 0.048 | 19% | 0.185 | C | C | . | . | trans | -52.9 | 140 | 177.7 | -168.2 | -76.5 | 0 | 0 | 0 | 111.1 | K56 R63 N96 S101 I104 R105 | K56-D99 IonicContact NZ-OD2 3.62Å; K56-D99 PolarHBondContact NZ-OD2 3.2Å; R63-D99 IonicContact CZ-OD2 3.41Å; R63-D99 IonicContact NH2-OD2 3.38Å; R63-D99 PolarHBondContact NH2-OD2 3Å; N96-D99 PolarHBondContact O-N 2.69Å; D99-S101 PolarHBondContact O-N 3.46Å; D99-S101 WeakPolarHBondContact OD1-CB 3.32Å; D99-S101 PolarHBondContact OD1-N 3.35Å; D99-I104 HydrophobicContact CB-CB 4.12Å; D99-I104 HydrophobicContact CB-CG2 3.78Å; D99-R105 HydrophobicContact CB-CG 4.09Å; D99-R105 WeakPolarHBondContact O-CD 3.45Å; D99-R105 WeakPolarHBondContact O-CG 3.43Å; D99-R105 PolarHBondContact O-NH1 3.04Å | ||
| 100 | P | 92.8 | Very high | 93.5 | Very high | 102 Ų | 102 | 35.5 Ų | 35.5 | 66% | 0.662 | 20% | 0.202 | S | C | * | . | S | Bend | trans | -60.5 | -29.2 | 179.6 | -26 | 35.1 | 0 | 0 | 0 | 114.4 | P102 R105 | P100-P102 WeakPolarHBondContact O-CD 3.47Å; P100-R105 PolarHBondContact O-NH1 3.33Å |
| 101 | S | 92.9 | Very high | 93.4 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 4% | 0.035 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -79 | 122.7 | 178.2 | 171.2 | 0 | 0 | 0 | 0 | 110.9 | E60 D99 L103 I104 R105 | E60-S101 PolarHBondContact OE2-OG 2.95Å; D99-S101 PolarHBondContact O-N 3.46Å; D99-S101 WeakPolarHBondContact OD1-CB 3.32Å; D99-S101 PolarHBondContact OD1-N 3.35Å; S101-L103 PolarHBondContact O-N 3.24Å; S101-L103 PolarHBondContact OG-N 2.99Å; S101-I104 PolarHBondContact O-N 3.31Å; S101-I104 PolarHBondContact OG-N 3.2Å; S101-R105 PolarHBondContact O-N 3.03Å |
| 102 | P | 89.2 | Confident | 93.4 | Very high | 84 Ų | 84 | 29.5 Ų | 29.5 | 55% | 0.545 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -58.6 | -35.4 | 174.4 | -23.1 | 33.7 | 0 | 0 | 0 | 113 | P100 R105 A106 | P100-P102 WeakPolarHBondContact O-CD 3.47Å; P102-R105 PolarHBondContact O-N 2.92Å; P102-A106 WeakPolarHBondContact O-CB 3.45Å; P102-A106 PolarHBondContact O-N 3.14Å |
| 103 | L | 92 | Very high | 93.1 | Very high | 75 Ų | 75 | 29 Ų | 29 | 39% | 0.393 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.1 | -44.2 | 178 | 178 | 62.3 | 0 | 0 | 0 | 110.9 | E60 S101 A106 T107 | E60-L103 HydrophobicContact CB-CD2 4.21Å; S101-L103 PolarHBondContact O-N 3.24Å; S101-L103 PolarHBondContact OG-N 2.99Å; L103-A106 PolarHBondContact O-N 3.3Å; L103-T107 PolarHBondContact O-N 3.22Å; L103-T107 PolarHBondContact O-OG1 3.37Å; L103-T107 VanDerWaalsContact O-OG1 3.12Å |
| 104 | I | 94.3 | Very high | 92.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.8 | -41.6 | 178.9 | -57.8 | -59.3 | 0 | 0 | 0 | 111.1 | L52 R63 D99 S101 A106 T107 I108 | L52-I104 HydrophobicContact CD1-CD1 4.02Å; L52-I104 HydrophobicContact CD1-CG2 4.07Å; R63-I104 HydrophobicContact CB-CD1 3.61Å; D99-I104 HydrophobicContact CB-CB 4.12Å; D99-I104 HydrophobicContact CB-CG2 3.78Å; S101-I104 PolarHBondContact O-N 3.31Å; S101-I104 PolarHBondContact OG-N 3.2Å; I104-A106 VanDerWaalsContact C-N 3.33Å; I104-A106 PolarHBondContact O-N 3Å; I104-T107 PolarHBondContact O-N 2.98Å; I104-I108 HydrophobicContact CG2-CD1 3.78Å; I104-I108 HydrophobicContact CG2-CG1 4.34Å; I104-I108 WeakPolarHBondContact O-CG1 3.3Å; I104-I108 PolarHBondContact O-N 3.13Å |
| 105 | R | 92.2 | Very high | 92.9 | Very high | 19 Ų | 19 | 29.8 Ų | 29.8 | 7% | 0.072 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.4 | -44.5 | 174.7 | -67.9 | -161.4 | -58 | -81.2 | 6.2 | 112 | I97 D99 P100 S101 P102 T107 I108 G109 N141 E144 | I97-R105 VanDerWaalsContact O-CD 3.28Å; I97-R105 WeakPolarHBondContact O-CD 3.41Å; I97-R105 WeakPolarHBondContact O-CG 3.37Å; D99-R105 HydrophobicContact CB-CG 4.09Å; D99-R105 WeakPolarHBondContact O-CD 3.45Å; D99-R105 WeakPolarHBondContact O-CG 3.43Å; D99-R105 PolarHBondContact O-NH1 3.04Å; P100-R105 PolarHBondContact O-NH1 3.33Å; S101-R105 PolarHBondContact O-N 3.03Å; P102-R105 PolarHBondContact O-N 2.92Å; R105-T107 PolarHBondContact O-N 3.11Å; R105-I108 PolarHBondContact O-N 2.81Å; R105-G109 PolarHBondContact O-N 2.86Å; R105-N141 PolarHBondContact NH1-OD1 3.07Å; R105-E144 IonicContact CZ-OE2 3.84Å; R105-E144 IonicContact NE-OE2 3.69Å; R105-E144 PolarHBondContact NE-OE2 3.1Å; R105-E144 IonicContact NH2-OE2 3.14Å; R105-E144 PolarHBondContact NH2-OE2 3.2Å |
| 106 | A | 89.4 | Confident | 92.6 | Very high | 54 Ų | 54 | 24.9 Ų | 24.9 | 45% | 0.446 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -59.4 | -46.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | P102 L103 I104 I108 G109 I110 | P102-A106 WeakPolarHBondContact O-CB 3.45Å; P102-A106 PolarHBondContact O-N 3.14Å; L103-A106 PolarHBondContact O-N 3.3Å; I104-A106 VanDerWaalsContact C-N 3.33Å; I104-A106 PolarHBondContact O-N 3Å; A106-I108 PolarHBondContact O-N 3.21Å; A106-G109 PolarHBondContact O-N 2.68Å; A106-I110 VanDerWaalsContact O-CG1 3.31Å; A106-I110 WeakPolarHBondContact O-CG1 3.29Å; A106-I110 PolarHBondContact O-N 2.88Å |
| 107 | T | 93.8 | Very high | 92.3 | Very high | 5 Ų | 5 | 26.6 Ų | 26.6 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.7 | -39.2 | 178.3 | -62.4 | 0 | 0 | 0 | 0 | 112.7 | L52 S64 L68 L103 I104 R105 I110 L111 | L52-T107 HydrophobicContact CD1-CG2 3.92Å; L52-T107 HydrophobicContact CD2-CG2 4.16Å; S64-T107 PolarHBondContact OG-OG1 2.91Å; L68-T107 HydrophobicContact CG-CG2 4.49Å; L103-T107 PolarHBondContact O-N 3.22Å; L103-T107 PolarHBondContact O-OG1 3.37Å; L103-T107 VanDerWaalsContact O-OG1 3.12Å; I104-T107 PolarHBondContact O-N 2.98Å; R105-T107 PolarHBondContact O-N 3.11Å; T107-I110 PolarHBondContact O-N 2.88Å; T107-L111 PolarHBondContact O-N 3.43Å |
| 108 | I | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -65.8 | -43.7 | 174 | -69.6 | 170.1 | 0 | 0 | 0 | 110.8 | L52 T53 C93 N96 I97 I104 R105 A106 I110 L111 I112 | L52-I108 HydrophobicContact CD2-CG1 3.87Å; L52-I108 HydrophobicContact CG-CG1 4.32Å; T53-I108 HydrophobicContact CG2-CD1 4.47Å; C93-I108 HydrophobicContact CB-CG2 4.03Å; C93-I108 WeakPolarHBondContact O-CG2 3.49Å; N96-I108 HydrophobicContact CB-CD1 3.67Å; N96-I108 WeakPolarHBondContact O-CD1 3.43Å; I97-I108 HydrophobicContact CB-CG2 4.49Å; I97-I108 HydrophobicContact CG1-CG2 4.48Å; I104-I108 HydrophobicContact CG2-CD1 3.78Å; I104-I108 HydrophobicContact CG2-CG1 4.34Å; I104-I108 WeakPolarHBondContact O-CG1 3.3Å; I104-I108 PolarHBondContact O-N 3.13Å; R105-I108 PolarHBondContact O-N 2.81Å; A106-I108 PolarHBondContact O-N 3.21Å; I108-I110 PolarHBondContact O-N 3.02Å; I108-L111 WeakPolarHBondContact O-CB 3.06Å; I108-L111 PolarHBondContact O-N 2.81Å; I108-I112 HydrophobicContact CG2-CD1 3.96Å; I108-I112 HydrophobicContact CG2-CG1 4.46Å; I108-I112 WeakPolarHBondContact O-CG1 3.48Å; I108-I112 PolarHBondContact O-N 3.48Å |
| 109 | G | 90.9 | Very high | 91.3 | Very high | 10 Ų | 10 | 31 Ų | 31 | 10% | 0.103 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.5 | -46.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R105 A106 L111 I112 T113 | R105-G109 PolarHBondContact O-N 2.86Å; A106-G109 PolarHBondContact O-N 2.68Å; G109-L111 VanDerWaalsContact C-N 3.32Å; G109-L111 PolarHBondContact O-N 3.46Å; G109-I112 PolarHBondContact O-N 2.91Å; G109-T113 VanDerWaalsContact O-CG2 3.25Å; G109-T113 WeakPolarHBondContact O-CG2 3.36Å; G109-T113 PolarHBondContact O-N 3.05Å; G109-T113 PolarHBondContact O-OG1 3.23Å |
| 110 | I | 90.5 | Very high | 90.8 | Very high | 71 Ų | 71 | 36.6 Ų | 36.6 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.5 | -39.9 | 175.6 | -69.8 | 165.4 | 0 | 0 | 0 | 111.6 | K71 A106 T107 I108 T113 T114 | K71-I110 HydrophobicContact CD-CG2 3.49Å; K71-I110 VanDerWaalsContact CD-CG2 3.49Å; K71-I110 HydrophobicContact CG-CG2 3.78Å; A106-I110 VanDerWaalsContact O-CG1 3.31Å; A106-I110 WeakPolarHBondContact O-CG1 3.29Å; A106-I110 PolarHBondContact O-N 2.88Å; T107-I110 PolarHBondContact O-N 2.88Å; I108-I110 PolarHBondContact O-N 3.02Å; I110-T113 WeakPolarHBondContact CA-OG1 3.19Å; I110-T113 PolarHBondContact O-OG1 3.42Å; I110-T114 VanDerWaalsContact O-CB 3.28Å; I110-T114 WeakPolarHBondContact O-CB 3.45Å; I110-T114 PolarHBondContact O-N 3.25Å; I110-T114 PolarHBondContact O-OG1 2.83Å |
| 111 | L | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -65.2 | -46.1 | 176.1 | -83.6 | 169.7 | 0 | 0 | 0 | 111.7 | I49 L52 L70 K71 T107 I108 G109 T113 T114 I115 | I49-L111 HydrophobicContact CD1-CD1 4.31Å; L52-L111 HydrophobicContact CD2-CD1 3.46Å; L52-L111 VanDerWaalsContact CD2-CD1 3.46Å; L70-L111 HydrophobicContact CB-CD2 4.11Å; L70-L111 HydrophobicContact CD2-CD1 4.09Å; L70-L111 HydrophobicContact CD2-CD2 4.04Å; L70-L111 HydrophobicContact CG-CD2 3.8Å; K71-L111 HydrophobicContact CB-CD2 3.86Å; T107-L111 PolarHBondContact O-N 3.43Å; I108-L111 WeakPolarHBondContact O-CB 3.06Å; I108-L111 PolarHBondContact O-N 2.81Å; G109-L111 VanDerWaalsContact C-N 3.32Å; G109-L111 PolarHBondContact O-N 3.46Å; L111-T113 VanDerWaalsContact C-N 3.32Å; L111-T113 PolarHBondContact O-N 3.24Å; L111-T114 PolarHBondContact O-N 3.31Å; L111-I115 WeakPolarHBondContact O-CB 3.45Å; L111-I115 WeakPolarHBondContact O-CD1 3.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.2Å; L111-I115 PolarHBondContact O-N 2.76Å |
| 112 | I | 94.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -57.1 | -48 | 177.2 | -70 | 170.1 | 0 | 0 | 0 | 110.3 | C93 L94 I97 I108 G109 I115 A116 W124 L127 A149 I153 | C93-I112 HydrophobicContact CB-CD1 4.06Å; C93-I112 HydrophobicContact CB-CG1 3.68Å; L94-I112 HydrophobicContact CD2-CD1 4.24Å; I97-I112 HydrophobicContact CD1-CD1 3.7Å; I97-I112 HydrophobicContact CG1-CD1 4.27Å; I108-I112 HydrophobicContact CG2-CD1 3.96Å; I108-I112 HydrophobicContact CG2-CG1 4.46Å; I108-I112 WeakPolarHBondContact O-CG1 3.48Å; I108-I112 PolarHBondContact O-N 3.48Å; G109-I112 PolarHBondContact O-N 2.91Å; I112-I115 PolarHBondContact O-N 3.12Å; I112-A116 WeakPolarHBondContact O-CB 3.45Å; I112-A116 PolarHBondContact O-N 3.32Å; I112-W124 HydrophobicContact CG1-CH2 4.43Å; I112-W124 HydrophobicContact CG2-CZ3 4.42Å; I112-L127 HydrophobicContact CG2-CD1 3.77Å; I112-L127 HydrophobicContact CG2-CD2 4.18Å; I112-A149 HydrophobicContact CG2-CB 4.4Å; I112-I153 HydrophobicContact CG2-CD1 4.43Å |
| 113 | T | 89.5 | Confident | 90.1 | Very high | 12 Ų | 12 | 34.5 Ų | 34.5 | 7% | 0.074 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -69.3 | -38.6 | -177.6 | 60.9 | 0 | 0 | 0 | 0 | 111.8 | G109 I110 L111 I115 A116 S117 K152 I153 | G109-T113 VanDerWaalsContact O-CG2 3.25Å; G109-T113 WeakPolarHBondContact O-CG2 3.36Å; G109-T113 PolarHBondContact O-N 3.05Å; G109-T113 PolarHBondContact O-OG1 3.23Å; I110-T113 WeakPolarHBondContact CA-OG1 3.19Å; I110-T113 PolarHBondContact O-OG1 3.42Å; L111-T113 VanDerWaalsContact C-N 3.32Å; L111-T113 PolarHBondContact O-N 3.24Å; T113-I115 PolarHBondContact O-N 3.03Å; T113-A116 PolarHBondContact O-N 2.58Å; T113-S117 WeakPolarHBondContact O-CB 3.34Å; T113-S117 PolarHBondContact O-N 3.17Å; T113-K152 HydrophobicContact CG2-CB 3.5Å; T113-K152 VanDerWaalsContact CG2-CB 3.5Å; T113-K152 HydrophobicContact CG2-CG 3.5Å; T113-I153 HydrophobicContact CG2-CG1 4.14Å |
| 114 | T | 91.8 | Very high | 90.1 | Very high | 22 Ų | 22 | 31.5 Ų | 31.5 | 14% | 0.135 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.1 | -41.5 | 175.4 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | K71 V74 K75 I110 L111 S117 K118 | K71-T114 HydrophobicContact CG-CG2 4.02Å; K71-T114 WeakPolarHBondContact CG-OG1 3.42Å; V74-T114 HydrophobicContact CB-CG2 4.24Å; V74-T114 HydrophobicContact CG1-CG2 3.79Å; K75-T114 HydrophobicContact CB-CG2 4.45Å; I110-T114 VanDerWaalsContact O-CB 3.28Å; I110-T114 WeakPolarHBondContact O-CB 3.45Å; I110-T114 PolarHBondContact O-N 3.25Å; I110-T114 PolarHBondContact O-OG1 2.83Å; L111-T114 PolarHBondContact O-N 3.31Å; T114-S117 PolarHBondContact O-N 2.95Å; T114-K118 HydrophobicContact CG2-CG 4.46Å; T114-K118 WeakPolarHBondContact O-CB 3.34Å; T114-K118 PolarHBondContact O-N 3.19Å |
| 115 | I | 92.9 | Very high | 89.8 | Confident | 3 Ų | 3 | 35.4 Ų | 35.4 | 2% | 0.015 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65 | -44.6 | 176.2 | -69.1 | 165.1 | 0 | 0 | 0 | 110.4 | V74 Y78 I89 K90 L111 I112 T113 S117 G119 W124 | V74-I115 HydrophobicContact CG1-CG1 3.84Å; V74-I115 HydrophobicContact CG2-CG1 4.16Å; Y78-I115 HydrophobicContact CE2-CG1 4.3Å; Y78-I115 HydrophobicContact CE2-CG2 3.91Å; Y78-I115 WeakPolarHBondContact OH-CG2 3.34Å; I89-I115 HydrophobicContact CG2-CD1 3.73Å; K90-I115 HydrophobicContact CG-CG2 4.35Å; L111-I115 WeakPolarHBondContact O-CB 3.45Å; L111-I115 WeakPolarHBondContact O-CD1 3.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.2Å; L111-I115 PolarHBondContact O-N 2.76Å; I112-I115 PolarHBondContact O-N 3.12Å; T113-I115 PolarHBondContact O-N 3.03Å; I115-S117 VanDerWaalsContact C-N 3.35Å; I115-S117 PolarHBondContact O-N 3.19Å; I115-G119 VanDerWaalsContact O-CA 3.32Å; I115-G119 WeakPolarHBondContact O-CA 3.37Å; I115-G119 PolarHBondContact O-N 3.08Å; I115-W124 HydrophobicContact CB-CE3 4.47Å; I115-W124 HydrophobicContact CB-CZ3 4.03Å; I115-W124 HydrophobicContact CD1-CZ3 4.49Å; I115-W124 HydrophobicContact CG2-CE3 3.65Å; I115-W124 HydrophobicContact CG2-CZ3 3.58Å |
| 116 | A | 89.6 | Confident | 89.7 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 3% | 0.033 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I112 T113 E120 L121 L127 | I112-A116 WeakPolarHBondContact O-CB 3.45Å; I112-A116 PolarHBondContact O-N 3.32Å; T113-A116 PolarHBondContact O-N 2.58Å; A116-E120 CarbonylContact O-C 3.39Å; A116-E120 PolarHBondContact O-N 3Å; A116-L121 HydrophobicContact CB-CD1 4.04Å; A116-L121 PolarHBondContact O-N 3Å; A116-L127 HydrophobicContact CB-CD2 4Å |
| 117 | S | 87.1 | Confident | 90 | Very high | 67 Ų | 67 | 37.3 Ų | 37.3 | 47% | 0.469 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.4 | -49.7 | 178.9 | 173.9 | 0 | 0 | 0 | 0 | 112.4 | T113 T114 I115 | T113-S117 WeakPolarHBondContact O-CB 3.34Å; T113-S117 PolarHBondContact O-N 3.17Å; T114-S117 PolarHBondContact O-N 2.95Å; I115-S117 VanDerWaalsContact C-N 3.35Å; I115-S117 PolarHBondContact O-N 3.19Å |
| 118 | K | 87.7 | Confident | 90 | Very high | 100 Ų | 100 | 37.8 Ų | 37.8 | 44% | 0.435 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -83.7 | -24.4 | -174.6 | -69.4 | -68.8 | 180 | -164.9 | 0 | 114.6 | T114 | T114-K118 HydrophobicContact CG2-CG 4.46Å; T114-K118 WeakPolarHBondContact O-CB 3.34Å; T114-K118 PolarHBondContact O-N 3.19Å |
| 119 | G | 82 | Confident | 89.9 | Confident | 8 Ų | 8 | 41.3 Ų | 41.3 | 8% | 0.082 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -90.3 | -3.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y78 I115 T123 | Y78-G119 VanDerWaalsContact CD1-CA 3.47Å; I115-G119 VanDerWaalsContact O-CA 3.32Å; I115-G119 WeakPolarHBondContact O-CA 3.37Å; I115-G119 PolarHBondContact O-N 3.08Å; G119-T123 WeakPolarHBondContact O-CB 3.16Å; G119-T123 WeakPolarHBondContact O-CG2 3.31Å; G119-T123 PolarHBondContact O-OG1 3.41Å |
| 120 | E | 84.1 | Confident | 90.1 | Very high | 128 Ų | 128 | 44 Ų | 44 | 60% | 0.598 | 24% | 0.237 | S | C | * | . | trans | 62.5 | 127.1 | -166 | -51.4 | 176.7 | -176.4 | 0 | 0 | 112.2 | A116 Q122 T123 | A116-E120 CarbonylContact O-C 3.39Å; A116-E120 PolarHBondContact O-N 3Å; E120-Q122 PolarHBondContact O-N 3.46Å; E120-Q122 VanDerWaalsContact O-N 3.08Å; E120-T123 HydrophobicContact CB-CG2 4.28Å; E120-T123 PolarHBondContact O-N 2.74Å; E120-T123 PolarHBondContact O-OG1 2.88Å | ||
| 121 | L | 86.1 | Confident | 90.3 | Very high | 4 Ų | 4 | 40.7 Ų | 40.7 | 2% | 0.021 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -59.7 | -27.5 | -173.6 | -173 | 57.9 | 0 | 0 | 0 | 112.8 | A116 T123 W124 L127 L128 I153 L161 L166 | A116-L121 HydrophobicContact CB-CD1 4.04Å; A116-L121 PolarHBondContact O-N 3Å; L121-T123 PolarHBondContact O-N 3.06Å; L121-W124 PolarHBondContact O-N 3.29Å; L121-L127 HydrophobicContact CD1-CD2 3.89Å; L121-L128 HydrophobicContact CD2-CD1 4.25Å; L121-I153 HydrophobicContact CD2-CG2 4.22Å; L121-L161 HydrophobicContact CD2-CD2 3.92Å; L121-L166 HydrophobicContact CB-CD1 4.4Å; L121-L166 HydrophobicContact CD2-CD1 3.6Å; L121-L166 HydrophobicContact CG-CD1 3.95Å |
| 122 | Q | 86.7 | Confident | 90.3 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 34% | 0.341 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -63.4 | -24.9 | 176.5 | -57.9 | 83.9 | -9.3 | 0 | 0 | 112.9 | E120 W124 L166 | E120-Q122 PolarHBondContact O-N 3.46Å; E120-Q122 VanDerWaalsContact O-N 3.08Å; Q122-W124 VanDerWaalsContact C-N 3.27Å; Q122-W124 PolarHBondContact O-N 3.28Å; Q122-L166 HydrophobicContact CB-CD2 4.3Å; Q122-L166 HydrophobicContact CG-CD2 3.84Å; Q122-L166 HydrophobicContact CG-CG 4.49Å |
| 123 | T | 88.1 | Confident | 90.3 | Very high | 70 Ų | 70 | 46.5 Ų | 46.5 | 43% | 0.429 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -84 | -1.7 | -179.2 | 76 | 0 | 0 | 0 | 0 | 113.4 | K90 G119 E120 L121 | K90-T123 PolarHBondContact NZ-O 3.43Å; G119-T123 WeakPolarHBondContact O-CB 3.16Å; G119-T123 WeakPolarHBondContact O-CG2 3.31Å; G119-T123 PolarHBondContact O-OG1 3.41Å; E120-T123 HydrophobicContact CB-CG2 4.28Å; E120-T123 PolarHBondContact O-N 2.74Å; E120-T123 PolarHBondContact O-OG1 2.88Å; L121-T123 PolarHBondContact O-N 3.06Å |
| 124 | W | 91.3 | Very high | 90.6 | Very high | 11 Ų | 11 | 47.8 Ų | 47.8 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | trans | -130.1 | 66.7 | 174.2 | -162.7 | -4.8 | 0 | 0 | 0 | 111.3 | K90 L94 I112 I115 L121 Q122 E126 L127 | K90-W124 HydrophobicContact CB-CD2 4.47Å; K90-W124 HydrophobicContact CB-CH2 3.74Å; K90-W124 HydrophobicContact CB-CZ2 3.36Å; K90-W124 HydrophobicContact CB-CZ3 4.43Å; K90-W124 HydrophobicContact CD-CD2 3.7Å; K90-W124 HydrophobicContact CD-CE3 4.09Å; K90-W124 HydrophobicContact CD-CG 4.02Å; K90-W124 HydrophobicContact CD-CZ2 4.17Å; K90-W124 HydrophobicContact CD-CZ3 4.49Å; K90-W124 HydrophobicContact CG-CD2 3.86Å; K90-W124 HydrophobicContact CG-CE3 3.9Å; K90-W124 HydrophobicContact CG-CH2 3.62Å; K90-W124 HydrophobicContact CG-CZ2 3.55Å; K90-W124 HydrophobicContact CG-CZ3 3.79Å; L94-W124 HydrophobicContact CD1-CZ2 3.54Å; L94-W124 HydrophobicContact CD2-CZ2 4.48Å; L94-W124 HydrophobicContact CG-CH2 4.43Å; L94-W124 HydrophobicContact CG-CZ2 3.86Å; I112-W124 HydrophobicContact CG1-CH2 4.43Å; I112-W124 HydrophobicContact CG2-CZ3 4.42Å; I115-W124 HydrophobicContact CB-CE3 4.47Å; I115-W124 HydrophobicContact CB-CZ3 4.03Å; I115-W124 HydrophobicContact CD1-CZ3 4.49Å; I115-W124 HydrophobicContact CG2-CE3 3.65Å; I115-W124 HydrophobicContact CG2-CZ3 3.58Å; L121-W124 PolarHBondContact O-N 3.29Å; Q122-W124 VanDerWaalsContact C-N 3.27Å; Q122-W124 PolarHBondContact O-N 3.28Å; W124-E126 PolarHBondContact O-N 3.12Å; W124-L127 HydrophobicContact CB-CB 4.27Å; W124-L127 HydrophobicContact CD2-CB 3.84Å; W124-L127 HydrophobicContact CD2-CD1 4.22Å; W124-L127 HydrophobicContact CD2-CD2 4.11Å; W124-L127 HydrophobicContact CD2-CG 4.28Å; W124-L127 HydrophobicContact CE3-CB 4.41Å; W124-L127 HydrophobicContact CE3-CD1 4.27Å; W124-L127 HydrophobicContact CE3-CD2 3.8Å; W124-L127 HydrophobicContact CE3-CG 4.38Å; W124-L127 HydrophobicContact CG-CB 3.76Å; W124-L127 HydrophobicContact CH2-CD1 4.02Å; W124-L127 HydrophobicContact CZ2-CD1 3.97Å; W124-L127 HydrophobicContact CZ3-CD1 4.17Å; W124-L127 HydrophobicContact CZ3-CD2 4.19Å; W124-L127 VanDerWaalsContact O-CB 3.28Å; W124-L127 WeakPolarHBondContact O-CB 3.45Å; W124-L127 PolarHBondContact O-N 3.04Å; W124-L127 VanDerWaalsContact O-N 3.08Å | ||
| 125 | P | 88.2 | Confident | 90.8 | Very high | 83 Ų | 83 | 46.9 Ų | 46.9 | 54% | 0.539 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -24.9 | -171 | 26.3 | -34.6 | 0 | 0 | 0 | 113.7 | L127 P129 | P125-L127 VanDerWaalsContact C-N 3.32Å; P125-P129 WeakPolarHBondContact O-CD 3.46Å |
| 126 | E | 91 | Very high | 90.8 | Very high | 113 Ų | 113 | 51 Ų | 51 | 53% | 0.528 | 27% | 0.274 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -13.8 | 178.2 | -52.9 | 82.4 | -173.3 | 0 | 0 | 113.7 | W124 P129 Q130 | W124-E126 PolarHBondContact O-N 3.12Å; E126-P129 WeakPolarHBondContact O-CD 3.36Å; E126-Q130 WeakPolarHBondContact O-CB 3.5Å; E126-Q130 PolarHBondContact O-N 3.22Å |
| 127 | L | 94.3 | Very high | 91 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.5 | -60.2 | -171.6 | 178.7 | 59.1 | 0 | 0 | 0 | 112.6 | L94 I112 A116 L121 W124 P125 Q130 L131 I153 | L94-L127 HydrophobicContact CD2-CD1 3.87Å; I112-L127 HydrophobicContact CG2-CD1 3.77Å; I112-L127 HydrophobicContact CG2-CD2 4.18Å; A116-L127 HydrophobicContact CB-CD2 4Å; L121-L127 HydrophobicContact CD1-CD2 3.89Å; W124-L127 HydrophobicContact CB-CB 4.27Å; W124-L127 HydrophobicContact CD2-CB 3.84Å; W124-L127 HydrophobicContact CD2-CD1 4.22Å; W124-L127 HydrophobicContact CD2-CD2 4.11Å; W124-L127 HydrophobicContact CD2-CG 4.28Å; W124-L127 HydrophobicContact CE3-CB 4.41Å; W124-L127 HydrophobicContact CE3-CD1 4.27Å; W124-L127 HydrophobicContact CE3-CD2 3.8Å; W124-L127 HydrophobicContact CE3-CG 4.38Å; W124-L127 HydrophobicContact CG-CB 3.76Å; W124-L127 HydrophobicContact CH2-CD1 4.02Å; W124-L127 HydrophobicContact CZ2-CD1 3.97Å; W124-L127 HydrophobicContact CZ3-CD1 4.17Å; W124-L127 HydrophobicContact CZ3-CD2 4.19Å; W124-L127 VanDerWaalsContact O-CB 3.28Å; W124-L127 WeakPolarHBondContact O-CB 3.45Å; W124-L127 PolarHBondContact O-N 3.04Å; W124-L127 VanDerWaalsContact O-N 3.08Å; P125-L127 VanDerWaalsContact C-N 3.32Å; L127-Q130 PolarHBondContact O-N 3.31Å; L127-L131 HydrophobicContact CD1-CD1 3.66Å; L127-L131 HydrophobicContact CD1-CG 3.96Å; L127-L131 HydrophobicContact CG-CD1 3.96Å; L127-L131 WeakPolarHBondContact O-CB 3.39Å; L127-L131 WeakPolarHBondContact O-CG 3.46Å; L127-L131 PolarHBondContact O-N 3.12Å; L127-I153 HydrophobicContact CD2-CD1 3.99Å; L127-I153 HydrophobicContact CG-CD1 4.47Å |
| 128 | L | 93.9 | Very high | 91.2 | Very high | 15 Ų | 15 | 59.6 Ų | 59.6 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.3 | -46.4 | -176.4 | -56.8 | 173.9 | 0 | 0 | 0 | 112.1 | L121 Q130 L131 C132 L150 I153 L161 P169 M173 | L121-L128 HydrophobicContact CD2-CD1 4.25Å; L128-Q130 VanDerWaalsContact C-N 3.31Å; L128-Q130 PolarHBondContact O-N 2.85Å; L128-L131 PolarHBondContact O-N 3.39Å; L128-C132 WeakPolarHBondContact O-CB 3.28Å; L128-C132 PolarHBondContact O-N 3.46Å; L128-C132 PolarHBondContact O-SG 3.11Å; L128-L150 HydrophobicContact CD2-CD2 4.25Å; L128-I153 HydrophobicContact CD2-CD1 4.39Å; L128-I153 HydrophobicContact CD2-CG2 4.05Å; L128-L161 HydrophobicContact CD1-CD2 3.5Å; L128-L161 HydrophobicContact CD2-CD2 4.26Å; L128-P169 HydrophobicContact CD1-CB 3.81Å; L128-P169 HydrophobicContact CD1-CG 3.82Å; L128-M173 HydrophobicContact CD1-SD 4.33Å; L128-M173 HydrophobicContact CD2-CE 4.43Å; L128-M173 HydrophobicContact CD2-SD 4.5Å |
| 129 | P | 93.6 | Very high | 91.5 | Very high | 73 Ų | 73 | 58 Ų | 58 | 47% | 0.474 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.8 | -41.1 | 175 | -25.1 | 35.1 | 0 | 0 | 0 | 112.8 | P125 E126 C132 N133 | P125-P129 WeakPolarHBondContact O-CD 3.46Å; E126-P129 WeakPolarHBondContact O-CD 3.36Å; P129-C132 PolarHBondContact O-N 3.19Å; P129-N133 WeakPolarHBondContact O-CB 3.43Å; P129-N133 PolarHBondContact O-N 3.25Å; P129-N133 PolarHBondContact O-ND2 3.21Å |
| 130 | Q | 94.5 | Very high | 92.1 | Very high | 68 Ų | 68 | 62 Ų | 62 | 32% | 0.318 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -69.9 | -44.4 | -179.1 | -172 | 164.9 | -10.3 | 0 | 0 | 111.8 | L94 E126 L127 L128 C132 N133 L134 | L94-Q130 HydrophobicContact CD1-CG 4.38Å; E126-Q130 WeakPolarHBondContact O-CB 3.5Å; E126-Q130 PolarHBondContact O-N 3.22Å; L127-Q130 PolarHBondContact O-N 3.31Å; L128-Q130 VanDerWaalsContact C-N 3.31Å; L128-Q130 PolarHBondContact O-N 2.85Å; Q130-C132 VanDerWaalsContact C-N 3.34Å; Q130-C132 PolarHBondContact O-N 2.91Å; Q130-N133 WeakPolarHBondContact O-CB 3.45Å; Q130-N133 PolarHBondContact O-N 3.02Å; Q130-N133 VanDerWaalsContact O-N 3.16Å; Q130-L134 HydrophobicContact CG-CD1 4.22Å; Q130-L134 VanDerWaalsContact O-CG 3.27Å; Q130-L134 WeakPolarHBondContact O-CG 3.33Å; Q130-L134 PolarHBondContact O-N 3.03Å |
| 131 | L | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.3 | -44.1 | 174.1 | -70.6 | 175.4 | 0 | 0 | 0 | 111.5 | L94 I97 L127 L128 N133 L134 L135 A149 L150 I153 | L94-L131 HydrophobicContact CD2-CD2 3.94Å; L94-L131 HydrophobicContact CD2-CG 4.36Å; I97-L131 HydrophobicContact CD1-CD2 3.41Å; I97-L131 VanDerWaalsContact CD1-CD2 3.41Å; L127-L131 HydrophobicContact CD1-CD1 3.66Å; L127-L131 HydrophobicContact CD1-CG 3.96Å; L127-L131 HydrophobicContact CG-CD1 3.96Å; L127-L131 WeakPolarHBondContact O-CB 3.39Å; L127-L131 WeakPolarHBondContact O-CG 3.46Å; L127-L131 PolarHBondContact O-N 3.12Å; L128-L131 PolarHBondContact O-N 3.39Å; L131-N133 VanDerWaalsContact C-N 3.29Å; L131-N133 PolarHBondContact O-N 2.93Å; L131-L134 PolarHBondContact O-N 3.41Å; L131-L135 PolarHBondContact O-N 3.1Å; L131-A149 HydrophobicContact CD1-CB 4.28Å; L131-A149 HydrophobicContact CD2-CB 4.3Å; L131-L150 HydrophobicContact CB-CD1 4.06Å; L131-L150 HydrophobicContact CB-CD2 3.79Å; L131-L150 HydrophobicContact CB-CG 3.87Å; L131-L150 HydrophobicContact CD1-CD2 3.83Å; L131-L150 HydrophobicContact CD1-CG 4.07Å; L131-L150 HydrophobicContact CG-CD2 4.48Å; L131-I153 HydrophobicContact CD1-CD1 3.8Å |
| 132 | C | 94.6 | Very high | 93.1 | Very high | 13 Ų | 13 | 58.7 Ų | 58.7 | 9% | 0.088 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.3 | -35.6 | 175.7 | -70.3 | 0 | 0 | 0 | 0 | 112.9 | L128 P129 Q130 L135 N136 | L128-C132 WeakPolarHBondContact O-CB 3.28Å; L128-C132 PolarHBondContact O-N 3.46Å; L128-C132 PolarHBondContact O-SG 3.11Å; P129-C132 PolarHBondContact O-N 3.19Å; Q130-C132 VanDerWaalsContact C-N 3.34Å; Q130-C132 PolarHBondContact O-N 2.91Å; C132-L135 WeakPolarHBondContact O-CB 3.45Å; C132-N136 PolarHBondContact O-ND2 2.88Å |
| 133 | N | 94.8 | Very high | 93.5 | Very high | 109 Ų | 109 | 55.4 Ų | 55.4 | 58% | 0.583 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -69 | -40.4 | 175.2 | -74.7 | -27.1 | 0 | 0 | 0 | 111.7 | P129 Q130 L131 L135 N136 | P129-N133 WeakPolarHBondContact O-CB 3.43Å; P129-N133 PolarHBondContact O-N 3.25Å; P129-N133 PolarHBondContact O-ND2 3.21Å; Q130-N133 WeakPolarHBondContact O-CB 3.45Å; Q130-N133 PolarHBondContact O-N 3.02Å; Q130-N133 VanDerWaalsContact O-N 3.16Å; L131-N133 VanDerWaalsContact C-N 3.29Å; L131-N133 PolarHBondContact O-N 2.93Å; N133-L135 PolarHBondContact O-N 3Å; N133-N136 WeakPolarHBondContact O-CB 3.48Å; N133-N136 PolarHBondContact O-N 3.27Å; N133-N136 PolarHBondContact O-ND2 2.69Å; N133-N136 VanDerWaalsContact O-ND2 3.13Å |
| 134 | L | 95.3 | Very high | 93.7 | Very high | 40 Ų | 40 | 52.9 Ų | 52.9 | 21% | 0.209 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65 | -23 | 178.8 | -70.2 | 169.3 | 0 | 0 | 0 | 113 | I97 Q130 L131 N136 S137 T142 S146 | I97-L134 HydrophobicContact CG2-CD1 4.05Å; Q130-L134 HydrophobicContact CG-CD1 4.22Å; Q130-L134 VanDerWaalsContact O-CG 3.27Å; Q130-L134 WeakPolarHBondContact O-CG 3.33Å; Q130-L134 PolarHBondContact O-N 3.03Å; L131-L134 PolarHBondContact O-N 3.41Å; L134-N136 PolarHBondContact O-N 3.38Å; L134-S137 WeakPolarHBondContact O-CB 3.41Å; L134-S137 PolarHBondContact O-N 3.39Å; L134-T142 HydrophobicContact CB-CG2 4.13Å; L134-T142 HydrophobicContact CD2-CG2 3.84Å; L134-T142 HydrophobicContact CG-CG2 4.49Å; L134-S146 VanDerWaalsContact CB-OG 3.24Å; L134-S146 WeakPolarHBondContact CB-OG 3.37Å |
| 135 | L | 95.4 | Very high | 93.8 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 2% | 0.016 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.8 | 168.9 | -61.3 | -175.3 | 0 | 0 | 0 | 113.5 | L131 C132 N133 S137 F147 L150 F177 F180 | L131-L135 PolarHBondContact O-N 3.1Å; C132-L135 WeakPolarHBondContact O-CB 3.45Å; N133-L135 PolarHBondContact O-N 3Å; L135-S137 VanDerWaalsContact C-N 3.29Å; L135-F147 HydrophobicContact CD1-CE1 4.33Å; L135-F147 HydrophobicContact CD1-CE2 4.08Å; L135-F147 HydrophobicContact CD1-CZ 3.96Å; L135-F147 HydrophobicContact CD2-CB 4.35Å; L135-F147 HydrophobicContact CD2-CD1 4.44Å; L135-F147 HydrophobicContact CD2-CD2 3.44Å; L135-F147 VanDerWaalsContact CD2-CD2 3.44Å; L135-F147 HydrophobicContact CD2-CE2 3.71Å; L135-F147 HydrophobicContact CD2-CG 3.83Å; L135-F147 HydrophobicContact CD2-CZ 4.32Å; L135-F147 HydrophobicContact CG-CE2 4.43Å; L135-L150 HydrophobicContact CD1-CD1 3.83Å; L135-L150 HydrophobicContact CD2-CD1 4.23Å; L135-L150 HydrophobicContact CG-CD1 4.14Å; L135-F177 HydrophobicContact CD1-CD1 4.34Å; L135-F177 HydrophobicContact CD1-CE1 4.11Å; L135-F180 HydrophobicContact CB-CE2 4Å; L135-F180 HydrophobicContact CB-CZ 3.76Å; L135-F180 HydrophobicContact CD1-CE2 4.17Å; L135-F180 VanDerWaalsContact O-CZ 3.29Å; L135-F180 WeakPolarHBondContact O-CZ 3.42Å |
| 136 | N | 93.8 | Very high | 94.2 | Very high | 89 Ų | 89 | 48.8 Ų | 48.8 | 48% | 0.476 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 2.6 | 175.9 | -52.8 | -68.3 | 0 | 0 | 0 | 113.2 | C132 N133 L134 K176 | C132-N136 PolarHBondContact O-ND2 2.88Å; N133-N136 WeakPolarHBondContact O-CB 3.48Å; N133-N136 PolarHBondContact O-N 3.27Å; N133-N136 PolarHBondContact O-ND2 2.69Å; N133-N136 VanDerWaalsContact O-ND2 3.13Å; L134-N136 PolarHBondContact O-N 3.38Å; N136-K176 WeakPolarHBondContact OD1-CE 3.38Å; N136-K176 PolarHBondContact OD1-NZ 3.24Å |
| 137 | S | 93.8 | Very high | 94.4 | Very high | 48 Ų | 48 | 43.4 Ų | 43.4 | 34% | 0.336 | 23% | 0.228 | S | C | . | . | trans | -62.9 | 141.5 | 178.1 | -173 | 0 | 0 | 0 | 0 | 110.9 | L134 L135 D139 | L134-S137 WeakPolarHBondContact O-CB 3.41Å; L134-S137 PolarHBondContact O-N 3.39Å; L135-S137 VanDerWaalsContact C-N 3.29Å; S137-D139 PolarHBondContact O-N 3.32Å; S137-D139 PolarHBondContact OG-N 2.85Å | ||
| 138 | E | 91.3 | Very high | 94.2 | Very high | 204 Ų | 204 | 44.7 Ų | 44.7 | 95% | 0.953 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -71.8 | -18.7 | 170.2 | -64.4 | -173.6 | 173.3 | 0 | 0 | 111.9 | Y140 | E138-Y140 PolarHBondContact O-N 3.12Š|
| 139 | D | 94.3 | Very high | 94.1 | Very high | 65 Ų | 65 | 44 Ų | 44 | 35% | 0.348 | 24% | 0.238 | S | C | . | . | trans | -78.6 | 117.5 | 175.2 | 174.6 | 50.4 | 0 | 0 | 0 | 111.3 | S137 N141 T142 C143 | S137-D139 PolarHBondContact O-N 3.32Å; S137-D139 PolarHBondContact OG-N 2.85Å; D139-N141 VanDerWaalsContact C-N 3.31Å; D139-N141 PolarHBondContact O-N 3.49Å; D139-T142 PolarHBondContact O-N 3.28Å; D139-T142 VanDerWaalsContact OD2-CB 3.3Å; D139-T142 WeakPolarHBondContact OD2-CB 3.41Å; D139-T142 PolarHBondContact OD2-N 3.04Å; D139-T142 PolarHBondContact OD2-OG1 3.32Å; D139-C143 PolarHBondContact O-N 2.95Å; D139-C143 VanDerWaalsContact O-N 3.08Å | ||
| 140 | Y | 94.1 | Very high | 94.2 | Very high | 92 Ų | 92 | 40.5 Ų | 40.5 | 36% | 0.361 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -55.4 | -44 | 179.4 | 173.6 | -99.6 | 0 | 0 | 0 | 112.6 | E138 T142 C143 E144 S185 I188 | E138-Y140 PolarHBondContact O-N 3.12Å; Y140-T142 PolarHBondContact O-N 3.12Å; Y140-C143 PolarHBondContact O-N 3.07Å; Y140-E144 HydrophobicContact CE1-CB 4.36Å; Y140-E144 WeakPolarHBondContact O-CB 3.3Å; Y140-E144 PolarHBondContact O-N 3.11Å; Y140-S185 WeakPolarHBondContact CE2-OG 3.47Å; Y140-S185 PolarHBondContact OH-OG 3.44Å; Y140-I188 HydrophobicContact CD2-CD1 3.86Å; Y140-I188 HydrophobicContact CE2-CD1 3.62Å; Y140-I188 HydrophobicContact CE2-CG1 4.22Å |
| 141 | N | 95.1 | Very high | 94.1 | Very high | 40 Ų | 40 | 39.3 Ų | 39.3 | 21% | 0.214 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -67.5 | -39.1 | -175.9 | -66.4 | -43.2 | 0 | 0 | 0 | 111.3 | G98 R105 D139 E144 G145 | G98-N141 WeakPolarHBondContact O-CB 3.45Å; R105-N141 PolarHBondContact NH1-OD1 3.07Å; D139-N141 VanDerWaalsContact C-N 3.31Å; D139-N141 PolarHBondContact O-N 3.49Å; N141-E144 PolarHBondContact O-N 3.44Å; N141-G145 PolarHBondContact O-N 3.15Å |
| 142 | T | 95.2 | Very high | 93.8 | Very high | 23 Ų | 23 | 43.1 Ų | 43.1 | 14% | 0.141 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 174 | -60.3 | 0 | 0 | 0 | 0 | 111.3 | I97 L134 D139 Y140 S146 | I97-T142 HydrophobicContact CG2-CG2 4.32Å; L134-T142 HydrophobicContact CB-CG2 4.13Å; L134-T142 HydrophobicContact CD2-CG2 3.84Å; L134-T142 HydrophobicContact CG-CG2 4.49Å; D139-T142 PolarHBondContact O-N 3.28Å; D139-T142 VanDerWaalsContact OD2-CB 3.3Å; D139-T142 WeakPolarHBondContact OD2-CB 3.41Å; D139-T142 PolarHBondContact OD2-N 3.04Å; D139-T142 PolarHBondContact OD2-OG1 3.32Å; Y140-T142 PolarHBondContact O-N 3.12Å; T142-S146 VanDerWaalsContact O-CB 3.27Å; T142-S146 WeakPolarHBondContact O-CB 3.34Å; T142-S146 PolarHBondContact O-N 3.45Å; T142-S146 PolarHBondContact O-OG 2.88Å |
| 143 | C | 94.9 | Very high | 93.7 | Very high | 5 Ų | 5 | 42.6 Ų | 42.6 | 3% | 0.034 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.8 | -46.3 | 177 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | D139 Y140 S146 F147 I188 | D139-C143 PolarHBondContact O-N 2.95Å; D139-C143 VanDerWaalsContact O-N 3.08Å; Y140-C143 PolarHBondContact O-N 3.07Å; C143-S146 PolarHBondContact O-N 2.85Å; C143-F147 PolarHBondContact O-N 3.22Å; C143-I188 HydrophobicContact CB-CD1 4.4Å |
| 144 | E | 94 | Very high | 93.6 | Very high | 16 Ų | 16 | 37.4 Ų | 37.4 | 8% | 0.075 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.2 | -45.8 | -178.4 | -175.1 | -94.8 | 167.8 | 0 | 0 | 112.5 | R105 Y140 N141 S146 F147 G148 K187 H191 | R105-E144 IonicContact CZ-OE2 3.84Å; R105-E144 IonicContact NE-OE2 3.69Å; R105-E144 PolarHBondContact NE-OE2 3.1Å; R105-E144 IonicContact NH2-OE2 3.14Å; R105-E144 PolarHBondContact NH2-OE2 3.2Å; Y140-E144 HydrophobicContact CE1-CB 4.36Å; Y140-E144 WeakPolarHBondContact O-CB 3.3Å; Y140-E144 PolarHBondContact O-N 3.11Å; N141-E144 PolarHBondContact O-N 3.44Å; E144-S146 VanDerWaalsContact C-N 3.3Å; E144-S146 PolarHBondContact O-N 2.98Å; E144-F147 PolarHBondContact O-N 3.14Å; E144-G148 PolarHBondContact O-N 3.35Å; E144-K187 HydrophobicContact CG-CD 4.05Å; E144-K187 WeakPolarHBondContact OE1-CE 3.42Å; E144-K187 IonicContact OE1-NZ 3.52Å; E144-K187 PolarHBondContact OE1-NZ 2.9Å; E144-H191 IonicContact OE1-NE2 3.25Å |
| 145 | G | 93.1 | Very high | 93.3 | Very high | 8 Ų | 8 | 38.9 Ų | 38.9 | 8% | 0.082 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.7 | -36.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | N141 G148 A149 | N141-G145 PolarHBondContact O-N 3.15Å; G145-G148 PolarHBondContact O-N 3.28Å; G145-A149 PolarHBondContact O-N 3.28Å; G145-A149 VanDerWaalsContact O-N 3.08Å |
| 146 | S | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.8 | -41.1 | 174.9 | -59 | 0 | 0 | 0 | 0 | 111.9 | L134 T142 C143 E144 A149 L150 | L134-S146 VanDerWaalsContact CB-OG 3.24Å; L134-S146 WeakPolarHBondContact CB-OG 3.37Å; T142-S146 VanDerWaalsContact O-CB 3.27Å; T142-S146 WeakPolarHBondContact O-CB 3.34Å; T142-S146 PolarHBondContact O-N 3.45Å; T142-S146 PolarHBondContact O-OG 2.88Å; C143-S146 PolarHBondContact O-N 2.85Å; E144-S146 VanDerWaalsContact C-N 3.3Å; E144-S146 PolarHBondContact O-N 2.98Å; S146-A149 PolarHBondContact O-N 3.49Å; S146-L150 WeakPolarHBondContact O-CB 3.11Å; S146-L150 VanDerWaalsContact O-CG 3.3Å; S146-L150 WeakPolarHBondContact O-CG 3.45Å; S146-L150 PolarHBondContact O-N 2.99Å |
| 147 | F | 94.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.3 | -42.2 | 173.7 | -106.6 | -58 | 0 | 0 | 0 | 112.4 | L135 C143 E144 A149 L150 Q151 F177 F180 I188 H191 A192 | L135-F147 HydrophobicContact CD1-CE1 4.33Å; L135-F147 HydrophobicContact CD1-CE2 4.08Å; L135-F147 HydrophobicContact CD1-CZ 3.96Å; L135-F147 HydrophobicContact CD2-CB 4.35Å; L135-F147 HydrophobicContact CD2-CD1 4.44Å; L135-F147 HydrophobicContact CD2-CD2 3.44Å; L135-F147 VanDerWaalsContact CD2-CD2 3.44Å; L135-F147 HydrophobicContact CD2-CE2 3.71Å; L135-F147 HydrophobicContact CD2-CG 3.83Å; L135-F147 HydrophobicContact CD2-CZ 4.32Å; L135-F147 HydrophobicContact CG-CE2 4.43Å; C143-F147 PolarHBondContact O-N 3.22Å; E144-F147 PolarHBondContact O-N 3.14Å; F147-A149 VanDerWaalsContact C-N 3.34Å; F147-A149 PolarHBondContact O-N 3.03Å; F147-L150 PolarHBondContact O-N 2.86Å; F147-Q151 WeakPolarHBondContact O-CB 3.28Å; F147-Q151 PolarHBondContact O-N 3.48Å; F147-F177 AromaticContact CE1-CD1 3.67Å; F147-F177 HydrophobicContact CE1-CD1 3.67Å; F147-F177 HydrophobicContact CE1-CE1 4.02Å; F147-F177 HydrophobicContact CE1-CG 4.43Å; F147-F177 HydrophobicContact CZ-CD1 4.04Å; F147-F180 HydrophobicContact CE2-CB 3.95Å; F147-F180 AromaticContact CE2-CD1 3.87Å; F147-F180 HydrophobicContact CE2-CD1 3.87Å; F147-F180 AromaticContact CE2-CD2 3.88Å; F147-F180 HydrophobicContact CE2-CD2 3.88Å; F147-F180 HydrophobicContact CE2-CE1 4.34Å; F147-F180 HydrophobicContact CE2-CE2 4.36Å; F147-F180 AromaticContact CE2-CG 3.62Å; F147-F180 HydrophobicContact CE2-CG 3.62Å; F147-F180 HydrophobicContact CZ-CB 3.83Å; F147-F180 HydrophobicContact CZ-CD1 4.48Å; F147-F180 AromaticContact CZ-CD2 3.75Å; F147-F180 HydrophobicContact CZ-CD2 3.75Å; F147-F180 HydrophobicContact CZ-CE2 4.45Å; F147-F180 AromaticContact CZ-CG 3.77Å; F147-F180 HydrophobicContact CZ-CG 3.77Å; F147-I188 HydrophobicContact CD2-CG2 4Å; F147-I188 HydrophobicContact CE2-CG2 3.78Å; F147-H191 HydrophobicContact CB-CB 3.71Å; F147-H191 HydrophobicContact CD1-CB 3.71Å; F147-H191 HydrophobicContact CG-CB 3.76Å; F147-A192 HydrophobicContact CE1-CB 4.02Å; F147-A192 HydrophobicContact CZ-CB 3.9Å |
| 148 | G | 90.6 | Very high | 92.3 | Very high | 28 Ų | 28 | 38.7 Ų | 38.7 | 29% | 0.289 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -59.5 | -42.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E144 G145 K152 | E144-G148 PolarHBondContact O-N 3.35Å; G145-G148 PolarHBondContact O-N 3.28Å; G148-K152 PolarHBondContact O-N 3.03Å |
| 149 | A | 92.4 | Very high | 92 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.8 | -44.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I97 I112 L131 G145 S146 F147 K152 I153 | I97-A149 HydrophobicContact CD1-CB 4.07Å; I112-A149 HydrophobicContact CG2-CB 4.4Å; L131-A149 HydrophobicContact CD1-CB 4.28Å; L131-A149 HydrophobicContact CD2-CB 4.3Å; G145-A149 PolarHBondContact O-N 3.28Å; G145-A149 VanDerWaalsContact O-N 3.08Å; S146-A149 PolarHBondContact O-N 3.49Å; F147-A149 VanDerWaalsContact C-N 3.34Å; F147-A149 PolarHBondContact O-N 3.03Å; A149-K152 PolarHBondContact O-N 3.21Å; A149-I153 VanDerWaalsContact O-CG1 3.28Å; A149-I153 WeakPolarHBondContact O-CG1 3.19Å; A149-I153 PolarHBondContact O-N 3.11Å |
| 150 | L | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 178.6 | -75.8 | 170.5 | 0 | 0 | 0 | 112.3 | L128 L131 L135 S146 F147 K152 I153 C154 M173 F177 | L128-L150 HydrophobicContact CD2-CD2 4.25Å; L131-L150 HydrophobicContact CB-CD1 4.06Å; L131-L150 HydrophobicContact CB-CD2 3.79Å; L131-L150 HydrophobicContact CB-CG 3.87Å; L131-L150 HydrophobicContact CD1-CD2 3.83Å; L131-L150 HydrophobicContact CD1-CG 4.07Å; L131-L150 HydrophobicContact CG-CD2 4.48Å; L135-L150 HydrophobicContact CD1-CD1 3.83Å; L135-L150 HydrophobicContact CD2-CD1 4.23Å; L135-L150 HydrophobicContact CG-CD1 4.14Å; S146-L150 WeakPolarHBondContact O-CB 3.11Å; S146-L150 VanDerWaalsContact O-CG 3.3Å; S146-L150 WeakPolarHBondContact O-CG 3.45Å; S146-L150 PolarHBondContact O-N 2.99Å; F147-L150 PolarHBondContact O-N 2.86Å; L150-K152 VanDerWaalsContact C-N 3.32Å; L150-K152 PolarHBondContact O-N 2.98Å; L150-I153 PolarHBondContact O-N 3.04Å; L150-C154 PolarHBondContact O-N 3.27Å; L150-C154 PolarHBondContact O-SG 3.2Å; L150-M173 HydrophobicContact CD2-CE 4.03Å; L150-F177 HydrophobicContact CD1-CE1 3.99Å; L150-F177 HydrophobicContact CD1-CZ 4.34Å |
| 151 | Q | 93 | Very high | 91.3 | Very high | 43 Ų | 43 | 32.8 Ų | 32.8 | 20% | 0.201 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -55.9 | -50.3 | 175.8 | -178.9 | -174.6 | -18.1 | 0 | 0 | 110.3 | F147 I153 C154 E155 H191 A194 C195 | F147-Q151 WeakPolarHBondContact O-CB 3.28Å; F147-Q151 PolarHBondContact O-N 3.48Å; Q151-I153 VanDerWaalsContact C-N 3.34Å; Q151-I153 PolarHBondContact O-N 2.91Å; Q151-C154 WeakPolarHBondContact O-CB 3.3Å; Q151-C154 PolarHBondContact O-N 2.99Å; Q151-E155 WeakPolarHBondContact CG-OE1 3.29Å; Q151-E155 PolarHBondContact NE2-OE1 3.09Å; Q151-E155 WeakPolarHBondContact O-CG 3.46Å; Q151-E155 PolarHBondContact O-N 2.72Å; Q151-H191 PolarHBondContact OE1-CE1 3.11Å; Q151-H191 PolarHBondContact OE1-ND1 2.96Å; Q151-A194 HydrophobicContact CG-CB 4.25Å; Q151-C195 WeakPolarHBondContact CA-SG 3.39Å |
| 152 | K | 89.4 | Confident | 90.8 | Very high | 79 Ų | 79 | 32.9 Ų | 32.9 | 34% | 0.343 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -67.9 | -34.1 | -177.5 | -171.5 | 53 | 173.4 | 159.8 | 0 | 113 | T113 G148 A149 L150 C154 E155 D156 | T113-K152 HydrophobicContact CG2-CB 3.5Å; T113-K152 VanDerWaalsContact CG2-CB 3.5Å; T113-K152 HydrophobicContact CG2-CG 3.5Å; G148-K152 PolarHBondContact O-N 3.03Å; A149-K152 PolarHBondContact O-N 3.21Å; L150-K152 VanDerWaalsContact C-N 3.32Å; L150-K152 PolarHBondContact O-N 2.98Å; K152-C154 VanDerWaalsContact C-N 3.34Å; K152-E155 HydrophobicContact CD-CB 4.43Å; K152-E155 WeakPolarHBondContact CD-OE2 3.36Å; K152-E155 IonicContact NZ-OE2 3.73Å; K152-E155 PolarHBondContact NZ-OE2 3.34Å; K152-E155 PolarHBondContact O-N 3.08Å; K152-D156 VanDerWaalsContact CE-OD1 3.24Å; K152-D156 WeakPolarHBondContact CE-OD1 3.48Å; K152-D156 VanDerWaalsContact CE-OD2 3.27Å; K152-D156 WeakPolarHBondContact CE-OD2 3.42Å; K152-D156 IonicContact NZ-OD1 3.99Å; K152-D156 PolarHBondContact NZ-OD1 3.02Å; K152-D156 IonicContact NZ-OD2 2.65Å; K152-D156 WeakPolarHBondContact O-CB 3.41Å; K152-D156 PolarHBondContact O-N 3.34Å |
| 153 | I | 92.1 | Very high | 90.3 | Very high | 3 Ų | 3 | 33.3 Ų | 33.3 | 2% | 0.015 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -65.2 | -38.1 | 170.8 | -66 | 163.4 | 0 | 0 | 0 | 111.3 | I112 T113 L121 L127 L128 L131 A149 L150 Q151 E155 S157 L161 | I112-I153 HydrophobicContact CG2-CD1 4.43Å; T113-I153 HydrophobicContact CG2-CG1 4.14Å; L121-I153 HydrophobicContact CD2-CG2 4.22Å; L127-I153 HydrophobicContact CD2-CD1 3.99Å; L127-I153 HydrophobicContact CG-CD1 4.47Å; L128-I153 HydrophobicContact CD2-CD1 4.39Å; L128-I153 HydrophobicContact CD2-CG2 4.05Å; L131-I153 HydrophobicContact CD1-CD1 3.8Å; A149-I153 VanDerWaalsContact O-CG1 3.28Å; A149-I153 WeakPolarHBondContact O-CG1 3.19Å; A149-I153 PolarHBondContact O-N 3.11Å; L150-I153 PolarHBondContact O-N 3.04Å; Q151-I153 VanDerWaalsContact C-N 3.34Å; Q151-I153 PolarHBondContact O-N 2.91Å; I153-E155 VanDerWaalsContact C-N 3.35Å; I153-S157 WeakPolarHBondContact O-CB 3.49Å; I153-S157 PolarHBondContact O-N 2.96Å; I153-L161 HydrophobicContact CG2-CD1 4.39Å |
| 154 | C | 93.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.6 | -38.6 | 176.5 | -64 | 0 | 0 | 0 | 0 | 111.6 | L150 Q151 K152 S158 Q198 F199 | L150-C154 PolarHBondContact O-N 3.27Å; L150-C154 PolarHBondContact O-SG 3.2Å; Q151-C154 WeakPolarHBondContact O-CB 3.3Å; Q151-C154 PolarHBondContact O-N 2.99Å; K152-C154 VanDerWaalsContact C-N 3.34Å; C154-S158 WeakPolarHBondContact O-CA 3.26Å; C154-S158 WeakPolarHBondContact O-CB 3.29Å; C154-S158 PolarHBondContact O-N 3.07Å; C154-Q198 HydrophobicContact CB-CB 4.18Å; C154-Q198 HydrophobicContact CB-CG 3.85Å; C154-F199 HydrophobicContact CB-CE2 3.86Å; C154-F199 HydrophobicContact CB-CZ 3.7Å |
| 155 | E | 89.4 | Confident | 89.2 | Confident | 70 Ų | 70 | 41.4 Ų | 41.4 | 33% | 0.327 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66 | -48.7 | 174.9 | -70.3 | 168.6 | -166.6 | 0 | 0 | 112 | Q151 K152 I153 Q198 | Q151-E155 WeakPolarHBondContact CG-OE1 3.29Å; Q151-E155 PolarHBondContact NE2-OE1 3.09Å; Q151-E155 WeakPolarHBondContact O-CG 3.46Å; Q151-E155 PolarHBondContact O-N 2.72Å; K152-E155 HydrophobicContact CD-CB 4.43Å; K152-E155 WeakPolarHBondContact CD-OE2 3.36Å; K152-E155 IonicContact NZ-OE2 3.73Å; K152-E155 PolarHBondContact NZ-OE2 3.34Å; K152-E155 PolarHBondContact O-N 3.08Å; I153-E155 VanDerWaalsContact C-N 3.35Å; E155-Q198 HydrophobicContact CG-CG 4.25Å |
| 156 | D | 86 | Confident | 88.8 | Confident | 79 Ų | 79 | 42.6 Ų | 42.6 | 42% | 0.422 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -86.1 | -10.7 | -170.5 | -62.9 | -14.3 | 0 | 0 | 0 | 113.5 | K152 | K152-D156 VanDerWaalsContact CE-OD1 3.24Å; K152-D156 WeakPolarHBondContact CE-OD1 3.48Å; K152-D156 VanDerWaalsContact CE-OD2 3.27Å; K152-D156 WeakPolarHBondContact CE-OD2 3.42Å; K152-D156 IonicContact NZ-OD1 3.99Å; K152-D156 PolarHBondContact NZ-OD1 3.02Å; K152-D156 IonicContact NZ-OD2 2.65Å; K152-D156 WeakPolarHBondContact O-CB 3.41Å; K152-D156 PolarHBondContact O-N 3.34Å |
| 157 | S | 88.1 | Confident | 88.4 | Confident | 16 Ų | 16 | 49.5 Ų | 49.5 | 11% | 0.112 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -145.5 | 29.6 | -171.7 | -59.5 | 0 | 0 | 0 | 0 | 113.7 | I153 E159 L160 L161 | I153-S157 WeakPolarHBondContact O-CB 3.49Å; I153-S157 PolarHBondContact O-N 2.96Å; S157-E159 VanDerWaalsContact C-N 3.35Å; S157-E159 PolarHBondContact O-N 3.43Å; S157-L160 PolarHBondContact O-N 3.17Å; S157-L161 WeakPolarHBondContact O-CG 3.46Å; S157-L161 PolarHBondContact O-N 3.06Å |
| 158 | S | 87 | Confident | 88.1 | Confident | 41 Ų | 41 | 53.8 Ų | 53.8 | 29% | 0.287 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -51.2 | -48 | -177 | 57.3 | 0 | 0 | 0 | 0 | 113.4 | C154 L160 L161 | C154-S158 WeakPolarHBondContact O-CA 3.26Å; C154-S158 WeakPolarHBondContact O-CB 3.29Å; C154-S158 PolarHBondContact O-N 3.07Å; S158-L160 PolarHBondContact O-N 2.9Å; S158-L161 PolarHBondContact O-N 3.37Å |
| 159 | E | 84.7 | Confident | 88.2 | Confident | 173 Ų | 173 | 53.3 Ų | 53.3 | 81% | 0.808 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -63.2 | -42.1 | -179.1 | -62.7 | -177.1 | 174.6 | 0 | 0 | 113 | S157 L161 D162 | S157-E159 VanDerWaalsContact C-N 3.35Å; S157-E159 PolarHBondContact O-N 3.43Å; E159-L161 VanDerWaalsContact C-N 3.26Å; E159-L161 PolarHBondContact O-N 2.88Å; E159-D162 PolarHBondContact O-N 3.39Å |
| 160 | L | 86.3 | Confident | 88.3 | Confident | 64 Ų | 64 | 53.3 Ų | 53.3 | 34% | 0.335 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.1 | -32.6 | -179.7 | -78.3 | 165.9 | 0 | 0 | 0 | 111.8 | S157 S158 D162 S163 L166 | S157-L160 PolarHBondContact O-N 3.17Å; S158-L160 PolarHBondContact O-N 2.9Å; L160-D162 VanDerWaalsContact C-N 3.32Å; L160-D162 PolarHBondContact O-N 2.96Å; L160-S163 VanDerWaalsContact O-CB 3.31Å; L160-S163 WeakPolarHBondContact O-CB 3.19Å; L160-S163 PolarHBondContact O-N 2.7Å; L160-S163 VanDerWaalsContact O-N 3.13Å; L160-S163 PolarHBondContact O-OG 3.43Å; L160-L166 HydrophobicContact CB-CD1 4.29Å |
| 161 | L | 87.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.8 | -25 | -176.8 | -66.4 | 170.2 | 0 | 0 | 0 | 113.1 | L121 L128 I153 S157 S158 E159 P169 L170 M173 F199 | L121-L161 HydrophobicContact CD2-CD2 3.92Å; L128-L161 HydrophobicContact CD1-CD2 3.5Å; L128-L161 HydrophobicContact CD2-CD2 4.26Å; I153-L161 HydrophobicContact CG2-CD1 4.39Å; S157-L161 WeakPolarHBondContact O-CG 3.46Å; S157-L161 PolarHBondContact O-N 3.06Å; S158-L161 PolarHBondContact O-N 3.37Å; E159-L161 VanDerWaalsContact C-N 3.26Å; E159-L161 PolarHBondContact O-N 2.88Å; L161-P169 HydrophobicContact CB-CG 4.4Å; L161-P169 HydrophobicContact CD2-CG 3.9Å; L161-P169 WeakPolarHBondContact O-CD 3.3Å; L161-P169 VanDerWaalsContact O-CG 3.3Å; L161-P169 WeakPolarHBondContact O-CG 3.39Å; L161-L170 HydrophobicContact CB-CD1 4.04Å; L161-L170 HydrophobicContact CB-CD2 3.83Å; L161-L170 HydrophobicContact CB-CG 3.78Å; L161-L170 HydrophobicContact CD1-CD2 4.42Å; L161-L170 WeakPolarHBondContact O-CG 3.46Å; L161-M173 HydrophobicContact CD2-SD 4.47Å; L161-F199 HydrophobicContact CB-CE1 4.24Å; L161-F199 HydrophobicContact CD1-CE1 4.05Å; L161-F199 HydrophobicContact CD1-CZ 3.69Å |
| 162 | D | 84.5 | Confident | 88.3 | Confident | 42 Ų | 42 | 61 Ų | 61 | 23% | 0.225 | 32% | 0.324 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -2.5 | 172.1 | -152 | 22.3 | 0 | 0 | 0 | 113 | E159 L160 L170 A204 Q205 | E159-D162 PolarHBondContact O-N 3.39Å; L160-D162 VanDerWaalsContact C-N 3.32Å; L160-D162 PolarHBondContact O-N 2.96Å; D162-L170 HydrophobicContact CB-CD1 3.75Å; D162-A204 WeakPolarHBondContact OD2-CA 3.45Å; D162-Q205 PolarHBondContact OD2-N 3.03Å |
| 163 | S | 85.1 | Confident | 88.7 | Confident | 32 Ų | 32 | 57.4 Ų | 57.4 | 22% | 0.224 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -77.7 | 151.5 | -176.1 | 80.6 | 0 | 0 | 0 | 0 | 113.7 | L160 A165 L166 R168 | L160-S163 VanDerWaalsContact O-CB 3.31Å; L160-S163 WeakPolarHBondContact O-CB 3.19Å; L160-S163 PolarHBondContact O-N 2.7Å; L160-S163 VanDerWaalsContact O-N 3.13Å; L160-S163 PolarHBondContact O-OG 3.43Å; S163-A165 PolarHBondContact O-N 3.33Å; S163-A165 PolarHBondContact OG-N 2.86Å; S163-L166 PolarHBondContact O-N 3.3Å; S163-R168 PolarHBondContact O-N 3.22Å |
| 164 | D | 82.9 | Confident | 88.9 | Confident | 118 Ų | 118 | 57.3 Ų | 57.3 | 63% | 0.631 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -64.9 | -22.1 | 171.9 | -71.8 | -37.1 | 0 | 0 | 0 | 112.3 | L166 N167 R168 | D164-L166 PolarHBondContact O-N 2.73Å; D164-N167 PolarHBondContact O-N 2.93Å; D164-R168 IonicContact OD1-CZ 3.51Å; D164-R168 VanDerWaalsContact OD1-CZ 3.27Å; D164-R168 IonicContact OD1-NE 3.46Å; D164-R168 PolarHBondContact OD1-NE 3.47Å; D164-R168 IonicContact OD1-NH2 3.44Å; D164-R168 PolarHBondContact OD1-NH2 3.02Å; D164-R168 IonicContact OD2-NH2 2.9Å; D164-R168 PolarHBondContact OD2-NH2 3.45Å |
| 165 | A | 82.5 | Confident | 89.1 | Confident | 73 Ų | 73 | 59.2 Ų | 59.2 | 60% | 0.603 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -62.3 | -31.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113 | S163 | S163-A165 PolarHBondContact O-N 3.33Å; S163-A165 PolarHBondContact OG-N 2.86Å |
| 166 | L | 83.5 | Confident | 89.4 | Confident | 34 Ų | 34 | 57.9 Ų | 57.9 | 18% | 0.178 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -101.4 | 10.4 | 175.8 | -68.1 | 176.6 | 0 | 0 | 0 | 113 | L121 Q122 L160 S163 D164 R168 P169 | L121-L166 HydrophobicContact CB-CD1 4.4Å; L121-L166 HydrophobicContact CD2-CD1 3.6Å; L121-L166 HydrophobicContact CG-CD1 3.95Å; Q122-L166 HydrophobicContact CB-CD2 4.3Å; Q122-L166 HydrophobicContact CG-CD2 3.84Å; Q122-L166 HydrophobicContact CG-CG 4.49Å; L160-L166 HydrophobicContact CB-CD1 4.29Å; S163-L166 PolarHBondContact O-N 3.3Å; D164-L166 PolarHBondContact O-N 2.73Å; L166-R168 VanDerWaalsContact C-N 3.31Å; L166-R168 PolarHBondContact O-N 3.4Å; L166-P169 HydrophobicContact CB-CG 4.05Å; L166-P169 WeakPolarHBondContact O-CD 3.44Å |
| 167 | N | 87.8 | Confident | 89.9 | Confident | 145 Ų | 145 | 54.1 Ų | 54.1 | 78% | 0.775 | 29% | 0.293 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.8 | 40.8 | -173.9 | -169.7 | 50.2 | 0 | 0 | 0 | 112.6 | D164 | D164-N167 PolarHBondContact O-N 2.93Š|
| 168 | R | 88.6 | Confident | 90.4 | Very high | 89 Ų | 89 | 53.9 Ų | 53.9 | 34% | 0.336 | 29% | 0.291 | S | S | . | . | trans | 47.6 | 62.1 | 174.4 | -58 | -175.6 | -176.9 | -119.4 | -5.4 | 114.2 | S163 D164 L166 L170 N171 | S163-R168 PolarHBondContact O-N 3.22Å; D164-R168 IonicContact OD1-CZ 3.51Å; D164-R168 VanDerWaalsContact OD1-CZ 3.27Å; D164-R168 IonicContact OD1-NE 3.46Å; D164-R168 PolarHBondContact OD1-NE 3.47Å; D164-R168 IonicContact OD1-NH2 3.44Å; D164-R168 PolarHBondContact OD1-NH2 3.02Å; D164-R168 IonicContact OD2-NH2 2.9Å; D164-R168 PolarHBondContact OD2-NH2 3.45Å; L166-R168 VanDerWaalsContact C-N 3.31Å; L166-R168 PolarHBondContact O-N 3.4Å; R168-L170 PolarHBondContact O-N 2.7Å; R168-L170 VanDerWaalsContact O-N 3.11Å; R168-N171 WeakPolarHBondContact CB-ND2 3.45Å; R168-N171 WeakPolarHBondContact O-CB 3.42Å; R168-N171 PolarHBondContact O-N 2.88Å | ||
| 169 | P | 93 | Very high | 90.8 | Very high | 18 Ų | 18 | 57.7 Ų | 57.7 | 12% | 0.117 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -25.1 | -177.4 | 25.3 | -37.1 | 0 | 0 | 0 | 113.8 | L128 L161 L166 N171 I172 M173 | L128-P169 HydrophobicContact CD1-CB 3.81Å; L128-P169 HydrophobicContact CD1-CG 3.82Å; L161-P169 HydrophobicContact CB-CG 4.4Å; L161-P169 HydrophobicContact CD2-CG 3.9Å; L161-P169 WeakPolarHBondContact O-CD 3.3Å; L161-P169 VanDerWaalsContact O-CG 3.3Å; L161-P169 WeakPolarHBondContact O-CG 3.39Å; L166-P169 HydrophobicContact CB-CG 4.05Å; L166-P169 WeakPolarHBondContact O-CD 3.44Å; P169-N171 PolarHBondContact O-N 3.15Å; P169-I172 PolarHBondContact O-N 3.11Å; P169-M173 HydrophobicContact CB-SD 3.89Å; P169-M173 WeakPolarHBondContact O-CG 3.38Å; P169-M173 PolarHBondContact O-N 2.95Å; P169-M173 VanDerWaalsContact O-N 3.11Å |
| 170 | L | 94.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -58.4 | -29.1 | 178.2 | -66.9 | 179.4 | 0 | 0 | 0 | 114.2 | L161 D162 R168 I172 M173 I174 F199 A204 A206 | L161-L170 HydrophobicContact CB-CD1 4.04Å; L161-L170 HydrophobicContact CB-CD2 3.83Å; L161-L170 HydrophobicContact CB-CG 3.78Å; L161-L170 HydrophobicContact CD1-CD2 4.42Å; L161-L170 WeakPolarHBondContact O-CG 3.46Å; D162-L170 HydrophobicContact CB-CD1 3.75Å; R168-L170 PolarHBondContact O-N 2.7Å; R168-L170 VanDerWaalsContact O-N 3.11Å; L170-I172 PolarHBondContact O-N 2.85Å; L170-I172 VanDerWaalsContact O-N 3.07Å; L170-M173 HydrophobicContact CD2-SD 4.48Å; L170-M173 PolarHBondContact O-N 3.06Å; L170-I174 HydrophobicContact CB-CG1 4.25Å; L170-I174 HydrophobicContact CD2-CG1 4.34Å; L170-I174 WeakPolarHBondContact O-CB 3.25Å; L170-I174 PolarHBondContact O-N 3.22Å; L170-F199 HydrophobicContact CD1-CD1 3.59Å; L170-F199 HydrophobicContact CD1-CE1 3.65Å; L170-F199 HydrophobicContact CD1-CG 4.26Å; L170-F199 HydrophobicContact CD1-CZ 4.36Å; L170-F199 HydrophobicContact CD2-CD1 4.13Å; L170-F199 HydrophobicContact CD2-CD2 4.28Å; L170-F199 HydrophobicContact CD2-CE1 3.62Å; L170-F199 HydrophobicContact CD2-CE2 3.79Å; L170-F199 HydrophobicContact CD2-CG 4.44Å; L170-F199 HydrophobicContact CD2-CZ 3.45Å; L170-F199 VanDerWaalsContact CD2-CZ 3.45Å; L170-F199 HydrophobicContact CG-CE1 4.25Å; L170-A204 HydrophobicContact CD1-CB 4.04Å; L170-A206 HydrophobicContact CB-CB 3.81Å |
| 171 | N | 94.6 | Very high | 91.9 | Very high | 79 Ų | 79 | 47.5 Ų | 47.5 | 42% | 0.422 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -58.5 | -23.5 | 176.4 | -71 | -27.9 | 0 | 0 | 0 | 112.9 | R168 P169 A206 | R168-N171 WeakPolarHBondContact CB-ND2 3.45Å; R168-N171 WeakPolarHBondContact O-CB 3.42Å; R168-N171 PolarHBondContact O-N 2.88Å; P169-N171 PolarHBondContact O-N 3.15Å; N171-A206 WeakPolarHBondContact OD1-CB 3.41Å |
| 172 | I | 94.2 | Very high | 92.3 | Very high | 127 Ų | 127 | 55.8 Ų | 55.8 | 65% | 0.651 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -102.1 | -42.4 | 177.1 | -57.7 | 173.5 | 0 | 0 | 0 | 110.3 | P169 L170 K176 | P169-I172 PolarHBondContact O-N 3.11Å; L170-I172 PolarHBondContact O-N 2.85Å; L170-I172 VanDerWaalsContact O-N 3.07Å; I172-K176 WeakPolarHBondContact O-CB 3.27Å; I172-K176 PolarHBondContact O-N 3.02Å |
| 173 | M | 96.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.015 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.6 | -46.8 | -174 | -66 | 169.8 | 62.2 | 0 | 0 | 112.5 | L128 L150 L161 P169 L170 K176 F177 | L128-M173 HydrophobicContact CD1-SD 4.33Å; L128-M173 HydrophobicContact CD2-CE 4.43Å; L128-M173 HydrophobicContact CD2-SD 4.5Å; L150-M173 HydrophobicContact CD2-CE 4.03Å; L161-M173 HydrophobicContact CD2-SD 4.47Å; P169-M173 HydrophobicContact CB-SD 3.89Å; P169-M173 WeakPolarHBondContact O-CG 3.38Å; P169-M173 PolarHBondContact O-N 2.95Å; P169-M173 VanDerWaalsContact O-N 3.11Å; L170-M173 HydrophobicContact CD2-SD 4.48Å; L170-M173 PolarHBondContact O-N 3.06Å; M173-K176 WeakPolarHBondContact O-CA 3.31Å; M173-K176 WeakPolarHBondContact O-CB 3.41Å; M173-K176 PolarHBondContact O-N 3.08Å; M173-K176 VanDerWaalsContact O-N 3.1Å; M173-F177 HydrophobicContact CB-CE2 3.84Å; M173-F177 HydrophobicContact CB-CZ 3.86Å; M173-F177 HydrophobicContact CE-CE2 4.07Å; M173-F177 HydrophobicContact CE-CZ 3.69Å; M173-F177 HydrophobicContact CG-CZ 4.45Å; M173-F177 WeakPolarHBondContact O-CD2 3.38Å; M173-F177 WeakPolarHBondContact O-CG 3.18Å; M173-F177 PolarHBondContact O-N 3.3Å |
| 174 | I | 96.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.7 | -53.2 | -176 | -65.6 | -67.7 | 0 | 0 | 0 | 111.9 | L170 K176 F177 L178 V196 F199 A206 L207 | L170-I174 HydrophobicContact CB-CG1 4.25Å; L170-I174 HydrophobicContact CD2-CG1 4.34Å; L170-I174 WeakPolarHBondContact O-CB 3.25Å; L170-I174 PolarHBondContact O-N 3.22Å; I174-K176 PolarHBondContact O-N 3.19Å; I174-K176 VanDerWaalsContact O-N 3.15Å; I174-F177 HydrophobicContact CD1-CD2 4.41Å; I174-F177 PolarHBondContact O-N 3.17Å; I174-F177 VanDerWaalsContact O-N 3.16Å; I174-L178 HydrophobicContact CG2-CD1 4.37Å; I174-L178 WeakPolarHBondContact O-CG 3.47Å; I174-L178 PolarHBondContact O-N 3.12Å; I174-L178 VanDerWaalsContact O-N 3.13Å; I174-V196 HydrophobicContact CD1-CG2 4.28Å; I174-F199 HydrophobicContact CD1-CD2 3.63Å; I174-F199 HydrophobicContact CD1-CE2 4.21Å; I174-F199 HydrophobicContact CD1-CG 4.28Å; I174-A206 HydrophobicContact CB-CB 4.45Å; I174-A206 HydrophobicContact CG1-CB 4.23Å; I174-L207 HydrophobicContact CG2-CB 4.37Å; I174-L207 HydrophobicContact CG2-CD1 4.01Å |
| 175 | P | 96.7 | Very high | 93.9 | Very high | 40 Ų | 40 | 55.5 Ų | 55.5 | 26% | 0.26 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.3 | -31.1 | 175.6 | -24.9 | 34.7 | 0 | 0 | 0 | 112.9 | ||
| 176 | K | 96.3 | Very high | 94.5 | Very high | 42 Ų | 42 | 54 Ų | 54 | 18% | 0.183 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.6 | -46 | 177.7 | -170 | 59.9 | 174.1 | 169 | 0 | 111.5 | N136 I172 M173 I174 L178 Q179 F180 | N136-K176 WeakPolarHBondContact OD1-CE 3.38Å; N136-K176 PolarHBondContact OD1-NZ 3.24Å; I172-K176 WeakPolarHBondContact O-CB 3.27Å; I172-K176 PolarHBondContact O-N 3.02Å; M173-K176 WeakPolarHBondContact O-CA 3.31Å; M173-K176 WeakPolarHBondContact O-CB 3.41Å; M173-K176 PolarHBondContact O-N 3.08Å; M173-K176 VanDerWaalsContact O-N 3.1Å; I174-K176 PolarHBondContact O-N 3.19Å; I174-K176 VanDerWaalsContact O-N 3.15Å; K176-L178 VanDerWaalsContact C-N 3.34Å; K176-L178 PolarHBondContact O-N 3.19Å; K176-Q179 WeakPolarHBondContact O-CB 3.15Å; K176-Q179 PolarHBondContact O-N 3.33Å; K176-F180 HydrophobicContact CD-CE2 4.26Å; K176-F180 HydrophobicContact CG-CE2 4.24Å; K176-F180 VanDerWaalsContact O-CD2 3.26Å; K176-F180 WeakPolarHBondContact O-CD2 3.4Å |
| 177 | F | 97.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.1 | -42.8 | 177.7 | -59.8 | -26.9 | 0 | 0 | 0 | 112 | L135 F147 L150 M173 I174 Q179 F180 F181 C195 V196 | L135-F177 HydrophobicContact CD1-CD1 4.34Å; L135-F177 HydrophobicContact CD1-CE1 4.11Å; F147-F177 AromaticContact CE1-CD1 3.67Å; F147-F177 HydrophobicContact CE1-CD1 3.67Å; F147-F177 HydrophobicContact CE1-CE1 4.02Å; F147-F177 HydrophobicContact CE1-CG 4.43Å; F147-F177 HydrophobicContact CZ-CD1 4.04Å; L150-F177 HydrophobicContact CD1-CE1 3.99Å; L150-F177 HydrophobicContact CD1-CZ 4.34Å; M173-F177 HydrophobicContact CB-CE2 3.84Å; M173-F177 HydrophobicContact CB-CZ 3.86Å; M173-F177 HydrophobicContact CE-CE2 4.07Å; M173-F177 HydrophobicContact CE-CZ 3.69Å; M173-F177 HydrophobicContact CG-CZ 4.45Å; M173-F177 WeakPolarHBondContact O-CD2 3.38Å; M173-F177 WeakPolarHBondContact O-CG 3.18Å; M173-F177 PolarHBondContact O-N 3.3Å; I174-F177 HydrophobicContact CD1-CD2 4.41Å; I174-F177 PolarHBondContact O-N 3.17Å; I174-F177 VanDerWaalsContact O-N 3.16Å; F177-Q179 PolarHBondContact O-N 3.28Å; F177-Q179 VanDerWaalsContact O-N 3.11Å; F177-F180 WeakPolarHBondContact O-CB 3.49Å; F177-F180 PolarHBondContact O-N 2.95Å; F177-F181 WeakPolarHBondContact O-CD1 3.4Å; F177-C195 HydrophobicContact CD2-CB 3.7Å; F177-C195 HydrophobicContact CE2-CB 3.68Å; F177-C195 HydrophobicContact CG-CB 4.26Å; F177-C195 HydrophobicContact CZ-CB 4.24Å; F177-V196 HydrophobicContact CB-CG2 3.82Å; F177-V196 HydrophobicContact CD2-CG2 4.2Å |
| 178 | L | 97.1 | Very high | 95.5 | Very high | 11 Ų | 11 | 50 Ų | 50 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -57.3 | -28.9 | 177.9 | -66.2 | 177.2 | 0 | 0 | 0 | 113.2 | I174 K176 F180 F181 V196 N210 T213 F214 | I174-L178 HydrophobicContact CG2-CD1 4.37Å; I174-L178 WeakPolarHBondContact O-CG 3.47Å; I174-L178 PolarHBondContact O-N 3.12Å; I174-L178 VanDerWaalsContact O-N 3.13Å; K176-L178 VanDerWaalsContact C-N 3.34Å; K176-L178 PolarHBondContact O-N 3.19Å; L178-F180 VanDerWaalsContact C-N 3.28Å; L178-F180 PolarHBondContact O-N 3.18Å; L178-F181 HydrophobicContact CD2-CE1 4.04Å; L178-F181 HydrophobicContact CD2-CE2 4.23Å; L178-F181 HydrophobicContact CD2-CZ 3.88Å; L178-F181 WeakPolarHBondContact O-CB 3.38Å; L178-F181 PolarHBondContact O-N 2.95Å; L178-V196 HydrophobicContact CD2-CG2 4.37Å; L178-N210 HydrophobicContact CD1-CB 3.99Å; L178-T213 HydrophobicContact CD1-CG2 4.24Å; L178-F214 HydrophobicContact CD2-CB 3.94Å; L178-F214 HydrophobicContact CD2-CD2 3.65Å; L178-F214 HydrophobicContact CD2-CG 4.2Å |
| 179 | Q | 95.9 | Very high | 95.9 | Very high | 122 Ų | 122 | 47.3 Ų | 47.3 | 57% | 0.57 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -65.4 | -32.1 | 174.9 | -64.6 | 170.3 | 9.4 | 0 | 0 | 112.3 | K176 F177 F181 | K176-Q179 WeakPolarHBondContact O-CB 3.15Å; K176-Q179 PolarHBondContact O-N 3.33Å; F177-Q179 PolarHBondContact O-N 3.28Å; F177-Q179 VanDerWaalsContact O-N 3.11Å; Q179-F181 VanDerWaalsContact C-N 3.3Å; Q179-F181 PolarHBondContact O-N 3.05Å |
| 180 | F | 97.3 | Very high | 96.1 | Very high | 21 Ų | 21 | 46.8 Ų | 46.8 | 9% | 0.092 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -81.9 | -5.2 | -177.7 | -71.1 | -84.6 | 0 | 0 | 0 | 113.9 | L135 F147 K176 F177 L178 K182 H183 I188 A192 | L135-F180 HydrophobicContact CB-CE2 4Å; L135-F180 HydrophobicContact CB-CZ 3.76Å; L135-F180 HydrophobicContact CD1-CE2 4.17Å; L135-F180 VanDerWaalsContact O-CZ 3.29Å; L135-F180 WeakPolarHBondContact O-CZ 3.42Å; F147-F180 HydrophobicContact CE2-CB 3.95Å; F147-F180 AromaticContact CE2-CD1 3.87Å; F147-F180 HydrophobicContact CE2-CD1 3.87Å; F147-F180 AromaticContact CE2-CD2 3.88Å; F147-F180 HydrophobicContact CE2-CD2 3.88Å; F147-F180 HydrophobicContact CE2-CE1 4.34Å; F147-F180 HydrophobicContact CE2-CE2 4.36Å; F147-F180 AromaticContact CE2-CG 3.62Å; F147-F180 HydrophobicContact CE2-CG 3.62Å; F147-F180 HydrophobicContact CZ-CB 3.83Å; F147-F180 HydrophobicContact CZ-CD1 4.48Å; F147-F180 AromaticContact CZ-CD2 3.75Å; F147-F180 HydrophobicContact CZ-CD2 3.75Å; F147-F180 HydrophobicContact CZ-CE2 4.45Å; F147-F180 AromaticContact CZ-CG 3.77Å; F147-F180 HydrophobicContact CZ-CG 3.77Å; K176-F180 HydrophobicContact CD-CE2 4.26Å; K176-F180 HydrophobicContact CG-CE2 4.24Å; K176-F180 VanDerWaalsContact O-CD2 3.26Å; K176-F180 WeakPolarHBondContact O-CD2 3.4Å; F177-F180 WeakPolarHBondContact O-CB 3.49Å; F177-F180 PolarHBondContact O-N 2.95Å; L178-F180 VanDerWaalsContact C-N 3.28Å; L178-F180 PolarHBondContact O-N 3.18Å; F180-K182 PolarHBondContact O-N 2.87Å; F180-H183 HydrophobicContact CD1-CB 4.43Å; F180-H183 WeakPolarHBondContact O-CB 3.39Å; F180-H183 PolarHBondContact O-N 3.17Å; F180-I188 HydrophobicContact CB-CG2 4.05Å; F180-I188 HydrophobicContact CD1-CG2 3.77Å; F180-I188 HydrophobicContact CG-CG2 4.28Å; F180-A192 HydrophobicContact CB-CB 3.87Å |
| 181 | F | 97.4 | Very high | 96.1 | Very high | 2 Ų | 2 | 47.7 Ų | 47.7 | 1% | 0.009 | 24% | 0.243 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -25.8 | 172 | -79.1 | 43 | 0 | 0 | 0 | 111 | F177 L178 Q179 R189 A192 I193 V196 F214 L218 L221 | F177-F181 WeakPolarHBondContact O-CD1 3.4Å; L178-F181 HydrophobicContact CD2-CE1 4.04Å; L178-F181 HydrophobicContact CD2-CE2 4.23Å; L178-F181 HydrophobicContact CD2-CZ 3.88Å; L178-F181 WeakPolarHBondContact O-CB 3.38Å; L178-F181 PolarHBondContact O-N 2.95Å; Q179-F181 VanDerWaalsContact C-N 3.3Å; Q179-F181 PolarHBondContact O-N 3.05Å; F181-R189 WeakPolarHBondContact O-CD 3.32Å; F181-R189 WeakPolarHBondContact O-CG 3.3Å; F181-A192 HydrophobicContact CD1-CB 3.75Å; F181-A192 HydrophobicContact CE1-CB 3.81Å; F181-I193 HydrophobicContact CD1-CG1 4.41Å; F181-I193 HydrophobicContact CD2-CG1 4.07Å; F181-I193 HydrophobicContact CE1-CG1 4.04Å; F181-I193 HydrophobicContact CE2-CB 4.49Å; F181-I193 HydrophobicContact CE2-CG1 3.67Å; F181-I193 HydrophobicContact CG-CG1 4.44Å; F181-I193 HydrophobicContact CZ-CB 4.12Å; F181-I193 HydrophobicContact CZ-CG1 3.66Å; F181-I193 HydrophobicContact CZ-CG2 4.47Å; F181-V196 HydrophobicContact CE1-CG2 4.14Å; F181-V196 HydrophobicContact CZ-CB 4.4Å; F181-V196 HydrophobicContact CZ-CG2 4.17Å; F181-F214 AromaticContact CE2-CD2 3.78Å; F181-F214 HydrophobicContact CE2-CD2 3.78Å; F181-F214 AromaticContact CE2-CE2 3.7Å; F181-F214 HydrophobicContact CE2-CE2 3.7Å; F181-F214 AromaticContact CZ-CD2 3.91Å; F181-F214 HydrophobicContact CZ-CD2 3.91Å; F181-F214 AromaticContact CZ-CE2 3.69Å; F181-F214 HydrophobicContact CZ-CE2 3.69Å; F181-L218 HydrophobicContact CE2-CD2 4.07Å; F181-L221 HydrophobicContact CB-CD1 3.94Å; F181-L221 HydrophobicContact CD2-CD1 3.8Å; F181-L221 HydrophobicContact CG-CD1 4.12Å; F181-L221 WeakPolarHBondContact O-CD2 3.35Å |
| 182 | K | 95.4 | Very high | 96.3 | Very high | 174 Ų | 174 | 44 Ų | 44 | 76% | 0.757 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -95.2 | 10 | 177.7 | -61.5 | 178.1 | -176.1 | 173.8 | 0 | 113.3 | F180 | F180-K182 PolarHBondContact O-N 2.87Š|
| 183 | H | 95.9 | Very high | 96.5 | Very high | 54 Ų | 54 | 37.9 Ų | 37.9 | 25% | 0.25 | 19% | 0.192 | C | C | . | . | trans | -67.1 | 148.6 | -177 | -167.5 | -91.9 | 0 | 0 | 0 | 111.4 | F180 S185 I188 R189 | F180-H183 HydrophobicContact CD1-CB 4.43Å; F180-H183 WeakPolarHBondContact O-CB 3.39Å; F180-H183 PolarHBondContact O-N 3.17Å; H183-S185 VanDerWaalsContact C-N 3.35Å; H183-S185 PolarHBondContact ND1-N 2.98Å; H183-S185 PolarHBondContact O-N 2.65Å; H183-I188 HydrophobicContact CB-CB 4.37Å; H183-I188 HydrophobicContact CB-CG2 3.82Å; H183-I188 WeakPolarHBondContact CE1-CD1 3.19Å; H183-R189 HydrophobicContact CB-CG 4.35Å; H183-R189 WeakPolarHBondContact O-CD 3.23Å; H183-R189 WeakPolarHBondContact O-CG 3.39Å; H183-R189 PolarHBondContact O-NH1 3.45Å | ||
| 184 | C | 94.6 | Very high | 96.5 | Very high | 114 Ų | 114 | 37.9 Ų | 37.9 | 77% | 0.77 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -68.1 | -32.7 | -176.8 | 58.6 | 0 | 0 | 0 | 0 | 113.2 | R189 | C184-R189 PolarHBondContact O-NH1 2.69Š|
| 185 | S | 95.7 | Very high | 96.5 | Very high | 17 Ų | 17 | 37.9 Ų | 37.9 | 12% | 0.119 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -81.1 | 125.6 | 176.4 | 174.3 | 0 | 0 | 0 | 0 | 111.9 | Y140 H183 K187 I188 R189 | Y140-S185 WeakPolarHBondContact CE2-OG 3.47Å; Y140-S185 PolarHBondContact OH-OG 3.44Å; H183-S185 VanDerWaalsContact C-N 3.35Å; H183-S185 PolarHBondContact ND1-N 2.98Å; H183-S185 PolarHBondContact O-N 2.65Å; S185-K187 VanDerWaalsContact C-N 3.29Å; S185-K187 PolarHBondContact O-N 2.95Å; S185-K187 PolarHBondContact OG-N 3.46Å; S185-I188 PolarHBondContact O-N 3.27Å; S185-R189 PolarHBondContact O-N 2.88Å |
| 186 | P | 96.2 | Very high | 96.6 | Very high | 42 Ų | 42 | 36 Ų | 36 | 27% | 0.273 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.2 | -35.8 | 175.7 | 23.7 | -32 | 0 | 0 | 0 | 112.8 | I188 R189 S190 D226 V229 | P186-I188 VanDerWaalsContact C-N 3.31Å; P186-I188 PolarHBondContact O-N 2.71Å; P186-R189 WeakPolarHBondContact O-CB 3.27Å; P186-R189 PolarHBondContact O-N 3.49Å; P186-R189 VanDerWaalsContact O-N 3.12Å; P186-S190 PolarHBondContact O-N 3.4Å; P186-D226 HydrophobicContact CB-CB 3.52Å; P186-D226 VanDerWaalsContact CB-CG 3.48Å; P186-D226 HydrophobicContact CG-CB 4.37Å; P186-V229 HydrophobicContact CB-CG2 4.13Å; P186-V229 WeakPolarHBondContact O-CG2 3.44Å |
| 187 | K | 94.5 | Very high | 96.6 | Very high | 95 Ų | 95 | 34.2 Ų | 34.2 | 41% | 0.413 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.3 | -39.8 | 179.4 | -165.1 | 172.7 | -170.6 | -171.1 | 0 | 112.5 | E144 S185 S190 H191 | E144-K187 HydrophobicContact CG-CD 4.05Å; E144-K187 WeakPolarHBondContact OE1-CE 3.42Å; E144-K187 IonicContact OE1-NZ 3.52Å; E144-K187 PolarHBondContact OE1-NZ 2.9Å; S185-K187 VanDerWaalsContact C-N 3.29Å; S185-K187 PolarHBondContact O-N 2.95Å; S185-K187 PolarHBondContact OG-N 3.46Å; K187-S190 PolarHBondContact O-N 2.89Å; K187-H191 PolarHBondContact O-CD2 3.43Å; K187-H191 PolarHBondContact O-N 3.12Å |
| 188 | I | 96.1 | Very high | 96.5 | Very high | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -70.7 | -37.9 | 176.3 | -70.7 | 170.5 | 0 | 0 | 0 | 111 | Y140 C143 F147 F180 H183 S185 P186 H191 A192 | Y140-I188 HydrophobicContact CD2-CD1 3.86Å; Y140-I188 HydrophobicContact CE2-CD1 3.62Å; Y140-I188 HydrophobicContact CE2-CG1 4.22Å; C143-I188 HydrophobicContact CB-CD1 4.4Å; F147-I188 HydrophobicContact CD2-CG2 4Å; F147-I188 HydrophobicContact CE2-CG2 3.78Å; F180-I188 HydrophobicContact CB-CG2 4.05Å; F180-I188 HydrophobicContact CD1-CG2 3.77Å; F180-I188 HydrophobicContact CG-CG2 4.28Å; H183-I188 HydrophobicContact CB-CB 4.37Å; H183-I188 HydrophobicContact CB-CG2 3.82Å; H183-I188 WeakPolarHBondContact CE1-CD1 3.19Å; S185-I188 PolarHBondContact O-N 3.27Å; P186-I188 VanDerWaalsContact C-N 3.31Å; P186-I188 PolarHBondContact O-N 2.71Å; I188-H191 PolarHBondContact O-N 2.78Å; I188-A192 WeakPolarHBondContact O-CB 3.26Å; I188-A192 PolarHBondContact O-N 3.15Å |
| 189 | R | 97.4 | Very high | 96.5 | Very high | 31 Ų | 31 | 36.3 Ų | 36.3 | 12% | 0.117 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.5 | -46.8 | 173.5 | -64.3 | -164.4 | -65 | -81.7 | 4.4 | 111 | F181 H183 C184 S185 P186 A192 I193 D224 V229 | F181-R189 WeakPolarHBondContact O-CD 3.32Å; F181-R189 WeakPolarHBondContact O-CG 3.3Å; H183-R189 HydrophobicContact CB-CG 4.35Å; H183-R189 WeakPolarHBondContact O-CD 3.23Å; H183-R189 WeakPolarHBondContact O-CG 3.39Å; H183-R189 PolarHBondContact O-NH1 3.45Å; C184-R189 PolarHBondContact O-NH1 2.69Å; S185-R189 PolarHBondContact O-N 2.88Å; P186-R189 WeakPolarHBondContact O-CB 3.27Å; P186-R189 PolarHBondContact O-N 3.49Å; P186-R189 VanDerWaalsContact O-N 3.12Å; R189-A192 PolarHBondContact O-N 2.98Å; R189-I193 WeakPolarHBondContact O-CD1 3.45Å; R189-I193 VanDerWaalsContact O-CG1 3.29Å; R189-I193 WeakPolarHBondContact O-CG1 3.31Å; R189-I193 PolarHBondContact O-N 2.66Å; R189-D224 IonicContact CZ-OD2 2.82Å; R189-D224 IonicContact NE-OD2 2.73Å; R189-D224 PolarHBondContact NE-OD2 3.17Å; R189-D224 VanDerWaalsContact NH2-CG 3.25Å; R189-D224 IonicContact NH2-OD1 2.83Å; R189-D224 PolarHBondContact NH2-OD1 2.99Å; R189-D224 IonicContact NH2-OD2 2.85Å; R189-D224 PolarHBondContact NH2-OD2 3.04Å; R189-V229 HydrophobicContact CB-CG2 4Å |
| 190 | S | 96.8 | Very high | 96.5 | Very high | 7 Ų | 7 | 30.5 Ų | 30.5 | 5% | 0.049 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -56.4 | -54 | 175.9 | 159.8 | 0 | 0 | 0 | 0 | 111.8 | P186 K187 A192 I193 A194 E228 N232 | P186-S190 PolarHBondContact O-N 3.4Å; K187-S190 PolarHBondContact O-N 2.89Å; S190-A192 VanDerWaalsContact C-N 3.28Å; S190-A192 PolarHBondContact O-N 3.31Å; S190-I193 PolarHBondContact O-N 3.09Å; S190-I193 VanDerWaalsContact O-N 3.15Å; S190-A194 WeakPolarHBondContact O-CB 3.44Å; S190-A194 PolarHBondContact O-N 3.12Å; S190-E228 WeakPolarHBondContact OG-CG 3.24Å; S190-N232 PolarHBondContact OG-ND2 3.42Å |
| 191 | H | 96.1 | Very high | 96.3 | Very high | 20 Ų | 20 | 33.1 Ų | 33.1 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.6 | -42 | 177.3 | -73.9 | -51.7 | 0 | 0 | 0 | 112.7 | E144 F147 Q151 K187 I188 I193 A194 C195 | E144-H191 IonicContact OE1-NE2 3.25Å; F147-H191 HydrophobicContact CB-CB 3.71Å; F147-H191 HydrophobicContact CD1-CB 3.71Å; F147-H191 HydrophobicContact CG-CB 3.76Å; Q151-H191 PolarHBondContact OE1-CE1 3.11Å; Q151-H191 PolarHBondContact OE1-ND1 2.96Å; K187-H191 PolarHBondContact O-CD2 3.43Å; K187-H191 PolarHBondContact O-N 3.12Å; I188-H191 PolarHBondContact O-N 2.78Å; H191-I193 PolarHBondContact O-N 2.64Å; H191-A194 PolarHBondContact O-N 3.46Å; H191-C195 WeakPolarHBondContact O-CB 3.28Å; H191-C195 PolarHBondContact O-N 2.86Å; H191-C195 PolarHBondContact O-SG 3.21Å |
| 192 | A | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -62.4 | -43.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.2 | F147 F180 F181 I188 R189 S190 V196 | F147-A192 HydrophobicContact CE1-CB 4.02Å; F147-A192 HydrophobicContact CZ-CB 3.9Å; F180-A192 HydrophobicContact CB-CB 3.87Å; F181-A192 HydrophobicContact CD1-CB 3.75Å; F181-A192 HydrophobicContact CE1-CB 3.81Å; I188-A192 WeakPolarHBondContact O-CB 3.26Å; I188-A192 PolarHBondContact O-N 3.15Å; R189-A192 PolarHBondContact O-N 2.98Å; S190-A192 VanDerWaalsContact C-N 3.28Å; S190-A192 PolarHBondContact O-N 3.31Å; A192-V196 WeakPolarHBondContact O-CG2 3.34Å; A192-V196 PolarHBondContact O-N 2.94Å |
| 193 | I | 98 | Very high | 96 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.3 | -47.2 | 176.4 | -56.6 | 155.5 | 0 | 0 | 0 | 110.1 | F181 R189 S190 H191 C195 V196 N197 L218 L221 V229 N232 V233 A236 | F181-I193 HydrophobicContact CD1-CG1 4.41Å; F181-I193 HydrophobicContact CD2-CG1 4.07Å; F181-I193 HydrophobicContact CE1-CG1 4.04Å; F181-I193 HydrophobicContact CE2-CB 4.49Å; F181-I193 HydrophobicContact CE2-CG1 3.67Å; F181-I193 HydrophobicContact CG-CG1 4.44Å; F181-I193 HydrophobicContact CZ-CB 4.12Å; F181-I193 HydrophobicContact CZ-CG1 3.66Å; F181-I193 HydrophobicContact CZ-CG2 4.47Å; R189-I193 WeakPolarHBondContact O-CD1 3.45Å; R189-I193 VanDerWaalsContact O-CG1 3.29Å; R189-I193 WeakPolarHBondContact O-CG1 3.31Å; R189-I193 PolarHBondContact O-N 2.66Å; S190-I193 PolarHBondContact O-N 3.09Å; S190-I193 VanDerWaalsContact O-N 3.15Å; H191-I193 PolarHBondContact O-N 2.64Å; I193-C195 VanDerWaalsContact C-N 3.29Å; I193-C195 PolarHBondContact O-N 2.94Å; I193-V196 PolarHBondContact O-N 2.9Å; I193-N197 WeakPolarHBondContact O-CB 3.27Å; I193-N197 VanDerWaalsContact O-CG 3.26Å; I193-N197 PolarHBondContact O-N 2.86Å; I193-N197 PolarHBondContact O-OD1 3.45Å; I193-L218 HydrophobicContact CG2-CD2 4.25Å; I193-L221 HydrophobicContact CD1-CD1 3.83Å; I193-L221 HydrophobicContact CG1-CD1 4.31Å; I193-V229 HydrophobicContact CD1-CG1 3.86Å; I193-N232 HydrophobicContact CB-CB 3.95Å; I193-N232 HydrophobicContact CD1-CB 4.36Å; I193-N232 HydrophobicContact CG2-CB 3.69Å; I193-V233 HydrophobicContact CD1-CG2 3.95Å; I193-A236 HydrophobicContact CG2-CB 4.44Å |
| 194 | A | 96.6 | Very high | 95.9 | Very high | 3 Ų | 3 | 32.5 Ų | 32.5 | 3% | 0.025 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.2 | -39.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q151 S190 H191 Q198 | Q151-A194 HydrophobicContact CG-CB 4.25Å; S190-A194 WeakPolarHBondContact O-CB 3.44Å; S190-A194 PolarHBondContact O-N 3.12Å; H191-A194 PolarHBondContact O-N 3.46Å; A194-Q198 PolarHBondContact O-NE2 2.78Å |
| 195 | C | 97.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.1 | -48.6 | 172 | -75.3 | 0 | 0 | 0 | 0 | 112 | Q151 F177 H191 I193 N197 Q198 F199 | Q151-C195 WeakPolarHBondContact CA-SG 3.39Å; F177-C195 HydrophobicContact CD2-CB 3.7Å; F177-C195 HydrophobicContact CE2-CB 3.68Å; F177-C195 HydrophobicContact CG-CB 4.26Å; F177-C195 HydrophobicContact CZ-CB 4.24Å; H191-C195 WeakPolarHBondContact O-CB 3.28Å; H191-C195 PolarHBondContact O-N 2.86Å; H191-C195 PolarHBondContact O-SG 3.21Å; I193-C195 VanDerWaalsContact C-N 3.29Å; I193-C195 PolarHBondContact O-N 2.94Å; C195-N197 VanDerWaalsContact C-N 3.31Å; C195-N197 PolarHBondContact O-N 3.39Å; C195-Q198 PolarHBondContact O-N 3.37Å; C195-F199 WeakPolarHBondContact O-CD2 3.41Å; C195-F199 WeakPolarHBondContact O-CE2 3.12Å |
| 196 | V | 97.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.4 | -36.2 | -178.3 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | I174 F177 L178 F181 A192 I193 Q198 F199 L207 F214 | I174-V196 HydrophobicContact CD1-CG2 4.28Å; F177-V196 HydrophobicContact CB-CG2 3.82Å; F177-V196 HydrophobicContact CD2-CG2 4.2Å; L178-V196 HydrophobicContact CD2-CG2 4.37Å; F181-V196 HydrophobicContact CE1-CG2 4.14Å; F181-V196 HydrophobicContact CZ-CB 4.4Å; F181-V196 HydrophobicContact CZ-CG2 4.17Å; A192-V196 WeakPolarHBondContact O-CG2 3.34Å; A192-V196 PolarHBondContact O-N 2.94Å; I193-V196 PolarHBondContact O-N 2.9Å; V196-Q198 PolarHBondContact O-N 2.86Å; V196-F199 PolarHBondContact O-N 3.42Å; V196-L207 HydrophobicContact CG1-CD1 3.62Å; V196-L207 HydrophobicContact CG1-CD2 4.04Å; V196-L207 HydrophobicContact CG1-CG 4.48Å; V196-F214 HydrophobicContact CB-CE2 4.22Å; V196-F214 HydrophobicContact CG1-CD1 4.38Å; V196-F214 HydrophobicContact CG1-CD2 3.88Å; V196-F214 HydrophobicContact CG1-CE1 4.11Å; V196-F214 HydrophobicContact CG1-CE2 3.56Å; V196-F214 HydrophobicContact CG1-CG 4.27Å; V196-F214 HydrophobicContact CG1-CZ 3.67Å |
| 197 | N | 97 | Very high | 95.8 | Very high | 4 Ų | 4 | 28.9 Ų | 28.9 | 2% | 0.021 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -55.1 | -34.7 | 179.5 | -81.2 | 3.2 | 0 | 0 | 0 | 113.3 | I193 C195 F199 I200 N232 A236 M239 | I193-N197 WeakPolarHBondContact O-CB 3.27Å; I193-N197 VanDerWaalsContact O-CG 3.26Å; I193-N197 PolarHBondContact O-N 2.86Å; I193-N197 PolarHBondContact O-OD1 3.45Å; C195-N197 VanDerWaalsContact C-N 3.31Å; C195-N197 PolarHBondContact O-N 3.39Å; N197-F199 PolarHBondContact O-N 3.08Å; N197-I200 PolarHBondContact O-N 2.95Å; N197-N232 PolarHBondContact ND2-O 3.13Å; N197-N232 VanDerWaalsContact ND2-O 3.1Å; N197-A236 WeakPolarHBondContact OD1-CB 3.3Å; N197-M239 HydrophobicContact CB-CE 3.4Å; N197-M239 VanDerWaalsContact CB-CE 3.4Å; N197-M239 VanDerWaalsContact CG-CE 3.42Å |
| 198 | Q | 96.2 | Very high | 95.8 | Very high | 50 Ų | 50 | 25.6 Ų | 25.6 | 23% | 0.234 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -16.7 | 178.7 | -56.6 | -52.4 | -46.2 | 0 | 0 | 114 | C154 E155 A194 C195 V196 | C154-Q198 HydrophobicContact CB-CB 4.18Å; C154-Q198 HydrophobicContact CB-CG 3.85Å; E155-Q198 HydrophobicContact CG-CG 4.25Å; A194-Q198 PolarHBondContact O-NE2 2.78Å; C195-Q198 PolarHBondContact O-N 3.37Å; V196-Q198 PolarHBondContact O-N 2.86Å |
| 199 | F | 96.4 | Very high | 95.8 | Very high | 6 Ų | 6 | 30.8 Ų | 30.8 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -113.4 | 4.3 | -171.5 | -54.4 | -70.8 | 0 | 0 | 0 | 113.7 | C154 L161 L170 I174 C195 V196 N197 A204 L207 | C154-F199 HydrophobicContact CB-CE2 3.86Å; C154-F199 HydrophobicContact CB-CZ 3.7Å; L161-F199 HydrophobicContact CB-CE1 4.24Å; L161-F199 HydrophobicContact CD1-CE1 4.05Å; L161-F199 HydrophobicContact CD1-CZ 3.69Å; L170-F199 HydrophobicContact CD1-CD1 3.59Å; L170-F199 HydrophobicContact CD1-CE1 3.65Å; L170-F199 HydrophobicContact CD1-CG 4.26Å; L170-F199 HydrophobicContact CD1-CZ 4.36Å; L170-F199 HydrophobicContact CD2-CD1 4.13Å; L170-F199 HydrophobicContact CD2-CD2 4.28Å; L170-F199 HydrophobicContact CD2-CE1 3.62Å; L170-F199 HydrophobicContact CD2-CE2 3.79Å; L170-F199 HydrophobicContact CD2-CG 4.44Å; L170-F199 HydrophobicContact CD2-CZ 3.45Å; L170-F199 VanDerWaalsContact CD2-CZ 3.45Å; L170-F199 HydrophobicContact CG-CE1 4.25Å; I174-F199 HydrophobicContact CD1-CD2 3.63Å; I174-F199 HydrophobicContact CD1-CE2 4.21Å; I174-F199 HydrophobicContact CD1-CG 4.28Å; C195-F199 WeakPolarHBondContact O-CD2 3.41Å; C195-F199 WeakPolarHBondContact O-CE2 3.12Å; V196-F199 PolarHBondContact O-N 3.42Å; N197-F199 PolarHBondContact O-N 3.08Å; F199-A204 HydrophobicContact CB-CB 3.82Å; F199-A204 HydrophobicContact CD1-CB 4.37Å; F199-A204 HydrophobicContact CG-CB 4.46Å; F199-A204 PolarHBondContact O-N 2.85Å; F199-L207 HydrophobicContact CB-CD2 4.2Å |
| 200 | I | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -58.5 | -178.6 | -60.3 | 174.6 | 0 | 0 | 0 | 110.4 | N197 G202 R203 L207 F214 A236 M239 L240 V243 | N197-I200 PolarHBondContact O-N 2.95Å; I200-G202 PolarHBondContact O-N 3.03Å; I200-R203 WeakPolarHBondContact O-CA 3.39Å; I200-R203 PolarHBondContact O-N 2.75Å; I200-L207 HydrophobicContact CB-CD2 4.44Å; I200-L207 HydrophobicContact CG1-CD2 3.76Å; I200-F214 HydrophobicContact CD1-CE1 3.71Å; I200-F214 HydrophobicContact CD1-CZ 3.85Å; I200-F214 HydrophobicContact CG1-CE1 4.1Å; I200-A236 HydrophobicContact CD1-CB 4.27Å; I200-M239 HydrophobicContact CB-CB 3.95Å; I200-M239 HydrophobicContact CB-SD 4.46Å; I200-M239 HydrophobicContact CD1-CB 4.03Å; I200-M239 HydrophobicContact CD1-CE 3.9Å; I200-M239 HydrophobicContact CD1-SD 4.46Å; I200-M239 HydrophobicContact CG2-CB 3.59Å; I200-L240 HydrophobicContact CD1-CG 4.42Å; I200-L240 HydrophobicContact CG2-CD2 4.05Å; I200-L240 HydrophobicContact CG2-CG 4.23Å; I200-V243 HydrophobicContact CG2-CG2 3.55Å |
| 201 | I | 93.8 | Very high | 95.8 | Very high | 75 Ų | 75 | 31.4 Ų | 31.4 | 39% | 0.385 | 17% | 0.167 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -44.1 | -176.1 | -59.5 | -56.1 | 0 | 0 | 0 | 111.7 | R203 M239 E242 V243 | I201-R203 WeakPolarHBondContact O-CG 3.47Å; I201-R203 PolarHBondContact O-N 2.62Å; I201-M239 HydrophobicContact CD1-CB 3.8Å; I201-M239 HydrophobicContact CD1-CG 3.93Å; I201-M239 HydrophobicContact CG1-CB 4.31Å; I201-M239 HydrophobicContact CG1-CG 4.09Å; I201-M239 HydrophobicContact CG1-SD 4.19Å; I201-E242 HydrophobicContact CD1-CB 4.47Å; I201-E242 WeakPolarHBondContact CD1-OE2 3.44Å; I201-V243 HydrophobicContact CD1-CG1 4.14Å |
| 202 | G | 91.5 | Very high | 95.7 | Very high | 67 Ų | 67 | 34.1 Ų | 34.1 | 69% | 0.691 | 18% | 0.182 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -1.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | I200 A204 | I200-G202 PolarHBondContact O-N 3.03Å; G202-A204 PolarHBondContact O-N 2.98Å |
| 203 | R | 94.1 | Very high | 95.6 | Very high | 148 Ų | 148 | 37.4 Ų | 37.4 | 56% | 0.558 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 41.9 | 179.8 | -54.6 | -178.2 | -175.9 | -169.8 | -1.5 | 113.8 | I200 I201 Q205 M208 V243 | I200-R203 WeakPolarHBondContact O-CA 3.39Å; I200-R203 PolarHBondContact O-N 2.75Å; I201-R203 WeakPolarHBondContact O-CG 3.47Å; I201-R203 PolarHBondContact O-N 2.62Å; R203-Q205 PolarHBondContact O-N 2.9Å; R203-M208 HydrophobicContact CB-CE 4.01Å; R203-M208 HydrophobicContact CB-CG 4.4Å; R203-M208 HydrophobicContact CG-CE 4.23Å; R203-V243 HydrophobicContact CG-CB 4.22Å; R203-V243 HydrophobicContact CG-CG1 4.19Å |
| 204 | A | 93.6 | Very high | 95.6 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 3% | 0.025 | 20% | 0.202 | C | C | . | . | trans | -54.5 | 132.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | D162 L170 F199 G202 A206 L207 M208 | D162-A204 WeakPolarHBondContact OD2-CA 3.45Å; L170-A204 HydrophobicContact CD1-CB 4.04Å; F199-A204 HydrophobicContact CB-CB 3.82Å; F199-A204 HydrophobicContact CD1-CB 4.37Å; F199-A204 HydrophobicContact CG-CB 4.46Å; F199-A204 PolarHBondContact O-N 2.85Å; G202-A204 PolarHBondContact O-N 2.98Å; A204-A206 VanDerWaalsContact C-N 3.27Å; A204-A206 PolarHBondContact O-N 3.44Å; A204-L207 PolarHBondContact O-N 3.16Å; A204-M208 PolarHBondContact O-N 3.34Å | ||
| 205 | Q | 92.9 | Very high | 95.6 | Very high | 95 Ų | 95 | 37.6 Ų | 37.6 | 44% | 0.444 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.8 | -40.4 | -168.8 | -174 | 62.7 | 46 | 0 | 0 | 111.8 | D162 R203 L207 M208 D209 | D162-Q205 PolarHBondContact OD2-N 3.03Å; R203-Q205 PolarHBondContact O-N 2.9Å; Q205-L207 VanDerWaalsContact C-N 3.26Å; Q205-L207 PolarHBondContact O-N 3.36Å; Q205-M208 PolarHBondContact O-N 3.24Å; Q205-M208 VanDerWaalsContact O-N 3.13Å; Q205-D209 PolarHBondContact NE2-OD1 2.7Å; Q205-D209 VanDerWaalsContact O-CG 3.29Å; Q205-D209 PolarHBondContact O-N 2.7Å |
| 206 | A | 95.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.4 | -36.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | L170 N171 I174 A204 N210 | L170-A206 HydrophobicContact CB-CB 3.81Å; N171-A206 WeakPolarHBondContact OD1-CB 3.41Å; I174-A206 HydrophobicContact CB-CB 4.45Å; I174-A206 HydrophobicContact CG1-CB 4.23Å; A204-A206 VanDerWaalsContact C-N 3.27Å; A204-A206 PolarHBondContact O-N 3.44Å; A206-N210 PolarHBondContact O-ND2 2.97Å |
| 207 | L | 96.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -75.7 | -41.4 | 175.7 | 179.6 | 57.7 | 0 | 0 | 0 | 111.2 | I174 V196 F199 I200 A204 Q205 D209 N210 I211 F214 | I174-L207 HydrophobicContact CG2-CB 4.37Å; I174-L207 HydrophobicContact CG2-CD1 4.01Å; V196-L207 HydrophobicContact CG1-CD1 3.62Å; V196-L207 HydrophobicContact CG1-CD2 4.04Å; V196-L207 HydrophobicContact CG1-CG 4.48Å; F199-L207 HydrophobicContact CB-CD2 4.2Å; I200-L207 HydrophobicContact CB-CD2 4.44Å; I200-L207 HydrophobicContact CG1-CD2 3.76Å; A204-L207 PolarHBondContact O-N 3.16Å; Q205-L207 VanDerWaalsContact C-N 3.26Å; Q205-L207 PolarHBondContact O-N 3.36Å; L207-D209 VanDerWaalsContact C-N 3.25Å; L207-D209 PolarHBondContact O-N 2.89Å; L207-N210 CarbonylContact O-C 3.13Å; L207-N210 VanDerWaalsContact O-C 3.3Å; L207-N210 WeakPolarHBondContact O-CA 3.33Å; L207-N210 PolarHBondContact O-N 3.04Å; L207-I211 WeakPolarHBondContact O-CA 3.15Å; L207-I211 PolarHBondContact O-N 2.96Å; L207-F214 HydrophobicContact CD1-CB 4.24Å; L207-F214 HydrophobicContact CD1-CD1 3.98Å; L207-F214 HydrophobicContact CD1-CG 4.15Å |
| 208 | M | 95.5 | Very high | 95.4 | Very high | 27 Ų | 27 | 44.5 Ų | 44.5 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61.3 | -35.2 | 178.5 | -66.7 | -58.4 | 142.8 | 0 | 0 | 112.6 | R203 A204 Q205 N210 I211 R244 | R203-M208 HydrophobicContact CB-CE 4.01Å; R203-M208 HydrophobicContact CB-CG 4.4Å; R203-M208 HydrophobicContact CG-CE 4.23Å; A204-M208 PolarHBondContact O-N 3.34Å; Q205-M208 PolarHBondContact O-N 3.24Å; Q205-M208 VanDerWaalsContact O-N 3.13Å; M208-N210 VanDerWaalsContact C-N 3.25Å; M208-N210 PolarHBondContact O-N 3.38Å; M208-I211 WeakPolarHBondContact O-CG2 3.49Å; M208-R244 HydrophobicContact CE-CG 4.15Å; M208-R244 HydrophobicContact SD-CG 3.94Å; M208-R244 PolarHBondContact SD-NH1 3.2Å |
| 209 | D | 95.8 | Very high | 95.3 | Very high | 110 Ų | 110 | 45.4 Ų | 45.4 | 59% | 0.588 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -22.8 | 173.9 | -68.1 | -16.7 | 0 | 0 | 0 | 113 | Q205 L207 | Q205-D209 PolarHBondContact NE2-OD1 2.7Å; Q205-D209 VanDerWaalsContact O-CG 3.29Å; Q205-D209 PolarHBondContact O-N 2.7Å; L207-D209 VanDerWaalsContact C-N 3.25Å; L207-D209 PolarHBondContact O-N 2.89Å |
| 210 | N | 96.8 | Very high | 95.2 | Very high | 46 Ų | 46 | 48.6 Ų | 48.6 | 25% | 0.246 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.1 | 13.6 | -178.4 | -68.8 | -84.1 | 0 | 0 | 0 | 113.4 | L178 A206 L207 M208 D212 T213 F214 | L178-N210 HydrophobicContact CD1-CB 3.99Å; A206-N210 PolarHBondContact O-ND2 2.97Å; L207-N210 CarbonylContact O-C 3.13Å; L207-N210 VanDerWaalsContact O-C 3.3Å; L207-N210 WeakPolarHBondContact O-CA 3.33Å; L207-N210 PolarHBondContact O-N 3.04Å; M208-N210 VanDerWaalsContact C-N 3.25Å; M208-N210 PolarHBondContact O-N 3.38Å; N210-D212 VanDerWaalsContact C-N 3.33Å; N210-D212 PolarHBondContact O-N 3.08Å; N210-T213 PolarHBondContact O-N 3.26Å; N210-T213 VanDerWaalsContact O-N 3.14Å; N210-F214 PolarHBondContact O-N 3.15Å |
| 211 | I | 96.4 | Very high | 95.2 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.3 | -39.5 | -168.6 | -164.8 | 58.9 | 0 | 0 | 0 | 113.4 | L207 M208 F214 I215 L240 | L207-I211 WeakPolarHBondContact O-CA 3.15Å; L207-I211 PolarHBondContact O-N 2.96Å; M208-I211 WeakPolarHBondContact O-CG2 3.49Å; I211-F214 HydrophobicContact CD1-CD1 4.17Å; I211-F214 WeakPolarHBondContact O-CB 3.38Å; I211-F214 PolarHBondContact O-N 3.12Å; I211-I215 HydrophobicContact CG1-CD1 4.11Å; I211-I215 WeakPolarHBondContact O-CG1 3.12Å; I211-I215 PolarHBondContact O-N 3.01Å; I211-L240 HydrophobicContact CD1-CD2 3.57Å |
| 212 | D | 94.9 | Very high | 95.1 | Very high | 76 Ų | 76 | 46.7 Ų | 46.7 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -67.5 | -41 | -178.8 | -67.5 | -33.7 | 0 | 0 | 0 | 110.7 | N210 F214 I215 E216 R247 | N210-D212 VanDerWaalsContact C-N 3.33Å; N210-D212 PolarHBondContact O-N 3.08Å; D212-F214 VanDerWaalsContact C-N 3.3Å; D212-F214 PolarHBondContact O-N 3.14Å; D212-I215 PolarHBondContact O-N 3.25Å; D212-E216 WeakPolarHBondContact O-CB 3.43Å; D212-E216 WeakPolarHBondContact O-CG 3.29Å; D212-E216 PolarHBondContact O-N 2.91Å; D212-R247 IonicContact OD1-CZ 2.75Å; D212-R247 IonicContact OD1-NH1 2.82Å; D212-R247 PolarHBondContact OD1-NH1 3.06Å; D212-R247 IonicContact OD2-CZ 3.81Å; D212-R247 IonicContact OD2-NH1 2.74Å; D212-R247 PolarHBondContact OD2-NH1 3.18Å |
| 213 | T | 96.6 | Very high | 95 | Very high | 69 Ų | 69 | 46.9 Ų | 46.9 | 42% | 0.423 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.6 | -37.6 | 175.6 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | L178 N210 S217 | L178-T213 HydrophobicContact CD1-CG2 4.24Å; N210-T213 PolarHBondContact O-N 3.26Å; N210-T213 VanDerWaalsContact O-N 3.14Å; T213-S217 WeakPolarHBondContact O-CB 3.26Å; T213-S217 PolarHBondContact O-N 2.98Å; T213-S217 PolarHBondContact O-OG 3.06Å |
| 214 | F | 97.6 | Very high | 95.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64 | -50.6 | 177.1 | 176.2 | -134.2 | 0 | 0 | 0 | 111.3 | L178 F181 V196 I200 L207 N210 I211 D212 E216 S217 L218 A236 L240 | L178-F214 HydrophobicContact CD2-CB 3.94Å; L178-F214 HydrophobicContact CD2-CD2 3.65Å; L178-F214 HydrophobicContact CD2-CG 4.2Å; F181-F214 AromaticContact CE2-CD2 3.78Å; F181-F214 HydrophobicContact CE2-CD2 3.78Å; F181-F214 AromaticContact CE2-CE2 3.7Å; F181-F214 HydrophobicContact CE2-CE2 3.7Å; F181-F214 AromaticContact CZ-CD2 3.91Å; F181-F214 HydrophobicContact CZ-CD2 3.91Å; F181-F214 AromaticContact CZ-CE2 3.69Å; F181-F214 HydrophobicContact CZ-CE2 3.69Å; V196-F214 HydrophobicContact CB-CE2 4.22Å; V196-F214 HydrophobicContact CG1-CD1 4.38Å; V196-F214 HydrophobicContact CG1-CD2 3.88Å; V196-F214 HydrophobicContact CG1-CE1 4.11Å; V196-F214 HydrophobicContact CG1-CE2 3.56Å; V196-F214 HydrophobicContact CG1-CG 4.27Å; V196-F214 HydrophobicContact CG1-CZ 3.67Å; I200-F214 HydrophobicContact CD1-CE1 3.71Å; I200-F214 HydrophobicContact CD1-CZ 3.85Å; I200-F214 HydrophobicContact CG1-CE1 4.1Å; L207-F214 HydrophobicContact CD1-CB 4.24Å; L207-F214 HydrophobicContact CD1-CD1 3.98Å; L207-F214 HydrophobicContact CD1-CG 4.15Å; N210-F214 PolarHBondContact O-N 3.15Å; I211-F214 HydrophobicContact CD1-CD1 4.17Å; I211-F214 WeakPolarHBondContact O-CB 3.38Å; I211-F214 PolarHBondContact O-N 3.12Å; D212-F214 VanDerWaalsContact C-N 3.3Å; D212-F214 PolarHBondContact O-N 3.14Å; F214-E216 PolarHBondContact O-N 3.11Å; F214-S217 PolarHBondContact O-N 3.42Å; F214-S217 VanDerWaalsContact O-N 3.12Å; F214-L218 HydrophobicContact CD1-CD1 4.34Å; F214-L218 HydrophobicContact CD2-CD1 4.27Å; F214-L218 HydrophobicContact CD2-CG 4.07Å; F214-L218 HydrophobicContact CE1-CD1 3.93Å; F214-L218 HydrophobicContact CE2-CD1 3.84Å; F214-L218 HydrophobicContact CE2-CD2 3.79Å; F214-L218 HydrophobicContact CE2-CG 3.76Å; F214-L218 HydrophobicContact CZ-CD1 3.68Å; F214-L218 HydrophobicContact CZ-CD2 4.18Å; F214-L218 HydrophobicContact CZ-CG 4.12Å; F214-L218 WeakPolarHBondContact O-CG 3.05Å; F214-L218 PolarHBondContact O-N 3.03Å; F214-A236 HydrophobicContact CZ-CB 3.99Å; F214-L240 HydrophobicContact CD1-CD1 4.15Å; F214-L240 HydrophobicContact CD1-CD2 4.4Å; F214-L240 HydrophobicContact CE1-CD1 3.8Å; F214-L240 HydrophobicContact CE1-CD2 4.22Å; F214-L240 HydrophobicContact CE1-CG 4.17Å |
| 215 | I | 95.3 | Very high | 95.2 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 4% | 0.041 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 178.7 | -68.3 | 168.8 | 0 | 0 | 0 | 111.3 | I211 D212 S217 L218 F219 L240 R247 L248 | I211-I215 HydrophobicContact CG1-CD1 4.11Å; I211-I215 WeakPolarHBondContact O-CG1 3.12Å; I211-I215 PolarHBondContact O-N 3.01Å; D212-I215 PolarHBondContact O-N 3.25Å; I215-S217 VanDerWaalsContact C-N 3.25Å; I215-S217 PolarHBondContact O-N 3.39Å; I215-L218 PolarHBondContact O-N 2.89Å; I215-F219 HydrophobicContact CG2-CD2 3.97Å; I215-F219 HydrophobicContact CG2-CE1 4.4Å; I215-F219 HydrophobicContact CG2-CE2 3.37Å; I215-F219 HydrophobicContact CG2-CZ 3.62Å; I215-F219 WeakPolarHBondContact O-CG 3.36Å; I215-F219 PolarHBondContact O-N 3.15Å; I215-L240 HydrophobicContact CG1-CD1 3.99Å; I215-R247 HydrophobicContact CD1-CB 3.54Å; I215-R247 HydrophobicContact CD1-CG 4.37Å; I215-L248 HydrophobicContact CD1-CD2 4.16Å; I215-L248 HydrophobicContact CG1-CD2 4.45Å |
| 216 | E | 95.1 | Very high | 95.4 | Very high | 138 Ų | 138 | 47.3 Ų | 47.3 | 65% | 0.645 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -58.2 | -39.3 | 175.8 | -74.8 | 179.9 | -176.3 | 0 | 0 | 112.2 | D212 F214 A220 | D212-E216 WeakPolarHBondContact O-CB 3.43Å; D212-E216 WeakPolarHBondContact O-CG 3.29Å; D212-E216 PolarHBondContact O-N 2.91Å; F214-E216 PolarHBondContact O-N 3.11Å; E216-A220 PolarHBondContact O-N 3.44Å; E216-A220 VanDerWaalsContact O-N 3.13Å |
| 217 | S | 96.5 | Very high | 95.5 | Very high | 10 Ų | 10 | 49 Ų | 49 | 7% | 0.07 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.7 | -36 | 179.2 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | T213 F214 I215 A220 L221 | T213-S217 WeakPolarHBondContact O-CB 3.26Å; T213-S217 PolarHBondContact O-N 2.98Å; T213-S217 PolarHBondContact O-OG 3.06Å; F214-S217 PolarHBondContact O-N 3.42Å; F214-S217 VanDerWaalsContact O-N 3.12Å; I215-S217 VanDerWaalsContact C-N 3.25Å; I215-S217 PolarHBondContact O-N 3.39Å; S217-A220 PolarHBondContact O-N 3.3Å; S217-L221 WeakPolarHBondContact O-CG 3.29Å; S217-L221 PolarHBondContact O-N 3.11Å |
| 218 | L | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.7 | -46 | 172.8 | -71.1 | 175.8 | 0 | 0 | 0 | 111.4 | F181 I193 F214 I215 A220 L221 A222 V233 A236 L237 L240 | F181-L218 HydrophobicContact CE2-CD2 4.07Å; I193-L218 HydrophobicContact CG2-CD2 4.25Å; F214-L218 HydrophobicContact CD1-CD1 4.34Å; F214-L218 HydrophobicContact CD2-CD1 4.27Å; F214-L218 HydrophobicContact CD2-CG 4.07Å; F214-L218 HydrophobicContact CE1-CD1 3.93Å; F214-L218 HydrophobicContact CE2-CD1 3.84Å; F214-L218 HydrophobicContact CE2-CD2 3.79Å; F214-L218 HydrophobicContact CE2-CG 3.76Å; F214-L218 HydrophobicContact CZ-CD1 3.68Å; F214-L218 HydrophobicContact CZ-CD2 4.18Å; F214-L218 HydrophobicContact CZ-CG 4.12Å; F214-L218 WeakPolarHBondContact O-CG 3.05Å; F214-L218 PolarHBondContact O-N 3.03Å; I215-L218 PolarHBondContact O-N 2.89Å; L218-A220 VanDerWaalsContact C-N 3.27Å; L218-A220 PolarHBondContact O-N 2.97Å; L218-L221 CarbonylContact O-C 3.58Å; L218-L221 WeakPolarHBondContact O-CA 3.48Å; L218-L221 PolarHBondContact O-N 3.13Å; L218-A222 PolarHBondContact O-N 3.16Å; L218-A222 VanDerWaalsContact O-N 3.08Å; L218-V233 HydrophobicContact CD2-CG1 4.46Å; L218-V233 HydrophobicContact CD2-CG2 4.16Å; L218-A236 HydrophobicContact CD1-CB 3.78Å; L218-A236 HydrophobicContact CD2-CB 3.8Å; L218-A236 HydrophobicContact CG-CB 4.47Å; L218-L237 HydrophobicContact CD1-CD2 4.38Å; L218-L240 HydrophobicContact CD1-CD1 3.69Å |
| 219 | F | 94.2 | Very high | 95.6 | Very high | 69 Ų | 69 | 51.3 Ų | 51.3 | 30% | 0.303 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.4 | -33.9 | 177.8 | -65.3 | -26.5 | 0 | 0 | 0 | 112.8 | I215 L221 A222 L237 H251 I255 | I215-F219 HydrophobicContact CG2-CD2 3.97Å; I215-F219 HydrophobicContact CG2-CE1 4.4Å; I215-F219 HydrophobicContact CG2-CE2 3.37Å; I215-F219 HydrophobicContact CG2-CZ 3.62Å; I215-F219 WeakPolarHBondContact O-CG 3.36Å; I215-F219 PolarHBondContact O-N 3.15Å; F219-L221 PolarHBondContact O-N 3.33Å; F219-A222 WeakPolarHBondContact O-CB 3.28Å; F219-A222 PolarHBondContact O-N 3.1Å; F219-L237 HydrophobicContact CE1-CD2 4.14Å; F219-H251 HydrophobicContact CE2-CB 3.99Å; F219-H251 AromaticContact CE2-CD2 3.77Å; F219-H251 AromaticContact CE2-CG 3.69Å; F219-H251 HydrophobicContact CZ-CB 3.76Å; F219-H251 AromaticContact CZ-CG 3.98Å; F219-I255 HydrophobicContact CE1-CD1 4.06Å; F219-I255 HydrophobicContact CE1-CG1 3.84Å; F219-I255 HydrophobicContact CZ-CD1 3.95Å; F219-I255 HydrophobicContact CZ-CG1 4.12Å |
| 220 | A | 94.5 | Very high | 95.7 | Very high | 73 Ų | 73 | 47.5 Ų | 47.5 | 60% | 0.603 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.6 | -24.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113 | E216 S217 L218 | E216-A220 PolarHBondContact O-N 3.44Å; E216-A220 VanDerWaalsContact O-N 3.13Å; S217-A220 PolarHBondContact O-N 3.3Å; L218-A220 VanDerWaalsContact C-N 3.27Å; L218-A220 PolarHBondContact O-N 2.97Å |
| 221 | L | 96 | Very high | 95.7 | Very high | 15 Ų | 15 | 47.4 Ų | 47.4 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -98 | -2.7 | 179.3 | -66.2 | -179.1 | 0 | 0 | 0 | 114.3 | F181 I193 S217 L218 F219 G223 D224 V229 V233 | F181-L221 HydrophobicContact CB-CD1 3.94Å; F181-L221 HydrophobicContact CD2-CD1 3.8Å; F181-L221 HydrophobicContact CG-CD1 4.12Å; F181-L221 WeakPolarHBondContact O-CD2 3.35Å; I193-L221 HydrophobicContact CD1-CD1 3.83Å; I193-L221 HydrophobicContact CG1-CD1 4.31Å; S217-L221 WeakPolarHBondContact O-CG 3.29Å; S217-L221 PolarHBondContact O-N 3.11Å; L218-L221 CarbonylContact O-C 3.58Å; L218-L221 WeakPolarHBondContact O-CA 3.48Å; L218-L221 PolarHBondContact O-N 3.13Å; F219-L221 PolarHBondContact O-N 3.33Å; L221-G223 PolarHBondContact O-N 2.81Å; L221-G223 VanDerWaalsContact O-N 3.11Å; L221-D224 WeakPolarHBondContact O-CB 3.37Å; L221-D224 PolarHBondContact O-N 3.35Å; L221-V229 HydrophobicContact CB-CG1 4.43Å; L221-V229 HydrophobicContact CD1-CG1 4.43Å; L221-V233 HydrophobicContact CB-CG2 3.97Å |
| 222 | A | 91.1 | Very high | 95.7 | Very high | 21 Ų | 21 | 47.5 Ų | 47.5 | 17% | 0.174 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -27.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L218 F219 Y258 R262 | L218-A222 PolarHBondContact O-N 3.16Å; L218-A222 VanDerWaalsContact O-N 3.08Å; F219-A222 WeakPolarHBondContact O-CB 3.28Å; F219-A222 PolarHBondContact O-N 3.1Å; A222-Y258 HydrophobicContact CB-CD2 3.95Å; A222-Y258 HydrophobicContact CB-CE2 3.72Å; A222-Y258 WeakPolarHBondContact O-CE2 3.46Å; A222-R262 PolarHBondContact O-NH1 3.17Å |
| 223 | G | 91 | Very high | 95.9 | Very high | 71 Ų | 71 | 44 Ų | 44 | 73% | 0.732 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 8.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L221 | L221-G223 PolarHBondContact O-N 2.81Å; L221-G223 VanDerWaalsContact O-N 3.11Å |
| 224 | D | 96.1 | Very high | 96 | Very high | 22 Ų | 22 | 40.7 Ų | 40.7 | 12% | 0.118 | 23% | 0.231 | C | C | . | . | trans | -66.4 | 137.6 | -175.1 | -151.4 | -52.4 | 0 | 0 | 0 | 112.5 | R189 L221 D226 V229 R230 | R189-D224 IonicContact CZ-OD2 2.82Å; R189-D224 IonicContact NE-OD2 2.73Å; R189-D224 PolarHBondContact NE-OD2 3.17Å; R189-D224 VanDerWaalsContact NH2-CG 3.25Å; R189-D224 IonicContact NH2-OD1 2.83Å; R189-D224 PolarHBondContact NH2-OD1 2.99Å; R189-D224 IonicContact NH2-OD2 2.85Å; R189-D224 PolarHBondContact NH2-OD2 3.04Å; L221-D224 WeakPolarHBondContact O-CB 3.37Å; L221-D224 PolarHBondContact O-N 3.35Å; D224-D226 PolarHBondContact OD1-N 2.96Å; D224-V229 HydrophobicContact CB-CB 4.14Å; D224-V229 HydrophobicContact CB-CG1 3.76Å; D224-V229 WeakPolarHBondContact OD2-CG1 3.46Å; D224-R230 VanDerWaalsContact O-CD 3.29Å; D224-R230 WeakPolarHBondContact O-CD 3.26Å; D224-R230 VanDerWaalsContact O-CG 3.26Å; D224-R230 WeakPolarHBondContact O-CG 3.35Å; D224-R230 PolarHBondContact O-NH1 2.97Å | ||
| 225 | E | 94.3 | Very high | 96 | Very high | 182 Ų | 182 | 45.5 Ų | 45.5 | 85% | 0.85 | 25% | 0.249 | S | C | * | . | S | Bend | trans | -82.1 | -16.6 | -179.5 | -65.5 | -173.6 | 170.6 | 0 | 0 | 112.6 | R230 | E225-R230 PolarHBondContact O-NH1 3.43Š|
| 226 | D | 97.5 | Very high | 96.1 | Very high | 51 Ų | 51 | 45.1 Ų | 45.1 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | trans | -80.7 | 127.8 | 177.1 | -171.5 | -89.8 | 0 | 0 | 0 | 111.8 | P186 D224 E228 V229 R230 | P186-D226 HydrophobicContact CB-CB 3.52Å; P186-D226 VanDerWaalsContact CB-CG 3.48Å; P186-D226 HydrophobicContact CG-CB 4.37Å; D224-D226 PolarHBondContact OD1-N 2.96Å; D226-E228 PolarHBondContact O-N 2.87Å; D226-E228 WeakPolarHBondContact OD1-CB 3.26Å; D226-E228 PolarHBondContact OD1-N 3.08Å; D226-E228 VanDerWaalsContact OD1-N 3.11Å; D226-V229 HydrophobicContact CB-CB 4.3Å; D226-V229 HydrophobicContact CB-CG2 4Å; D226-V229 PolarHBondContact O-N 3.27Å; D226-V229 PolarHBondContact OD1-N 2.91Å; D226-R230 PolarHBondContact O-N 3.46Å; D226-R230 VanDerWaalsContact O-N 3.09Å; D226-R230 PolarHBondContact O-NH1 3.37Å | ||
| 227 | S | 96.7 | Very high | 96.2 | Very high | 37 Ų | 37 | 38.7 Ų | 38.7 | 26% | 0.259 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -68.7 | -34.2 | -175.1 | 61.7 | 0 | 0 | 0 | 0 | 112.7 | V229 R230 K231 D267 V270 | S227-V229 VanDerWaalsContact C-N 3.33Å; S227-V229 PolarHBondContact O-N 3.01Å; S227-R230 PolarHBondContact O-N 3.31Å; S227-K231 VanDerWaalsContact O-CB 3.31Å; S227-K231 WeakPolarHBondContact O-CB 3.31Å; S227-K231 PolarHBondContact O-N 2.98Å; S227-D267 WeakPolarHBondContact CB-OD2 3.19Å; S227-D267 PolarHBondContact OG-OD2 3.49Å; S227-V270 VanDerWaalsContact O-CG2 3.29Å; S227-V270 WeakPolarHBondContact O-CG2 3.3Å |
| 228 | E | 96.4 | Very high | 96.3 | Very high | 75 Ų | 75 | 38.7 Ų | 38.7 | 35% | 0.35 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.1 | -34.3 | 178.9 | -170.3 | 62.7 | -155.3 | 0 | 0 | 111.5 | S190 D226 K231 N232 | S190-E228 WeakPolarHBondContact OG-CG 3.24Å; D226-E228 PolarHBondContact O-N 2.87Å; D226-E228 WeakPolarHBondContact OD1-CB 3.26Å; D226-E228 PolarHBondContact OD1-N 3.08Å; D226-E228 VanDerWaalsContact OD1-N 3.11Å; E228-K231 WeakPolarHBondContact OE1-CE 3.4Å; E228-K231 IonicContact OE1-NZ 3.38Å; E228-K231 PolarHBondContact OE1-NZ 3.45Å; E228-K231 WeakPolarHBondContact OE2-CE 3.27Å; E228-K231 IonicContact OE2-NZ 3.64Å; E228-K231 PolarHBondContact OE2-NZ 3.27Å; E228-N232 PolarHBondContact O-N 2.87Å; E228-N232 PolarHBondContact O-ND2 3.05Å; E228-N232 PolarHBondContact OE1-ND2 3.02Å |
| 229 | V | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.5 | -49.6 | 170.2 | 179.8 | 0 | 0 | 0 | 0 | 110.6 | P186 R189 I193 L221 D224 D226 S227 K231 N232 V233 | P186-V229 HydrophobicContact CB-CG2 4.13Å; P186-V229 WeakPolarHBondContact O-CG2 3.44Å; R189-V229 HydrophobicContact CB-CG2 4Å; I193-V229 HydrophobicContact CD1-CG1 3.86Å; L221-V229 HydrophobicContact CB-CG1 4.43Å; L221-V229 HydrophobicContact CD1-CG1 4.43Å; D224-V229 HydrophobicContact CB-CB 4.14Å; D224-V229 HydrophobicContact CB-CG1 3.76Å; D224-V229 WeakPolarHBondContact OD2-CG1 3.46Å; D226-V229 HydrophobicContact CB-CB 4.3Å; D226-V229 HydrophobicContact CB-CG2 4Å; D226-V229 PolarHBondContact O-N 3.27Å; D226-V229 PolarHBondContact OD1-N 2.91Å; S227-V229 VanDerWaalsContact C-N 3.33Å; S227-V229 PolarHBondContact O-N 3.01Å; V229-K231 VanDerWaalsContact C-N 3.3Å; V229-K231 PolarHBondContact O-N 3.35Å; V229-N232 PolarHBondContact O-N 3.5Å; V229-V233 HydrophobicContact CG1-CG2 4.32Å; V229-V233 WeakPolarHBondContact O-CG2 3.21Å; V229-V233 PolarHBondContact O-N 3.25Å |
| 230 | R | 97.5 | Very high | 96.5 | Very high | 30 Ų | 30 | 36.4 Ų | 36.4 | 11% | 0.113 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -58.5 | -42.2 | 178.8 | -70.9 | -162 | -60.1 | -73.5 | -1.5 | 112.2 | D224 E225 D226 S227 V233 C234 D265 V270 | D224-R230 VanDerWaalsContact O-CD 3.29Å; D224-R230 WeakPolarHBondContact O-CD 3.26Å; D224-R230 VanDerWaalsContact O-CG 3.26Å; D224-R230 WeakPolarHBondContact O-CG 3.35Å; D224-R230 PolarHBondContact O-NH1 2.97Å; E225-R230 PolarHBondContact O-NH1 3.43Å; D226-R230 PolarHBondContact O-N 3.46Å; D226-R230 VanDerWaalsContact O-N 3.09Å; D226-R230 PolarHBondContact O-NH1 3.37Å; S227-R230 PolarHBondContact O-N 3.31Å; R230-V233 PolarHBondContact O-N 3.49Å; R230-C234 PolarHBondContact O-N 2.93Å; R230-C234 PolarHBondContact O-SG 3.39Å; R230-D265 IonicContact CZ-OD2 3.36Å; R230-D265 IonicContact NE-OD2 3.71Å; R230-D265 PolarHBondContact NE-OD2 3.46Å; R230-D265 IonicContact NH2-OD1 2.72Å; R230-D265 PolarHBondContact NH2-OD1 3.25Å; R230-D265 IonicContact NH2-OD2 2.71Å; R230-D265 PolarHBondContact NH2-OD2 3.23Å; R230-V270 HydrophobicContact CB-CG1 3.93Å; R230-V270 HydrophobicContact CB-CG2 4.29Å |
| 231 | K | 97.4 | Very high | 96.6 | Very high | 43 Ų | 43 | 33 Ų | 33 | 19% | 0.187 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.4 | -54.6 | 176.1 | -166.3 | -173.4 | 73.4 | -167.5 | 0 | 111.2 | S227 E228 V229 V233 C234 R235 N269 V270 E273 | S227-K231 VanDerWaalsContact O-CB 3.31Å; S227-K231 WeakPolarHBondContact O-CB 3.31Å; S227-K231 PolarHBondContact O-N 2.98Å; E228-K231 WeakPolarHBondContact OE1-CE 3.4Å; E228-K231 IonicContact OE1-NZ 3.38Å; E228-K231 PolarHBondContact OE1-NZ 3.45Å; E228-K231 WeakPolarHBondContact OE2-CE 3.27Å; E228-K231 IonicContact OE2-NZ 3.64Å; E228-K231 PolarHBondContact OE2-NZ 3.27Å; V229-K231 VanDerWaalsContact C-N 3.3Å; V229-K231 PolarHBondContact O-N 3.35Å; K231-V233 VanDerWaalsContact C-N 3.31Å; K231-V233 PolarHBondContact O-N 2.99Å; K231-C234 PolarHBondContact O-N 2.96Å; K231-C234 VanDerWaalsContact O-N 3.14Å; K231-R235 PolarHBondContact O-N 3.42Å; K231-N269 HydrophobicContact CD-CB 4.04Å; K231-V270 HydrophobicContact CB-CG2 4.14Å; K231-E273 HydrophobicContact CD-CG 4.34Å; K231-E273 HydrophobicContact CG-CB 4.19Å; K231-E273 HydrophobicContact CG-CG 3.66Å |
| 232 | N | 97.7 | Very high | 96.5 | Very high | 8 Ų | 8 | 37.2 Ų | 37.2 | 4% | 0.043 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.1 | -32.5 | -179.8 | -77.5 | -65.4 | 0 | 0 | 0 | 113.2 | S190 I193 N197 E228 V229 A236 | S190-N232 PolarHBondContact OG-ND2 3.42Å; I193-N232 HydrophobicContact CB-CB 3.95Å; I193-N232 HydrophobicContact CD1-CB 4.36Å; I193-N232 HydrophobicContact CG2-CB 3.69Å; N197-N232 PolarHBondContact ND2-O 3.13Å; N197-N232 VanDerWaalsContact ND2-O 3.1Å; E228-N232 PolarHBondContact O-N 2.87Å; E228-N232 PolarHBondContact O-ND2 3.05Å; E228-N232 PolarHBondContact OE1-ND2 3.02Å; V229-N232 PolarHBondContact O-N 3.5Å; N232-A236 VanDerWaalsContact O-CB 3.3Å; N232-A236 WeakPolarHBondContact O-CB 3.38Å; N232-A236 PolarHBondContact O-N 3.05Å |
| 233 | V | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66.7 | -43.4 | 172.5 | 171.5 | 0 | 0 | 0 | 0 | 111.2 | I193 L218 L221 V229 R230 K231 A236 L237 Y258 | I193-V233 HydrophobicContact CD1-CG2 3.95Å; L218-V233 HydrophobicContact CD2-CG1 4.46Å; L218-V233 HydrophobicContact CD2-CG2 4.16Å; L221-V233 HydrophobicContact CB-CG2 3.97Å; V229-V233 HydrophobicContact CG1-CG2 4.32Å; V229-V233 WeakPolarHBondContact O-CG2 3.21Å; V229-V233 PolarHBondContact O-N 3.25Å; R230-V233 PolarHBondContact O-N 3.49Å; K231-V233 VanDerWaalsContact C-N 3.31Å; K231-V233 PolarHBondContact O-N 2.99Å; V233-A236 PolarHBondContact O-N 3.21Å; V233-L237 HydrophobicContact CG1-CD1 4.2Å; V233-L237 WeakPolarHBondContact O-CG 3.49Å; V233-L237 PolarHBondContact O-N 3.21Å; V233-L237 VanDerWaalsContact O-N 3.1Å; V233-Y258 HydrophobicContact CG1-CE1 4.33Å |
| 234 | C | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.6 | -52.5 | 177.3 | -63.1 | 0 | 0 | 0 | 0 | 110.1 | R230 K231 A236 L237 V238 M259 E273 A274 | R230-C234 PolarHBondContact O-N 2.93Å; R230-C234 PolarHBondContact O-SG 3.39Å; K231-C234 PolarHBondContact O-N 2.96Å; K231-C234 VanDerWaalsContact O-N 3.14Å; C234-A236 VanDerWaalsContact C-N 3.3Å; C234-A236 PolarHBondContact O-N 2.96Å; C234-L237 WeakPolarHBondContact O-CB 3.47Å; C234-L237 PolarHBondContact O-N 3.28Å; C234-V238 WeakPolarHBondContact O-CG2 3.06Å; C234-V238 PolarHBondContact O-N 3.36Å; C234-M259 HydrophobicContact CB-CE 4.4Å; C234-M259 HydrophobicContact CB-SD 4.44Å; C234-E273 HydrophobicContact CB-CB 4.14Å; C234-A274 HydrophobicContact CB-CB 4.34Å |
| 235 | R | 97.4 | Very high | 96.8 | Very high | 101 Ų | 101 | 35.8 Ų | 35.8 | 38% | 0.381 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -53.9 | -44.8 | 176.2 | -161.7 | 177.9 | 164.3 | 171.2 | -0 | 112.9 | K231 L237 V238 M239 E273 | K231-R235 PolarHBondContact O-N 3.42Å; R235-L237 VanDerWaalsContact C-N 3.31Å; R235-L237 PolarHBondContact O-N 2.91Å; R235-V238 PolarHBondContact O-N 3.17Å; R235-M239 HydrophobicContact CB-CE 4.33Å; R235-M239 HydrophobicContact CG-CE 3.66Å; R235-M239 WeakPolarHBondContact O-CE 3.38Å; R235-M239 PolarHBondContact O-N 2.9Å; R235-E273 WeakPolarHBondContact CB-OE2 3.23Å; R235-E273 WeakPolarHBondContact CD-OE2 3.45Å; R235-E273 WeakPolarHBondContact CG-OE2 3.5Å |
| 236 | A | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.5 | -43.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | I193 N197 I200 F214 L218 N232 V233 C234 L240 | I193-A236 HydrophobicContact CG2-CB 4.44Å; N197-A236 WeakPolarHBondContact OD1-CB 3.3Å; I200-A236 HydrophobicContact CD1-CB 4.27Å; F214-A236 HydrophobicContact CZ-CB 3.99Å; L218-A236 HydrophobicContact CD1-CB 3.78Å; L218-A236 HydrophobicContact CD2-CB 3.8Å; L218-A236 HydrophobicContact CG-CB 4.47Å; N232-A236 VanDerWaalsContact O-CB 3.3Å; N232-A236 WeakPolarHBondContact O-CB 3.38Å; N232-A236 PolarHBondContact O-N 3.05Å; V233-A236 PolarHBondContact O-N 3.21Å; C234-A236 VanDerWaalsContact C-N 3.3Å; C234-A236 PolarHBondContact O-N 2.96Å; A236-L240 WeakPolarHBondContact O-CB 3.17Å; A236-L240 WeakPolarHBondContact O-CG 3.22Å; A236-L240 PolarHBondContact O-N 3.16Å |
| 237 | L | 98.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.021 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -69.5 | -35.9 | 178.7 | -70.8 | 170.8 | 0 | 0 | 0 | 112.2 | L218 F219 V233 C234 R235 L240 L241 Y258 M259 | L218-L237 HydrophobicContact CD1-CD2 4.38Å; F219-L237 HydrophobicContact CE1-CD2 4.14Å; V233-L237 HydrophobicContact CG1-CD1 4.2Å; V233-L237 WeakPolarHBondContact O-CG 3.49Å; V233-L237 PolarHBondContact O-N 3.21Å; V233-L237 VanDerWaalsContact O-N 3.1Å; C234-L237 WeakPolarHBondContact O-CB 3.47Å; C234-L237 PolarHBondContact O-N 3.28Å; R235-L237 VanDerWaalsContact C-N 3.31Å; R235-L237 PolarHBondContact O-N 2.91Å; L237-L240 PolarHBondContact O-N 2.87Å; L237-L241 WeakPolarHBondContact O-CB 3.44Å; L237-L241 PolarHBondContact O-N 3.05Å; L237-Y258 HydrophobicContact CD1-CD1 4.06Å; L237-Y258 HydrophobicContact CD1-CE1 4Å; L237-M259 HydrophobicContact CB-CE 3.41Å; L237-M259 VanDerWaalsContact CB-CE 3.41Å; L237-M259 HydrophobicContact CD1-CE 3.65Å; L237-M259 HydrophobicContact CG-CE 4.18Å |
| 238 | V | 97.7 | Very high | 96.6 | Very high | 9 Ų | 9 | 31.3 Ų | 31.3 | 6% | 0.055 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61 | -53.5 | 172.4 | 177.3 | 0 | 0 | 0 | 0 | 110.2 | C234 R235 L240 L241 E242 E273 E276 F277 T280 | C234-V238 WeakPolarHBondContact O-CG2 3.06Å; C234-V238 PolarHBondContact O-N 3.36Å; R235-V238 PolarHBondContact O-N 3.17Å; V238-L240 VanDerWaalsContact C-N 3.31Å; V238-L240 PolarHBondContact O-N 3.46Å; V238-L241 VanDerWaalsContact O-CB 3.24Å; V238-L241 WeakPolarHBondContact O-CB 3.24Å; V238-L241 PolarHBondContact O-N 3.28Å; V238-E242 PolarHBondContact O-N 3.47Å; V238-E273 WeakPolarHBondContact CG2-O 3.28Å; V238-E276 HydrophobicContact CG1-CB 4.25Å; V238-E276 HydrophobicContact CG2-CB 4.28Å; V238-F277 HydrophobicContact CG2-CB 3.91Å; V238-T280 WeakPolarHBondContact CG1-OG1 3.45Å |
| 239 | M | 97.4 | Very high | 96.5 | Very high | 22 Ų | 22 | 31.6 Ų | 31.6 | 11% | 0.108 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.7 | -38.8 | 178.6 | -68.2 | -177.2 | -79.7 | 0 | 0 | 112.2 | N197 I200 I201 R235 L241 E242 V243 | N197-M239 HydrophobicContact CB-CE 3.4Å; N197-M239 VanDerWaalsContact CB-CE 3.4Å; N197-M239 VanDerWaalsContact CG-CE 3.42Å; I200-M239 HydrophobicContact CB-CB 3.95Å; I200-M239 HydrophobicContact CB-SD 4.46Å; I200-M239 HydrophobicContact CD1-CB 4.03Å; I200-M239 HydrophobicContact CD1-CE 3.9Å; I200-M239 HydrophobicContact CD1-SD 4.46Å; I200-M239 HydrophobicContact CG2-CB 3.59Å; I201-M239 HydrophobicContact CD1-CB 3.8Å; I201-M239 HydrophobicContact CD1-CG 3.93Å; I201-M239 HydrophobicContact CG1-CB 4.31Å; I201-M239 HydrophobicContact CG1-CG 4.09Å; I201-M239 HydrophobicContact CG1-SD 4.19Å; R235-M239 HydrophobicContact CB-CE 4.33Å; R235-M239 HydrophobicContact CG-CE 3.66Å; R235-M239 WeakPolarHBondContact O-CE 3.38Å; R235-M239 PolarHBondContact O-N 2.9Å; M239-L241 VanDerWaalsContact C-N 3.28Å; M239-L241 PolarHBondContact O-N 3.31Å; M239-E242 PolarHBondContact O-N 2.92Å; M239-V243 WeakPolarHBondContact O-CG2 3.33Å; M239-V243 PolarHBondContact O-N 3.43Å |
| 240 | L | 97.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66 | -30.1 | 175.6 | -77.7 | 171.5 | 0 | 0 | 0 | 112.9 | I200 I211 F214 I215 L218 A236 L237 V238 E242 R244 I245 L248 | I200-L240 HydrophobicContact CD1-CG 4.42Å; I200-L240 HydrophobicContact CG2-CD2 4.05Å; I200-L240 HydrophobicContact CG2-CG 4.23Å; I211-L240 HydrophobicContact CD1-CD2 3.57Å; F214-L240 HydrophobicContact CD1-CD1 4.15Å; F214-L240 HydrophobicContact CD1-CD2 4.4Å; F214-L240 HydrophobicContact CE1-CD1 3.8Å; F214-L240 HydrophobicContact CE1-CD2 4.22Å; F214-L240 HydrophobicContact CE1-CG 4.17Å; I215-L240 HydrophobicContact CG1-CD1 3.99Å; L218-L240 HydrophobicContact CD1-CD1 3.69Å; A236-L240 WeakPolarHBondContact O-CB 3.17Å; A236-L240 WeakPolarHBondContact O-CG 3.22Å; A236-L240 PolarHBondContact O-N 3.16Å; L237-L240 PolarHBondContact O-N 2.87Å; V238-L240 VanDerWaalsContact C-N 3.31Å; V238-L240 PolarHBondContact O-N 3.46Å; L240-E242 VanDerWaalsContact C-N 3.28Å; L240-R244 HydrophobicContact CD2-CB 4.25Å; L240-R244 CarbonylContact O-C 3.59Å; L240-R244 VanDerWaalsContact O-CA 3.29Å; L240-R244 WeakPolarHBondContact O-CA 3.22Å; L240-R244 PolarHBondContact O-N 3.39Å; L240-I245 PolarHBondContact O-N 3.3Å; L240-L248 HydrophobicContact CB-CD1 3.89Å; L240-L248 HydrophobicContact CB-CD2 4.37Å; L240-L248 HydrophobicContact CB-CG 4.41Å; L240-L248 HydrophobicContact CD1-CD2 4.48Å |
| 241 | L | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 176.4 | -176.8 | 64.5 | 0 | 0 | 0 | 111.1 | L237 V238 M239 I245 L248 M252 F277 T280 L281 Q284 | L237-L241 WeakPolarHBondContact O-CB 3.44Å; L237-L241 PolarHBondContact O-N 3.05Å; V238-L241 VanDerWaalsContact O-CB 3.24Å; V238-L241 WeakPolarHBondContact O-CB 3.24Å; V238-L241 PolarHBondContact O-N 3.28Å; M239-L241 VanDerWaalsContact C-N 3.28Å; M239-L241 PolarHBondContact O-N 3.31Å; L241-I245 HydrophobicContact CD1-CB 4.49Å; L241-I245 HydrophobicContact CD1-CD1 3.68Å; L241-I245 HydrophobicContact CD1-CG1 3.86Å; L241-I245 WeakPolarHBondContact O-CB 3.43Å; L241-L248 HydrophobicContact CB-CD1 4.2Å; L241-L248 HydrophobicContact CD1-CD1 4.42Å; L241-M252 HydrophobicContact CD1-CE 3.96Å; L241-F277 HydrophobicContact CD2-CD2 3.91Å; L241-F277 HydrophobicContact CD2-CE2 3.73Å; L241-F277 HydrophobicContact CD2-CZ 4.24Å; L241-T280 HydrophobicContact CB-CG2 4.29Å; L241-T280 HydrophobicContact CD2-CG2 3.99Å; L241-T280 HydrophobicContact CG-CG2 4.19Å; L241-L281 HydrophobicContact CD1-CD1 4.06Å; L241-L281 HydrophobicContact CD2-CB 3.68Å; L241-L281 HydrophobicContact CD2-CD1 4.13Å; L241-L281 HydrophobicContact CD2-CG 4.47Å; L241-Q284 HydrophobicContact CG-CG 4.37Å |
| 242 | E | 94.6 | Very high | 96.1 | Very high | 104 Ų | 104 | 37.3 Ų | 37.3 | 49% | 0.486 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -70.8 | -44.9 | 179.4 | -164.2 | -170.3 | 144.5 | 0 | 0 | 112.4 | I201 V238 M239 L240 T280 | I201-E242 HydrophobicContact CD1-CB 4.47Å; I201-E242 WeakPolarHBondContact CD1-OE2 3.44Å; V238-E242 PolarHBondContact O-N 3.47Å; M239-E242 PolarHBondContact O-N 2.92Å; L240-E242 VanDerWaalsContact C-N 3.28Å; E242-T280 HydrophobicContact CB-CG2 4.16Å |
| 243 | V | 95.2 | Very high | 96 | Very high | 14 Ų | 14 | 42.6 Ų | 42.6 | 9% | 0.085 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -99.1 | -25.8 | -172.1 | -62.9 | 0 | 0 | 0 | 0 | 115.5 | I200 I201 R203 M239 | I200-V243 HydrophobicContact CG2-CG2 3.55Å; I201-V243 HydrophobicContact CD1-CG1 4.14Å; R203-V243 HydrophobicContact CG-CB 4.22Å; R203-V243 HydrophobicContact CG-CG1 4.19Å; M239-V243 WeakPolarHBondContact O-CG2 3.33Å; M239-V243 PolarHBondContact O-N 3.43Å |
| 244 | R | 94.6 | Very high | 95.8 | Very high | 37 Ų | 37 | 46.4 Ų | 46.4 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -141.2 | 40.7 | -169.6 | -68.6 | -56.7 | -57.3 | -87.7 | 2.4 | 112.9 | M208 L240 D246 R247 | M208-R244 HydrophobicContact CE-CG 4.15Å; M208-R244 HydrophobicContact SD-CG 3.94Å; M208-R244 PolarHBondContact SD-NH1 3.2Å; L240-R244 HydrophobicContact CD2-CB 4.25Å; L240-R244 CarbonylContact O-C 3.59Å; L240-R244 VanDerWaalsContact O-CA 3.29Å; L240-R244 WeakPolarHBondContact O-CA 3.22Å; L240-R244 PolarHBondContact O-N 3.39Å; R244-D246 VanDerWaalsContact C-OD1 3.28Å; R244-D246 VanDerWaalsContact CA-OD1 3.27Å; R244-D246 WeakPolarHBondContact CA-OD1 3.45Å; R244-D246 IonicContact CZ-OD1 3.82Å; R244-D246 IonicContact CZ-OD2 3.81Å; R244-D246 IonicContact NE-OD1 3.96Å; R244-D246 PolarHBondContact NE-OD1 3.16Å; R244-D246 IonicContact NE-OD2 3.56Å; R244-D246 PolarHBondContact NE-OD2 3.19Å; R244-D246 IonicContact NH2-OD1 3.19Å; R244-D246 IonicContact NH2-OD2 2.99Å; R244-D246 PolarHBondContact NH2-OD2 2.92Å; R244-D246 PolarHBondContact O-N 3.3Å; R244-D246 VanDerWaalsContact O-N 3.08Å; R244-R247 VanDerWaalsContact NH2-NE 3.14Å; R244-R247 PolarHBondContact O-N 3.45Å |
| 245 | I | 94.5 | Very high | 95.8 | Very high | 33 Ų | 33 | 46.5 Ų | 46.5 | 17% | 0.169 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -52.6 | -31.2 | 173.5 | -164.5 | 162.6 | 0 | 0 | 0 | 112.7 | L240 L241 R247 L248 I249 M252 Q284 I286 | L240-I245 PolarHBondContact O-N 3.3Å; L241-I245 HydrophobicContact CD1-CB 4.49Å; L241-I245 HydrophobicContact CD1-CD1 3.68Å; L241-I245 HydrophobicContact CD1-CG1 3.86Å; L241-I245 WeakPolarHBondContact O-CB 3.43Å; I245-R247 PolarHBondContact O-N 3.37Å; I245-R247 VanDerWaalsContact O-N 3.12Å; I245-L248 PolarHBondContact O-N 2.98Å; I245-I249 HydrophobicContact CG1-CD1 4.41Å; I245-I249 HydrophobicContact CG1-CG1 4.15Å; I245-I249 VanDerWaalsContact O-CG1 3.3Å; I245-I249 WeakPolarHBondContact O-CG1 3.44Å; I245-I249 PolarHBondContact O-N 3.03Å; I245-M252 HydrophobicContact CG1-CE 4.28Å; I245-Q284 HydrophobicContact CD1-CB 3.88Å; I245-Q284 HydrophobicContact CD1-CG 3.77Å; I245-I286 HydrophobicContact CD1-CG2 3.61Å |
| 246 | D | 94.2 | Very high | 95.8 | Very high | 80 Ų | 80 | 41.8 Ų | 41.8 | 43% | 0.428 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -50.9 | -36.8 | 176 | 67.4 | -60.3 | 0 | 0 | 0 | 112.9 | R244 | R244-D246 VanDerWaalsContact C-OD1 3.28Å; R244-D246 VanDerWaalsContact CA-OD1 3.27Å; R244-D246 WeakPolarHBondContact CA-OD1 3.45Å; R244-D246 IonicContact CZ-OD1 3.82Å; R244-D246 IonicContact CZ-OD2 3.81Å; R244-D246 IonicContact NE-OD1 3.96Å; R244-D246 PolarHBondContact NE-OD1 3.16Å; R244-D246 IonicContact NE-OD2 3.56Å; R244-D246 PolarHBondContact NE-OD2 3.19Å; R244-D246 IonicContact NH2-OD1 3.19Å; R244-D246 IonicContact NH2-OD2 2.99Å; R244-D246 PolarHBondContact NH2-OD2 2.92Å; R244-D246 PolarHBondContact O-N 3.3Å; R244-D246 VanDerWaalsContact O-N 3.08Å |
| 247 | R | 94.8 | Very high | 95.7 | Very high | 96 Ų | 96 | 44.4 Ų | 44.4 | 36% | 0.362 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -88.6 | -20.4 | 179.3 | -62.7 | -57.7 | 178.3 | 129.3 | -1.9 | 113.8 | D212 I215 R244 I245 P250 | D212-R247 IonicContact OD1-CZ 2.75Å; D212-R247 IonicContact OD1-NH1 2.82Å; D212-R247 PolarHBondContact OD1-NH1 3.06Å; D212-R247 IonicContact OD2-CZ 3.81Å; D212-R247 IonicContact OD2-NH1 2.74Å; D212-R247 PolarHBondContact OD2-NH1 3.18Å; I215-R247 HydrophobicContact CD1-CB 3.54Å; I215-R247 HydrophobicContact CD1-CG 4.37Å; R244-R247 VanDerWaalsContact NH2-NE 3.14Å; R244-R247 PolarHBondContact O-N 3.45Å; I245-R247 PolarHBondContact O-N 3.37Å; I245-R247 VanDerWaalsContact O-N 3.12Å; R247-P250 WeakPolarHBondContact O-CD 3.35Å |
| 248 | L | 95.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -85.7 | -29.1 | 178.5 | -58 | -168.5 | 0 | 0 | 0 | 112.7 | I215 L240 L241 I245 P250 H251 M252 I255 | I215-L248 HydrophobicContact CD1-CD2 4.16Å; I215-L248 HydrophobicContact CG1-CD2 4.45Å; L240-L248 HydrophobicContact CB-CD1 3.89Å; L240-L248 HydrophobicContact CB-CD2 4.37Å; L240-L248 HydrophobicContact CB-CG 4.41Å; L240-L248 HydrophobicContact CD1-CD2 4.48Å; L241-L248 HydrophobicContact CB-CD1 4.2Å; L241-L248 HydrophobicContact CD1-CD1 4.42Å; I245-L248 PolarHBondContact O-N 2.98Å; L248-P250 VanDerWaalsContact C-CD 3.43Å; L248-P250 VanDerWaalsContact C-N 3.35Å; L248-H251 CarbonylContact O-C 3.49Å; L248-H251 WeakPolarHBondContact O-CA 3.34Å; L248-H251 PolarHBondContact O-N 2.89Å; L248-M252 HydrophobicContact CB-CE 4.29Å; L248-M252 PolarHBondContact O-N 3.24Å; L248-I255 HydrophobicContact CB-CD1 3.97Å; L248-I255 HydrophobicContact CD1-CD1 4.48Å; L248-I255 HydrophobicContact CD2-CD1 4.09Å; L248-I255 HydrophobicContact CG-CD1 4.4Å |
| 249 | I | 94.5 | Very high | 95.7 | Very high | 81 Ų | 81 | 45 Ų | 45 | 42% | 0.415 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -46.6 | -47.6 | -179.1 | -74.9 | 164.5 | 0 | 0 | 0 | 113.4 | I245 H251 M252 I286 | I245-I249 HydrophobicContact CG1-CD1 4.41Å; I245-I249 HydrophobicContact CG1-CG1 4.15Å; I245-I249 VanDerWaalsContact O-CG1 3.3Å; I245-I249 WeakPolarHBondContact O-CG1 3.44Å; I245-I249 PolarHBondContact O-N 3.03Å; I249-H251 PolarHBondContact O-N 2.97Å; I249-H251 VanDerWaalsContact O-N 3.08Å; I249-M252 WeakPolarHBondContact O-CB 3.16Å; I249-M252 PolarHBondContact O-N 2.81Å; I249-I286 HydrophobicContact CD1-CD1 4.17Å; I249-I286 HydrophobicContact CG1-CD1 3.91Å |
| 250 | P | 94.8 | Very high | 95.8 | Very high | 97 Ų | 97 | 44.2 Ų | 44.2 | 63% | 0.63 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -61.1 | -21.6 | 179.9 | -23.3 | 34.7 | 0 | 0 | 0 | 114.5 | R247 L248 | R247-P250 WeakPolarHBondContact O-CD 3.35Å; L248-P250 VanDerWaalsContact C-CD 3.43Å; L248-P250 VanDerWaalsContact C-N 3.35Å |
| 251 | H | 94.8 | Very high | 95.8 | Very high | 86 Ų | 86 | 49.3 Ų | 49.3 | 40% | 0.398 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -114 | 5.9 | -176.3 | -56.4 | -69.4 | 0 | 0 | 0 | 112.7 | F219 L248 I249 H253 S254 I255 | F219-H251 HydrophobicContact CE2-CB 3.99Å; F219-H251 AromaticContact CE2-CD2 3.77Å; F219-H251 AromaticContact CE2-CG 3.69Å; F219-H251 HydrophobicContact CZ-CB 3.76Å; F219-H251 AromaticContact CZ-CG 3.98Å; L248-H251 CarbonylContact O-C 3.49Å; L248-H251 WeakPolarHBondContact O-CA 3.34Å; L248-H251 PolarHBondContact O-N 2.89Å; I249-H251 PolarHBondContact O-N 2.97Å; I249-H251 VanDerWaalsContact O-N 3.08Å; H251-H253 VanDerWaalsContact C-N 3.31Å; H251-H253 PolarHBondContact O-N 3.46Å; H251-S254 PolarHBondContact O-N 2.98Å; H251-I255 HydrophobicContact CB-CD1 4.07Å; H251-I255 HydrophobicContact CB-CG1 4.43Å; H251-I255 WeakPolarHBondContact O-CG1 3.34Å; H251-I255 PolarHBondContact O-N 3.43Å |
| 252 | M | 94.8 | Very high | 95.8 | Very high | 11 Ų | 11 | 51.4 Ų | 51.4 | 5% | 0.054 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -56 | -42.3 | -168.6 | -172.7 | 58.2 | 71.7 | 0 | 0 | 112.9 | L241 I245 L248 I249 S254 I255 I256 F277 A290 | L241-M252 HydrophobicContact CD1-CE 3.96Å; I245-M252 HydrophobicContact CG1-CE 4.28Å; L248-M252 HydrophobicContact CB-CE 4.29Å; L248-M252 PolarHBondContact O-N 3.24Å; I249-M252 WeakPolarHBondContact O-CB 3.16Å; I249-M252 PolarHBondContact O-N 2.81Å; M252-S254 PolarHBondContact O-N 3.35Å; M252-I255 PolarHBondContact O-N 2.97Å; M252-I256 HydrophobicContact CG-CD1 3.8Å; M252-I256 HydrophobicContact CG-CG1 4.38Å; M252-I256 VanDerWaalsContact O-CG1 3.31Å; M252-I256 WeakPolarHBondContact O-CG1 3.44Å; M252-I256 PolarHBondContact O-N 3.4Å; M252-I256 HydrophobicContact SD-CD1 4.18Å; M252-I256 HydrophobicContact SD-CG1 4.24Å; M252-F277 HydrophobicContact SD-CZ 4.21Å; M252-A290 HydrophobicContact CG-CB 4Å |
| 253 | H | 94.8 | Very high | 96 | Very high | 118 Ų | 118 | 46.8 Ų | 46.8 | 55% | 0.546 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.1 | -45.8 | 177.2 | 178.8 | 66.8 | 0 | 0 | 0 | 112.4 | H251 I255 I256 Q257 H294 | H251-H253 VanDerWaalsContact C-N 3.31Å; H251-H253 PolarHBondContact O-N 3.46Å; H253-I255 VanDerWaalsContact C-N 3.35Å; H253-I256 PolarHBondContact O-N 3.35Å; H253-Q257 VanDerWaalsContact O-CG 3.32Å; H253-Q257 WeakPolarHBondContact O-CG 3.48Å; H253-Q257 PolarHBondContact O-N 3.19Å; H253-H294 AromaticContact CE1-NE2 3.45Å; H253-H294 PolarHBondContact CE1-NE2 3.22Å; H253-H294 AromaticContact ND1-CE1 3.47Å; H253-H294 PolarHBondContact ND1-CE1 2.92Å; H253-H294 AromaticContact ND1-NE2 3.26Å; H253-H294 PolarHBondContact ND1-NE2 3.04Å |
| 254 | S | 95.3 | Very high | 96.1 | Very high | 81 Ų | 81 | 51.9 Ų | 51.9 | 57% | 0.566 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -67 | -37.4 | 178.4 | -58.3 | 0 | 0 | 0 | 0 | 111.9 | H251 M252 Q257 Y258 | H251-S254 PolarHBondContact O-N 2.98Å; M252-S254 PolarHBondContact O-N 3.35Å; S254-Q257 PolarHBondContact O-N 3.08Å; S254-Y258 WeakPolarHBondContact O-CB 3.43Å; S254-Y258 PolarHBondContact O-N 3.25Å |
| 255 | I | 97.2 | Very high | 96.2 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -64.6 | -46.8 | 176.3 | -65.9 | 165.3 | 0 | 0 | 0 | 110.2 | F219 L248 H251 M252 H253 Q257 Y258 M259 F277 | F219-I255 HydrophobicContact CE1-CD1 4.06Å; F219-I255 HydrophobicContact CE1-CG1 3.84Å; F219-I255 HydrophobicContact CZ-CD1 3.95Å; F219-I255 HydrophobicContact CZ-CG1 4.12Å; L248-I255 HydrophobicContact CB-CD1 3.97Å; L248-I255 HydrophobicContact CD1-CD1 4.48Å; L248-I255 HydrophobicContact CD2-CD1 4.09Å; L248-I255 HydrophobicContact CG-CD1 4.4Å; H251-I255 HydrophobicContact CB-CD1 4.07Å; H251-I255 HydrophobicContact CB-CG1 4.43Å; H251-I255 WeakPolarHBondContact O-CG1 3.34Å; H251-I255 PolarHBondContact O-N 3.43Å; M252-I255 PolarHBondContact O-N 2.97Å; H253-I255 VanDerWaalsContact C-N 3.35Å; I255-Q257 VanDerWaalsContact C-N 3.33Å; I255-Q257 PolarHBondContact O-N 3.08Å; I255-Y258 WeakPolarHBondContact O-CB 3.33Å; I255-Y258 PolarHBondContact O-N 3.4Å; I255-Y258 VanDerWaalsContact O-N 3.14Å; I255-M259 HydrophobicContact CG2-CG 4.2Å; I255-M259 WeakPolarHBondContact O-CG 3.1Å; I255-M259 PolarHBondContact O-N 2.83Å; I255-F277 HydrophobicContact CG2-CE2 3.62Å; I255-F277 HydrophobicContact CG2-CZ 3.65Å |
| 256 | I | 97.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 55.5 Ų | 55.5 | 1% | 0.01 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -44.5 | 176.7 | -70.5 | 165.5 | 0 | 0 | 0 | 110.7 | M252 H253 Y258 M259 L260 F277 W278 A290 L291 H294 | M252-I256 HydrophobicContact CG-CD1 3.8Å; M252-I256 HydrophobicContact CG-CG1 4.38Å; M252-I256 VanDerWaalsContact O-CG1 3.31Å; M252-I256 WeakPolarHBondContact O-CG1 3.44Å; M252-I256 PolarHBondContact O-N 3.4Å; M252-I256 HydrophobicContact SD-CD1 4.18Å; M252-I256 HydrophobicContact SD-CG1 4.24Å; H253-I256 PolarHBondContact O-N 3.35Å; I256-Y258 VanDerWaalsContact C-N 3.3Å; I256-Y258 PolarHBondContact O-N 3.02Å; I256-M259 PolarHBondContact O-N 3.23Å; I256-L260 HydrophobicContact CG2-CD1 3.95Å; I256-L260 HydrophobicContact CG2-CG 4.31Å; I256-L260 WeakPolarHBondContact O-CB 3.43Å; I256-L260 VanDerWaalsContact O-CG 3.29Å; I256-L260 WeakPolarHBondContact O-CG 3.4Å; I256-L260 PolarHBondContact O-N 3.25Å; I256-F277 HydrophobicContact CG1-CE1 4.14Å; I256-F277 HydrophobicContact CG1-CZ 4.43Å; I256-W278 HydrophobicContact CG1-CZ3 4.43Å; I256-W278 HydrophobicContact CG2-CH2 4.06Å; I256-W278 HydrophobicContact CG2-CZ3 4.14Å; I256-A290 HydrophobicContact CD1-CB 4.05Å; I256-A290 WeakPolarHBondContact CD1-O 3.48Å; I256-L291 HydrophobicContact CD1-CD2 4.09Å; I256-L291 HydrophobicContact CG1-CD2 4.37Å; I256-L291 HydrophobicContact CG2-CD2 4.33Å; I256-H294 HydrophobicContact CG2-CB 4.1Å |
| 257 | Q | 96.8 | Very high | 96.2 | Very high | 56 Ų | 56 | 53.9 Ų | 53.9 | 26% | 0.262 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 176.5 | -71.8 | -63.9 | -41.6 | 0 | 0 | 112.4 | H253 S254 I255 Q261 H294 | H253-Q257 VanDerWaalsContact O-CG 3.32Å; H253-Q257 WeakPolarHBondContact O-CG 3.48Å; H253-Q257 PolarHBondContact O-N 3.19Å; S254-Q257 PolarHBondContact O-N 3.08Å; I255-Q257 VanDerWaalsContact C-N 3.33Å; I255-Q257 PolarHBondContact O-N 3.08Å; Q257-Q261 WeakPolarHBondContact O-CG 3.39Å; Q257-Q261 PolarHBondContact O-N 3.43Å; Q257-H294 PolarHBondContact NE2-CD2 3.2Å; Q257-H294 PolarHBondContact NE2-NE2 3.37Å |
| 258 | Y | 97.4 | Very high | 96.1 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 10% | 0.098 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.1 | -50.2 | 174.6 | 173 | -104.2 | 0 | 0 | 0 | 111.5 | A222 V233 L237 S254 I255 I256 L260 Q261 R262 | A222-Y258 HydrophobicContact CB-CD2 3.95Å; A222-Y258 HydrophobicContact CB-CE2 3.72Å; A222-Y258 WeakPolarHBondContact O-CE2 3.46Å; V233-Y258 HydrophobicContact CG1-CE1 4.33Å; L237-Y258 HydrophobicContact CD1-CD1 4.06Å; L237-Y258 HydrophobicContact CD1-CE1 4Å; S254-Y258 WeakPolarHBondContact O-CB 3.43Å; S254-Y258 PolarHBondContact O-N 3.25Å; I255-Y258 WeakPolarHBondContact O-CB 3.33Å; I255-Y258 PolarHBondContact O-N 3.4Å; I255-Y258 VanDerWaalsContact O-N 3.14Å; I256-Y258 VanDerWaalsContact C-N 3.3Å; I256-Y258 PolarHBondContact O-N 3.02Å; Y258-L260 PolarHBondContact O-N 3.45Å; Y258-Q261 WeakPolarHBondContact O-CB 3.35Å; Y258-Q261 PolarHBondContact O-N 3.47Å; Y258-Q261 VanDerWaalsContact O-N 3.11Å; Y258-R262 HydrophobicContact CD1-CG 4.17Å; Y258-R262 HydrophobicContact CD2-CG 4.08Å; Y258-R262 HydrophobicContact CE1-CG 3.7Å; Y258-R262 HydrophobicContact CE2-CG 3.59Å; Y258-R262 HydrophobicContact CG-CG 4.35Å; Y258-R262 WeakPolarHBondContact O-CG 3.21Å; Y258-R262 PolarHBondContact O-N 3.44Å |
| 259 | M | 98.2 | Very high | 96 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | -179 | -66.8 | -55.3 | -159.4 | 0 | 0 | 111.9 | C234 L237 I255 I256 Q261 R262 T263 A274 F277 W278 | C234-M259 HydrophobicContact CB-CE 4.4Å; C234-M259 HydrophobicContact CB-SD 4.44Å; L237-M259 HydrophobicContact CB-CE 3.41Å; L237-M259 VanDerWaalsContact CB-CE 3.41Å; L237-M259 HydrophobicContact CD1-CE 3.65Å; L237-M259 HydrophobicContact CG-CE 4.18Å; I255-M259 HydrophobicContact CG2-CG 4.2Å; I255-M259 WeakPolarHBondContact O-CG 3.1Å; I255-M259 PolarHBondContact O-N 2.83Å; I256-M259 PolarHBondContact O-N 3.23Å; M259-Q261 PolarHBondContact O-N 3.1Å; M259-R262 PolarHBondContact O-N 3.29Å; M259-T263 PolarHBondContact O-N 3.3Å; M259-T263 PolarHBondContact O-OG1 2.95Å; M259-A274 HydrophobicContact SD-CB 4.22Å; M259-F277 HydrophobicContact CB-CD1 3.9Å; M259-F277 HydrophobicContact CB-CE1 4.37Å; M259-F277 HydrophobicContact CB-CG 4.22Å; M259-F277 HydrophobicContact CE-CB 4.07Å; M259-F277 HydrophobicContact CE-CD2 3.68Å; M259-F277 HydrophobicContact CE-CE2 4.38Å; M259-F277 HydrophobicContact CE-CG 4Å; M259-F277 HydrophobicContact CG-CB 4.08Å; M259-F277 HydrophobicContact CG-CD1 3.74Å; M259-F277 HydrophobicContact CG-CD2 3.97Å; M259-F277 HydrophobicContact CG-CE1 4.14Å; M259-F277 HydrophobicContact CG-CE2 4.34Å; M259-F277 HydrophobicContact CG-CG 3.65Å; M259-F277 HydrophobicContact CG-CZ 4.43Å; M259-F277 HydrophobicContact SD-CB 4.33Å; M259-F277 HydrophobicContact SD-CG 4.4Å; M259-W278 HydrophobicContact CB-CH2 3.67Å; M259-W278 HydrophobicContact CB-CZ2 3.6Å |
| 260 | L | 98.2 | Very high | 96.2 | Very high | 5 Ų | 5 | 55 Ų | 55 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -56.5 | -36.7 | 174.7 | -77.5 | 168.9 | 0 | 0 | 0 | 112.2 | I256 Y258 Q264 W278 H294 L298 I301 | I256-L260 HydrophobicContact CG2-CD1 3.95Å; I256-L260 HydrophobicContact CG2-CG 4.31Å; I256-L260 WeakPolarHBondContact O-CB 3.43Å; I256-L260 VanDerWaalsContact O-CG 3.29Å; I256-L260 WeakPolarHBondContact O-CG 3.4Å; I256-L260 PolarHBondContact O-N 3.25Å; Y258-L260 PolarHBondContact O-N 3.45Å; L260-Q264 PolarHBondContact O-NE2 3.29Å; L260-W278 HydrophobicContact CB-CZ2 4.45Å; L260-W278 HydrophobicContact CD2-CH2 3.98Å; L260-W278 HydrophobicContact CD2-CZ2 3.87Å; L260-W278 HydrophobicContact CG-CH2 3.76Å; L260-W278 HydrophobicContact CG-CZ2 3.92Å; L260-H294 HydrophobicContact CD1-CB 4.42Å; L260-L298 HydrophobicContact CD2-CB 3.9Å; L260-L298 HydrophobicContact CD2-CD1 3.82Å; L260-L298 HydrophobicContact CD2-CG 4.44Å; L260-I301 HydrophobicContact CD2-CD1 3.75Å |
| 261 | Q | 97.1 | Very high | 96.3 | Very high | 107 Ų | 107 | 50.5 Ų | 50.5 | 50% | 0.5 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -76.2 | -37.3 | 176.2 | -66.9 | 177.1 | 9.9 | 0 | 0 | 112.3 | Q257 Y258 M259 Q264 | Q257-Q261 WeakPolarHBondContact O-CG 3.39Å; Q257-Q261 PolarHBondContact O-N 3.43Å; Y258-Q261 WeakPolarHBondContact O-CB 3.35Å; Y258-Q261 PolarHBondContact O-N 3.47Å; Y258-Q261 VanDerWaalsContact O-N 3.11Å; M259-Q261 PolarHBondContact O-N 3.1Å; Q261-Q264 CarbonylContact O-C 3.57Å; Q261-Q264 PolarHBondContact O-N 2.78Å |
| 262 | R | 97.9 | Very high | 96.4 | Very high | 44 Ų | 44 | 47.6 Ų | 47.6 | 17% | 0.166 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -75.7 | -31.8 | -179.3 | -65.9 | -61.6 | 87.8 | 99.3 | 7.7 | 113.3 | A222 Y258 M259 Q264 D265 A271 A274 | A222-R262 PolarHBondContact O-NH1 3.17Å; Y258-R262 HydrophobicContact CD1-CG 4.17Å; Y258-R262 HydrophobicContact CD2-CG 4.08Å; Y258-R262 HydrophobicContact CE1-CG 3.7Å; Y258-R262 HydrophobicContact CE2-CG 3.59Å; Y258-R262 HydrophobicContact CG-CG 4.35Å; Y258-R262 WeakPolarHBondContact O-CG 3.21Å; Y258-R262 PolarHBondContact O-N 3.44Å; M259-R262 PolarHBondContact O-N 3.29Å; R262-Q264 PolarHBondContact O-N 3.28Å; R262-Q264 VanDerWaalsContact O-N 3.08Å; R262-D265 IonicContact NE-OD2 3.33Å; R262-D265 WeakPolarHBondContact O-CB 3.47Å; R262-D265 PolarHBondContact O-N 3.49Å; R262-A271 VanDerWaalsContact O-CA 3.31Å; R262-A271 WeakPolarHBondContact O-CA 3.35Å; R262-A274 VanDerWaalsContact C-CB 3.49Å; R262-A274 HydrophobicContact CB-CB 3.44Å; R262-A274 VanDerWaalsContact CB-CB 3.44Å |
| 263 | T | 98.2 | Very high | 96.5 | Very high | 8 Ų | 8 | 48.5 Ų | 48.5 | 5% | 0.049 | 25% | 0.251 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -16.5 | 170.1 | -50.7 | 0 | 0 | 0 | 0 | 112.1 | M259 A274 C275 W278 I301 | M259-T263 PolarHBondContact O-N 3.3Å; M259-T263 PolarHBondContact O-OG1 2.95Å; T263-A274 PolarHBondContact OG1-O 3.03Å; T263-C275 HydrophobicContact CG2-CB 3.98Å; T263-W278 PolarHBondContact OG1-NE1 3.32Å; T263-I301 HydrophobicContact CG2-CG2 3.72Å |
| 264 | Q | 97.3 | Very high | 96.6 | Very high | 121 Ų | 121 | 42.9 Ų | 42.9 | 57% | 0.565 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107 | 17 | 174.4 | -62.1 | 173.8 | 90.7 | 0 | 0 | 112.5 | L260 Q261 R262 I301 | L260-Q264 PolarHBondContact O-NE2 3.29Å; Q261-Q264 CarbonylContact O-C 3.57Å; Q261-Q264 PolarHBondContact O-N 2.78Å; R262-Q264 PolarHBondContact O-N 3.28Å; R262-Q264 VanDerWaalsContact O-N 3.08Å; Q264-I301 HydrophobicContact CG-CB 4.49Å; Q264-I301 HydrophobicContact CG-CD1 4.18Å; Q264-I301 HydrophobicContact CG-CG1 4Å; Q264-I301 HydrophobicContact CG-CG2 3.7Å |
| 265 | D | 97.1 | Very high | 96.8 | Very high | 17 Ų | 17 | 39 Ų | 39 | 9% | 0.091 | 20% | 0.198 | C | C | . | . | trans | -63.7 | 142 | 177.9 | -156.4 | -71.8 | 0 | 0 | 0 | 110 | R230 R262 D267 V270 | R230-D265 IonicContact CZ-OD2 3.36Å; R230-D265 IonicContact NE-OD2 3.71Å; R230-D265 PolarHBondContact NE-OD2 3.46Å; R230-D265 IonicContact NH2-OD1 2.72Å; R230-D265 PolarHBondContact NH2-OD1 3.25Å; R230-D265 IonicContact NH2-OD2 2.71Å; R230-D265 PolarHBondContact NH2-OD2 3.23Å; R262-D265 IonicContact NE-OD2 3.33Å; R262-D265 WeakPolarHBondContact O-CB 3.47Å; R262-D265 PolarHBondContact O-N 3.49Å; D265-D267 PolarHBondContact O-N 2.91Å; D265-D267 PolarHBondContact OD1-N 2.86Å; D265-D267 VanDerWaalsContact OD1-N 3.16Å; D265-V270 HydrophobicContact CB-CB 3.92Å; D265-V270 HydrophobicContact CB-CG1 3.78Å | ||
| 266 | P | 94.4 | Very high | 96.8 | Very high | 129 Ų | 129 | 41.2 Ų | 41.2 | 84% | 0.838 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -65.6 | -21.2 | 175.8 | 26.6 | -37.4 | 0 | 0 | 0 | 113.9 | ||
| 267 | D | 94.8 | Very high | 96.8 | Very high | 46 Ų | 46 | 41.1 Ų | 41.1 | 25% | 0.246 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -84.5 | 111.2 | 169.7 | -170.2 | -29.8 | 0 | 0 | 0 | 109.2 | S227 D265 N269 V270 A271 | S227-D267 WeakPolarHBondContact CB-OD2 3.19Å; S227-D267 PolarHBondContact OG-OD2 3.49Å; D265-D267 PolarHBondContact O-N 2.91Å; D265-D267 PolarHBondContact OD1-N 2.86Å; D265-D267 VanDerWaalsContact OD1-N 3.16Å; D267-N269 PolarHBondContact O-N 3.45Å; D267-N269 VanDerWaalsContact O-N 3.16Å; D267-N269 WeakPolarHBondContact OD1-CB 3.21Å; D267-N269 PolarHBondContact OD1-N 3.04Å; D267-N269 PolarHBondContact OD1-ND2 2.74Å; D267-V270 HydrophobicContact CB-CB 4.29Å; D267-V270 HydrophobicContact CB-CG2 3.93Å; D267-V270 WeakPolarHBondContact O-CB 3.45Å; D267-V270 PolarHBondContact O-N 3.33Å; D267-A271 PolarHBondContact O-N 3.03Å |
| 268 | E | 92.1 | Very high | 96.9 | Very high | 104 Ų | 104 | 38.5 Ų | 38.5 | 49% | 0.486 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -57.5 | -30.1 | -177.6 | -70.5 | -175.6 | 169.2 | 0 | 0 | 112.8 | A271 L272 | E268-A271 PolarHBondContact O-N 3.36Å; E268-L272 WeakPolarHBondContact O-CB 3.22Å; E268-L272 PolarHBondContact O-N 3.08Å |
| 269 | N | 93.6 | Very high | 96.7 | Very high | 96 Ų | 96 | 39 Ų | 39 | 51% | 0.513 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -69.2 | -36.3 | 177.3 | -56.1 | -73.2 | 0 | 0 | 0 | 111.6 | K231 D267 E273 | K231-N269 HydrophobicContact CD-CB 4.04Å; D267-N269 PolarHBondContact O-N 3.45Å; D267-N269 VanDerWaalsContact O-N 3.16Å; D267-N269 WeakPolarHBondContact OD1-CB 3.21Å; D267-N269 PolarHBondContact OD1-N 3.04Å; D267-N269 PolarHBondContact OD1-ND2 2.74Å; N269-E273 WeakPolarHBondContact O-CG 3.28Å; N269-E273 PolarHBondContact O-N 2.88Å |
| 270 | V | 97.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -70.4 | -41.3 | 174.7 | -180 | 0 | 0 | 0 | 0 | 110 | S227 R230 K231 D265 D267 A274 | S227-V270 VanDerWaalsContact O-CG2 3.29Å; S227-V270 WeakPolarHBondContact O-CG2 3.3Å; R230-V270 HydrophobicContact CB-CG1 3.93Å; R230-V270 HydrophobicContact CB-CG2 4.29Å; K231-V270 HydrophobicContact CB-CG2 4.14Å; D265-V270 HydrophobicContact CB-CB 3.92Å; D265-V270 HydrophobicContact CB-CG1 3.78Å; D267-V270 HydrophobicContact CB-CB 4.29Å; D267-V270 HydrophobicContact CB-CG2 3.93Å; D267-V270 WeakPolarHBondContact O-CB 3.45Å; D267-V270 PolarHBondContact O-N 3.33Å; V270-A274 VanDerWaalsContact O-CB 3.29Å; V270-A274 WeakPolarHBondContact O-CB 3.47Å; V270-A274 PolarHBondContact O-N 2.7Å |
| 271 | A | 97.7 | Very high | 96.5 | Very high | 2 Ų | 2 | 39.5 Ų | 39.5 | 2% | 0.017 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62 | -42.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R262 D267 E268 A274 C275 L374 | R262-A271 VanDerWaalsContact O-CA 3.31Å; R262-A271 WeakPolarHBondContact O-CA 3.35Å; D267-A271 PolarHBondContact O-N 3.03Å; E268-A271 PolarHBondContact O-N 3.36Å; A271-A274 PolarHBondContact O-N 2.87Å; A271-C275 VanDerWaalsContact O-CB 3.27Å; A271-C275 WeakPolarHBondContact O-CB 3.14Å; A271-C275 PolarHBondContact O-N 3.16Å; A271-L374 HydrophobicContact CB-CD1 4.21Å; A271-L374 HydrophobicContact CB-CD2 3.84Å |
| 272 | L | 96.3 | Very high | 96.5 | Very high | 26 Ų | 26 | 34.7 Ų | 34.7 | 14% | 0.136 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -59.6 | -54.9 | 175.7 | 174.3 | 55.6 | 0 | 0 | 0 | 111.5 | E268 A274 C275 E276 C377 | E268-L272 WeakPolarHBondContact O-CB 3.22Å; E268-L272 PolarHBondContact O-N 3.08Å; L272-A274 PolarHBondContact O-N 3.47Å; L272-C275 WeakPolarHBondContact O-CA 3.49Å; L272-C275 VanDerWaalsContact O-CB 3.31Å; L272-C275 WeakPolarHBondContact O-CB 3.46Å; L272-C275 PolarHBondContact O-N 3.47Å; L272-E276 PolarHBondContact O-N 3.21Å; L272-C377 HydrophobicContact CD1-CB 3.62Å |
| 273 | E | 96.9 | Very high | 96.2 | Very high | 29 Ų | 29 | 38.5 Ų | 38.5 | 14% | 0.136 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -65.5 | -26.7 | -177.7 | -66.3 | -97.8 | -159.2 | 0 | 0 | 112.3 | K231 C234 R235 V238 N269 | K231-E273 HydrophobicContact CD-CG 4.34Å; K231-E273 HydrophobicContact CG-CB 4.19Å; K231-E273 HydrophobicContact CG-CG 3.66Å; C234-E273 HydrophobicContact CB-CB 4.14Å; R235-E273 WeakPolarHBondContact CB-OE2 3.23Å; R235-E273 WeakPolarHBondContact CD-OE2 3.45Å; R235-E273 WeakPolarHBondContact CG-OE2 3.5Å; V238-E273 WeakPolarHBondContact CG2-O 3.28Å; N269-E273 WeakPolarHBondContact O-CG 3.28Å; N269-E273 PolarHBondContact O-N 2.88Å |
| 274 | A | 98.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -78.8 | -28.6 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | C234 M259 R262 T263 V270 A271 L272 F277 | C234-A274 HydrophobicContact CB-CB 4.34Å; M259-A274 HydrophobicContact SD-CB 4.22Å; R262-A274 VanDerWaalsContact C-CB 3.49Å; R262-A274 HydrophobicContact CB-CB 3.44Å; R262-A274 VanDerWaalsContact CB-CB 3.44Å; T263-A274 PolarHBondContact OG1-O 3.03Å; V270-A274 VanDerWaalsContact O-CB 3.29Å; V270-A274 WeakPolarHBondContact O-CB 3.47Å; V270-A274 PolarHBondContact O-N 2.7Å; A271-A274 PolarHBondContact O-N 2.87Å; L272-A274 PolarHBondContact O-N 3.47Å; A274-F277 VanDerWaalsContact O-CB 3.28Å; A274-F277 WeakPolarHBondContact O-CB 3.41Å; A274-F277 PolarHBondContact O-N 2.85Å |
| 275 | C | 98.3 | Very high | 95.7 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.2 | -35.1 | 178.2 | -165.8 | 0 | 0 | 0 | 0 | 111.6 | T263 A271 L272 F277 W278 L374 C377 | T263-C275 HydrophobicContact CG2-CB 3.98Å; A271-C275 VanDerWaalsContact O-CB 3.27Å; A271-C275 WeakPolarHBondContact O-CB 3.14Å; A271-C275 PolarHBondContact O-N 3.16Å; L272-C275 WeakPolarHBondContact O-CA 3.49Å; L272-C275 VanDerWaalsContact O-CB 3.31Å; L272-C275 WeakPolarHBondContact O-CB 3.46Å; L272-C275 PolarHBondContact O-N 3.47Å; C275-F277 PolarHBondContact O-N 3.26Å; C275-F277 VanDerWaalsContact O-N 3.11Å; C275-W278 WeakPolarHBondContact O-CB 3.42Å; C275-W278 PolarHBondContact O-N 2.99Å; C275-L374 HydrophobicContact CB-CD1 3.69Å; C275-C377 VanDerWaalsContact C-SG 3.56Å; C275-C377 HydrophobicContact CB-CB 4.44Å; C275-C377 VanDerWaalsContact SG-SG 3.61Å |
| 276 | E | 97.1 | Very high | 95.6 | Very high | 49 Ų | 49 | 41 Ų | 41 | 23% | 0.229 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.3 | -27.2 | 175.7 | -70.3 | -173.1 | -175.8 | 0 | 0 | 112.7 | V238 L272 W278 L279 T280 W372 C377 | V238-E276 HydrophobicContact CG1-CB 4.25Å; V238-E276 HydrophobicContact CG2-CB 4.28Å; L272-E276 PolarHBondContact O-N 3.21Å; E276-W278 PolarHBondContact O-N 2.63Å; E276-L279 WeakPolarHBondContact O-CB 3.45Å; E276-L279 PolarHBondContact O-N 2.92Å; E276-L279 VanDerWaalsContact O-N 3.16Å; E276-T280 PolarHBondContact O-N 3.07Å; E276-T280 PolarHBondContact O-OG1 2.9Å; E276-W372 PolarHBondContact OE1-NE1 2.95Å; E276-C377 PolarHBondContact N-SG 3.42Å; E276-C377 VanDerWaalsContact N-SG 3.45Å |
| 277 | F | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -55.4 | -36.5 | 172.8 | -178.7 | -95.4 | 0 | 0 | 0 | 112.9 | V238 L241 M252 I255 I256 M259 A274 C275 L281 | V238-F277 HydrophobicContact CG2-CB 3.91Å; L241-F277 HydrophobicContact CD2-CD2 3.91Å; L241-F277 HydrophobicContact CD2-CE2 3.73Å; L241-F277 HydrophobicContact CD2-CZ 4.24Å; M252-F277 HydrophobicContact SD-CZ 4.21Å; I255-F277 HydrophobicContact CG2-CE2 3.62Å; I255-F277 HydrophobicContact CG2-CZ 3.65Å; I256-F277 HydrophobicContact CG1-CE1 4.14Å; I256-F277 HydrophobicContact CG1-CZ 4.43Å; M259-F277 HydrophobicContact CB-CD1 3.9Å; M259-F277 HydrophobicContact CB-CE1 4.37Å; M259-F277 HydrophobicContact CB-CG 4.22Å; M259-F277 HydrophobicContact CE-CB 4.07Å; M259-F277 HydrophobicContact CE-CD2 3.68Å; M259-F277 HydrophobicContact CE-CE2 4.38Å; M259-F277 HydrophobicContact CE-CG 4Å; M259-F277 HydrophobicContact CG-CB 4.08Å; M259-F277 HydrophobicContact CG-CD1 3.74Å; M259-F277 HydrophobicContact CG-CD2 3.97Å; M259-F277 HydrophobicContact CG-CE1 4.14Å; M259-F277 HydrophobicContact CG-CE2 4.34Å; M259-F277 HydrophobicContact CG-CG 3.65Å; M259-F277 HydrophobicContact CG-CZ 4.43Å; M259-F277 HydrophobicContact SD-CB 4.33Å; M259-F277 HydrophobicContact SD-CG 4.4Å; A274-F277 VanDerWaalsContact O-CB 3.28Å; A274-F277 WeakPolarHBondContact O-CB 3.41Å; A274-F277 PolarHBondContact O-N 2.85Å; C275-F277 PolarHBondContact O-N 3.26Å; C275-F277 VanDerWaalsContact O-N 3.11Å; F277-L281 HydrophobicContact CD1-CD2 4.48Å; F277-L281 HydrophobicContact CE1-CB 4.45Å; F277-L281 HydrophobicContact CE1-CD2 3.68Å; F277-L281 HydrophobicContact CZ-CD2 4.11Å; F277-L281 WeakPolarHBondContact O-CB 3.48Å; F277-L281 PolarHBondContact O-N 2.83Å |
| 278 | W | 98.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -72.2 | -37.8 | -179.4 | -51.1 | 120.3 | 0 | 0 | 0 | 111.9 | I256 M259 L260 T263 C275 E276 A282 L291 L298 L302 A381 | I256-W278 HydrophobicContact CG1-CZ3 4.43Å; I256-W278 HydrophobicContact CG2-CH2 4.06Å; I256-W278 HydrophobicContact CG2-CZ3 4.14Å; M259-W278 HydrophobicContact CB-CH2 3.67Å; M259-W278 HydrophobicContact CB-CZ2 3.6Å; L260-W278 HydrophobicContact CB-CZ2 4.45Å; L260-W278 HydrophobicContact CD2-CH2 3.98Å; L260-W278 HydrophobicContact CD2-CZ2 3.87Å; L260-W278 HydrophobicContact CG-CH2 3.76Å; L260-W278 HydrophobicContact CG-CZ2 3.92Å; T263-W278 PolarHBondContact OG1-NE1 3.32Å; C275-W278 WeakPolarHBondContact O-CB 3.42Å; C275-W278 PolarHBondContact O-N 2.99Å; E276-W278 PolarHBondContact O-N 2.63Å; W278-A282 WeakPolarHBondContact O-CB 3.27Å; W278-A282 PolarHBondContact O-N 3.38Å; W278-L291 HydrophobicContact CE3-CD2 4.07Å; W278-L291 HydrophobicContact CZ3-CD2 3.77Å; W278-L298 HydrophobicContact CD2-CD1 3.57Å; W278-L298 HydrophobicContact CD2-CD2 4.02Å; W278-L298 HydrophobicContact CD2-CG 4.47Å; W278-L298 VanDerWaalsContact CE2-CD1 3.44Å; W278-L298 HydrophobicContact CE3-CD1 4.08Å; W278-L298 HydrophobicContact CE3-CD2 3.82Å; W278-L298 HydrophobicContact CG-CD1 3.91Å; W278-L298 HydrophobicContact CG-CD2 4.45Å; W278-L298 HydrophobicContact CH2-CD1 4.41Å; W278-L298 HydrophobicContact CZ2-CD1 3.89Å; W278-L298 HydrophobicContact CZ3-CD1 4.48Å; W278-L298 HydrophobicContact CZ3-CD2 4.32Å; W278-L302 HydrophobicContact CG-CD2 4.37Å; W278-A381 HydrophobicContact CB-CB 3.91Å |
| 279 | L | 94 | Very high | 95.7 | Very high | 35 Ų | 35 | 39.5 Ų | 39.5 | 18% | 0.183 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.7 | -56.6 | 175.7 | -170.7 | 69.7 | 0 | 0 | 0 | 109.8 | E276 L281 A282 E283 W372 A380 A381 V384 | E276-L279 WeakPolarHBondContact O-CB 3.45Å; E276-L279 PolarHBondContact O-N 2.92Å; E276-L279 VanDerWaalsContact O-N 3.16Å; L279-L281 VanDerWaalsContact C-N 3.3Å; L279-L281 PolarHBondContact O-N 3.2Å; L279-A282 WeakPolarHBondContact O-CB 3.42Å; L279-A282 PolarHBondContact O-N 3.22Å; L279-E283 PolarHBondContact O-N 2.91Å; L279-W372 HydrophobicContact CD2-CZ2 4.43Å; L279-A380 HydrophobicContact CD1-CB 3.92Å; L279-A381 HydrophobicContact CB-CB 4.44Å; L279-V384 HydrophobicContact CD1-CG2 3.73Å |
| 280 | T | 95.6 | Very high | 95.8 | Very high | 17 Ų | 17 | 35.7 Ų | 35.7 | 10% | 0.104 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.6 | -35.8 | 178.8 | -51 | 0 | 0 | 0 | 0 | 112.4 | V238 L241 E242 E276 A282 Q284 | V238-T280 WeakPolarHBondContact CG1-OG1 3.45Å; L241-T280 HydrophobicContact CB-CG2 4.29Å; L241-T280 HydrophobicContact CD2-CG2 3.99Å; L241-T280 HydrophobicContact CG-CG2 4.19Å; E242-T280 HydrophobicContact CB-CG2 4.16Å; E276-T280 PolarHBondContact O-N 3.07Å; E276-T280 PolarHBondContact O-OG1 2.9Å; T280-A282 VanDerWaalsContact C-N 3.34Å; T280-Q284 WeakPolarHBondContact O-CG 3.31Å |
| 281 | L | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -69.1 | -32.7 | 176.8 | -175.5 | 58.1 | 0 | 0 | 0 | 112.4 | L241 F277 L279 E283 Q284 I286 C287 L291 | L241-L281 HydrophobicContact CD1-CD1 4.06Å; L241-L281 HydrophobicContact CD2-CB 3.68Å; L241-L281 HydrophobicContact CD2-CD1 4.13Å; L241-L281 HydrophobicContact CD2-CG 4.47Å; F277-L281 HydrophobicContact CD1-CD2 4.48Å; F277-L281 HydrophobicContact CE1-CB 4.45Å; F277-L281 HydrophobicContact CE1-CD2 3.68Å; F277-L281 HydrophobicContact CZ-CD2 4.11Å; F277-L281 WeakPolarHBondContact O-CB 3.48Å; F277-L281 PolarHBondContact O-N 2.83Å; L279-L281 VanDerWaalsContact C-N 3.3Å; L279-L281 PolarHBondContact O-N 3.2Å; L281-E283 VanDerWaalsContact C-N 3.28Å; L281-E283 PolarHBondContact O-N 3.46Å; L281-Q284 HydrophobicContact CD1-CB 4.44Å; L281-Q284 WeakPolarHBondContact O-CB 3.45Å; L281-Q284 PolarHBondContact O-N 3.23Å; L281-Q284 VanDerWaalsContact O-N 3.11Å; L281-I286 HydrophobicContact CD1-CG2 4.48Å; L281-C287 VanDerWaalsContact O-CB 3.22Å; L281-C287 WeakPolarHBondContact O-CB 3.18Å; L281-L291 HydrophobicContact CD2-CD1 3.88Å; L281-L291 HydrophobicContact CD2-CD2 3.77Å; L281-L291 HydrophobicContact CD2-CG 3.68Å; L281-L291 HydrophobicContact CG-CD1 4.32Å; L281-L291 HydrophobicContact CG-CG 4.46Å |
| 282 | A | 95.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 38.4 Ų | 38.4 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.1 | -32.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | W278 L279 T280 Q284 V384 L385 V388 | W278-A282 WeakPolarHBondContact O-CB 3.27Å; W278-A282 PolarHBondContact O-N 3.38Å; L279-A282 WeakPolarHBondContact O-CB 3.42Å; L279-A282 PolarHBondContact O-N 3.22Å; T280-A282 VanDerWaalsContact C-N 3.34Å; A282-Q284 PolarHBondContact O-N 3.11Å; A282-V384 HydrophobicContact CB-CB 3.9Å; A282-V384 HydrophobicContact CB-CG1 3.44Å; A282-V384 VanDerWaalsContact CB-CG1 3.44Å; A282-L385 HydrophobicContact CB-CD2 4.08Å; A282-L385 HydrophobicContact CB-CG 4.28Å; A282-V388 WeakPolarHBondContact O-CG2 3.47Å |
| 283 | E | 91.8 | Very high | 95.4 | Very high | 125 Ų | 125 | 40.4 Ų | 40.4 | 58% | 0.584 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -16.4 | 174.5 | -65.2 | 165 | -169.9 | 0 | 0 | 113.3 | L279 L281 | L279-E283 PolarHBondContact O-N 2.91Å; L281-E283 VanDerWaalsContact C-N 3.28Å; L281-E283 PolarHBondContact O-N 3.46Å |
| 284 | Q | 93.5 | Very high | 95.4 | Very high | 34 Ų | 34 | 39.9 Ų | 39.9 | 16% | 0.159 | 23% | 0.228 | C | C | . | . | S | Bend | trans | -81.7 | 138.7 | -177.2 | -58.6 | -60.5 | -42.3 | 0 | 0 | 111.6 | L241 I245 T280 L281 A282 I286 C287 | L241-Q284 HydrophobicContact CG-CG 4.37Å; I245-Q284 HydrophobicContact CD1-CB 3.88Å; I245-Q284 HydrophobicContact CD1-CG 3.77Å; T280-Q284 WeakPolarHBondContact O-CG 3.31Å; L281-Q284 HydrophobicContact CD1-CB 4.44Å; L281-Q284 WeakPolarHBondContact O-CB 3.45Å; L281-Q284 PolarHBondContact O-N 3.23Å; L281-Q284 VanDerWaalsContact O-N 3.11Å; A282-Q284 PolarHBondContact O-N 3.11Å; Q284-I286 HydrophobicContact CB-CG2 4.24Å; Q284-I286 PolarHBondContact O-N 2.86Å; Q284-C287 WeakPolarHBondContact O-CB 3.4Å; Q284-C287 PolarHBondContact O-N 3.5Å |
| 285 | P | 91.9 | Very high | 95.2 | Very high | 130 Ų | 130 | 40.2 Ų | 40.2 | 84% | 0.844 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -25.6 | 178.6 | -26.6 | 33.9 | 0 | 0 | 0 | 114.9 | C287 | P285-C287 VanDerWaalsContact C-N 3.31Š|
| 286 | I | 94.5 | Very high | 95.1 | Very high | 35 Ų | 35 | 45 Ų | 45 | 18% | 0.179 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -7.7 | 178.6 | -162.2 | 172.4 | 0 | 0 | 0 | 113.2 | I245 I249 L281 Q284 K288 E289 A290 | I245-I286 HydrophobicContact CD1-CG2 3.61Å; I249-I286 HydrophobicContact CD1-CD1 4.17Å; I249-I286 HydrophobicContact CG1-CD1 3.91Å; L281-I286 HydrophobicContact CD1-CG2 4.48Å; Q284-I286 HydrophobicContact CB-CG2 4.24Å; Q284-I286 PolarHBondContact O-N 2.86Å; I286-K288 VanDerWaalsContact C-N 3.29Å; I286-K288 PolarHBondContact O-N 2.82Å; I286-K288 VanDerWaalsContact O-N 3.15Å; I286-E289 HydrophobicContact CG1-CB 4.2Å; I286-E289 PolarHBondContact O-N 3.33Å; I286-A290 PolarHBondContact O-N 2.96Å |
| 287 | C | 95.6 | Very high | 95.1 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.014 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -44.5 | -54.1 | -173.8 | 179.6 | 0 | 0 | 0 | 0 | 112.4 | L281 Q284 P285 E289 A290 L291 V388 | L281-C287 VanDerWaalsContact O-CB 3.22Å; L281-C287 WeakPolarHBondContact O-CB 3.18Å; Q284-C287 WeakPolarHBondContact O-CB 3.4Å; Q284-C287 PolarHBondContact O-N 3.5Å; P285-C287 VanDerWaalsContact C-N 3.31Å; C287-E289 PolarHBondContact O-N 3.01Å; C287-A290 PolarHBondContact O-N 3.16Å; C287-L291 WeakPolarHBondContact O-CB 3.39Å; C287-L291 PolarHBondContact O-N 3.49Å; C287-V388 HydrophobicContact CB-CG1 4.29Å |
| 288 | K | 94.3 | Very high | 95 | Very high | 81 Ų | 81 | 47.6 Ų | 47.6 | 35% | 0.352 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.2 | -44.8 | -176.2 | -167.5 | 164.1 | -173.8 | 165.9 | 0 | 112 | I286 S292 F389 E392 | I286-K288 VanDerWaalsContact C-N 3.29Å; I286-K288 PolarHBondContact O-N 2.82Å; I286-K288 VanDerWaalsContact O-N 3.15Å; K288-S292 VanDerWaalsContact O-CB 3.31Å; K288-S292 WeakPolarHBondContact O-CB 3.3Å; K288-S292 PolarHBondContact O-N 3.13Å; K288-S292 VanDerWaalsContact O-N 3.17Å; K288-S292 PolarHBondContact O-OG 2.84Å; K288-F389 HydrophobicContact CB-CE1 4.35Å; K288-F389 HydrophobicContact CB-CZ 4.43Å; K288-F389 HydrophobicContact CG-CD1 4.3Å; K288-F389 HydrophobicContact CG-CE1 3.77Å; K288-F389 HydrophobicContact CG-CZ 4.33Å; K288-E392 WeakPolarHBondContact CE-OE1 3.29Å; K288-E392 WeakPolarHBondContact CE-OE2 3.4Å; K288-E392 VanDerWaalsContact NZ-CD 3.29Å; K288-E392 IonicContact NZ-OE1 3.5Å; K288-E392 PolarHBondContact NZ-OE1 3.01Å; K288-E392 IonicContact NZ-OE2 2.7Å; K288-E392 PolarHBondContact NZ-OE2 2.92Å |
| 289 | E | 94.3 | Very high | 95 | Very high | 163 Ų | 163 | 47.6 Ų | 47.6 | 76% | 0.762 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.6 | -44 | 177.5 | -174.9 | -179.1 | 168.6 | 0 | 0 | 111.6 | I286 C287 | I286-E289 HydrophobicContact CG1-CB 4.2Å; I286-E289 PolarHBondContact O-N 3.33Å; C287-E289 PolarHBondContact O-N 3.01Å |
| 290 | A | 95.1 | Very high | 95.2 | Very high | 16 Ų | 16 | 48.6 Ų | 48.6 | 13% | 0.132 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.7 | -40.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | M252 I256 I286 C287 H294 | M252-A290 HydrophobicContact CG-CB 4Å; I256-A290 HydrophobicContact CD1-CB 4.05Å; I256-A290 WeakPolarHBondContact CD1-O 3.48Å; I286-A290 PolarHBondContact O-N 2.96Å; C287-A290 PolarHBondContact O-N 3.16Å; A290-H294 PolarHBondContact O-ND1 3.44Å |
| 291 | L | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -95.4 | -19 | -171.5 | -72.7 | -176.4 | 0 | 0 | 0 | 115.2 | I256 W278 L281 C287 G293 H294 L295 L298 L385 F389 | I256-L291 HydrophobicContact CD1-CD2 4.09Å; I256-L291 HydrophobicContact CG1-CD2 4.37Å; I256-L291 HydrophobicContact CG2-CD2 4.33Å; W278-L291 HydrophobicContact CE3-CD2 4.07Å; W278-L291 HydrophobicContact CZ3-CD2 3.77Å; L281-L291 HydrophobicContact CD2-CD1 3.88Å; L281-L291 HydrophobicContact CD2-CD2 3.77Å; L281-L291 HydrophobicContact CD2-CG 3.68Å; L281-L291 HydrophobicContact CG-CD1 4.32Å; L281-L291 HydrophobicContact CG-CG 4.46Å; C287-L291 WeakPolarHBondContact O-CB 3.39Å; C287-L291 PolarHBondContact O-N 3.49Å; L291-G293 PolarHBondContact O-N 3.01Å; L291-H294 WeakPolarHBondContact O-CA 3.44Å; L291-H294 PolarHBondContact O-N 2.94Å; L291-L295 HydrophobicContact CB-CD2 4.4Å; L291-L295 PolarHBondContact O-N 3.26Å; L291-L295 VanDerWaalsContact O-N 3.11Å; L291-L298 HydrophobicContact CD1-CD2 4.15Å; L291-L298 HydrophobicContact CD2-CD2 4.22Å; L291-L385 HydrophobicContact CD1-CD2 3.72Å; L291-F389 HydrophobicContact CB-CE2 4.4Å; L291-F389 HydrophobicContact CB-CZ 3.96Å |
| 292 | S | 92.9 | Very high | 95.4 | Very high | 60 Ų | 60 | 48.8 Ų | 48.8 | 42% | 0.42 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -40 | -176.5 | -73.6 | 0 | 0 | 0 | 0 | 113.6 | K288 H294 | K288-S292 VanDerWaalsContact O-CB 3.31Å; K288-S292 WeakPolarHBondContact O-CB 3.3Å; K288-S292 PolarHBondContact O-N 3.13Å; K288-S292 VanDerWaalsContact O-N 3.17Å; K288-S292 PolarHBondContact O-OG 2.84Å; S292-H294 VanDerWaalsContact C-N 3.26Å; S292-H294 PolarHBondContact O-N 3.39Å |
| 293 | G | 94.4 | Very high | 95.5 | Very high | 68 Ų | 68 | 48.9 Ų | 48.9 | 70% | 0.701 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -8.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | L291 | L291-G293 PolarHBondContact O-N 3.01Š|
| 294 | H | 96.1 | Very high | 95.8 | Very high | 18 Ų | 18 | 47.4 Ų | 47.4 | 8% | 0.083 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.4 | -11 | -170.8 | -58.5 | 99.4 | 0 | 0 | 0 | 113.6 | H253 I256 Q257 L260 A290 L291 S292 V296 Q297 L298 | H253-H294 AromaticContact CE1-NE2 3.45Å; H253-H294 PolarHBondContact CE1-NE2 3.22Å; H253-H294 AromaticContact ND1-CE1 3.47Å; H253-H294 PolarHBondContact ND1-CE1 2.92Å; H253-H294 AromaticContact ND1-NE2 3.26Å; H253-H294 PolarHBondContact ND1-NE2 3.04Å; I256-H294 HydrophobicContact CG2-CB 4.1Å; Q257-H294 PolarHBondContact NE2-CD2 3.2Å; Q257-H294 PolarHBondContact NE2-NE2 3.37Å; L260-H294 HydrophobicContact CD1-CB 4.42Å; A290-H294 PolarHBondContact O-ND1 3.44Å; L291-H294 WeakPolarHBondContact O-CA 3.44Å; L291-H294 PolarHBondContact O-N 2.94Å; S292-H294 VanDerWaalsContact C-N 3.26Å; S292-H294 PolarHBondContact O-N 3.39Å; H294-V296 VanDerWaalsContact C-N 3.27Å; H294-V296 PolarHBondContact O-N 3.06Å; H294-Q297 PolarHBondContact O-N 3.17Å; H294-L298 PolarHBondContact O-N 3.39Å |
| 295 | L | 95 | Very high | 95.9 | Very high | 7 Ų | 7 | 46.4 Ų | 46.4 | 4% | 0.037 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -52.1 | -41.5 | -178.2 | -68.3 | -179.5 | 0 | 0 | 0 | 113.6 | L291 Q297 L298 I299 F389 L393 | L291-L295 HydrophobicContact CB-CD2 4.4Å; L291-L295 PolarHBondContact O-N 3.26Å; L291-L295 VanDerWaalsContact O-N 3.11Å; L295-Q297 PolarHBondContact O-N 3.18Å; L295-Q297 VanDerWaalsContact O-N 3.12Å; L295-L298 PolarHBondContact O-N 2.73Å; L295-I299 WeakPolarHBondContact O-CB 3.35Å; L295-I299 VanDerWaalsContact O-CG1 3.28Å; L295-I299 WeakPolarHBondContact O-CG1 3.36Å; L295-I299 PolarHBondContact O-N 3.39Å; L295-F389 HydrophobicContact CD1-CD1 3.72Å; L295-F389 HydrophobicContact CD1-CE1 3.66Å; L295-F389 HydrophobicContact CD1-CG 4.24Å; L295-F389 HydrophobicContact CD1-CZ 4.16Å; L295-F389 HydrophobicContact CD2-CD2 4.3Å; L295-F389 HydrophobicContact CD2-CE1 4.32Å; L295-F389 HydrophobicContact CD2-CE2 3.95Å; L295-F389 HydrophobicContact CD2-CZ 3.95Å; L295-F389 HydrophobicContact CG-CE1 4.33Å; L295-F389 HydrophobicContact CG-CZ 4.37Å; L295-L393 HydrophobicContact CD2-CD1 4.38Å |
| 296 | V | 95.5 | Very high | 96.1 | Very high | 100 Ų | 100 | 40.2 Ų | 40.2 | 61% | 0.606 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -57.6 | -30 | 179.4 | 178.7 | 0 | 0 | 0 | 0 | 112.2 | H294 P300 H396 | H294-V296 VanDerWaalsContact C-N 3.27Å; H294-V296 PolarHBondContact O-N 3.06Å; V296-P300 VanDerWaalsContact O-CD 3.31Å; V296-P300 WeakPolarHBondContact O-CD 3.25Å; V296-P300 WeakPolarHBondContact O-CG 3.34Å; V296-H396 VanDerWaalsContact CG2-CE1 3.44Å; V296-H396 WeakPolarHBondContact CG2-CE1 3.24Å |
| 297 | Q | 96.8 | Very high | 96.2 | Very high | 103 Ų | 103 | 41.6 Ų | 41.6 | 48% | 0.481 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -91.9 | -42.8 | 177.8 | -61.4 | 178 | 28 | 0 | 0 | 111.6 | H294 L295 P300 I301 | H294-Q297 PolarHBondContact O-N 3.17Å; L295-Q297 PolarHBondContact O-N 3.18Å; L295-Q297 VanDerWaalsContact O-N 3.12Å; Q297-P300 WeakPolarHBondContact O-CD 3.31Å; Q297-I301 VanDerWaalsContact O-CD1 3.27Å; Q297-I301 WeakPolarHBondContact O-CD1 3.44Å; Q297-I301 VanDerWaalsContact O-CG1 3.32Å; Q297-I301 WeakPolarHBondContact O-CG1 3.33Å |
| 298 | L | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.9 | -46.3 | -175.7 | 179.9 | 56.8 | 0 | 0 | 0 | 112.5 | L260 W278 L291 H294 L295 I301 L302 L385 | L260-L298 HydrophobicContact CD2-CB 3.9Å; L260-L298 HydrophobicContact CD2-CD1 3.82Å; L260-L298 HydrophobicContact CD2-CG 4.44Å; W278-L298 HydrophobicContact CD2-CD1 3.57Å; W278-L298 HydrophobicContact CD2-CD2 4.02Å; W278-L298 HydrophobicContact CD2-CG 4.47Å; W278-L298 VanDerWaalsContact CE2-CD1 3.44Å; W278-L298 HydrophobicContact CE3-CD1 4.08Å; W278-L298 HydrophobicContact CE3-CD2 3.82Å; W278-L298 HydrophobicContact CG-CD1 3.91Å; W278-L298 HydrophobicContact CG-CD2 4.45Å; W278-L298 HydrophobicContact CH2-CD1 4.41Å; W278-L298 HydrophobicContact CZ2-CD1 3.89Å; W278-L298 HydrophobicContact CZ3-CD1 4.48Å; W278-L298 HydrophobicContact CZ3-CD2 4.32Å; L291-L298 HydrophobicContact CD1-CD2 4.15Å; L291-L298 HydrophobicContact CD2-CD2 4.22Å; H294-L298 PolarHBondContact O-N 3.39Å; L295-L298 PolarHBondContact O-N 2.73Å; L298-I301 WeakPolarHBondContact O-CA 3.29Å; L298-I301 WeakPolarHBondContact O-CB 3.37Å; L298-I301 PolarHBondContact O-N 2.68Å; L298-L302 HydrophobicContact CD1-CD1 4.07Å; L298-L302 HydrophobicContact CD1-CD2 4.15Å; L298-L302 HydrophobicContact CD1-CG 3.85Å; L298-L302 HydrophobicContact CD2-CD1 4.42Å; L298-L302 HydrophobicContact CG-CD1 3.94Å; L298-L302 HydrophobicContact CG-CG 4.15Å; L298-L302 PolarHBondContact O-N 3.28Å; L298-L385 HydrophobicContact CD2-CD1 3.99Å |
| 299 | I | 97.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.9 | -47.3 | -172.4 | -63 | -61.3 | 0 | 0 | 0 | 112.6 | L295 I301 L302 V303 L382 L393 H396 L397 L400 | L295-I299 WeakPolarHBondContact O-CB 3.35Å; L295-I299 VanDerWaalsContact O-CG1 3.28Å; L295-I299 WeakPolarHBondContact O-CG1 3.36Å; L295-I299 PolarHBondContact O-N 3.39Å; I299-I301 PolarHBondContact O-N 2.89Å; I299-L302 PolarHBondContact O-N 2.91Å; I299-V303 HydrophobicContact CG2-CG2 4.24Å; I299-V303 WeakPolarHBondContact O-CB 3.43Å; I299-V303 VanDerWaalsContact O-CG2 3.23Å; I299-V303 WeakPolarHBondContact O-CG2 3.31Å; I299-V303 PolarHBondContact O-N 2.81Å; I299-L382 HydrophobicContact CD1-CD1 3.72Å; I299-L393 HydrophobicContact CD1-CD1 3.49Å; I299-L393 VanDerWaalsContact CD1-CD1 3.49Å; I299-L393 HydrophobicContact CD1-CD2 4.47Å; I299-L393 HydrophobicContact CD1-CG 4.22Å; I299-L393 HydrophobicContact CG1-CD1 3.99Å; I299-H396 HydrophobicContact CB-CB 4.49Å; I299-H396 HydrophobicContact CG1-CB 4.43Å; I299-H396 HydrophobicContact CG2-CB 4.43Å; I299-L397 HydrophobicContact CG2-CD2 3.39Å; I299-L397 HydrophobicContact CG2-CG 3.82Å; I299-L400 HydrophobicContact CG2-CD1 4.18Å |
| 300 | P | 97.9 | Very high | 95.5 | Very high | 56 Ų | 56 | 40.6 Ų | 40.6 | 36% | 0.364 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.6 | -31.5 | 172.7 | -24.9 | 33.2 | 0 | 0 | 0 | 114.5 | V296 Q297 N304 L400 | V296-P300 VanDerWaalsContact O-CD 3.31Å; V296-P300 WeakPolarHBondContact O-CD 3.25Å; V296-P300 WeakPolarHBondContact O-CG 3.34Å; Q297-P300 WeakPolarHBondContact O-CD 3.31Å; P300-N304 WeakPolarHBondContact O-CB 3.23Å; P300-N304 PolarHBondContact O-N 2.79Å; P300-L400 HydrophobicContact CB-CD1 4.43Å; P300-L400 HydrophobicContact CG-CD1 4.22Å |
| 301 | I | 98.3 | Very high | 95 | Very high | 21 Ų | 21 | 44.7 Ų | 44.7 | 11% | 0.108 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -70 | -51 | 179.2 | -65.5 | 164 | 0 | 0 | 0 | 109.9 | L260 T263 Q264 Q297 L298 I299 V303 N304 G305 | L260-I301 HydrophobicContact CD2-CD1 3.75Å; T263-I301 HydrophobicContact CG2-CG2 3.72Å; Q264-I301 HydrophobicContact CG-CB 4.49Å; Q264-I301 HydrophobicContact CG-CD1 4.18Å; Q264-I301 HydrophobicContact CG-CG1 4Å; Q264-I301 HydrophobicContact CG-CG2 3.7Å; Q297-I301 VanDerWaalsContact O-CD1 3.27Å; Q297-I301 WeakPolarHBondContact O-CD1 3.44Å; Q297-I301 VanDerWaalsContact O-CG1 3.32Å; Q297-I301 WeakPolarHBondContact O-CG1 3.33Å; L298-I301 WeakPolarHBondContact O-CA 3.29Å; L298-I301 WeakPolarHBondContact O-CB 3.37Å; L298-I301 PolarHBondContact O-N 2.68Å; I299-I301 PolarHBondContact O-N 2.89Å; I301-V303 PolarHBondContact O-N 2.95Å; I301-N304 PolarHBondContact O-N 3.33Å; I301-N304 VanDerWaalsContact O-N 3.14Å; I301-G305 PolarHBondContact O-N 3.39Å |
| 302 | L | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 177.5 | -63.6 | -179.8 | 0 | 0 | 0 | 110.9 | W278 L298 I299 N304 G305 M306 S378 A381 L385 | W278-L302 HydrophobicContact CG-CD2 4.37Å; L298-L302 HydrophobicContact CD1-CD1 4.07Å; L298-L302 HydrophobicContact CD1-CD2 4.15Å; L298-L302 HydrophobicContact CD1-CG 3.85Å; L298-L302 HydrophobicContact CD2-CD1 4.42Å; L298-L302 HydrophobicContact CG-CD1 3.94Å; L298-L302 HydrophobicContact CG-CG 4.15Å; L298-L302 PolarHBondContact O-N 3.28Å; I299-L302 PolarHBondContact O-N 2.91Å; L302-N304 PolarHBondContact O-N 2.58Å; L302-G305 WeakPolarHBondContact O-CA 3.46Å; L302-G305 PolarHBondContact O-N 2.81Å; L302-M306 VanDerWaalsContact O-CG 3.29Å; L302-M306 WeakPolarHBondContact O-CG 3.47Å; L302-M306 PolarHBondContact O-N 3.27Å; L302-S378 WeakPolarHBondContact O-CB 3.35Å; L302-A381 HydrophobicContact CD1-CB 4.36Å; L302-A381 HydrophobicContact CD2-CB 4.33Å; L302-L385 HydrophobicContact CD1-CD1 3.68Å |
| 303 | V | 98 | Very high | 94 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -58 | -33.6 | 177.3 | 168.7 | 0 | 0 | 0 | 0 | 112.1 | I299 I301 L382 L397 L400 L404 V419 | I299-V303 HydrophobicContact CG2-CG2 4.24Å; I299-V303 WeakPolarHBondContact O-CB 3.43Å; I299-V303 VanDerWaalsContact O-CG2 3.23Å; I299-V303 WeakPolarHBondContact O-CG2 3.31Å; I299-V303 PolarHBondContact O-N 2.81Å; I301-V303 PolarHBondContact O-N 2.95Å; V303-L382 HydrophobicContact CG2-CD2 4.3Å; V303-L397 HydrophobicContact CG2-CD2 3.92Å; V303-L400 HydrophobicContact CB-CD1 4.42Å; V303-L400 HydrophobicContact CG1-CD1 4.44Å; V303-L400 HydrophobicContact CG2-CD1 4.21Å; V303-L404 HydrophobicContact CG1-CD1 3.55Å; V303-V419 HydrophobicContact CB-CG2 4.43Å; V303-V419 HydrophobicContact CG1-CG2 4.12Å; V303-V419 HydrophobicContact CG2-CG1 4.37Å; V303-V419 HydrophobicContact CG2-CG2 4Å |
| 304 | N | 97.1 | Very high | 93.5 | Very high | 95 Ų | 95 | 47.4 Ų | 47.4 | 51% | 0.508 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -74.7 | -38.1 | 174.4 | -175.6 | 73.7 | 0 | 0 | 0 | 112.8 | P300 I301 L302 M306 K307 | P300-N304 WeakPolarHBondContact O-CB 3.23Å; P300-N304 PolarHBondContact O-N 2.79Å; I301-N304 PolarHBondContact O-N 3.33Å; I301-N304 VanDerWaalsContact O-N 3.14Å; L302-N304 PolarHBondContact O-N 2.58Å; N304-M306 PolarHBondContact O-N 3.08Å; N304-K307 PolarHBondContact O-N 2.96Å; N304-K307 PolarHBondContact OD1-NZ 2.96Å |
| 305 | G | 96.6 | Very high | 92.7 | Very high | 12 Ų | 12 | 51 Ų | 51 | 12% | 0.124 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -63.8 | -23.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | I301 L302 K307 R375 | I301-G305 PolarHBondContact O-N 3.39Å; L302-G305 WeakPolarHBondContact O-CA 3.46Å; L302-G305 PolarHBondContact O-N 2.81Å; G305-K307 PolarHBondContact O-N 3.37Å; G305-R375 VanDerWaalsContact O-CA 3.22Å; G305-R375 WeakPolarHBondContact O-CA 3.45Å |
| 306 | M | 96.7 | Very high | 91.8 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.2 | -1.3 | 177.4 | -69.3 | 169.2 | 75.9 | 0 | 0 | 114.9 | L302 N304 R375 A379 L382 L418 V419 A422 | L302-M306 VanDerWaalsContact O-CG 3.29Å; L302-M306 WeakPolarHBondContact O-CG 3.47Å; L302-M306 PolarHBondContact O-N 3.27Å; N304-M306 PolarHBondContact O-N 3.08Å; M306-R375 PolarHBondContact O-NH1 2.61Å; M306-A379 HydrophobicContact CE-CB 3.78Å; M306-A379 HydrophobicContact CG-CB 4.22Å; M306-L382 HydrophobicContact CE-CD2 4.19Å; M306-L382 HydrophobicContact SD-CB 4.38Å; M306-L382 HydrophobicContact SD-CD2 3.67Å; M306-L418 HydrophobicContact CB-CD2 4.13Å; M306-L418 HydrophobicContact CE-CB 4.32Å; M306-L418 HydrophobicContact CE-CD2 3.79Å; M306-L418 HydrophobicContact CE-CG 3.54Å; M306-V419 HydrophobicContact CE-CB 4.23Å; M306-V419 HydrophobicContact CE-CG2 3.53Å; M306-V419 HydrophobicContact SD-CG2 3.59Å; M306-V419 VanDerWaalsContact SD-CG2 3.59Å; M306-A422 HydrophobicContact CE-CB 4.19Å |
| 307 | K | 95.8 | Very high | 90.8 | Very high | 65 Ų | 65 | 53 Ų | 53 | 28% | 0.283 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -78.8 | 146.6 | 174.3 | -67.2 | 169.4 | -170.4 | 162.8 | 0 | 110.3 | N304 G305 S309 V411 | N304-K307 PolarHBondContact O-N 2.96Å; N304-K307 PolarHBondContact OD1-NZ 2.96Å; G305-K307 PolarHBondContact O-N 3.37Å; K307-S309 PolarHBondContact O-N 2.91Å; K307-V411 HydrophobicContact CB-CG1 4.28Å |
| 308 | Y | 91.7 | Very high | 89.2 | Confident | 38 Ų | 38 | 48.3 Ų | 48.3 | 15% | 0.149 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -60 | 136.9 | 169 | -77.1 | -65.6 | 0 | 0 | 0 | 111.1 | D312 L316 R375 W410 E414 L452 | Y308-D312 HydrophobicContact CD1-CB 3.79Å; Y308-L316 HydrophobicContact CD1-CD1 4.1Å; Y308-L316 HydrophobicContact CE1-CD1 3.42Å; Y308-L316 VanDerWaalsContact CE1-CD1 3.42Å; Y308-R375 VanDerWaalsContact CD2-NH1 3.34Å; Y308-R375 VanDerWaalsContact CZ-CZ 3.41Å; Y308-R375 VanDerWaalsContact CZ-NH2 3.3Å; Y308-R375 PolarHBondContact OH-NH2 2.65Å; Y308-W410 HydrophobicContact CD2-CZ3 4.38Å; Y308-E414 HydrophobicContact CE2-CG 4.19Å; Y308-L452 HydrophobicContact CE2-CB 4.48Å; Y308-L452 HydrophobicContact CE2-CD1 4.29Å |
| 309 | S | 90 | Very high | 88 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -70.9 | 161 | 167.5 | 73.8 | 0 | 0 | 0 | 0 | 110.3 | K307 I311 D312 I313 | K307-S309 PolarHBondContact O-N 2.91Å; S309-I311 PolarHBondContact O-N 3.36Å; S309-I311 PolarHBondContact OG-N 3.23Å; S309-D312 WeakPolarHBondContact CB-OD2 3.38Å; S309-D312 PolarHBondContact N-OD2 3.24Å; S309-D312 PolarHBondContact O-N 2.85Å; S309-D312 PolarHBondContact OG-N 2.99Å; S309-D312 PolarHBondContact OG-OD2 3.47Å; S309-I313 VanDerWaalsContact O-CG1 3.31Å; S309-I313 WeakPolarHBondContact O-CG1 3.09Å; S309-I313 PolarHBondContact O-N 3.5Å |
| 310 | E | 87 | Confident | 87.2 | Confident | 164 Ų | 164 | 57 Ų | 57 | 77% | 0.766 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.5 | -33.2 | 174.1 | -67.5 | -174.3 | 173.8 | 0 | 0 | 111.6 | I314 | E310-I314 WeakPolarHBondContact O-CD1 3.43Å; E310-I314 VanDerWaalsContact O-CG1 3.28Å; E310-I314 WeakPolarHBondContact O-CG1 3.37Å; E310-I314 PolarHBondContact O-N 3.46Å |
| 311 | I | 84.7 | Confident | 86.7 | Confident | 102 Ų | 102 | 56.7 Ų | 56.7 | 52% | 0.523 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -67.6 | -46 | 178.2 | -62.6 | 169.9 | 0 | 0 | 0 | 109.8 | S309 I313 I314 L315 | S309-I311 PolarHBondContact O-N 3.36Å; S309-I311 PolarHBondContact OG-N 3.23Å; I311-I313 VanDerWaalsContact C-N 3.33Å; I311-I313 PolarHBondContact O-N 3.02Å; I311-I314 WeakPolarHBondContact O-CB 3.37Å; I311-I314 PolarHBondContact O-N 3.35Å; I311-I314 VanDerWaalsContact O-N 3.11Å; I311-L315 HydrophobicContact CG2-CD1 3.76Å; I311-L315 HydrophobicContact CG2-CG 4.15Å; I311-L315 WeakPolarHBondContact O-CG 3.36Å; I311-L315 PolarHBondContact O-N 3.42Å |
| 312 | D | 83.4 | Confident | 86.2 | Confident | 21 Ų | 21 | 63.2 Ų | 63.2 | 11% | 0.112 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 177 | -60.2 | -39.2 | 0 | 0 | 0 | 111 | Y308 S309 I314 L315 L316 | Y308-D312 HydrophobicContact CD1-CB 3.79Å; S309-D312 WeakPolarHBondContact CB-OD2 3.38Å; S309-D312 PolarHBondContact N-OD2 3.24Å; S309-D312 PolarHBondContact O-N 2.85Å; S309-D312 PolarHBondContact OG-N 2.99Å; S309-D312 PolarHBondContact OG-OD2 3.47Å; D312-I314 PolarHBondContact O-N 3.39Å; D312-L315 PolarHBondContact O-N 2.93Å; D312-L316 VanDerWaalsContact O-CB 3.23Å; D312-L316 WeakPolarHBondContact O-CB 3.16Å; D312-L316 WeakPolarHBondContact O-CG 3.48Å; D312-L316 PolarHBondContact O-N 3Å |
| 313 | I | 85.9 | Confident | 85.9 | Confident | 34 Ų | 34 | 64.5 Ų | 64.5 | 17% | 0.174 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -57.8 | -38.2 | 177.5 | -65.4 | 168.1 | 0 | 0 | 0 | 110.8 | S309 I311 K317 G318 W410 V411 | S309-I313 VanDerWaalsContact O-CG1 3.31Å; S309-I313 WeakPolarHBondContact O-CG1 3.09Å; S309-I313 PolarHBondContact O-N 3.5Å; I311-I313 VanDerWaalsContact C-N 3.33Å; I311-I313 PolarHBondContact O-N 3.02Å; I313-K317 PolarHBondContact O-N 3.46Å; I313-G318 PolarHBondContact O-N 3.2Å; I313-W410 HydrophobicContact CD1-CH2 4.19Å; I313-W410 HydrophobicContact CD1-CZ2 4.09Å; I313-W410 HydrophobicContact CG1-CH2 4.01Å; I313-W410 HydrophobicContact CG1-CZ2 4.25Å; I313-W410 HydrophobicContact CG2-CH2 4.42Å; I313-W410 HydrophobicContact CG2-CZ2 4.14Å; I313-V411 HydrophobicContact CD1-CG2 3.91Å |
| 314 | I | 82.7 | Confident | 85.5 | Confident | 130 Ų | 130 | 66.8 Ų | 66.8 | 67% | 0.667 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -71.9 | -48.2 | 177.3 | -66.6 | 163.4 | 0 | 0 | 0 | 111 | E310 I311 D312 K317 | E310-I314 WeakPolarHBondContact O-CD1 3.43Å; E310-I314 VanDerWaalsContact O-CG1 3.28Å; E310-I314 WeakPolarHBondContact O-CG1 3.37Å; E310-I314 PolarHBondContact O-N 3.46Å; I311-I314 WeakPolarHBondContact O-CB 3.37Å; I311-I314 PolarHBondContact O-N 3.35Å; I311-I314 VanDerWaalsContact O-N 3.11Å; D312-I314 PolarHBondContact O-N 3.39Å; I314-K317 PolarHBondContact O-N 3.04Å |
| 315 | L | 79.3 | Confident | 85.2 | Confident | 93 Ų | 93 | 67.6 Ų | 67.6 | 49% | 0.487 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | -177.9 | -71.8 | 176.1 | 0 | 0 | 0 | 111.8 | I311 D312 K317 | I311-L315 HydrophobicContact CG2-CD1 3.76Å; I311-L315 HydrophobicContact CG2-CG 4.15Å; I311-L315 WeakPolarHBondContact O-CG 3.36Å; I311-L315 PolarHBondContact O-N 3.42Å; D312-L315 PolarHBondContact O-N 2.93Å; L315-K317 PolarHBondContact O-N 2.97Å; L315-K317 VanDerWaalsContact O-N 3.12Å |
| 316 | L | 75.8 | Confident | 84.9 | Confident | 15 Ų | 15 | 71.4 Ų | 71.4 | 8% | 0.079 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | 1.4 | 176.2 | -60.4 | -170.6 | 0 | 0 | 0 | 113.2 | Y308 D312 G318 L369 L452 | Y308-L316 HydrophobicContact CD1-CD1 4.1Å; Y308-L316 HydrophobicContact CE1-CD1 3.42Å; Y308-L316 VanDerWaalsContact CE1-CD1 3.42Å; D312-L316 VanDerWaalsContact O-CB 3.23Å; D312-L316 WeakPolarHBondContact O-CB 3.16Å; D312-L316 WeakPolarHBondContact O-CG 3.48Å; D312-L316 PolarHBondContact O-N 3Å; L316-G318 VanDerWaalsContact C-N 3.25Å; L316-G318 PolarHBondContact O-N 2.79Å; L316-L369 HydrophobicContact CD2-CB 3.86Å; L316-L452 HydrophobicContact CD1-CD2 4.27Å |
| 317 | K | 75 | Confident | 84.5 | Confident | 134 Ų | 134 | 75.9 Ų | 75.9 | 58% | 0.583 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.4 | 48.3 | -174.6 | -57.5 | 173.7 | -176.2 | 162.2 | 0 | 110.7 | I313 I314 L315 D319 V320 | I313-K317 PolarHBondContact O-N 3.46Å; I314-K317 PolarHBondContact O-N 3.04Å; L315-K317 PolarHBondContact O-N 2.97Å; L315-K317 VanDerWaalsContact O-N 3.12Å; K317-D319 PolarHBondContact O-N 3.47Å; K317-V320 HydrophobicContact CB-CB 4.02Å; K317-V320 HydrophobicContact CB-CG2 3.69Å; K317-V320 HydrophobicContact CD-CG2 4.35Å; K317-V320 HydrophobicContact CG-CG2 4.49Å; K317-V320 WeakPolarHBondContact O-CB 3.45Å; K317-V320 PolarHBondContact O-N 3.32Å |
| 318 | G | 62.8 | Low | 84.1 | Confident | 6 Ų | 6 | 74.2 Ų | 74.2 | 6% | 0.062 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -0 | -172.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | I313 L316 K450 | I313-G318 PolarHBondContact O-N 3.2Å; L316-G318 VanDerWaalsContact C-N 3.25Å; L316-G318 PolarHBondContact O-N 2.79Å; G318-K450 PolarHBondContact O-NZ 3.2Å; G318-K450 VanDerWaalsContact O-NZ 3.09Å |
| 319 | D | 72.5 | Confident | 83.7 | Confident | 131 Ų | 131 | 74.9 Ų | 74.9 | 70% | 0.701 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.9 | -4.2 | 169.3 | -73.7 | -34.3 | 0 | 0 | 0 | 114 | K317 E321 K450 | K317-D319 PolarHBondContact O-N 3.47Å; D319-E321 PolarHBondContact O-N 2.63Å; D319-K450 IonicContact OD1-NZ 2.72Å; D319-K450 PolarHBondContact OD1-NZ 3.41Å |
| 320 | V | 82.6 | Confident | 83 | Confident | 52 Ų | 52 | 82.4 Ų | 82.4 | 32% | 0.315 | 43% | 0.427 | S | S | . | . | trans | -86 | 104.2 | 174.9 | 176.9 | 0 | 0 | 0 | 0 | 108.9 | K317 D323 N492 | K317-V320 HydrophobicContact CB-CB 4.02Å; K317-V320 HydrophobicContact CB-CG2 3.69Å; K317-V320 HydrophobicContact CD-CG2 4.35Å; K317-V320 HydrophobicContact CG-CG2 4.49Å; K317-V320 WeakPolarHBondContact O-CB 3.45Å; K317-V320 PolarHBondContact O-N 3.32Å; V320-D323 HydrophobicContact CG1-CB 3.85Å; V320-N492 PolarHBondContact O-ND2 3.31Å | ||
| 321 | E | 87.6 | Confident | 82.3 | Confident | 48 Ų | 48 | 82.9 Ų | 82.9 | 22% | 0.224 | 43% | 0.429 | C | S | . | . | trans | -90.7 | -16.1 | 176.9 | -66.5 | -60.6 | 144.5 | 0 | 0 | 113.2 | D319 K450 A451 R454 N492 | D319-E321 PolarHBondContact O-N 2.63Å; E321-K450 WeakPolarHBondContact OE1-CA 3.48Å; E321-K450 WeakPolarHBondContact OE1-CD 3.49Å; E321-A451 VanDerWaalsContact CD-N 3.34Å; E321-A451 PolarHBondContact OE1-N 3.27Å; E321-A451 WeakPolarHBondContact OE2-CB 3.45Å; E321-A451 PolarHBondContact OE2-N 2.89Å; E321-R454 IonicContact OE2-CZ 2.99Å; E321-R454 IonicContact OE2-NH1 3.52Å; E321-R454 PolarHBondContact OE2-NH1 3.48Å; E321-R454 IonicContact OE2-NH2 3.28Å; E321-R454 PolarHBondContact OE2-NH2 2.82Å; E321-N492 WeakPolarHBondContact O-CB 3.35Å | ||
| 322 | E | 87.4 | Confident | 81.7 | Confident | 159 Ų | 159 | 80.8 Ų | 80.8 | 74% | 0.743 | 42% | 0.419 | S | S | * | . | trans | -138.3 | 114.1 | -178.4 | -67 | 179.7 | -172.2 | 0 | 0 | 110.6 | G491 | E322-G491 CarbonylContact C-O 3.49Å; E322-G491 VanDerWaalsContact CA-O 3.31Å; E322-G491 WeakPolarHBondContact CA-O 3.48Å | ||
| 323 | D | 90.9 | Very high | 81.3 | Confident | 26 Ų | 26 | 81.5 Ų | 81.5 | 14% | 0.139 | 42% | 0.423 | C | S | . | . | trans | -143.6 | 10.8 | 175.7 | 70 | -23.7 | 0 | 0 | 0 | 113.7 | V320 T325 I326 G491 N492 K493 | V320-D323 HydrophobicContact CG1-CB 3.85Å; D323-T325 PolarHBondContact O-N 2.84Å; D323-T325 VanDerWaalsContact O-N 3.08Å; D323-I326 HydrophobicContact CB-CD1 3.88Å; D323-I326 HydrophobicContact CB-CG1 4.28Å; D323-I326 WeakPolarHBondContact O-CB 3.5Å; D323-I326 PolarHBondContact O-N 3.01Å; D323-G491 PolarHBondContact N-O 3.14Å; D323-N492 VanDerWaalsContact OD1-CA 3.26Å; D323-N492 WeakPolarHBondContact OD1-CA 3.46Å; D323-K493 PolarHBondContact OD1-N 3.49Å; D323-K493 WeakPolarHBondContact OD2-CE 3.41Å | ||
| 324 | E | 89.8 | Confident | 80.5 | Confident | 55 Ų | 55 | 83.1 Ų | 83.1 | 26% | 0.257 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -28.3 | -179.9 | 66.4 | -180 | -156.8 | 0 | 0 | 114.8 | G491 K531 Q533 | E324-G491 WeakPolarHBondContact CB-O 3.47Å; E324-G491 PolarHBondContact N-O 3.45Å; E324-G491 WeakPolarHBondContact OE2-CA 3.45Å; E324-K531 IonicContact OE1-NZ 3.52Å; E324-K531 WeakPolarHBondContact OE2-CE 3.45Å; E324-K531 IonicContact OE2-NZ 2.88Å; E324-K531 PolarHBondContact OE2-NZ 2.73Å; E324-Q533 WeakPolarHBondContact O-CG 3.33Å; E324-Q533 PolarHBondContact O-NE2 2.99Å |
| 325 | T | 90.8 | Very high | 79.9 | Confident | 113 Ų | 113 | 81.7 Ų | 81.7 | 69% | 0.693 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | -1.1 | -179.1 | 67.1 | 0 | 0 | 0 | 0 | 113.1 | D323 P327 | D323-T325 PolarHBondContact O-N 2.84Å; D323-T325 VanDerWaalsContact O-N 3.08Å; T325-P327 WeakPolarHBondContact O-CD 3.17Å |
| 326 | I | 90.2 | Very high | 79.4 | Confident | 91 Ų | 91 | 80.5 Ų | 80.5 | 47% | 0.467 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -91.6 | 114.9 | -177.9 | -55.4 | -175.6 | 0 | 0 | 0 | 108 | D323 K493 | D323-I326 HydrophobicContact CB-CD1 3.88Å; D323-I326 HydrophobicContact CB-CG1 4.28Å; D323-I326 WeakPolarHBondContact O-CB 3.5Å; D323-I326 PolarHBondContact O-N 3.01Å; I326-K493 PolarHBondContact O-NZ 3.27Å |
| 327 | P | 89.1 | Confident | 79.5 | Confident | 95 Ų | 95 | 86 Ų | 86 | 62% | 0.617 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 144.7 | 177.2 | -24 | 34.2 | 0 | 0 | 0 | 111.8 | T325 | T325-P327 WeakPolarHBondContact O-CD 3.17Š|
| 328 | D | 86.4 | Confident | 79.6 | Confident | 30 Ų | 30 | 80.4 Ų | 80.4 | 16% | 0.16 | 42% | 0.416 | C | S | . | . | P | Polyproline II helix | trans | -68.4 | 146.7 | 174.7 | -60.8 | -46.8 | 0 | 0 | 0 | 110.9 | K493 Q533 H534 K535 | D328-K493 IonicContact OD1-NZ 3.78Å; D328-K493 PolarHBondContact OD1-NZ 3.12Å; D328-Q533 WeakPolarHBondContact OD2-CB 3.27Å; D328-H534 HydrophobicContact CB-CB 4.43Å; D328-H534 PolarHBondContact OD2-N 3.32Å; D328-K535 PolarHBondContact OD2-N 3.34Å |
| 329 | S | 83.8 | Confident | 80.1 | Confident | 51 Ų | 51 | 85.1 Ų | 85.1 | 36% | 0.357 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 144.7 | 168.7 | -164.8 | 0 | 0 | 0 | 0 | 109.6 | Q331 D332 | S329-Q331 PolarHBondContact O-N 2.93Å; S329-Q331 VanDerWaalsContact O-N 3.09Å; S329-D332 WeakPolarHBondContact CB-OD2 3.41Å; S329-D332 PolarHBondContact N-OD2 2.95Å; S329-D332 WeakPolarHBondContact O-CB 3.42Å; S329-D332 PolarHBondContact O-N 3.4Å |
| 330 | E | 76.3 | Confident | 79.7 | Confident | 181 Ų | 181 | 79.7 Ų | 79.7 | 85% | 0.846 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -24.7 | 170.6 | -67 | 178 | -179.8 | 0 | 0 | 112.2 | D332 | E330-D332 VanDerWaalsContact C-N 3.33Š|
| 331 | Q | 72.2 | Confident | 79.5 | Confident | 174 Ų | 174 | 81 Ų | 81 | 81% | 0.813 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -19.4 | 176.9 | -61.2 | 177.6 | 6.8 | 0 | 0 | 113.2 | S329 | S329-Q331 PolarHBondContact O-N 2.93Å; S329-Q331 VanDerWaalsContact O-N 3.09Å |
| 332 | D | 71.8 | Confident | 79 | Confident | 57 Ų | 57 | 81.1 Ų | 81.1 | 31% | 0.305 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -9.5 | 179.9 | -56.9 | -32.2 | 0 | 0 | 0 | 111.7 | S329 E330 | S329-D332 WeakPolarHBondContact CB-OD2 3.41Å; S329-D332 PolarHBondContact N-OD2 2.95Å; S329-D332 WeakPolarHBondContact O-CB 3.42Å; S329-D332 PolarHBondContact O-N 3.4Å; E330-D332 VanDerWaalsContact C-N 3.33Å |
| 333 | I | 74.3 | Confident | 78.5 | Confident | 37 Ų | 37 | 74.4 Ų | 74.4 | 19% | 0.19 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -93.3 | 110.5 | -179.3 | -57.7 | 168.6 | 0 | 0 | 0 | 108.3 | H534 | I333-H534 HydrophobicContact CD1-CB 4.09Å; I333-H534 VanDerWaalsContact CD1-ND1 3.29Å; I333-H534 WeakPolarHBondContact CD1-ND1 3.35Å |
| 334 | K | 68.9 | Low | 78 | Confident | 67 Ų | 67 | 76.9 Ų | 76.9 | 29% | 0.291 | 40% | 0.397 | S | S | . | . | trans | -66.8 | 145 | 178.2 | -64.2 | -169 | -160.7 | 175.6 | 0 | 111.2 | R336 D364 D366 T368 | K334-R336 PolarHBondContact O-N 2.93Å; K334-D364 PolarHBondContact NZ-O 3.06Å; K334-D366 VanDerWaalsContact CE-C 3.48Å; K334-D366 WeakPolarHBondContact CE-O 3.19Å; K334-D366 PolarHBondContact NZ-O 3.49Å; K334-T368 HydrophobicContact CD-CG2 4.41Å; K334-T368 HydrophobicContact CG-CG2 3.82Å | ||
| 335 | P | 69.7 | Low | 77.2 | Confident | 101 Ų | 101 | 75.1 Ų | 75.1 | 66% | 0.656 | 39% | 0.389 | S | S | * | . | trans | -58.9 | 121.3 | 164.3 | -18.5 | 31.3 | 0 | 0 | 0 | 109.4 | F337 | P335-F337 HydrophobicContact CB-CE2 4.17Å; P335-F337 HydrophobicContact CB-CZ 4.31Å | ||
| 336 | R | 69.2 | Low | 76.1 | Confident | 68 Ų | 68 | 76 Ų | 76 | 26% | 0.257 | 39% | 0.385 | S | S | . | . | trans | -105.3 | 141.9 | 173.3 | -165.4 | 167.1 | 170.3 | 172.3 | -13.7 | 109.5 | K334 D542 F583 E587 | K334-R336 PolarHBondContact O-N 2.93Å; R336-D542 IonicContact CZ-OD1 2.83Å; R336-D542 IonicContact CZ-OD2 3.85Å; R336-D542 VanDerWaalsContact CZ-OD2 3.28Å; R336-D542 IonicContact NH1-OD1 2.65Å; R336-D542 IonicContact NH1-OD2 3.26Å; R336-D542 PolarHBondContact NH1-OD2 3.18Å; R336-D542 IonicContact NH2-OD1 2.73Å; R336-D542 PolarHBondContact NH2-OD1 2.79Å; R336-D542 IonicContact NH2-OD2 2.85Å; R336-D542 PolarHBondContact NH2-OD2 3.39Å; R336-F583 WeakPolarHBondContact O-CD2 3.47Å; R336-F583 WeakPolarHBondContact O-CE2 3.39Å; R336-E587 IonicContact NH2-OE2 2.78Å; R336-E587 PolarHBondContact NH2-OE2 3.33Å | ||
| 337 | F | 77.7 | Confident | 74.6 | Confident | 131 Ų | 131 | 73.9 Ų | 73.9 | 58% | 0.575 | 37% | 0.373 | S | S | * | . | trans | -119.6 | 149 | 176.8 | -58.7 | -84.1 | 0 | 0 | 0 | 108.3 | P335 D638 | P335-F337 HydrophobicContact CB-CE2 4.17Å; P335-F337 HydrophobicContact CB-CZ 4.31Å; F337-D638 WeakPolarHBondContact CA-OD2 3.46Å; F337-D638 WeakPolarHBondContact CB-OD2 3.43Å; F337-D638 WeakPolarHBondContact CD1-OD2 3.35Å | ||
| 338 | H | 77.9 | Confident | 72.5 | Confident | 15 Ų | 15 | 73 Ų | 73 | 7% | 0.069 | 36% | 0.361 | C | S | . | . | P | Polyproline II helix | trans | -88 | 132.3 | -179.9 | 171.6 | 62.3 | 0 | 0 | 0 | 110.5 | F583 E587 D638 I641 V642 D645 | H338-F583 HydrophobicContact CB-CB 4.35Å; H338-F583 HydrophobicContact CB-CG 4.28Å; H338-E587 IonicContact CE1-OE1 3.2Å; H338-E587 IonicContact CG-OE1 3.27Å; H338-E587 IonicContact ND1-OE1 2.73Å; H338-E587 PolarHBondContact ND1-OE1 3.47Å; H338-D638 HydrophobicContact CB-CB 4.16Å; H338-D638 PolarHBondContact N-OD2 3.46Å; H338-I641 WeakPolarHBondContact CD2-CG2 3.36Å; H338-I641 WeakPolarHBondContact NE2-CG2 3.44Å; H338-V642 HydrophobicContact CB-CB 4.29Å; H338-V642 PolarHBondContact CD2-N 3.36Å; H338-V642 VanDerWaalsContact CD2-N 3.26Å; H338-V642 VanDerWaalsContact NE2-CA 3.33Å; H338-V642 WeakPolarHBondContact NE2-CA 3.41Å; H338-V642 PolarHBondContact NE2-N 2.79Å; H338-D645 IonicContact CE1-OD2 3.86Å; H338-D645 IonicContact NE2-OD2 3.33Å; H338-D645 PolarHBondContact NE2-OD2 3.01Å |
| 339 | K | 72.1 | Confident | 70.4 | Confident | 106 Ų | 106 | 74.9 Ų | 74.9 | 46% | 0.461 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -94.9 | 128 | 173.9 | -65 | -172.1 | -178.2 | -173.1 | 0 | 110.1 | D360 | K339-D360 PolarHBondContact NZ-O 3.11Å; K339-D360 IonicContact NZ-OD1 2.85Å; K339-D360 PolarHBondContact NZ-OD1 3.02Å |
| 340 | S | 65.1 | Low | 68.1 | Low | 17 Ų | 17 | 74.8 Ų | 74.8 | 12% | 0.119 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 139.6 | -179.5 | -77.1 | 0 | 0 | 0 | 0 | 113.6 | T342 I641 E681 Q684 S685 | S340-T342 PolarHBondContact O-N 2.82Å; S340-I641 WeakPolarHBondContact OG-CG2 3.49Å; S340-E681 WeakPolarHBondContact OG-CA 3.38Å; S340-E681 VanDerWaalsContact OG-CB 3.27Å; S340-E681 WeakPolarHBondContact OG-CB 3.43Å; S340-E681 PolarHBondContact OG-O 2.8Å; S340-Q684 PolarHBondContact O-NE2 3.48Å; S340-S685 PolarHBondContact OG-OG 3.39Å |
| 341 | R | 79.1 | Confident | 66.1 | Low | 79 Ų | 79 | 73.8 Ų | 73.8 | 30% | 0.298 | 39% | 0.39 | S | S | . | . | P | Polyproline II helix | trans | -62.2 | 125.1 | 176.4 | -171.7 | -179.6 | -176.6 | -166.9 | 3 | 113.4 | D645 S648 E652 Q684 N726 | R341-D645 HydrophobicContact CB-CB 4.48Å; R341-D645 WeakPolarHBondContact CB-OD2 3.45Å; R341-D645 PolarHBondContact N-OD2 3.14Å; R341-S648 PolarHBondContact NH1-OG 3.1Å; R341-S648 VanDerWaalsContact NH1-OG 3.15Å; R341-E652 IonicContact CZ-OE2 2.75Å; R341-E652 VanDerWaalsContact CZ-OE2 3.26Å; R341-E652 IonicContact NH1-OE2 3.03Å; R341-E652 PolarHBondContact NH1-OE2 3.18Å; R341-E652 IonicContact NH2-OE1 2.83Å; R341-E652 IonicContact NH2-OE2 3.44Å; R341-E652 PolarHBondContact NH2-OE2 3.39Å; R341-Q684 PolarHBondContact O-NE2 2.95Å; R341-N726 PolarHBondContact O-ND2 2.83Å |
| 342 | T | 76.9 | Confident | 64.3 | Low | 51 Ų | 51 | 67.7 Ų | 67.7 | 31% | 0.313 | 37% | 0.373 | S | S | . | . | P | Polyproline II helix | trans | -97.6 | 130.5 | 168.2 | -59 | 0 | 0 | 0 | 0 | 109.9 | S340 T344 Q684 | S340-T342 PolarHBondContact O-N 2.82Å; T342-T344 HydrophobicContact CG2-CG2 4.36Å; T342-T344 PolarHBondContact O-N 3.02Å; T342-Q684 PolarHBondContact OG1-NE2 3.29Å; T342-Q684 VanDerWaalsContact OG1-NE2 3.12Å |
| 343 | V | 76.5 | Confident | 62.7 | Low | 18 Ų | 18 | 71.8 Ų | 71.8 | 11% | 0.109 | 39% | 0.391 | C | S | . | . | trans | -79.5 | 111.4 | 178 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | A688 N725 N726 W729 T765 N769 | V343-A688 HydrophobicContact CG2-CB 4.24Å; V343-N725 PolarHBondContact O-ND2 3.13Å; V343-N726 PolarHBondContact N-OD1 3.11Å; V343-W729 HydrophobicContact CB-CD2 4.38Å; V343-W729 HydrophobicContact CB-CG 4.43Å; V343-W729 HydrophobicContact CG1-CD2 3.83Å; V343-W729 HydrophobicContact CG1-CE3 4.38Å; V343-W729 HydrophobicContact CG1-CG 3.86Å; V343-W729 HydrophobicContact CG1-CZ2 4.45Å; V343-W729 HydrophobicContact CG2-CD2 4.27Å; V343-W729 HydrophobicContact CG2-CE3 3.99Å; V343-W729 HydrophobicContact CG2-CZ3 4.21Å; V343-T765 WeakPolarHBondContact O-CG2 3.47Å; V343-N769 PolarHBondContact O-ND2 3.34Å | ||
| 344 | T | 79.3 | Confident | 60.5 | Low | 78 Ų | 78 | 78.7 Ų | 78.7 | 48% | 0.479 | 42% | 0.422 | S | S | . | . | trans | -112.1 | 170.7 | -178 | 59.4 | 0 | 0 | 0 | 0 | 112.7 | T342 T765 | T342-T344 HydrophobicContact CG2-CG2 4.36Å; T342-T344 PolarHBondContact O-N 3.02Å; T344-T765 HydrophobicContact CG2-CG2 3.77Å | ||
| 345 | L | 74.1 | Confident | 58.7 | Low | 17 Ų | 17 | 78.3 Ų | 78.3 | 9% | 0.089 | 44% | 0.437 | C | S | . | . | trans | -122.3 | 150.7 | 178.3 | -66.8 | 161.1 | 0 | 0 | 0 | 110.6 | H347 E768 I772 I803 E808 | L345-H347 PolarHBondContact O-CE1 3.03Å; L345-H347 PolarHBondContact O-ND1 2.99Å; L345-E768 HydrophobicContact CD1-CB 3.79Å; L345-I772 HydrophobicContact CD1-CD1 3.27Å; L345-I772 HydrophobicContact CD2-CD1 4.2Å; L345-I772 HydrophobicContact CG-CD1 4.39Å; L345-I803 HydrophobicContact CB-CG2 4.24Å; L345-I803 HydrophobicContact CD1-CD1 3.82Å; L345-E808 HydrophobicContact CD2-CB 4.39Å; L345-E808 HydrophobicContact CD2-CG 4.26Å | ||
| 346 | Q | 67.8 | Low | 57 | Low | 132 Ų | 132 | 77.3 Ų | 77.3 | 62% | 0.617 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -83.8 | 139 | 179.7 | -63.5 | -175.5 | -2.2 | 0 | 0 | 112.6 | R804 | Q346-R804 HydrophobicContact CB-CG 4.44Å; Q346-R804 WeakPolarHBondContact O-CG 3.45Å; Q346-R804 PolarHBondContact O-N 3Å |
| 347 | H | 58.8 | Low | 55.2 | Low | 46 Ų | 46 | 77 Ų | 77 | 21% | 0.213 | 43% | 0.427 | C | S | . | . | B | Isolated β-bridge | trans | -102.4 | 144.5 | -175.1 | -67.5 | 91.7 | 0 | 0 | 0 | 114.3 | L345 G349 K764 E768 R804 | L345-H347 PolarHBondContact O-CE1 3.03Å; L345-H347 PolarHBondContact O-ND1 2.99Å; H347-G349 PolarHBondContact O-N 3.31Å; H347-K764 PolarHBondContact CD2-NZ 2.95Å; H347-K764 WeakPolarHBondContact NE2-CE 3.42Å; H347-K764 PolarHBondContact NE2-NZ 3.22Å; H347-E768 IonicContact CD2-OE1 2.74Å; H347-E768 IonicContact CE1-OE1 3.33Å; H347-E768 IonicContact CE1-OE2 3.52Å; H347-E768 IonicContact NE2-OE1 3.59Å; H347-E768 PolarHBondContact NE2-OE1 3.23Å; H347-E768 IonicContact NE2-OE2 3.66Å; H347-R804 PolarHBondContact O-NE 3.29Å; H347-R804 PolarHBondContact O-NH2 3.4Å; H347-R804 VanDerWaalsContact O-NH2 3.16Å |
| 348 | E | 44.1 | Very low | 52.9 | Low | 78 Ų | 78 | 75.1 Ų | 75.1 | 36% | 0.364 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | 119.7 | 171 | -74.3 | -167.4 | 165.6 | 0 | 0 | 110.2 | N802 R804 V842 | E348-N802 PolarHBondContact N-O 3.07Å; E348-R804 HydrophobicContact CG-CB 4.34Å; E348-R804 HydrophobicContact CG-CG 3.74Å; E348-V842 WeakPolarHBondContact OE1-CG2 3.49Å |
| 349 | G | 41.8 | Very low | 50.6 | Low | 68 Ų | 68 | 81.2 Ų | 81.2 | 70% | 0.701 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 123 | -1.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | H347 E351 | H347-G349 PolarHBondContact O-N 3.31Å; G349-E351 PolarHBondContact O-N 3.46Å |
| 350 | G | 36 | Very low | 49 | Very low | 50 Ų | 50 | 79.9 Ų | 79.9 | 52% | 0.515 | 45% | 0.453 | S | S | . | . | trans | 59.4 | 18.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | G352 | G350-G352 VanDerWaalsContact C-N 3.27Å; G350-G352 PolarHBondContact O-N 3.02Å | ||
| 351 | E | 35.7 | Very low | 47.7 | Very low | 160 Ų | 160 | 84.9 Ų | 84.9 | 75% | 0.748 | 48% | 0.478 | S | S | * | . | trans | -61.8 | 103.5 | 157.7 | -70.2 | -179.1 | 176.4 | 0 | 0 | 104.1 | G349 | G349-E351 PolarHBondContact O-N 3.46Š| ||
| 352 | G | 34.4 | Very low | 45.5 | Very low | 46 Ų | 46 | 88.3 Ų | 88.3 | 47% | 0.474 | 50% | 0.498 | S | S | . | . | trans | -50.9 | 164 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | G350 E354 | G350-G352 VanDerWaalsContact C-N 3.27Å; G350-G352 PolarHBondContact O-N 3.02Å; G352-E354 PolarHBondContact O-N 3.32Å | ||
| 353 | E | 36.5 | Very low | 43.6 | Very low | 142 Ų | 142 | 92.1 Ų | 92.1 | 66% | 0.664 | 52% | 0.516 | S | S | * | . | trans | -63 | 62.3 | 178.7 | -70.7 | 157 | 154.4 | 0 | 0 | 111.6 | G355 D357 | E353-G355 PolarHBondContact O-N 3.26Å; E353-D357 VanDerWaalsContact CB-OD2 3.23Å; E353-D357 WeakPolarHBondContact CB-OD2 3.35Å | ||
| 354 | E | 29.4 | Very low | 41.9 | Very low | 183 Ų | 183 | 97.1 Ų | 97.1 | 86% | 0.855 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 31.2 | -176.2 | -71.2 | -168.7 | 172.7 | 0 | 0 | 112.8 | G352 | G352-E354 PolarHBondContact O-N 3.32Š|
| 355 | G | 29.5 | Very low | 40.2 | Very low | 58 Ų | 58 | 99.3 Ų | 99.3 | 60% | 0.598 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -173.6 | 7.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | E353 | E353-G355 PolarHBondContact O-N 3.26Š|
| 356 | E | 35 | Very low | 38.8 | Very low | 81 Ų | 81 | 103.1 Ų | 103.1 | 38% | 0.379 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -126.7 | -17.8 | 176 | -69.9 | -175.6 | -168.3 | 0 | 0 | 114.4 | P763 K764 T765 | E356-P763 WeakPolarHBondContact OE1-CA 3.2Å; E356-P763 VanDerWaalsContact OE1-CB 3.26Å; E356-P763 WeakPolarHBondContact OE1-CB 3.33Å; E356-K764 PolarHBondContact OE1-N 3.06Å; E356-T765 PolarHBondContact OE2-OG1 3.2Å |
| 357 | D | 32.4 | Very low | 37.9 | Very low | 62 Ų | 62 | 98.3 Ų | 98.3 | 33% | 0.332 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -102.6 | -3 | 179.2 | -58.3 | -57.8 | 0 | 0 | 0 | 115 | E353 D359 D360 | E353-D357 VanDerWaalsContact CB-OD2 3.23Å; E353-D357 WeakPolarHBondContact CB-OD2 3.35Å; D357-D359 PolarHBondContact O-N 2.97Å; D357-D360 PolarHBondContact O-N 3.27Å |
| 358 | I | 29.4 | Very low | 37.2 | Very low | 90 Ų | 90 | 99.5 Ų | 99.5 | 46% | 0.462 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.9 | -29.9 | -179.4 | -56.7 | 175.8 | 0 | 0 | 0 | 111.5 | D360 | I358-D360 VanDerWaalsContact C-N 3.32Š|
| 359 | D | 29.3 | Very low | 37.2 | Very low | 143 Ų | 143 | 99 Ų | 99 | 77% | 0.765 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.9 | -12 | 177.7 | -76.1 | -10.6 | 0 | 0 | 0 | 112.9 | D357 | D357-D359 PolarHBondContact O-N 2.97Š|
| 360 | D | 37.5 | Very low | 37.9 | Very low | 79 Ų | 79 | 96.4 Ų | 96.4 | 42% | 0.422 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -21.4 | -172.3 | -93.2 | -37.9 | 0 | 0 | 0 | 114.4 | K339 D357 I358 | K339-D360 PolarHBondContact NZ-O 3.11Å; K339-D360 IonicContact NZ-OD1 2.85Å; K339-D360 PolarHBondContact NZ-OD1 3.02Å; D357-D360 PolarHBondContact O-N 3.27Å; I358-D360 VanDerWaalsContact C-N 3.32Å |
| 361 | D | 38.3 | Very low | 39.5 | Very low | 122 Ų | 122 | 100.5 Ų | 100.5 | 65% | 0.652 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -94.1 | -12.1 | -179.8 | -76.6 | -20.6 | 0 | 0 | 0 | 114.3 | D363 | D361-D363 PolarHBondContact O-N 3.46Š|
| 362 | E | 33.6 | Very low | 41.9 | Very low | 150 Ų | 150 | 97.9 Ų | 97.9 | 70% | 0.701 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -17.3 | 179.3 | -73.6 | -167.3 | 171.5 | 0 | 0 | 113.4 | ||
| 363 | D | 35.1 | Very low | 44.6 | Very low | 132 Ų | 132 | 96.8 Ų | 96.8 | 71% | 0.706 | 51% | 0.508 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -12.3 | -176.8 | -85.1 | -24 | 0 | 0 | 0 | 114.6 | D361 | D361-D363 PolarHBondContact O-N 3.46Š|
| 364 | D | 42.3 | Very low | 47.3 | Very low | 123 Ų | 123 | 91.7 Ų | 91.7 | 66% | 0.658 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -90.6 | -14 | -172.5 | -103.4 | -20 | 0 | 0 | 0 | 114.7 | K334 D366 | K334-D364 PolarHBondContact NZ-O 3.06Å; D364-D366 VanDerWaalsContact C-N 3.28Å; D364-D366 PolarHBondContact O-N 3.2Å |
| 365 | D | 42.6 | Very low | 50.4 | Low | 123 Ų | 123 | 83.9 Ų | 83.9 | 66% | 0.658 | 45% | 0.448 | S | S | * | . | trans | -82.4 | 7.9 | -170.8 | -114.6 | 1.4 | 0 | 0 | 0 | 115.4 | D367 K376 | D365-D367 VanDerWaalsContact C-N 3.3Å; D365-D367 PolarHBondContact O-N 2.96Å; D365-D367 VanDerWaalsContact O-N 3.08Å; D365-K376 PolarHBondContact O-NZ 3.47Å | ||
| 366 | D | 45.2 | Very low | 53.4 | Low | 98 Ų | 98 | 83.4 Ų | 83.4 | 52% | 0.524 | 43% | 0.429 | S | S | . | . | trans | -91.2 | 51 | -173.9 | -138.9 | 13.2 | 0 | 0 | 0 | 113.7 | K334 D364 T368 K376 | K334-D366 VanDerWaalsContact CE-C 3.48Å; K334-D366 WeakPolarHBondContact CE-O 3.19Å; K334-D366 PolarHBondContact NZ-O 3.49Å; D364-D366 VanDerWaalsContact C-N 3.28Å; D364-D366 PolarHBondContact O-N 3.2Å; D366-T368 PolarHBondContact O-N 3.44Å; D366-T368 VanDerWaalsContact O-N 3.08Å; D366-K376 IonicContact OD1-NZ 3.12Å | ||
| 367 | D | 49.4 | Very low | 56.3 | Low | 31 Ų | 31 | 79.6 Ų | 79.6 | 17% | 0.166 | 41% | 0.411 | C | S | . | . | trans | -46 | 114.8 | 176.9 | -165.3 | 11.2 | 0 | 0 | 0 | 110.6 | D365 L369 S370 R494 K535 | D365-D367 VanDerWaalsContact C-N 3.3Å; D365-D367 PolarHBondContact O-N 2.96Å; D365-D367 VanDerWaalsContact O-N 3.08Å; D367-L369 PolarHBondContact O-N 3.39Å; D367-S370 CarbonylContact O-C 3.36Å; D367-S370 PolarHBondContact O-N 3.2Å; D367-R494 IonicContact OD2-CZ 2.98Å; D367-R494 IonicContact OD2-NE 2.7Å; D367-R494 IonicContact OD2-NH2 3.34Å; D367-R494 PolarHBondContact OD2-NH2 3Å; D367-K535 IonicContact OD1-NZ 3.76Å; D367-K535 PolarHBondContact OD1-NZ 2.9Å | ||
| 368 | T | 43.2 | Very low | 59.4 | Low | 70 Ų | 70 | 76.7 Ų | 76.7 | 43% | 0.429 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -9.1 | -171.3 | 47.9 | 0 | 0 | 0 | 0 | 114.3 | K334 D366 | K334-T368 HydrophobicContact CD-CG2 4.41Å; K334-T368 HydrophobicContact CG-CG2 3.82Å; D366-T368 PolarHBondContact O-N 3.44Å; D366-T368 VanDerWaalsContact O-N 3.08Å |
| 369 | L | 45.3 | Very low | 62.5 | Low | 68 Ų | 68 | 73.1 Ų | 73.1 | 36% | 0.356 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -10.6 | 174.8 | -83.9 | 148.2 | 0 | 0 | 0 | 113.7 | L316 D367 | L316-L369 HydrophobicContact CD2-CB 3.86Å; D367-L369 PolarHBondContact O-N 3.39Å |
| 370 | S | 56 | Low | 65.7 | Low | 13 Ų | 13 | 67.7 Ų | 67.7 | 9% | 0.091 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -144.5 | 96.6 | 175.8 | -179.8 | 0 | 0 | 0 | 0 | 110.9 | D367 N373 K376 | D367-S370 CarbonylContact O-C 3.36Å; D367-S370 PolarHBondContact O-N 3.2Å; S370-N373 PolarHBondContact OG-ND2 3.46Å; S370-K376 WeakPolarHBondContact O-CE 3.14Å; S370-K376 PolarHBondContact O-NZ 3.06Å |
| 371 | D | 69.6 | Low | 68.5 | Low | 136 Ų | 136 | 63.9 Ų | 63.9 | 73% | 0.727 | 34% | 0.335 | S | S | * | . | trans | -45.9 | 158.5 | 165.9 | -63.8 | -37.8 | 0 | 0 | 0 | 112 | N373 | D371-N373 PolarHBondContact O-N 3.28Å; D371-N373 VanDerWaalsContact O-N 3.12Å | ||
| 372 | W | 86.6 | Confident | 71.3 | Confident | 105 Ų | 105 | 58.1 Ų | 58.1 | 40% | 0.398 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -49.9 | 118.9 | 170.1 | -176.4 | -112 | 0 | 0 | 0 | 110.7 | E276 L279 K376 C377 A380 | E276-W372 PolarHBondContact OE1-NE1 2.95Å; L279-W372 HydrophobicContact CD2-CZ2 4.43Å; W372-K376 HydrophobicContact CE3-CB 3.79Å; W372-K376 HydrophobicContact CE3-CD 4.2Å; W372-K376 HydrophobicContact CZ3-CB 3.8Å; W372-C377 HydrophobicContact CH2-CB 4.29Å; W372-C377 HydrophobicContact CZ2-CB 3.62Å; W372-A380 HydrophobicContact CH2-CB 4.01Å |
| 373 | N | 89.8 | Confident | 74.3 | Confident | 23 Ų | 23 | 52.5 Ų | 52.5 | 12% | 0.123 | 28% | 0.278 | C | S | . | . | trans | -139.3 | 173.6 | -171.4 | 66.2 | 23.9 | 0 | 0 | 0 | 111.7 | S370 D371 R375 K376 C377 | S370-N373 PolarHBondContact OG-ND2 3.46Å; D371-N373 PolarHBondContact O-N 3.28Å; D371-N373 VanDerWaalsContact O-N 3.12Å; N373-R375 PolarHBondContact O-N 3.2Å; N373-R375 VanDerWaalsContact O-N 3.17Å; N373-R375 WeakPolarHBondContact OD1-CB 3.14Å; N373-R375 PolarHBondContact OD1-N 3.32Å; N373-K376 PolarHBondContact O-N 3.23Å; N373-K376 PolarHBondContact OD1-N 3.43Å; N373-C377 WeakPolarHBondContact O-CB 3.09Å; N373-C377 PolarHBondContact O-N 3.44Å | ||
| 374 | L | 94.5 | Very high | 77.2 | Confident | 35 Ų | 35 | 48.1 Ų | 48.1 | 18% | 0.183 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.6 | -34.8 | -177.2 | -179.4 | 60.2 | 0 | 0 | 0 | 112.6 | A271 C275 S378 | A271-L374 HydrophobicContact CB-CD1 4.21Å; A271-L374 HydrophobicContact CB-CD2 3.84Å; C275-L374 HydrophobicContact CB-CD1 3.69Å; L374-S378 VanDerWaalsContact O-CB 3.23Å; L374-S378 WeakPolarHBondContact O-CB 3.35Å; L374-S378 PolarHBondContact O-N 2.83Å; L374-S378 PolarHBondContact O-OG 2.96Å |
| 375 | R | 94.5 | Very high | 79.8 | Confident | 19 Ų | 19 | 42.2 Ų | 42.2 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.9 | -51.7 | 178.5 | 166.7 | 178.3 | 170.9 | 113 | -6.3 | 111.9 | G305 M306 Y308 N373 S378 A379 E414 L418 | G305-R375 VanDerWaalsContact O-CA 3.22Å; G305-R375 WeakPolarHBondContact O-CA 3.45Å; M306-R375 PolarHBondContact O-NH1 2.61Å; Y308-R375 VanDerWaalsContact CD2-NH1 3.34Å; Y308-R375 VanDerWaalsContact CZ-CZ 3.41Å; Y308-R375 VanDerWaalsContact CZ-NH2 3.3Å; Y308-R375 PolarHBondContact OH-NH2 2.65Å; N373-R375 PolarHBondContact O-N 3.2Å; N373-R375 VanDerWaalsContact O-N 3.17Å; N373-R375 WeakPolarHBondContact OD1-CB 3.14Å; N373-R375 PolarHBondContact OD1-N 3.32Å; R375-S378 PolarHBondContact O-N 3.39Å; R375-A379 PolarHBondContact O-N 3.32Å; R375-E414 IonicContact CZ-OE1 3.6Å; R375-E414 IonicContact CZ-OE2 2.71Å; R375-E414 IonicContact NH1-OE1 2.86Å; R375-E414 IonicContact NH1-OE2 2.73Å; R375-E414 PolarHBondContact NH1-OE2 3.27Å; R375-E414 IonicContact NH2-OE1 2.73Å; R375-E414 PolarHBondContact NH2-OE1 3.34Å; R375-E414 IonicContact NH2-OE2 3.27Å; R375-E414 PolarHBondContact NH2-OE2 3.01Å; R375-E414 VanDerWaalsContact NH2-OE2 3.12Å; R375-L418 HydrophobicContact CG-CD2 4.48Å |
| 376 | K | 91.6 | Very high | 82.3 | Confident | 49 Ų | 49 | 36.4 Ų | 36.4 | 21% | 0.213 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.9 | -48.5 | 176.9 | -71.5 | -175 | 171.8 | -172.7 | 0 | 110.5 | D365 D366 S370 W372 N373 S378 A379 A380 | D365-K376 PolarHBondContact O-NZ 3.47Å; D366-K376 IonicContact OD1-NZ 3.12Å; S370-K376 WeakPolarHBondContact O-CE 3.14Å; S370-K376 PolarHBondContact O-NZ 3.06Å; W372-K376 HydrophobicContact CE3-CB 3.79Å; W372-K376 HydrophobicContact CE3-CD 4.2Å; W372-K376 HydrophobicContact CZ3-CB 3.8Å; N373-K376 PolarHBondContact O-N 3.23Å; N373-K376 PolarHBondContact OD1-N 3.43Å; K376-S378 PolarHBondContact O-N 3.26Å; K376-A379 PolarHBondContact O-N 3.07Å; K376-A379 VanDerWaalsContact O-N 3.17Å; K376-A380 WeakPolarHBondContact O-CB 2.85Å; K376-A380 PolarHBondContact O-N 3.18Å |
| 377 | C | 95.3 | Very high | 84.7 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -60.3 | -41.5 | 178.6 | -174.8 | 0 | 0 | 0 | 0 | 112.7 | L272 C275 E276 W372 N373 A381 | L272-C377 HydrophobicContact CD1-CB 3.62Å; C275-C377 VanDerWaalsContact C-SG 3.56Å; C275-C377 HydrophobicContact CB-CB 4.44Å; C275-C377 VanDerWaalsContact SG-SG 3.61Å; E276-C377 PolarHBondContact N-SG 3.42Å; E276-C377 VanDerWaalsContact N-SG 3.45Å; W372-C377 HydrophobicContact CH2-CB 4.29Å; W372-C377 HydrophobicContact CZ2-CB 3.62Å; N373-C377 WeakPolarHBondContact O-CB 3.09Å; N373-C377 PolarHBondContact O-N 3.44Å; C377-A381 VanDerWaalsContact O-CB 3.25Å; C377-A381 WeakPolarHBondContact O-CB 3.44Å; C377-A381 PolarHBondContact O-N 2.87Å |
| 378 | S | 97.7 | Very high | 86.9 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.007 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.4 | -37.5 | 177.3 | -61.1 | 0 | 0 | 0 | 0 | 112.4 | L302 L374 R375 K376 L382 | L302-S378 WeakPolarHBondContact O-CB 3.35Å; L374-S378 VanDerWaalsContact O-CB 3.23Å; L374-S378 WeakPolarHBondContact O-CB 3.35Å; L374-S378 PolarHBondContact O-N 2.83Å; L374-S378 PolarHBondContact O-OG 2.96Å; R375-S378 PolarHBondContact O-N 3.39Å; K376-S378 PolarHBondContact O-N 3.26Å; S378-L382 WeakPolarHBondContact O-CB 3.42Å; S378-L382 PolarHBondContact O-N 3.31Å |
| 379 | A | 96.2 | Very high | 89.4 | Confident | 15 Ų | 15 | 31.7 Ų | 31.7 | 12% | 0.124 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.1 | -48.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | M306 R375 K376 A381 L382 D383 L418 | M306-A379 HydrophobicContact CE-CB 3.78Å; M306-A379 HydrophobicContact CG-CB 4.22Å; R375-A379 PolarHBondContact O-N 3.32Å; K376-A379 PolarHBondContact O-N 3.07Å; K376-A379 VanDerWaalsContact O-N 3.17Å; A379-A381 PolarHBondContact O-N 3.41Å; A379-L382 PolarHBondContact O-N 3.01Å; A379-L382 VanDerWaalsContact O-N 3.12Å; A379-D383 PolarHBondContact O-N 3.27Å; A379-L418 HydrophobicContact CB-CD1 4.46Å; A379-L418 HydrophobicContact CB-CD2 4.22Å; A379-L418 HydrophobicContact CB-CG 4.49Å |
| 380 | A | 94.8 | Very high | 91.8 | Very high | 29 Ų | 29 | 35.6 Ų | 35.6 | 24% | 0.24 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.1 | -46.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | L279 W372 K376 L382 D383 V384 | L279-A380 HydrophobicContact CD1-CB 3.92Å; W372-A380 HydrophobicContact CH2-CB 4.01Å; K376-A380 WeakPolarHBondContact O-CB 2.85Å; K376-A380 PolarHBondContact O-N 3.18Å; A380-L382 VanDerWaalsContact C-N 3.28Å; A380-L382 PolarHBondContact O-N 3.44Å; A380-D383 PolarHBondContact O-N 3.35Å; A380-V384 WeakPolarHBondContact O-CG2 3.32Å; A380-V384 PolarHBondContact O-N 2.89Å |
| 381 | A | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.2 | -38.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | W278 L279 L302 C377 A379 L385 | W278-A381 HydrophobicContact CB-CB 3.91Å; L279-A381 HydrophobicContact CB-CB 4.44Å; L302-A381 HydrophobicContact CD1-CB 4.36Å; L302-A381 HydrophobicContact CD2-CB 4.33Å; C377-A381 VanDerWaalsContact O-CB 3.25Å; C377-A381 WeakPolarHBondContact O-CB 3.44Å; C377-A381 PolarHBondContact O-N 2.87Å; A379-A381 PolarHBondContact O-N 3.41Å; A381-L385 VanDerWaalsContact O-CB 3.3Å; A381-L385 WeakPolarHBondContact O-CB 3.42Å; A381-L385 WeakPolarHBondContact O-CD1 3.45Å; A381-L385 WeakPolarHBondContact O-CG 3.08Å; A381-L385 PolarHBondContact O-N 2.96Å; A381-L385 VanDerWaalsContact O-N 3.08Å |
| 382 | L | 98 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -69.3 | -36.5 | 177.4 | -174.4 | 62.7 | 0 | 0 | 0 | 112.4 | I299 V303 M306 S378 A379 A380 L385 A386 L393 L397 V419 I423 | I299-L382 HydrophobicContact CD1-CD1 3.72Å; V303-L382 HydrophobicContact CG2-CD2 4.3Å; M306-L382 HydrophobicContact CE-CD2 4.19Å; M306-L382 HydrophobicContact SD-CB 4.38Å; M306-L382 HydrophobicContact SD-CD2 3.67Å; S378-L382 WeakPolarHBondContact O-CB 3.42Å; S378-L382 PolarHBondContact O-N 3.31Å; A379-L382 PolarHBondContact O-N 3.01Å; A379-L382 VanDerWaalsContact O-N 3.12Å; A380-L382 VanDerWaalsContact C-N 3.28Å; A380-L382 PolarHBondContact O-N 3.44Å; L382-L385 PolarHBondContact O-N 3.1Å; L382-A386 WeakPolarHBondContact O-CB 3.39Å; L382-A386 PolarHBondContact O-N 2.92Å; L382-L393 HydrophobicContact CD1-CD2 4.07Å; L382-L397 HydrophobicContact CD1-CD2 4.31Å; L382-L397 HydrophobicContact CD2-CD2 4.29Å; L382-V419 HydrophobicContact CD2-CG1 4Å; L382-V419 HydrophobicContact CD2-CG2 4.3Å; L382-I423 HydrophobicContact CD2-CG2 4.12Å; L382-I423 HydrophobicContact CG-CG2 4.06Å |
| 383 | D | 95.9 | Very high | 95.3 | Very high | 32 Ų | 32 | 32.3 Ų | 32.3 | 17% | 0.171 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.4 | -53.1 | 177.1 | -164.2 | -19.5 | 0 | 0 | 0 | 111.2 | A379 A380 L385 A386 N387 A422 R463 | A379-D383 PolarHBondContact O-N 3.27Å; A380-D383 PolarHBondContact O-N 3.35Å; D383-L385 VanDerWaalsContact C-N 3.28Å; D383-L385 PolarHBondContact O-N 3.42Å; D383-A386 WeakPolarHBondContact O-CA 3.5Å; D383-A386 VanDerWaalsContact O-CB 3.3Å; D383-A386 WeakPolarHBondContact O-CB 3.45Å; D383-A386 PolarHBondContact O-N 3.01Å; D383-N387 PolarHBondContact O-N 2.77Å; D383-N387 PolarHBondContact O-ND2 3.14Å; D383-N387 PolarHBondContact OD1-ND2 2.93Å; D383-A422 VanDerWaalsContact CA-O 3.28Å; D383-A422 WeakPolarHBondContact CA-O 3.44Å; D383-A422 WeakPolarHBondContact CB-O 3.45Å; D383-R463 IonicContact OD2-NH2 2.66Å |
| 384 | V | 95.5 | Very high | 95.6 | Very high | 40 Ų | 40 | 31.8 Ų | 31.8 | 24% | 0.242 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.3 | -38.9 | 177.2 | -171.4 | 0 | 0 | 0 | 0 | 111 | L279 A282 A380 A386 N387 V388 | L279-V384 HydrophobicContact CD1-CG2 3.73Å; A282-V384 HydrophobicContact CB-CB 3.9Å; A282-V384 HydrophobicContact CB-CG1 3.44Å; A282-V384 VanDerWaalsContact CB-CG1 3.44Å; A380-V384 WeakPolarHBondContact O-CG2 3.32Å; A380-V384 PolarHBondContact O-N 2.89Å; V384-A386 VanDerWaalsContact C-N 3.33Å; V384-A386 PolarHBondContact O-N 3.03Å; V384-N387 WeakPolarHBondContact O-CB 3.5Å; V384-N387 PolarHBondContact O-N 2.98Å; V384-N387 VanDerWaalsContact O-N 3.17Å; V384-V388 WeakPolarHBondContact O-CG2 3.45Å; V384-V388 PolarHBondContact O-N 3.43Å |
| 385 | L | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.4 | -34.5 | 173.9 | -73.5 | 170.9 | 0 | 0 | 0 | 112.9 | A282 L291 L298 L302 A381 L382 D383 N387 V388 F389 | A282-L385 HydrophobicContact CB-CD2 4.08Å; A282-L385 HydrophobicContact CB-CG 4.28Å; L291-L385 HydrophobicContact CD1-CD2 3.72Å; L298-L385 HydrophobicContact CD2-CD1 3.99Å; L302-L385 HydrophobicContact CD1-CD1 3.68Å; A381-L385 VanDerWaalsContact O-CB 3.3Å; A381-L385 WeakPolarHBondContact O-CB 3.42Å; A381-L385 WeakPolarHBondContact O-CD1 3.45Å; A381-L385 WeakPolarHBondContact O-CG 3.08Å; A381-L385 PolarHBondContact O-N 2.96Å; A381-L385 VanDerWaalsContact O-N 3.08Å; L382-L385 PolarHBondContact O-N 3.1Å; D383-L385 VanDerWaalsContact C-N 3.28Å; D383-L385 PolarHBondContact O-N 3.42Å; L385-N387 VanDerWaalsContact C-N 3.3Å; L385-V388 PolarHBondContact O-N 3.26Å; L385-F389 HydrophobicContact CD2-CD2 4.01Å; L385-F389 HydrophobicContact CD2-CE2 3.69Å; L385-F389 WeakPolarHBondContact O-CB 3.33Å; L385-F389 WeakPolarHBondContact O-CD2 3.44Å; L385-F389 PolarHBondContact O-N 3.42Å |
| 386 | A | 96.7 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63 | -39.7 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | L382 D383 V384 R390 L393 I423 G426 | L382-A386 WeakPolarHBondContact O-CB 3.39Å; L382-A386 PolarHBondContact O-N 2.92Å; D383-A386 WeakPolarHBondContact O-CA 3.5Å; D383-A386 VanDerWaalsContact O-CB 3.3Å; D383-A386 WeakPolarHBondContact O-CB 3.45Å; D383-A386 PolarHBondContact O-N 3.01Å; V384-A386 VanDerWaalsContact C-N 3.33Å; V384-A386 PolarHBondContact O-N 3.03Å; A386-R390 WeakPolarHBondContact O-CA 3.27Å; A386-R390 PolarHBondContact O-N 3.38Å; A386-L393 HydrophobicContact CB-CD2 3.98Å; A386-I423 HydrophobicContact CB-CB 4.09Å; A386-I423 HydrophobicContact CB-CG2 4.15Å; A386-G426 CarbonylContact O-C 3.55Å; A386-G426 WeakPolarHBondContact O-CA 3.45Å |
| 387 | N | 94.7 | Very high | 95.7 | Very high | 53 Ų | 53 | 33.9 Ų | 33.9 | 28% | 0.283 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.2 | -35.8 | 175.7 | -78.9 | -57.8 | 0 | 0 | 0 | 113.2 | D383 V384 L385 G426 | D383-N387 PolarHBondContact O-N 2.77Å; D383-N387 PolarHBondContact O-ND2 3.14Å; D383-N387 PolarHBondContact OD1-ND2 2.93Å; V384-N387 WeakPolarHBondContact O-CB 3.5Å; V384-N387 PolarHBondContact O-N 2.98Å; V384-N387 VanDerWaalsContact O-N 3.17Å; L385-N387 VanDerWaalsContact C-N 3.3Å; N387-G426 VanDerWaalsContact OD1-CA 3.28Å; N387-G426 WeakPolarHBondContact OD1-CA 3.5Å; N387-G426 PolarHBondContact OD1-N 3.09Å |
| 388 | V | 95.6 | Very high | 95.7 | Very high | 45 Ų | 45 | 36 Ų | 36 | 27% | 0.273 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -74.1 | -47.9 | 177.7 | 173.3 | 0 | 0 | 0 | 0 | 112.8 | A282 C287 V384 L385 | A282-V388 WeakPolarHBondContact O-CG2 3.47Å; C287-V388 HydrophobicContact CB-CG1 4.29Å; V384-V388 WeakPolarHBondContact O-CG2 3.45Å; V384-V388 PolarHBondContact O-N 3.43Å; L385-V388 PolarHBondContact O-N 3.26Å |
| 389 | F | 96.4 | Very high | 95.5 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.009 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -94.3 | -21.2 | -172.6 | -73.5 | -84.8 | 0 | 0 | 0 | 113.7 | K288 L291 L295 L385 E391 E392 L393 | K288-F389 HydrophobicContact CB-CE1 4.35Å; K288-F389 HydrophobicContact CB-CZ 4.43Å; K288-F389 HydrophobicContact CG-CD1 4.3Å; K288-F389 HydrophobicContact CG-CE1 3.77Å; K288-F389 HydrophobicContact CG-CZ 4.33Å; L291-F389 HydrophobicContact CB-CE2 4.4Å; L291-F389 HydrophobicContact CB-CZ 3.96Å; L295-F389 HydrophobicContact CD1-CD1 3.72Å; L295-F389 HydrophobicContact CD1-CE1 3.66Å; L295-F389 HydrophobicContact CD1-CG 4.24Å; L295-F389 HydrophobicContact CD1-CZ 4.16Å; L295-F389 HydrophobicContact CD2-CD2 4.3Å; L295-F389 HydrophobicContact CD2-CE1 4.32Å; L295-F389 HydrophobicContact CD2-CE2 3.95Å; L295-F389 HydrophobicContact CD2-CZ 3.95Å; L295-F389 HydrophobicContact CG-CE1 4.33Å; L295-F389 HydrophobicContact CG-CZ 4.37Å; L385-F389 HydrophobicContact CD2-CD2 4.01Å; L385-F389 HydrophobicContact CD2-CE2 3.69Å; L385-F389 WeakPolarHBondContact O-CB 3.33Å; L385-F389 WeakPolarHBondContact O-CD2 3.44Å; L385-F389 PolarHBondContact O-N 3.42Å; F389-E391 PolarHBondContact O-N 3.27Å; F389-E392 HydrophobicContact CB-CB 4.45Å; F389-E392 VanDerWaalsContact O-CB 3.28Å; F389-E392 WeakPolarHBondContact O-CB 3.47Å; F389-E392 PolarHBondContact O-N 3.39Å; F389-E392 VanDerWaalsContact O-N 3.12Å; F389-L393 HydrophobicContact CB-CB 4.24Å; F389-L393 HydrophobicContact CB-CD1 4.28Å |
| 390 | R | 95.7 | Very high | 95.4 | Very high | 150 Ų | 150 | 42.1 Ų | 42.1 | 57% | 0.566 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | 49.2 | -130.6 | -178.5 | -53.9 | -173.3 | 176.4 | -146.1 | -4.8 | 111.4 | A386 E392 L393 G426 C427 | A386-R390 WeakPolarHBondContact O-CA 3.27Å; A386-R390 PolarHBondContact O-N 3.38Å; R390-E392 PolarHBondContact O-N 3.36Å; R390-L393 WeakPolarHBondContact O-CB 3.49Å; R390-L393 PolarHBondContact O-N 3.36Å; R390-G426 WeakPolarHBondContact CA-O 3.45Å; R390-G426 WeakPolarHBondContact CB-O 3.38Å; R390-C427 PolarHBondContact O-SG 3.32Å |
| 391 | E | 94.4 | Very high | 95.4 | Very high | 88 Ų | 88 | 41 Ų | 41 | 41% | 0.411 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -63 | -17.6 | -176.1 | -56.1 | 83.6 | 177.3 | 0 | 0 | 113.9 | F389 L393 L394 P395 | F389-E391 PolarHBondContact O-N 3.27Å; E391-L393 PolarHBondContact O-N 3.19Å; E391-L394 HydrophobicContact CB-CD1 4.39Å; E391-L394 PolarHBondContact O-N 3.47Å; E391-P395 WeakPolarHBondContact O-CD 3.39Å |
| 392 | E | 94.8 | Very high | 95.1 | Very high | 98 Ų | 98 | 48.9 Ų | 48.9 | 46% | 0.458 | 25% | 0.246 | S | C | . | . | G | 310 helix | trans | -65.9 | -20.1 | 175 | -60.6 | 175.7 | -153.3 | 0 | 0 | 112.3 | K288 F389 R390 P395 | K288-E392 WeakPolarHBondContact CE-OE1 3.29Å; K288-E392 WeakPolarHBondContact CE-OE2 3.4Å; K288-E392 VanDerWaalsContact NZ-CD 3.29Å; K288-E392 IonicContact NZ-OE1 3.5Å; K288-E392 PolarHBondContact NZ-OE1 3.01Å; K288-E392 IonicContact NZ-OE2 2.7Å; K288-E392 PolarHBondContact NZ-OE2 2.92Å; F389-E392 HydrophobicContact CB-CB 4.45Å; F389-E392 VanDerWaalsContact O-CB 3.28Å; F389-E392 WeakPolarHBondContact O-CB 3.47Å; F389-E392 PolarHBondContact O-N 3.39Å; F389-E392 VanDerWaalsContact O-N 3.12Å; R390-E392 PolarHBondContact O-N 3.36Å; E392-P395 WeakPolarHBondContact O-CD 3.36Å |
| 393 | L | 95.7 | Very high | 94.8 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -78.1 | -30.7 | 177.7 | -155.2 | 65.5 | 0 | 0 | 0 | 112.8 | L295 I299 L382 A386 F389 R390 E391 H396 L397 | L295-L393 HydrophobicContact CD2-CD1 4.38Å; I299-L393 HydrophobicContact CD1-CD1 3.49Å; I299-L393 VanDerWaalsContact CD1-CD1 3.49Å; I299-L393 HydrophobicContact CD1-CD2 4.47Å; I299-L393 HydrophobicContact CD1-CG 4.22Å; I299-L393 HydrophobicContact CG1-CD1 3.99Å; L382-L393 HydrophobicContact CD1-CD2 4.07Å; A386-L393 HydrophobicContact CB-CD2 3.98Å; F389-L393 HydrophobicContact CB-CB 4.24Å; F389-L393 HydrophobicContact CB-CD1 4.28Å; R390-L393 WeakPolarHBondContact O-CB 3.49Å; R390-L393 PolarHBondContact O-N 3.36Å; E391-L393 PolarHBondContact O-N 3.19Å; L393-H396 WeakPolarHBondContact O-CB 3.4Å; L393-H396 PolarHBondContact O-N 3.08Å; L393-H396 VanDerWaalsContact O-N 3.07Å; L393-L397 HydrophobicContact CB-CD1 4.26Å; L393-L397 HydrophobicContact CD2-CD1 3.58Å; L393-L397 HydrophobicContact CG-CD1 3.6Å; L393-L397 HydrophobicContact CG-CG 4.25Å; L393-L397 PolarHBondContact O-N 3.33Å |
| 394 | L | 95.5 | Very high | 94.8 | Very high | 11 Ų | 11 | 50.6 Ų | 50.6 | 6% | 0.058 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.5 | -40.8 | -171.3 | -66.7 | 178.8 | 0 | 0 | 0 | 114.9 | E391 H396 L397 L398 I423 C427 M431 | E391-L394 HydrophobicContact CB-CD1 4.39Å; E391-L394 PolarHBondContact O-N 3.47Å; L394-H396 PolarHBondContact O-N 2.83Å; L394-H396 VanDerWaalsContact O-N 3.13Å; L394-L397 PolarHBondContact O-N 3.28Å; L394-L397 VanDerWaalsContact O-N 3.15Å; L394-L398 HydrophobicContact CB-CD1 4.16Å; L394-L398 HydrophobicContact CB-CG 4.35Å; L394-L398 WeakPolarHBondContact O-CB 3.32Å; L394-L398 VanDerWaalsContact O-CG 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.14Å; L394-L398 PolarHBondContact O-N 3.05Å; L394-I423 HydrophobicContact CD2-CD1 4.26Å; L394-C427 HydrophobicContact CD1-CB 4.46Å; L394-C427 HydrophobicContact CD2-CB 3.82Å; L394-C427 HydrophobicContact CG-CB 4.21Å; L394-M431 HydrophobicContact CD2-CG 4.04Å; L394-M431 HydrophobicContact CD2-SD 3.6Å |
| 395 | P | 95 | Very high | 94.9 | Very high | 87 Ų | 87 | 48.9 Ų | 48.9 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -58.7 | -25.9 | 176.5 | -25.7 | 35.7 | 0 | 0 | 0 | 113.9 | E391 E392 P399 | E391-P395 WeakPolarHBondContact O-CD 3.39Å; E392-P395 WeakPolarHBondContact O-CD 3.36Å; P395-P399 WeakPolarHBondContact O-CD 3.4Å; P395-P399 WeakPolarHBondContact O-CG 3.09Å |
| 396 | H | 94.5 | Very high | 94.7 | Very high | 60 Ų | 60 | 54.2 Ų | 54.2 | 28% | 0.278 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -86.4 | -33.3 | 178.3 | -56.9 | -61.1 | 0 | 0 | 0 | 112.3 | V296 I299 L393 L394 | V296-H396 VanDerWaalsContact CG2-CE1 3.44Å; V296-H396 WeakPolarHBondContact CG2-CE1 3.24Å; I299-H396 HydrophobicContact CB-CB 4.49Å; I299-H396 HydrophobicContact CG1-CB 4.43Å; I299-H396 HydrophobicContact CG2-CB 4.43Å; L393-H396 WeakPolarHBondContact O-CB 3.4Å; L393-H396 PolarHBondContact O-N 3.08Å; L393-H396 VanDerWaalsContact O-N 3.07Å; L394-H396 PolarHBondContact O-N 2.83Å; L394-H396 VanDerWaalsContact O-N 3.13Å |
| 397 | L | 94.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -86.6 | -44.2 | -176.4 | -76.7 | 167.9 | 0 | 0 | 0 | 114.4 | I299 V303 L382 L393 L394 P399 L400 L401 V419 I423 | I299-L397 HydrophobicContact CG2-CD2 3.39Å; I299-L397 HydrophobicContact CG2-CG 3.82Å; V303-L397 HydrophobicContact CG2-CD2 3.92Å; L382-L397 HydrophobicContact CD1-CD2 4.31Å; L382-L397 HydrophobicContact CD2-CD2 4.29Å; L393-L397 HydrophobicContact CB-CD1 4.26Å; L393-L397 HydrophobicContact CD2-CD1 3.58Å; L393-L397 HydrophobicContact CG-CD1 3.6Å; L393-L397 HydrophobicContact CG-CG 4.25Å; L393-L397 PolarHBondContact O-N 3.33Å; L394-L397 PolarHBondContact O-N 3.28Å; L394-L397 VanDerWaalsContact O-N 3.15Å; L397-P399 VanDerWaalsContact C-CD 3.43Å; L397-P399 VanDerWaalsContact C-N 3.34Å; L397-L400 WeakPolarHBondContact O-CA 3.4Å; L397-L400 WeakPolarHBondContact O-CB 3.4Å; L397-L400 PolarHBondContact O-N 3.01Å; L397-L401 PolarHBondContact O-N 3.18Å; L397-V419 HydrophobicContact CD2-CG1 4Å; L397-I423 HydrophobicContact CD1-CD1 4.02Å; L397-I423 HydrophobicContact CD1-CG2 3.75Å |
| 398 | L | 93.8 | Very high | 94.7 | Very high | 46 Ų | 46 | 60.5 Ų | 60.5 | 24% | 0.241 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -55 | -40 | -174.2 | -70.3 | 172.7 | 0 | 0 | 0 | 113.8 | L394 L400 L401 K402 M431 Y434 | L394-L398 HydrophobicContact CB-CD1 4.16Å; L394-L398 HydrophobicContact CB-CG 4.35Å; L394-L398 WeakPolarHBondContact O-CB 3.32Å; L394-L398 VanDerWaalsContact O-CG 3.29Å; L394-L398 WeakPolarHBondContact O-CG 3.14Å; L394-L398 PolarHBondContact O-N 3.05Å; L398-L400 VanDerWaalsContact C-N 3.29Å; L398-L400 PolarHBondContact O-N 3.08Å; L398-L401 HydrophobicContact CD2-CD1 4.5Å; L398-K402 PolarHBondContact O-N 2.78Å; L398-M431 HydrophobicContact CD2-SD 4.12Å; L398-Y434 HydrophobicContact CD1-CE2 3.99Å; L398-Y434 HydrophobicContact CD2-CD2 4.5Å; L398-Y434 HydrophobicContact CD2-CE2 4.28Å |
| 399 | P | 93.3 | Very high | 94.7 | Very high | 88 Ų | 88 | 61.8 Ų | 61.8 | 57% | 0.571 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -62.6 | -35.2 | 175 | -22.7 | 34.8 | 0 | 0 | 0 | 113.3 | P395 L397 | P395-P399 WeakPolarHBondContact O-CD 3.4Å; P395-P399 WeakPolarHBondContact O-CG 3.09Å; L397-P399 VanDerWaalsContact C-CD 3.43Å; L397-P399 VanDerWaalsContact C-N 3.34Å |
| 400 | L | 95.3 | Very high | 94.7 | Very high | 56 Ų | 56 | 63.7 Ų | 63.7 | 29% | 0.293 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.6 | -51.4 | 177.7 | -58.9 | 175.2 | 0 | 0 | 0 | 110.1 | I299 P300 V303 L397 L398 K402 G403 L404 | I299-L400 HydrophobicContact CG2-CD1 4.18Å; P300-L400 HydrophobicContact CB-CD1 4.43Å; P300-L400 HydrophobicContact CG-CD1 4.22Å; V303-L400 HydrophobicContact CB-CD1 4.42Å; V303-L400 HydrophobicContact CG1-CD1 4.44Å; V303-L400 HydrophobicContact CG2-CD1 4.21Å; L397-L400 WeakPolarHBondContact O-CA 3.4Å; L397-L400 WeakPolarHBondContact O-CB 3.4Å; L397-L400 PolarHBondContact O-N 3.01Å; L398-L400 VanDerWaalsContact C-N 3.29Å; L398-L400 PolarHBondContact O-N 3.08Å; L400-K402 VanDerWaalsContact C-N 3.25Å; L400-K402 PolarHBondContact O-N 3.36Å; L400-K402 VanDerWaalsContact O-N 3.17Å; L400-G403 WeakPolarHBondContact O-CA 3.34Å; L400-G403 PolarHBondContact O-N 3.18Å; L400-L404 HydrophobicContact CB-CD1 4.45Å; L400-L404 WeakPolarHBondContact O-CG 3.12Å; L400-L404 PolarHBondContact O-N 2.93Å; L400-L404 VanDerWaalsContact O-N 3.1Å |
| 401 | L | 94.1 | Very high | 94.7 | Very high | 6 Ų | 6 | 57.7 Ų | 57.7 | 3% | 0.031 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -51.7 | -42.5 | -178.8 | -82.7 | 173.9 | 0 | 0 | 0 | 112.8 | L397 L398 G403 L404 L405 G416 V419 L420 I423 | L397-L401 PolarHBondContact O-N 3.18Å; L398-L401 HydrophobicContact CD2-CD1 4.5Å; L401-G403 VanDerWaalsContact C-N 3.26Å; L401-G403 PolarHBondContact O-N 2.67Å; L401-L404 PolarHBondContact O-N 2.93Å; L401-L404 VanDerWaalsContact O-N 3.1Å; L401-L405 HydrophobicContact CB-CD1 4.33Å; L401-L405 HydrophobicContact CD2-CD1 4.37Å; L401-L405 HydrophobicContact CD2-CG 4.36Å; L401-L405 WeakPolarHBondContact O-CB 3.37Å; L401-L405 WeakPolarHBondContact O-CG 3.49Å; L401-L405 PolarHBondContact O-N 2.91Å; L401-G416 WeakPolarHBondContact CD2-O 3.28Å; L401-V419 HydrophobicContact CD2-CB 3.93Å; L401-V419 HydrophobicContact CD2-CG1 3.62Å; L401-V419 HydrophobicContact CG-CG1 4.12Å; L401-L420 HydrophobicContact CD2-CB 4.31Å; L401-I423 HydrophobicContact CD1-CD1 4.06Å |
| 402 | K | 90.1 | Very high | 94.9 | Very high | 164 Ų | 164 | 55.3 Ų | 55.3 | 71% | 0.713 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -59.7 | -35.4 | 177.7 | -172.7 | 174.3 | -177.1 | 172.9 | 0 | 113.2 | L398 L400 | L398-K402 PolarHBondContact O-N 2.78Å; L400-K402 VanDerWaalsContact C-N 3.25Å; L400-K402 PolarHBondContact O-N 3.36Å; L400-K402 VanDerWaalsContact O-N 3.17Å |
| 403 | G | 92.1 | Very high | 95 | Very high | 48 Ų | 48 | 52.4 Ų | 52.4 | 50% | 0.495 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -78.2 | -27.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L400 L401 | L400-G403 WeakPolarHBondContact O-CA 3.34Å; L400-G403 PolarHBondContact O-N 3.18Å; L401-G403 VanDerWaalsContact C-N 3.26Å; L401-G403 PolarHBondContact O-N 2.67Å |
| 404 | L | 96.8 | Very high | 95.1 | Very high | 20 Ų | 20 | 52.4 Ų | 52.4 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -84.3 | -55.2 | -176.6 | -59.6 | 170.6 | 0 | 0 | 0 | 112 | V303 L400 L401 F406 H407 I412 K413 | V303-L404 HydrophobicContact CG1-CD1 3.55Å; L400-L404 HydrophobicContact CB-CD1 4.45Å; L400-L404 WeakPolarHBondContact O-CG 3.12Å; L400-L404 PolarHBondContact O-N 2.93Å; L400-L404 VanDerWaalsContact O-N 3.1Å; L401-L404 PolarHBondContact O-N 2.93Å; L401-L404 VanDerWaalsContact O-N 3.1Å; L404-F406 PolarHBondContact O-N 2.96Å; L404-H407 VanDerWaalsContact O-CB 3.26Å; L404-H407 WeakPolarHBondContact O-CB 3.44Å; L404-H407 PolarHBondContact O-N 3.32Å; L404-I412 HydrophobicContact CD2-CG2 3.54Å; L404-K413 WeakPolarHBondContact O-CA 3.48Å |
| 405 | L | 95.7 | Very high | 95.2 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 28% | 0.283 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.9 | -169.8 | -71.1 | 170.7 | 0 | 0 | 0 | 114.4 | L401 K413 G416 I417 L420 L438 H441 | L401-L405 HydrophobicContact CB-CD1 4.33Å; L401-L405 HydrophobicContact CD2-CD1 4.37Å; L401-L405 HydrophobicContact CD2-CG 4.36Å; L401-L405 WeakPolarHBondContact O-CB 3.37Å; L401-L405 WeakPolarHBondContact O-CG 3.49Å; L401-L405 PolarHBondContact O-N 2.91Å; L405-K413 WeakPolarHBondContact O-CG 3.45Å; L405-G416 WeakPolarHBondContact CD2-O 3.41Å; L405-I417 HydrophobicContact CD2-CG1 3.97Å; L405-L420 HydrophobicContact CD1-CD2 4.38Å; L405-L420 HydrophobicContact CD2-CD2 4.25Å; L405-L438 HydrophobicContact CD1-CD2 3.84Å; L405-H441 PolarHBondContact O-NE2 3.17Å |
| 406 | F | 93.2 | Very high | 95.3 | Very high | 111 Ų | 111 | 47.7 Ų | 47.7 | 49% | 0.487 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | 11.1 | -177.8 | -55.5 | -77.4 | 0 | 0 | 0 | 113 | L404 H441 | L404-F406 PolarHBondContact O-N 2.96Å; F406-H441 AromaticContact CD1-CE1 3.72Å; F406-H441 AromaticContact CD1-NE2 3.75Å; F406-H441 AromaticContact CE1-CD2 3.69Å; F406-H441 AromaticContact CE1-CE1 3.53Å; F406-H441 AromaticContact CE1-CG 3.81Å; F406-H441 AromaticContact CE1-ND1 3.72Å; F406-H441 AromaticContact CE1-NE2 3.5Å |
| 407 | H | 96.6 | Very high | 95.5 | Very high | 63 Ų | 63 | 44.9 Ų | 44.9 | 29% | 0.292 | 24% | 0.243 | S | C | . | . | trans | -67.7 | 140.5 | -178.8 | -162.1 | -89.4 | 0 | 0 | 0 | 111 | L404 D409 I412 K413 | L404-H407 VanDerWaalsContact O-CB 3.26Å; L404-H407 WeakPolarHBondContact O-CB 3.44Å; L404-H407 PolarHBondContact O-N 3.32Å; H407-D409 VanDerWaalsContact C-N 3.34Å; H407-D409 VanDerWaalsContact CE1-CB 3.44Å; H407-D409 WeakPolarHBondContact CE1-CB 3.19Å; H407-D409 WeakPolarHBondContact ND1-CB 3.16Å; H407-D409 PolarHBondContact ND1-N 2.95Å; H407-I412 HydrophobicContact CB-CB 4.05Å; H407-I412 HydrophobicContact CB-CG2 3.62Å; H407-I412 VanDerWaalsContact CE1-CD1 3.43Å; H407-I412 WeakPolarHBondContact CE1-CD1 3.24Å; H407-K413 WeakPolarHBondContact O-CE 3.25Å | ||
| 408 | P | 95.1 | Very high | 95.7 | Very high | 123 Ų | 123 | 45.6 Ų | 45.6 | 80% | 0.799 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -71.6 | -27.4 | 179.7 | 27.4 | -36.2 | 0 | 0 | 0 | 113.5 | ||
| 409 | D | 96.6 | Very high | 95.9 | Very high | 72 Ų | 72 | 43.4 Ų | 43.4 | 39% | 0.385 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -73.7 | 123.7 | 170.9 | -167.2 | -24.1 | 0 | 0 | 0 | 109.8 | H407 V411 I412 K413 | H407-D409 VanDerWaalsContact C-N 3.34Å; H407-D409 VanDerWaalsContact CE1-CB 3.44Å; H407-D409 WeakPolarHBondContact CE1-CB 3.19Å; H407-D409 WeakPolarHBondContact ND1-CB 3.16Å; H407-D409 PolarHBondContact ND1-N 2.95Å; D409-V411 VanDerWaalsContact C-N 3.31Å; D409-V411 PolarHBondContact O-N 2.85Å; D409-V411 PolarHBondContact OD1-N 2.95Å; D409-I412 HydrophobicContact CB-CB 4.46Å; D409-I412 HydrophobicContact CB-CD1 4.22Å; D409-I412 HydrophobicContact CB-CG1 4.41Å; D409-I412 PolarHBondContact O-N 2.99Å; D409-K413 WeakPolarHBondContact O-CB 3.44Å; D409-K413 PolarHBondContact O-N 3.23Å |
| 410 | W | 95.7 | Very high | 96.1 | Very high | 42 Ų | 42 | 39.3 Ų | 39.3 | 16% | 0.159 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -65.9 | -32.7 | -176.1 | 75.5 | -88.4 | 0 | 0 | 0 | 112 | Y308 I313 I412 K413 E414 K450 L452 V453 | Y308-W410 HydrophobicContact CD2-CZ3 4.38Å; I313-W410 HydrophobicContact CD1-CH2 4.19Å; I313-W410 HydrophobicContact CD1-CZ2 4.09Å; I313-W410 HydrophobicContact CG1-CH2 4.01Å; I313-W410 HydrophobicContact CG1-CZ2 4.25Å; I313-W410 HydrophobicContact CG2-CH2 4.42Å; I313-W410 HydrophobicContact CG2-CZ2 4.14Å; W410-I412 VanDerWaalsContact C-N 3.32Å; W410-I412 PolarHBondContact O-N 3.18Å; W410-K413 PolarHBondContact O-N 2.82Å; W410-E414 HydrophobicContact CE3-CB 4.28Å; W410-E414 HydrophobicContact CZ3-CG 4.46Å; W410-E414 WeakPolarHBondContact O-CB 3.27Å; W410-E414 PolarHBondContact O-N 3Å; W410-K450 HydrophobicContact CB-CB 4.44Å; W410-K450 HydrophobicContact CB-CG 4Å; W410-K450 HydrophobicContact CD2-CG 4.13Å; W410-K450 HydrophobicContact CG-CB 4.48Å; W410-K450 HydrophobicContact CG-CG 3.8Å; W410-L452 HydrophobicContact CE3-CB 4.47Å; W410-L452 HydrophobicContact CH2-CB 4.45Å; W410-L452 HydrophobicContact CH2-CD1 3.51Å; W410-L452 HydrophobicContact CZ3-CB 3.78Å; W410-L452 HydrophobicContact CZ3-CD1 3.69Å; W410-L452 HydrophobicContact CZ3-CG 4.37Å; W410-V453 HydrophobicContact CB-CG2 3.97Å; W410-V453 HydrophobicContact CE3-CG2 4.13Å |
| 411 | V | 96.2 | Very high | 96.2 | Very high | 23 Ų | 23 | 36.6 Ų | 36.6 | 14% | 0.139 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.2 | -41.1 | -179.9 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | K307 I313 D409 S415 | K307-V411 HydrophobicContact CB-CG1 4.28Å; I313-V411 HydrophobicContact CD1-CG2 3.91Å; D409-V411 VanDerWaalsContact C-N 3.31Å; D409-V411 PolarHBondContact O-N 2.85Å; D409-V411 PolarHBondContact OD1-N 2.95Å; V411-S415 PolarHBondContact O-N 3.39Å; V411-S415 VanDerWaalsContact O-N 3.12Å; V411-S415 PolarHBondContact O-OG 2.95Å |
| 412 | I | 97.4 | Very high | 96.3 | Very high | 39 Ų | 39 | 36.4 Ų | 36.4 | 20% | 0.2 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.4 | -43.8 | 177.8 | -64.5 | 172.8 | 0 | 0 | 0 | 110.2 | L404 H407 D409 W410 S415 G416 | L404-I412 HydrophobicContact CD2-CG2 3.54Å; H407-I412 HydrophobicContact CB-CB 4.05Å; H407-I412 HydrophobicContact CB-CG2 3.62Å; H407-I412 VanDerWaalsContact CE1-CD1 3.43Å; H407-I412 WeakPolarHBondContact CE1-CD1 3.24Å; D409-I412 HydrophobicContact CB-CB 4.46Å; D409-I412 HydrophobicContact CB-CD1 4.22Å; D409-I412 HydrophobicContact CB-CG1 4.41Å; D409-I412 PolarHBondContact O-N 2.99Å; W410-I412 VanDerWaalsContact C-N 3.32Å; W410-I412 PolarHBondContact O-N 3.18Å; I412-S415 PolarHBondContact O-N 2.97Å; I412-S415 PolarHBondContact O-OG 3.09Å; I412-G416 PolarHBondContact O-N 2.9Å; I412-G416 VanDerWaalsContact O-N 3.11Å |
| 413 | K | 97.9 | Very high | 96.6 | Very high | 36 Ų | 36 | 28.6 Ų | 28.6 | 16% | 0.157 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.6 | -51 | 176.3 | -170.5 | -164.7 | -61.7 | -177.2 | 0 | 111.8 | L404 L405 H407 D409 W410 S415 G416 I417 D448 V453 | L404-K413 WeakPolarHBondContact O-CA 3.48Å; L405-K413 WeakPolarHBondContact O-CG 3.45Å; H407-K413 WeakPolarHBondContact O-CE 3.25Å; D409-K413 WeakPolarHBondContact O-CB 3.44Å; D409-K413 PolarHBondContact O-N 3.23Å; W410-K413 PolarHBondContact O-N 2.82Å; K413-S415 PolarHBondContact O-N 2.86Å; K413-G416 WeakPolarHBondContact O-CA 3.38Å; K413-G416 PolarHBondContact O-N 2.91Å; K413-I417 HydrophobicContact CD-CD1 4.47Å; K413-I417 HydrophobicContact CG-CD1 4.28Å; K413-I417 WeakPolarHBondContact O-CG1 3.4Å; K413-I417 PolarHBondContact O-N 3.33Å; K413-D448 IonicContact NZ-OD2 3.09Å; K413-D448 PolarHBondContact NZ-OD2 3.33Å; K413-V453 HydrophobicContact CD-CG1 4.27Å |
| 414 | E | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -56.2 | -48.7 | 179.3 | -171.2 | -65.9 | 141.3 | 0 | 0 | 110.3 | Y308 R375 W410 G416 I417 L418 V453 I456 | Y308-E414 HydrophobicContact CE2-CG 4.19Å; R375-E414 IonicContact CZ-OE1 3.6Å; R375-E414 IonicContact CZ-OE2 2.71Å; R375-E414 IonicContact NH1-OE1 2.86Å; R375-E414 IonicContact NH1-OE2 2.73Å; R375-E414 PolarHBondContact NH1-OE2 3.27Å; R375-E414 IonicContact NH2-OE1 2.73Å; R375-E414 PolarHBondContact NH2-OE1 3.34Å; R375-E414 IonicContact NH2-OE2 3.27Å; R375-E414 PolarHBondContact NH2-OE2 3.01Å; R375-E414 VanDerWaalsContact NH2-OE2 3.12Å; W410-E414 HydrophobicContact CE3-CB 4.28Å; W410-E414 HydrophobicContact CZ3-CG 4.46Å; W410-E414 WeakPolarHBondContact O-CB 3.27Å; W410-E414 PolarHBondContact O-N 3Å; E414-G416 PolarHBondContact O-N 3.42Å; E414-I417 WeakPolarHBondContact O-CB 3.29Å; E414-I417 PolarHBondContact O-N 2.73Å; E414-L418 PolarHBondContact O-N 3.33Å; E414-V453 HydrophobicContact CB-CG2 4.17Å; E414-I456 HydrophobicContact CG-CG2 3.78Å; E414-I456 WeakPolarHBondContact OE1-CB 3.1Å |
| 415 | S | 97.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.2 | -33.5 | 175.8 | 69.9 | 0 | 0 | 0 | 0 | 113.1 | V411 I412 K413 V419 | V411-S415 PolarHBondContact O-N 3.39Å; V411-S415 VanDerWaalsContact O-N 3.12Å; V411-S415 PolarHBondContact O-OG 2.95Å; I412-S415 PolarHBondContact O-N 2.97Å; I412-S415 PolarHBondContact O-OG 3.09Å; K413-S415 PolarHBondContact O-N 2.86Å; S415-V419 WeakPolarHBondContact O-CG2 3.25Å; S415-V419 PolarHBondContact O-N 2.92Å |
| 416 | G | 98.2 | Very high | 96.2 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -68 | -36.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L401 L405 I412 K413 E414 L420 | L401-G416 WeakPolarHBondContact CD2-O 3.28Å; L405-G416 WeakPolarHBondContact CD2-O 3.41Å; I412-G416 PolarHBondContact O-N 2.9Å; I412-G416 VanDerWaalsContact O-N 3.11Å; K413-G416 WeakPolarHBondContact O-CA 3.38Å; K413-G416 PolarHBondContact O-N 2.91Å; E414-G416 PolarHBondContact O-N 3.42Å; G416-L420 PolarHBondContact O-N 3.06Å; G416-L420 VanDerWaalsContact O-N 3.09Å |
| 417 | I | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -68.6 | -45.1 | 175.8 | -62.3 | 168.3 | 0 | 0 | 0 | 109.4 | L405 K413 E414 V419 L420 G421 L442 C445 V453 I456 T460 | L405-I417 HydrophobicContact CD2-CG1 3.97Å; K413-I417 HydrophobicContact CD-CD1 4.47Å; K413-I417 HydrophobicContact CG-CD1 4.28Å; K413-I417 WeakPolarHBondContact O-CG1 3.4Å; K413-I417 PolarHBondContact O-N 3.33Å; E414-I417 WeakPolarHBondContact O-CB 3.29Å; E414-I417 PolarHBondContact O-N 2.73Å; I417-V419 PolarHBondContact O-N 3.49Å; I417-L420 WeakPolarHBondContact O-CB 3.14Å; I417-L420 PolarHBondContact O-N 3.49Å; I417-L420 VanDerWaalsContact O-N 3.08Å; I417-G421 PolarHBondContact O-N 3.07Å; I417-L442 HydrophobicContact CG1-CD2 4.13Å; I417-L442 HydrophobicContact CG2-CD2 3.8Å; I417-C445 HydrophobicContact CD1-CB 4.22Å; I417-V453 HydrophobicContact CD1-CG1 3.97Å; I417-I456 HydrophobicContact CB-CG1 4.47Å; I417-I456 HydrophobicContact CB-CG2 3.99Å; I417-I456 HydrophobicContact CD1-CG2 4.36Å; I417-I456 HydrophobicContact CG2-CB 4.47Å; I417-I456 HydrophobicContact CG2-CG1 4.1Å; I417-I456 HydrophobicContact CG2-CG2 3.82Å; I417-T460 HydrophobicContact CG2-CG2 4.08Å; I417-T460 VanDerWaalsContact CG2-OG1 3.26Å; I417-T460 WeakPolarHBondContact CG2-OG1 3.32Å; I417-T460 PolarHBondContact O-OG1 3Å; I417-T460 VanDerWaalsContact O-OG1 3.11Å |
| 418 | L | 97.9 | Very high | 96.3 | Very high | 15 Ų | 15 | 23.6 Ų | 23.6 | 8% | 0.079 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56.7 | -47.2 | 173.5 | 176.9 | 63.6 | 0 | 0 | 0 | 112 | M306 R375 A379 E414 L420 G421 A422 I456 W459 | M306-L418 HydrophobicContact CB-CD2 4.13Å; M306-L418 HydrophobicContact CE-CB 4.32Å; M306-L418 HydrophobicContact CE-CD2 3.79Å; M306-L418 HydrophobicContact CE-CG 3.54Å; R375-L418 HydrophobicContact CG-CD2 4.48Å; A379-L418 HydrophobicContact CB-CD1 4.46Å; A379-L418 HydrophobicContact CB-CD2 4.22Å; A379-L418 HydrophobicContact CB-CG 4.49Å; E414-L418 PolarHBondContact O-N 3.33Å; L418-L420 VanDerWaalsContact C-N 3.26Å; L418-L420 PolarHBondContact O-N 3.13Å; L418-G421 PolarHBondContact O-N 3.12Å; L418-A422 WeakPolarHBondContact O-CB 3.48Å; L418-A422 PolarHBondContact O-N 3.39Å; L418-I456 HydrophobicContact CB-CD1 4Å; L418-I456 HydrophobicContact CB-CG1 3.95Å; L418-I456 HydrophobicContact CD1-CD1 3.67Å; L418-I456 HydrophobicContact CG-CD1 4.39Å; L418-W459 HydrophobicContact CD1-CE3 4.42Å; L418-W459 HydrophobicContact CD1-CH2 4.22Å; L418-W459 HydrophobicContact CD1-CZ3 3.8Å |
| 419 | V | 98.4 | Very high | 96.2 | Very high | 1 Ų | 1 | 24.5 Ų | 24.5 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58 | -40.3 | 175.7 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | V303 M306 L382 L397 L401 S415 I417 G421 I423 | V303-V419 HydrophobicContact CB-CG2 4.43Å; V303-V419 HydrophobicContact CG1-CG2 4.12Å; V303-V419 HydrophobicContact CG2-CG1 4.37Å; V303-V419 HydrophobicContact CG2-CG2 4Å; M306-V419 HydrophobicContact CE-CB 4.23Å; M306-V419 HydrophobicContact CE-CG2 3.53Å; M306-V419 HydrophobicContact SD-CG2 3.59Å; M306-V419 VanDerWaalsContact SD-CG2 3.59Å; L382-V419 HydrophobicContact CD2-CG1 4Å; L382-V419 HydrophobicContact CD2-CG2 4.3Å; L397-V419 HydrophobicContact CD2-CG1 4Å; L401-V419 HydrophobicContact CD2-CB 3.93Å; L401-V419 HydrophobicContact CD2-CG1 3.62Å; L401-V419 HydrophobicContact CG-CG1 4.12Å; S415-V419 WeakPolarHBondContact O-CG2 3.25Å; S415-V419 PolarHBondContact O-N 2.92Å; I417-V419 PolarHBondContact O-N 3.49Å; V419-G421 VanDerWaalsContact C-N 3.34Å; V419-I423 WeakPolarHBondContact O-CG1 3.2Å; V419-I423 WeakPolarHBondContact O-CG2 3.43Å; V419-I423 PolarHBondContact O-N 3.11Å |
| 420 | L | 98.1 | Very high | 96.2 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.7 | -37.2 | 179.8 | 179.4 | 61.2 | 0 | 0 | 0 | 112.2 | L401 L405 G416 I417 L418 M431 L438 L442 T460 Y464 | L401-L420 HydrophobicContact CD2-CB 4.31Å; L405-L420 HydrophobicContact CD1-CD2 4.38Å; L405-L420 HydrophobicContact CD2-CD2 4.25Å; G416-L420 PolarHBondContact O-N 3.06Å; G416-L420 VanDerWaalsContact O-N 3.09Å; I417-L420 WeakPolarHBondContact O-CB 3.14Å; I417-L420 PolarHBondContact O-N 3.49Å; I417-L420 VanDerWaalsContact O-N 3.08Å; L418-L420 VanDerWaalsContact C-N 3.26Å; L418-L420 PolarHBondContact O-N 3.13Å; L420-M431 HydrophobicContact CD1-CE 3.36Å; L420-L438 HydrophobicContact CD1-CD1 3.99Å; L420-L438 HydrophobicContact CD2-CB 4.49Å; L420-L438 HydrophobicContact CD2-CD1 4.31Å; L420-L442 HydrophobicContact CD2-CD1 3.84Å; L420-L442 HydrophobicContact CD2-CD2 4.27Å; L420-L442 HydrophobicContact CD2-CG 4.3Å; L420-T460 HydrophobicContact CB-CG2 4.25Å; L420-T460 HydrophobicContact CD2-CG2 4.37Å; L420-T460 HydrophobicContact CG-CG2 4.16Å; L420-Y464 HydrophobicContact CD1-CE2 4.4Å; L420-Y464 HydrophobicContact CG-CE2 4.15Å; L420-Y464 WeakPolarHBondContact O-CE2 2.86Å; L420-Y464 PolarHBondContact O-OH 3.39Å |
| 421 | G | 96.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -73.7 | -42.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I417 L418 V419 I423 A424 | I417-G421 PolarHBondContact O-N 3.07Å; L418-G421 PolarHBondContact O-N 3.12Å; V419-G421 VanDerWaalsContact C-N 3.34Å; G421-I423 PolarHBondContact O-N 3.03Å; G421-A424 WeakPolarHBondContact O-CB 3.28Å; G421-A424 PolarHBondContact O-N 2.81Å |
| 422 | A | 95.7 | Very high | 96.3 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 2% | 0.017 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.6 | -25.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | M306 D383 L418 | M306-A422 HydrophobicContact CE-CB 4.19Å; D383-A422 VanDerWaalsContact CA-O 3.28Å; D383-A422 WeakPolarHBondContact CA-O 3.44Å; D383-A422 WeakPolarHBondContact CB-O 3.45Å; L418-A422 WeakPolarHBondContact O-CB 3.48Å; L418-A422 PolarHBondContact O-N 3.39Å |
| 423 | I | 97.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -1 | 179.2 | 70 | 177.2 | 0 | 0 | 0 | 113.4 | L382 A386 L394 L397 L401 V419 G421 E425 C427 M431 | L382-I423 HydrophobicContact CD2-CG2 4.12Å; L382-I423 HydrophobicContact CG-CG2 4.06Å; A386-I423 HydrophobicContact CB-CB 4.09Å; A386-I423 HydrophobicContact CB-CG2 4.15Å; L394-I423 HydrophobicContact CD2-CD1 4.26Å; L397-I423 HydrophobicContact CD1-CD1 4.02Å; L397-I423 HydrophobicContact CD1-CG2 3.75Å; L401-I423 HydrophobicContact CD1-CD1 4.06Å; V419-I423 WeakPolarHBondContact O-CG1 3.2Å; V419-I423 WeakPolarHBondContact O-CG2 3.43Å; V419-I423 PolarHBondContact O-N 3.11Å; G421-I423 PolarHBondContact O-N 3.03Å; I423-E425 PolarHBondContact O-N 2.99Å; I423-C427 HydrophobicContact CB-CB 4.4Å; I423-C427 VanDerWaalsContact O-CB 3.22Å; I423-C427 WeakPolarHBondContact O-CB 3.2Å; I423-C427 PolarHBondContact O-N 3.07Å; I423-M431 HydrophobicContact CD1-SD 4.31Å |
| 424 | A | 95.4 | Very high | 96.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59 | -48.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | G421 M428 R463 Y464 | G421-A424 WeakPolarHBondContact O-CB 3.28Å; G421-A424 PolarHBondContact O-N 2.81Å; A424-M428 WeakPolarHBondContact O-CA 3.32Å; A424-M428 WeakPolarHBondContact O-CB 3.49Å; A424-M428 PolarHBondContact O-N 3.25Å; A424-R463 HydrophobicContact CB-CB 3.8Å; A424-Y464 WeakPolarHBondContact CA-OH 3.22Å; A424-Y464 HydrophobicContact CB-CD1 4.36Å; A424-Y464 HydrophobicContact CB-CD2 4.24Å; A424-Y464 HydrophobicContact CB-CE1 3.78Å; A424-Y464 HydrophobicContact CB-CE2 3.65Å |
| 425 | E | 89.3 | Confident | 96.2 | Very high | 96 Ų | 96 | 27.1 Ų | 27.1 | 45% | 0.449 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -64.5 | -59.3 | -176.5 | -170 | 178.5 | 154.7 | 0 | 0 | 111.7 | I423 C427 R463 | I423-E425 PolarHBondContact O-N 2.99Å; E425-C427 PolarHBondContact O-N 2.87Å; E425-R463 IonicContact OE2-CZ 3.25Å; E425-R463 IonicContact OE2-NH1 2.7Å; E425-R463 IonicContact OE2-NH2 3.32Å; E425-R463 PolarHBondContact OE2-NH2 2.88Å |
| 426 | G | 91.9 | Very high | 96.2 | Very high | 8 Ų | 8 | 30.7 Ų | 30.7 | 8% | 0.082 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.1 | -28 | -177 | 0 | 0 | 0 | 0 | 0 | 115.1 | A386 N387 R390 | A386-G426 CarbonylContact O-C 3.55Å; A386-G426 WeakPolarHBondContact O-CA 3.45Å; N387-G426 VanDerWaalsContact OD1-CA 3.28Å; N387-G426 WeakPolarHBondContact OD1-CA 3.5Å; N387-G426 PolarHBondContact OD1-N 3.09Å; R390-G426 WeakPolarHBondContact CA-O 3.45Å; R390-G426 WeakPolarHBondContact CB-O 3.38Å |
| 427 | C | 96.6 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -111.1 | 10.6 | -175.9 | -61 | 0 | 0 | 0 | 0 | 114.6 | R390 L394 I423 E425 Q429 G430 M431 | R390-C427 PolarHBondContact O-SG 3.32Å; L394-C427 HydrophobicContact CD1-CB 4.46Å; L394-C427 HydrophobicContact CD2-CB 3.82Å; L394-C427 HydrophobicContact CG-CB 4.21Å; I423-C427 HydrophobicContact CB-CB 4.4Å; I423-C427 VanDerWaalsContact O-CB 3.22Å; I423-C427 WeakPolarHBondContact O-CB 3.2Å; I423-C427 PolarHBondContact O-N 3.07Å; E425-C427 PolarHBondContact O-N 2.87Å; C427-Q429 PolarHBondContact O-N 2.82Å; C427-G430 PolarHBondContact O-N 2.92Å; C427-G430 VanDerWaalsContact O-N 3.11Å; C427-M431 HydrophobicContact CB-CG 4.22Å; C427-M431 WeakPolarHBondContact O-CG 3.4Å; C427-M431 PolarHBondContact O-N 2.96Å |
| 428 | M | 94.5 | Very high | 96 | Very high | 37 Ų | 37 | 38.6 Ų | 38.6 | 18% | 0.182 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -46.8 | -54.5 | -171.9 | -178 | 57 | 71.3 | 0 | 0 | 112.9 | A424 G430 M431 V432 L435 Y464 | A424-M428 WeakPolarHBondContact O-CA 3.32Å; A424-M428 WeakPolarHBondContact O-CB 3.49Å; A424-M428 PolarHBondContact O-N 3.25Å; M428-G430 VanDerWaalsContact C-N 3.32Å; M428-G430 PolarHBondContact O-N 3.24Å; M428-M431 WeakPolarHBondContact O-CA 3.21Å; M428-M431 PolarHBondContact O-N 3.08Å; M428-V432 WeakPolarHBondContact O-CG2 3.47Å; M428-V432 PolarHBondContact O-N 3.2Å; M428-L435 HydrophobicContact SD-CD1 4.15Å; M428-Y464 HydrophobicContact CE-CD1 3.49Å; M428-Y464 VanDerWaalsContact CE-CD1 3.49Å; M428-Y464 HydrophobicContact CE-CE1 3.82Å; M428-Y464 HydrophobicContact CE-CG 4.4Å; M428-Y464 HydrophobicContact SD-CD1 3.74Å; M428-Y464 HydrophobicContact SD-CE1 3.94Å |
| 429 | Q | 93.2 | Very high | 96 | Very high | 142 Ų | 142 | 38 Ų | 38 | 66% | 0.664 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -60.5 | -39.6 | -174.7 | -65 | -60.6 | -24.8 | 0 | 0 | 112.8 | C427 M431 | C427-Q429 PolarHBondContact O-N 2.82Å; Q429-M431 VanDerWaalsContact C-N 3.31Å |
| 430 | G | 95.4 | Very high | 96 | Very high | 17 Ų | 17 | 40.1 Ų | 40.1 | 18% | 0.175 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -75 | -20.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | C427 M428 P433 Y434 | C427-G430 PolarHBondContact O-N 2.92Å; C427-G430 VanDerWaalsContact O-N 3.11Å; M428-G430 VanDerWaalsContact C-N 3.32Å; M428-G430 PolarHBondContact O-N 3.24Å; G430-P433 WeakPolarHBondContact O-CD 3.19Å; G430-Y434 WeakPolarHBondContact O-CE2 3.38Å |
| 431 | M | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -86.5 | -26.7 | 177.9 | -73 | -59.3 | -64 | 0 | 0 | 113.8 | L394 L398 L420 I423 C427 M428 Q429 P433 Y434 L435 L438 Y464 | L394-M431 HydrophobicContact CD2-CG 4.04Å; L394-M431 HydrophobicContact CD2-SD 3.6Å; L398-M431 HydrophobicContact CD2-SD 4.12Å; L420-M431 HydrophobicContact CD1-CE 3.36Å; I423-M431 HydrophobicContact CD1-SD 4.31Å; C427-M431 HydrophobicContact CB-CG 4.22Å; C427-M431 WeakPolarHBondContact O-CG 3.4Å; C427-M431 PolarHBondContact O-N 2.96Å; M428-M431 WeakPolarHBondContact O-CA 3.21Å; M428-M431 PolarHBondContact O-N 3.08Å; Q429-M431 VanDerWaalsContact C-N 3.31Å; M431-P433 VanDerWaalsContact C-N 3.29Å; M431-P433 VanDerWaalsContact O-N 3.09Å; M431-Y434 PolarHBondContact O-N 3.03Å; M431-Y434 HydrophobicContact SD-CD2 4.33Å; M431-L435 PolarHBondContact O-N 3.17Å; M431-L438 HydrophobicContact CE-CD1 3.62Å; M431-Y464 HydrophobicContact CB-CE1 4.46Å |
| 432 | V | 96.8 | Very high | 96 | Very high | 50 Ų | 50 | 41.7 Ų | 41.7 | 30% | 0.303 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43 | -44 | 178.1 | 169 | 0 | 0 | 0 | 0 | 114.2 | M428 Y434 L435 P436 | M428-V432 WeakPolarHBondContact O-CG2 3.47Å; M428-V432 PolarHBondContact O-N 3.2Å; V432-Y434 PolarHBondContact O-N 3.03Å; V432-Y434 VanDerWaalsContact O-N 3.12Å; V432-L435 HydrophobicContact CG2-CD1 4.4Å; V432-L435 PolarHBondContact O-N 2.98Å; V432-P436 VanDerWaalsContact O-CD 3.3Å; V432-P436 WeakPolarHBondContact O-CD 3.39Å |
| 433 | P | 97.1 | Very high | 96.1 | Very high | 95 Ų | 95 | 42.5 Ų | 42.5 | 62% | 0.617 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -21.9 | 179.1 | -24.7 | 36 | 0 | 0 | 0 | 114.9 | G430 M431 | G430-P433 WeakPolarHBondContact O-CD 3.19Å; M431-P433 VanDerWaalsContact C-N 3.29Å; M431-P433 VanDerWaalsContact O-N 3.09Å |
| 434 | Y | 96.7 | Very high | 96.1 | Very high | 106 Ų | 106 | 49 Ų | 49 | 42% | 0.416 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.9 | -21.2 | -177.1 | -51.3 | -79.3 | 0 | 0 | 0 | 112.9 | L398 G430 M431 V432 P436 E437 L438 | L398-Y434 HydrophobicContact CD1-CE2 3.99Å; L398-Y434 HydrophobicContact CD2-CD2 4.5Å; L398-Y434 HydrophobicContact CD2-CE2 4.28Å; G430-Y434 WeakPolarHBondContact O-CE2 3.38Å; M431-Y434 PolarHBondContact O-N 3.03Å; M431-Y434 HydrophobicContact SD-CD2 4.33Å; V432-Y434 PolarHBondContact O-N 3.03Å; V432-Y434 VanDerWaalsContact O-N 3.12Å; Y434-P436 VanDerWaalsContact C-CD 3.41Å; Y434-P436 VanDerWaalsContact C-N 3.35Å; Y434-E437 PolarHBondContact O-N 3.47Å; Y434-L438 WeakPolarHBondContact O-CG 3.35Å; Y434-L438 PolarHBondContact O-N 3.45Å |
| 435 | L | 97.3 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -55.7 | -36.3 | -178.5 | -61.5 | -176.6 | 0 | 0 | 0 | 114.8 | M428 M431 V432 E437 L438 I439 Y464 W467 | M428-L435 HydrophobicContact SD-CD1 4.15Å; M431-L435 PolarHBondContact O-N 3.17Å; V432-L435 HydrophobicContact CG2-CD1 4.4Å; V432-L435 PolarHBondContact O-N 2.98Å; L435-E437 PolarHBondContact O-N 2.88Å; L435-E437 VanDerWaalsContact O-N 3.11Å; L435-L438 PolarHBondContact O-N 3.39Å; L435-I439 HydrophobicContact CB-CG1 4.15Å; L435-I439 HydrophobicContact CD2-CD1 4.48Å; L435-I439 HydrophobicContact CD2-CG1 4.43Å; L435-I439 WeakPolarHBondContact O-CB 3.45Å; L435-I439 WeakPolarHBondContact O-CG1 3.5Å; L435-I439 PolarHBondContact O-N 3.34Å; L435-Y464 HydrophobicContact CD1-CD1 3.82Å; L435-Y464 HydrophobicContact CD1-CE1 4.27Å; L435-Y464 HydrophobicContact CD2-CD1 3.62Å; L435-Y464 HydrophobicContact CD2-CE1 3.62Å; L435-Y464 HydrophobicContact CD2-CG 4.22Å; L435-Y464 HydrophobicContact CG-CD1 4.39Å; L435-W467 HydrophobicContact CB-CD2 3.95Å; L435-W467 HydrophobicContact CB-CE3 4Å; L435-W467 HydrophobicContact CB-CH2 3.83Å; L435-W467 HydrophobicContact CB-CZ2 3.76Å; L435-W467 HydrophobicContact CB-CZ3 3.96Å; L435-W467 HydrophobicContact CD1-CB 3.99Å; L435-W467 HydrophobicContact CD1-CD2 3.54Å; L435-W467 HydrophobicContact CD1-CE3 4.1Å; L435-W467 HydrophobicContact CD1-CG 3.46Å; L435-W467 VanDerWaalsContact CD1-CG 3.46Å; L435-W467 HydrophobicContact CG-CD2 4.39Å |
| 436 | P | 97.5 | Very high | 96.7 | Very high | 75 Ų | 75 | 44.6 Ų | 44.6 | 49% | 0.487 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -58.5 | -24.9 | 175.4 | -27.4 | 35.9 | 0 | 0 | 0 | 114.7 | V432 Y434 P440 W467 | V432-P436 VanDerWaalsContact O-CD 3.3Å; V432-P436 WeakPolarHBondContact O-CD 3.39Å; Y434-P436 VanDerWaalsContact C-CD 3.41Å; Y434-P436 VanDerWaalsContact C-N 3.35Å; P436-P440 VanDerWaalsContact O-CD 3.3Å; P436-P440 WeakPolarHBondContact O-CD 3.24Å; P436-P440 VanDerWaalsContact O-CG 3.32Å; P436-P440 WeakPolarHBondContact O-CG 3.28Å; P436-W467 HydrophobicContact CG-CH2 4.26Å; P436-W467 HydrophobicContact CG-CZ2 4.07Å |
| 437 | E | 96.1 | Very high | 96.9 | Very high | 145 Ų | 145 | 48 Ų | 48 | 68% | 0.678 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -96.6 | -40.8 | 174.7 | -173.7 | 176.8 | 177.5 | 0 | 0 | 111.7 | Y434 L435 H441 | Y434-E437 PolarHBondContact O-N 3.47Å; L435-E437 PolarHBondContact O-N 2.88Å; L435-E437 VanDerWaalsContact O-N 3.11Å; E437-H441 PolarHBondContact O-N 3.43Å |
| 438 | L | 97.2 | Very high | 97 | Very high | 21 Ų | 21 | 49.2 Ų | 49.2 | 11% | 0.11 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -70.4 | -42.6 | -175.5 | -66.4 | 174.8 | 0 | 0 | 0 | 113 | L405 L420 M431 Y434 L435 H441 L442 | L405-L438 HydrophobicContact CD1-CD2 3.84Å; L420-L438 HydrophobicContact CD1-CD1 3.99Å; L420-L438 HydrophobicContact CD2-CB 4.49Å; L420-L438 HydrophobicContact CD2-CD1 4.31Å; M431-L438 HydrophobicContact CE-CD1 3.62Å; Y434-L438 WeakPolarHBondContact O-CG 3.35Å; Y434-L438 PolarHBondContact O-N 3.45Å; L435-L438 PolarHBondContact O-N 3.39Å; L438-H441 WeakPolarHBondContact O-CB 3.36Å; L438-H441 PolarHBondContact O-N 3.21Å; L438-H441 VanDerWaalsContact O-N 3.15Å; L438-L442 WeakPolarHBondContact O-CG 3.24Å; L438-L442 PolarHBondContact O-N 3.05Å |
| 439 | I | 98.2 | Very high | 97 | Very high | 1 Ų | 1 | 55.6 Ų | 55.6 | 1% | 0.005 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -63.4 | -49 | -177.8 | -64 | -63.8 | 0 | 0 | 0 | 111.6 | L435 H441 L442 I443 L461 Y464 W467 V468 | L435-I439 HydrophobicContact CB-CG1 4.15Å; L435-I439 HydrophobicContact CD2-CD1 4.48Å; L435-I439 HydrophobicContact CD2-CG1 4.43Å; L435-I439 WeakPolarHBondContact O-CB 3.45Å; L435-I439 WeakPolarHBondContact O-CG1 3.5Å; L435-I439 PolarHBondContact O-N 3.34Å; I439-H441 PolarHBondContact O-N 2.81Å; I439-L442 HydrophobicContact CD1-CD1 4.38Å; I439-L442 PolarHBondContact O-N 3.2Å; I439-I443 HydrophobicContact CG2-CD1 3.98Å; I439-I443 HydrophobicContact CG2-CG1 4.49Å; I439-I443 WeakPolarHBondContact O-CG1 3.42Å; I439-I443 PolarHBondContact O-N 3.11Å; I439-L461 HydrophobicContact CD1-CD2 4.11Å; I439-L461 HydrophobicContact CG2-CD2 4.24Å; I439-Y464 HydrophobicContact CD1-CG 4.26Å; I439-W467 HydrophobicContact CB-CZ3 4.19Å; I439-W467 HydrophobicContact CG1-CE3 3.96Å; I439-W467 HydrophobicContact CG1-CZ3 3.69Å; I439-V468 HydrophobicContact CD1-CG2 4.31Å; I439-V468 HydrophobicContact CG1-CG2 4.42Å; I439-V468 HydrophobicContact CG2-CG2 3.99Å |
| 440 | P | 97.9 | Very high | 97.1 | Very high | 47 Ų | 47 | 50.3 Ų | 50.3 | 31% | 0.305 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.3 | -33.7 | 173.3 | -26.7 | 36.4 | 0 | 0 | 0 | 113.7 | P436 Q444 | P436-P440 VanDerWaalsContact O-CD 3.3Å; P436-P440 WeakPolarHBondContact O-CD 3.24Å; P436-P440 VanDerWaalsContact O-CG 3.32Å; P436-P440 WeakPolarHBondContact O-CG 3.28Å; P440-Q444 WeakPolarHBondContact O-CG 3.48Å; P440-Q444 PolarHBondContact O-N 3.48Å |
| 441 | H | 97.1 | Very high | 97 | Very high | 33 Ų | 33 | 49.7 Ų | 49.7 | 15% | 0.153 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.1 | -45.2 | 175.6 | 178.2 | 57.1 | 0 | 0 | 0 | 112 | L405 F406 E437 L438 I439 I443 Q444 C445 | L405-H441 PolarHBondContact O-NE2 3.17Å; F406-H441 AromaticContact CD1-CE1 3.72Å; F406-H441 AromaticContact CD1-NE2 3.75Å; F406-H441 AromaticContact CE1-CD2 3.69Å; F406-H441 AromaticContact CE1-CE1 3.53Å; F406-H441 AromaticContact CE1-CG 3.81Å; F406-H441 AromaticContact CE1-ND1 3.72Å; F406-H441 AromaticContact CE1-NE2 3.5Å; E437-H441 PolarHBondContact O-N 3.43Å; L438-H441 WeakPolarHBondContact O-CB 3.36Å; L438-H441 PolarHBondContact O-N 3.21Å; L438-H441 VanDerWaalsContact O-N 3.15Å; I439-H441 PolarHBondContact O-N 2.81Å; H441-I443 VanDerWaalsContact C-N 3.32Å; H441-I443 PolarHBondContact O-N 3.3Å; H441-Q444 WeakPolarHBondContact O-CA 3.46Å; H441-Q444 VanDerWaalsContact O-CB 3.32Å; H441-Q444 WeakPolarHBondContact O-CB 3.44Å; H441-Q444 PolarHBondContact O-N 3.4Å; H441-C445 PolarHBondContact O-N 3.2Å; H441-C445 VanDerWaalsContact O-N 3.08Å; H441-C445 PolarHBondContact O-SG 3.18Å |
| 442 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 175.8 | -71.5 | 173.8 | 0 | 0 | 0 | 112.2 | I417 L420 L438 I439 Q444 C445 L446 T460 L461 | I417-L442 HydrophobicContact CG1-CD2 4.13Å; I417-L442 HydrophobicContact CG2-CD2 3.8Å; L420-L442 HydrophobicContact CD2-CD1 3.84Å; L420-L442 HydrophobicContact CD2-CD2 4.27Å; L420-L442 HydrophobicContact CD2-CG 4.3Å; L438-L442 WeakPolarHBondContact O-CG 3.24Å; L438-L442 PolarHBondContact O-N 3.05Å; I439-L442 HydrophobicContact CD1-CD1 4.38Å; I439-L442 PolarHBondContact O-N 3.2Å; L442-Q444 PolarHBondContact O-N 3.25Å; L442-C445 WeakPolarHBondContact O-CA 3.22Å; L442-C445 VanDerWaalsContact O-CB 3.3Å; L442-C445 WeakPolarHBondContact O-CB 3.47Å; L442-C445 PolarHBondContact O-N 3.03Å; L442-L446 PolarHBondContact O-N 3.19Å; L442-T460 HydrophobicContact CD1-CG2 3.81Å; L442-T460 HydrophobicContact CD2-CG2 4.3Å; L442-L461 HydrophobicContact CB-CD1 4.11Å; L442-L461 HydrophobicContact CB-CD2 3.6Å; L442-L461 HydrophobicContact CB-CG 3.81Å; L442-L461 HydrophobicContact CD1-CD2 4.07Å; L442-L461 HydrophobicContact CD1-CG 4.33Å |
| 443 | I | 98.3 | Very high | 96.9 | Very high | 19 Ų | 19 | 47.7 Ų | 47.7 | 10% | 0.097 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.1 | -36.2 | 172.8 | -67.2 | 168.1 | 0 | 0 | 0 | 110.8 | I439 H441 C445 L446 L461 P479 L480 E483 | I439-I443 HydrophobicContact CG2-CD1 3.98Å; I439-I443 HydrophobicContact CG2-CG1 4.49Å; I439-I443 WeakPolarHBondContact O-CG1 3.42Å; I439-I443 PolarHBondContact O-N 3.11Å; H441-I443 VanDerWaalsContact C-N 3.32Å; H441-I443 PolarHBondContact O-N 3.3Å; I443-C445 VanDerWaalsContact C-N 3.35Å; I443-L446 WeakPolarHBondContact O-CB 3.14Å; I443-L446 PolarHBondContact O-N 3.3Å; I443-L461 HydrophobicContact CG1-CD1 4.39Å; I443-L461 HydrophobicContact CG1-CD2 4.21Å; I443-P479 HydrophobicContact CD1-CB 4.32Å; I443-L480 HydrophobicContact CD1-CB 4.02Å; I443-L480 HydrophobicContact CG1-CB 4.38Å; I443-L480 HydrophobicContact CG1-CD1 4.09Å; I443-E483 HydrophobicContact CG2-CB 4.26Å; I443-E483 HydrophobicContact CG2-CG 3.83Å |
| 444 | Q | 97.5 | Very high | 97 | Very high | 136 Ų | 136 | 43.9 Ų | 43.9 | 64% | 0.636 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -68.5 | -33.8 | 172.7 | -66.6 | 172.1 | 6.5 | 0 | 0 | 112.4 | P440 H441 L442 L446 C447 | P440-Q444 WeakPolarHBondContact O-CG 3.48Å; P440-Q444 PolarHBondContact O-N 3.48Å; H441-Q444 WeakPolarHBondContact O-CA 3.46Å; H441-Q444 VanDerWaalsContact O-CB 3.32Å; H441-Q444 WeakPolarHBondContact O-CB 3.44Å; H441-Q444 PolarHBondContact O-N 3.4Å; L442-Q444 PolarHBondContact O-N 3.25Å; Q444-L446 PolarHBondContact O-N 3.21Å; Q444-C447 WeakPolarHBondContact O-CB 3.06Å; Q444-C447 PolarHBondContact O-N 3.3Å |
| 445 | C | 98.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 39.7 Ų | 39.7 | 3% | 0.034 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -65.5 | -24.3 | 176.3 | -66.6 | 0 | 0 | 0 | 0 | 113.1 | I417 H441 L442 I443 C447 D448 V453 A457 | I417-C445 HydrophobicContact CD1-CB 4.22Å; H441-C445 PolarHBondContact O-N 3.2Å; H441-C445 VanDerWaalsContact O-N 3.08Å; H441-C445 PolarHBondContact O-SG 3.18Å; L442-C445 WeakPolarHBondContact O-CA 3.22Å; L442-C445 VanDerWaalsContact O-CB 3.3Å; L442-C445 WeakPolarHBondContact O-CB 3.47Å; L442-C445 PolarHBondContact O-N 3.03Å; I443-C445 VanDerWaalsContact C-N 3.35Å; C445-C447 PolarHBondContact O-N 3.33Å; C445-C447 VanDerWaalsContact O-N 3.13Å; C445-D448 VanDerWaalsContact O-CB 3.29Å; C445-D448 WeakPolarHBondContact O-CB 3.44Å; C445-D448 PolarHBondContact O-N 2.96Å; C445-V453 HydrophobicContact CB-CG1 4.41Å; C445-A457 HydrophobicContact CB-CB 3.92Å |
| 446 | L | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -22.3 | 168.6 | -63.7 | 176.2 | 0 | 0 | 0 | 112.3 | L442 I443 Q444 R454 A457 C458 L461 L480 E483 L484 R487 | L442-L446 PolarHBondContact O-N 3.19Å; I443-L446 WeakPolarHBondContact O-CB 3.14Å; I443-L446 PolarHBondContact O-N 3.3Å; Q444-L446 PolarHBondContact O-N 3.21Å; L446-R454 WeakPolarHBondContact O-CD 3.49Å; L446-R454 WeakPolarHBondContact O-CG 3.5Å; L446-A457 HydrophobicContact CD2-CB 3.97Å; L446-C458 HydrophobicContact CD2-CB 4.4Å; L446-C458 WeakPolarHBondContact CD2-SG 3.24Å; L446-L461 HydrophobicContact CD1-CD1 3.69Å; L446-L461 HydrophobicContact CD2-CD1 3.95Å; L446-L461 HydrophobicContact CG-CD1 3.76Å; L446-L480 HydrophobicContact CD1-CD1 4.39Å; L446-E483 HydrophobicContact CD1-CB 3.75Å; L446-L484 HydrophobicContact CD1-CD2 4.18Å; L446-L484 HydrophobicContact CD1-CG 4.28Å; L446-L484 HydrophobicContact CD2-CD2 4.22Å; L446-R487 HydrophobicContact CB-CG 4.16Å; L446-R487 HydrophobicContact CD2-CG 4.29Å; L446-R487 VanDerWaalsContact O-CD 3.26Å; L446-R487 WeakPolarHBondContact O-CD 3.43Å |
| 447 | C | 96.6 | Very high | 97 | Very high | 79 Ų | 79 | 36.9 Ų | 36.9 | 53% | 0.534 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98 | 11.6 | 176.5 | -63.3 | 0 | 0 | 0 | 0 | 113.5 | Q444 C445 | Q444-C447 WeakPolarHBondContact O-CB 3.06Å; Q444-C447 PolarHBondContact O-N 3.3Å; C445-C447 PolarHBondContact O-N 3.33Å; C445-C447 VanDerWaalsContact O-N 3.13Å |
| 448 | D | 97.2 | Very high | 97.1 | Very high | 26 Ų | 26 | 30 Ų | 30 | 14% | 0.139 | 15% | 0.154 | C | C | . | . | trans | -65.9 | 148.3 | -179.7 | -161.4 | -64.2 | 0 | 0 | 0 | 111.2 | K413 C445 K450 V453 R454 | K413-D448 IonicContact NZ-OD2 3.09Å; K413-D448 PolarHBondContact NZ-OD2 3.33Å; C445-D448 VanDerWaalsContact O-CB 3.29Å; C445-D448 WeakPolarHBondContact O-CB 3.44Å; C445-D448 PolarHBondContact O-N 2.96Å; D448-K450 PolarHBondContact O-N 3Å; D448-K450 PolarHBondContact OD1-N 3.18Å; D448-V453 HydrophobicContact CB-CB 4.06Å; D448-V453 HydrophobicContact CB-CG1 3.69Å; D448-R454 HydrophobicContact CB-CG 4.47Å; D448-R454 WeakPolarHBondContact O-CD 3.25Å; D448-R454 VanDerWaalsContact O-CG 3.29Å; D448-R454 WeakPolarHBondContact O-CG 3.43Å; D448-R454 PolarHBondContact O-NH1 3.08Å | ||
| 449 | K | 94.7 | Very high | 97 | Very high | 171 Ų | 171 | 32.6 Ų | 32.6 | 74% | 0.743 | 16% | 0.162 | S | C | * | . | S | Bend | trans | -67.3 | -15.2 | 179 | 61.8 | 172.9 | -179.8 | 177.2 | 0 | 113.5 | ||
| 450 | K | 95.6 | Very high | 97 | Very high | 31 Ų | 31 | 32.6 Ų | 32.6 | 14% | 0.135 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -101.5 | 120.6 | -179.5 | -78.5 | -58.3 | -159 | 169.7 | 0 | 111.5 | G318 D319 E321 W410 D448 L452 V453 R454 | G318-K450 PolarHBondContact O-NZ 3.2Å; G318-K450 VanDerWaalsContact O-NZ 3.09Å; D319-K450 IonicContact OD1-NZ 2.72Å; D319-K450 PolarHBondContact OD1-NZ 3.41Å; E321-K450 WeakPolarHBondContact OE1-CA 3.48Å; E321-K450 WeakPolarHBondContact OE1-CD 3.49Å; W410-K450 HydrophobicContact CB-CB 4.44Å; W410-K450 HydrophobicContact CB-CG 4Å; W410-K450 HydrophobicContact CD2-CG 4.13Å; W410-K450 HydrophobicContact CG-CB 4.48Å; W410-K450 HydrophobicContact CG-CG 3.8Å; D448-K450 PolarHBondContact O-N 3Å; D448-K450 PolarHBondContact OD1-N 3.18Å; K450-L452 VanDerWaalsContact C-N 3.31Å; K450-L452 PolarHBondContact O-N 3.35Å; K450-V453 HydrophobicContact CB-CB 4.25Å; K450-V453 HydrophobicContact CB-CG2 3.86Å; K450-V453 WeakPolarHBondContact O-CB 3.49Å; K450-V453 PolarHBondContact O-N 3.48Å; K450-R454 PolarHBondContact O-N 2.93Å; K450-R454 VanDerWaalsContact O-N 3.14Å |
| 451 | A | 94.8 | Very high | 97.1 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.033 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -55.4 | -43.5 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E321 V453 R454 S455 N492 V495 | E321-A451 VanDerWaalsContact CD-N 3.34Å; E321-A451 PolarHBondContact OE1-N 3.27Å; E321-A451 WeakPolarHBondContact OE2-CB 3.45Å; E321-A451 PolarHBondContact OE2-N 2.89Å; A451-V453 VanDerWaalsContact C-N 3.29Å; A451-V453 PolarHBondContact O-N 3.48Å; A451-R454 PolarHBondContact O-N 3.33Å; A451-R454 VanDerWaalsContact O-N 3.12Å; A451-S455 WeakPolarHBondContact O-CB 3.45Å; A451-S455 PolarHBondContact O-N 3.37Å; A451-N492 HydrophobicContact CB-CB 4.02Å; A451-V495 HydrophobicContact CB-CG2 3.85Å; A451-V495 VanDerWaalsContact O-CG2 3.29Å; A451-V495 WeakPolarHBondContact O-CG2 3.42Å |
| 452 | L | 94.1 | Very high | 97 | Very high | 8 Ų | 8 | 29.5 Ų | 29.5 | 4% | 0.042 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.5 | -32.2 | 178.8 | -65 | 174.4 | 0 | 0 | 0 | 113 | Y308 L316 W410 K450 I456 | Y308-L452 HydrophobicContact CE2-CB 4.48Å; Y308-L452 HydrophobicContact CE2-CD1 4.29Å; L316-L452 HydrophobicContact CD1-CD2 4.27Å; W410-L452 HydrophobicContact CE3-CB 4.47Å; W410-L452 HydrophobicContact CH2-CB 4.45Å; W410-L452 HydrophobicContact CH2-CD1 3.51Å; W410-L452 HydrophobicContact CZ3-CB 3.78Å; W410-L452 HydrophobicContact CZ3-CD1 3.69Å; W410-L452 HydrophobicContact CZ3-CG 4.37Å; K450-L452 VanDerWaalsContact C-N 3.31Å; K450-L452 PolarHBondContact O-N 3.35Å; L452-I456 WeakPolarHBondContact O-CG2 3.3Å; L452-I456 PolarHBondContact O-N 2.95Å |
| 453 | V | 97.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.3 | -41.8 | 173.3 | 177.3 | 0 | 0 | 0 | 0 | 110.9 | W410 K413 E414 I417 C445 D448 K450 A451 I456 A457 | W410-V453 HydrophobicContact CB-CG2 3.97Å; W410-V453 HydrophobicContact CE3-CG2 4.13Å; K413-V453 HydrophobicContact CD-CG1 4.27Å; E414-V453 HydrophobicContact CB-CG2 4.17Å; I417-V453 HydrophobicContact CD1-CG1 3.97Å; C445-V453 HydrophobicContact CB-CG1 4.41Å; D448-V453 HydrophobicContact CB-CB 4.06Å; D448-V453 HydrophobicContact CB-CG1 3.69Å; K450-V453 HydrophobicContact CB-CB 4.25Å; K450-V453 HydrophobicContact CB-CG2 3.86Å; K450-V453 WeakPolarHBondContact O-CB 3.49Å; K450-V453 PolarHBondContact O-N 3.48Å; A451-V453 VanDerWaalsContact C-N 3.29Å; A451-V453 PolarHBondContact O-N 3.48Å; V453-I456 WeakPolarHBondContact O-CG2 3.35Å; V453-A457 VanDerWaalsContact O-CB 3.27Å; V453-A457 WeakPolarHBondContact O-CB 3.46Å; V453-A457 PolarHBondContact O-N 3.25Å |
| 454 | R | 98.1 | Very high | 96.9 | Very high | 14 Ų | 14 | 32.5 Ų | 32.5 | 5% | 0.053 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.6 | -45.5 | 177.4 | -60.4 | -164.4 | -65.1 | -77.3 | 2.8 | 111.1 | E321 L446 D448 K450 A451 A457 C458 D490 V495 | E321-R454 IonicContact OE2-CZ 2.99Å; E321-R454 IonicContact OE2-NH1 3.52Å; E321-R454 PolarHBondContact OE2-NH1 3.48Å; E321-R454 IonicContact OE2-NH2 3.28Å; E321-R454 PolarHBondContact OE2-NH2 2.82Å; L446-R454 WeakPolarHBondContact O-CD 3.49Å; L446-R454 WeakPolarHBondContact O-CG 3.5Å; D448-R454 HydrophobicContact CB-CG 4.47Å; D448-R454 WeakPolarHBondContact O-CD 3.25Å; D448-R454 VanDerWaalsContact O-CG 3.29Å; D448-R454 WeakPolarHBondContact O-CG 3.43Å; D448-R454 PolarHBondContact O-NH1 3.08Å; K450-R454 PolarHBondContact O-N 2.93Å; K450-R454 VanDerWaalsContact O-N 3.14Å; A451-R454 PolarHBondContact O-N 3.33Å; A451-R454 VanDerWaalsContact O-N 3.12Å; R454-A457 PolarHBondContact O-N 3.08Å; R454-C458 PolarHBondContact O-N 3.08Å; R454-C458 PolarHBondContact O-SG 2.93Å; R454-D490 IonicContact CZ-OD1 3.39Å; R454-D490 IonicContact CZ-OD2 2.7Å; R454-D490 IonicContact NE-OD1 2.65Å; R454-D490 IonicContact NE-OD2 3.91Å; R454-D490 PolarHBondContact NE-OD2 2.71Å; R454-D490 IonicContact NH2-OD1 2.97Å; R454-D490 PolarHBondContact NH2-OD1 3.16Å; R454-D490 IonicContact NH2-OD2 2.79Å; R454-D490 PolarHBondContact NH2-OD2 2.83Å; R454-V495 HydrophobicContact CB-CG1 3.9Å; R454-V495 HydrophobicContact CB-CG2 4.03Å |
| 455 | S | 95.8 | Very high | 96.8 | Very high | 19 Ų | 19 | 26.1 Ų | 26.1 | 13% | 0.133 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.9 | -52.1 | 179.1 | 173.1 | 0 | 0 | 0 | 0 | 112 | A451 A457 C458 W459 A498 | A451-S455 WeakPolarHBondContact O-CB 3.45Å; A451-S455 PolarHBondContact O-N 3.37Å; S455-A457 VanDerWaalsContact C-N 3.27Å; S455-A457 PolarHBondContact O-N 3.15Å; S455-C458 WeakPolarHBondContact O-CB 3.36Å; S455-C458 PolarHBondContact O-N 3.31Å; S455-C458 VanDerWaalsContact O-N 3.17Å; S455-W459 PolarHBondContact O-N 3.23Å; S455-A498 WeakPolarHBondContact OG-CB 3.37Å |
| 456 | I | 96.8 | Very high | 96.5 | Very high | 16 Ų | 16 | 30.9 Ų | 30.9 | 8% | 0.082 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.9 | -28.3 | 179.1 | -166 | 60.3 | 0 | 0 | 0 | 112.9 | E414 I417 L418 L452 V453 W459 T460 | E414-I456 HydrophobicContact CG-CG2 3.78Å; E414-I456 WeakPolarHBondContact OE1-CB 3.1Å; I417-I456 HydrophobicContact CB-CG1 4.47Å; I417-I456 HydrophobicContact CB-CG2 3.99Å; I417-I456 HydrophobicContact CD1-CG2 4.36Å; I417-I456 HydrophobicContact CG2-CB 4.47Å; I417-I456 HydrophobicContact CG2-CG1 4.1Å; I417-I456 HydrophobicContact CG2-CG2 3.82Å; L418-I456 HydrophobicContact CB-CD1 4Å; L418-I456 HydrophobicContact CB-CG1 3.95Å; L418-I456 HydrophobicContact CD1-CD1 3.67Å; L418-I456 HydrophobicContact CG-CD1 4.39Å; L452-I456 WeakPolarHBondContact O-CG2 3.3Å; L452-I456 PolarHBondContact O-N 2.95Å; V453-I456 WeakPolarHBondContact O-CG2 3.35Å; I456-W459 HydrophobicContact CD1-CD2 4.31Å; I456-W459 HydrophobicContact CD1-CE3 3.62Å; I456-W459 HydrophobicContact CD1-CZ3 4.23Å; I456-T460 VanDerWaalsContact O-CB 3.31Å; I456-T460 WeakPolarHBondContact O-CB 3.44Å; I456-T460 PolarHBondContact O-N 2.89Å; I456-T460 PolarHBondContact O-OG1 3.41Å |
| 457 | A | 98.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -67 | -38.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | C445 L446 V453 R454 S455 L461 | C445-A457 HydrophobicContact CB-CB 3.92Å; L446-A457 HydrophobicContact CD2-CB 3.97Å; V453-A457 VanDerWaalsContact O-CB 3.27Å; V453-A457 WeakPolarHBondContact O-CB 3.46Å; V453-A457 PolarHBondContact O-N 3.25Å; R454-A457 PolarHBondContact O-N 3.08Å; S455-A457 VanDerWaalsContact C-N 3.27Å; S455-A457 PolarHBondContact O-N 3.15Å; A457-L461 VanDerWaalsContact O-CB 3.31Å; A457-L461 WeakPolarHBondContact O-CB 3.37Å; A457-L461 WeakPolarHBondContact O-CD1 3.37Å; A457-L461 VanDerWaalsContact O-CG 3.25Å; A457-L461 WeakPolarHBondContact O-CG 3.28Å; A457-L461 PolarHBondContact O-N 3.23Å |
| 458 | C | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.2 | -55.8 | 172.2 | -64.8 | 0 | 0 | 0 | 0 | 110.7 | L446 R454 S455 T460 L461 S462 L484 A498 A502 | L446-C458 HydrophobicContact CD2-CB 4.4Å; L446-C458 WeakPolarHBondContact CD2-SG 3.24Å; R454-C458 PolarHBondContact O-N 3.08Å; R454-C458 PolarHBondContact O-SG 2.93Å; S455-C458 WeakPolarHBondContact O-CB 3.36Å; S455-C458 PolarHBondContact O-N 3.31Å; S455-C458 VanDerWaalsContact O-N 3.17Å; C458-T460 PolarHBondContact O-N 3.17Å; C458-L461 PolarHBondContact O-N 3.27Å; C458-S462 PolarHBondContact O-N 3.41Å; C458-S462 VanDerWaalsContact O-N 3.1Å; C458-L484 HydrophobicContact CB-CD2 4.21Å; C458-A498 HydrophobicContact CB-CB 4.15Å; C458-A498 WeakPolarHBondContact CB-O 3.33Å; C458-A502 HydrophobicContact CB-CB 3.86Å; C458-A502 VanDerWaalsContact O-CB 3.29Å; C458-A502 WeakPolarHBondContact O-CB 3.33Å |
| 459 | W | 96.3 | Very high | 96.5 | Very high | 76 Ų | 76 | 28.2 Ų | 28.2 | 29% | 0.288 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -60 | -44.4 | -179.9 | 178.7 | 85.3 | 0 | 0 | 0 | 112.5 | L418 S455 I456 L461 S462 R463 | L418-W459 HydrophobicContact CD1-CE3 4.42Å; L418-W459 HydrophobicContact CD1-CH2 4.22Å; L418-W459 HydrophobicContact CD1-CZ3 3.8Å; S455-W459 PolarHBondContact O-N 3.23Å; I456-W459 HydrophobicContact CD1-CD2 4.31Å; I456-W459 HydrophobicContact CD1-CE3 3.62Å; I456-W459 HydrophobicContact CD1-CZ3 4.23Å; W459-L461 VanDerWaalsContact C-N 3.3Å; W459-L461 PolarHBondContact O-N 3.14Å; W459-S462 PolarHBondContact O-N 2.92Å; W459-S462 PolarHBondContact O-OG 2.89Å; W459-R463 HydrophobicContact CD2-CG 4.36Å; W459-R463 HydrophobicContact CH2-CG 4.39Å; W459-R463 HydrophobicContact CZ2-CG 4.19Å; W459-R463 WeakPolarHBondContact O-CG 3.35Å; W459-R463 PolarHBondContact O-N 3.26Å |
| 460 | T | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.6 | -35.6 | 179.4 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | I417 L420 L442 I456 C458 Y464 | I417-T460 HydrophobicContact CG2-CG2 4.08Å; I417-T460 VanDerWaalsContact CG2-OG1 3.26Å; I417-T460 WeakPolarHBondContact CG2-OG1 3.32Å; I417-T460 PolarHBondContact O-OG1 3Å; I417-T460 VanDerWaalsContact O-OG1 3.11Å; L420-T460 HydrophobicContact CB-CG2 4.25Å; L420-T460 HydrophobicContact CD2-CG2 4.37Å; L420-T460 HydrophobicContact CG-CG2 4.16Å; L442-T460 HydrophobicContact CD1-CG2 3.81Å; L442-T460 HydrophobicContact CD2-CG2 4.3Å; I456-T460 VanDerWaalsContact O-CB 3.31Å; I456-T460 WeakPolarHBondContact O-CB 3.44Å; I456-T460 PolarHBondContact O-N 2.89Å; I456-T460 PolarHBondContact O-OG1 3.41Å; C458-T460 PolarHBondContact O-N 3.17Å; T460-Y464 HydrophobicContact CG2-CE2 4.39Å; T460-Y464 VanDerWaalsContact O-CD2 3.31Å; T460-Y464 WeakPolarHBondContact O-CD2 3.41Å |
| 461 | L | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -68.1 | -36.8 | 176.8 | -79.2 | 161.9 | 0 | 0 | 0 | 112.2 | I439 L442 I443 L446 A457 C458 W459 R463 Y464 A465 L480 | I439-L461 HydrophobicContact CD1-CD2 4.11Å; I439-L461 HydrophobicContact CG2-CD2 4.24Å; L442-L461 HydrophobicContact CB-CD1 4.11Å; L442-L461 HydrophobicContact CB-CD2 3.6Å; L442-L461 HydrophobicContact CB-CG 3.81Å; L442-L461 HydrophobicContact CD1-CD2 4.07Å; L442-L461 HydrophobicContact CD1-CG 4.33Å; I443-L461 HydrophobicContact CG1-CD1 4.39Å; I443-L461 HydrophobicContact CG1-CD2 4.21Å; L446-L461 HydrophobicContact CD1-CD1 3.69Å; L446-L461 HydrophobicContact CD2-CD1 3.95Å; L446-L461 HydrophobicContact CG-CD1 3.76Å; A457-L461 VanDerWaalsContact O-CB 3.31Å; A457-L461 WeakPolarHBondContact O-CB 3.37Å; A457-L461 WeakPolarHBondContact O-CD1 3.37Å; A457-L461 VanDerWaalsContact O-CG 3.25Å; A457-L461 WeakPolarHBondContact O-CG 3.28Å; A457-L461 PolarHBondContact O-N 3.23Å; C458-L461 PolarHBondContact O-N 3.27Å; W459-L461 VanDerWaalsContact C-N 3.3Å; W459-L461 PolarHBondContact O-N 3.14Å; L461-R463 VanDerWaalsContact C-N 3.34Å; L461-Y464 PolarHBondContact O-N 2.87Å; L461-A465 PolarHBondContact O-N 2.95Å; L461-L480 HydrophobicContact CB-CD1 3.99Å; L461-L480 HydrophobicContact CD1-CD1 3.64Å; L461-L480 HydrophobicContact CD2-CD1 3.96Å; L461-L480 HydrophobicContact CG-CD1 4.07Å |
| 462 | S | 96 | Very high | 96.4 | Very high | 16 Ų | 16 | 29 Ų | 29 | 11% | 0.112 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66 | -35.9 | 176.7 | 64.8 | 0 | 0 | 0 | 0 | 112.2 | C458 W459 Y464 A465 | C458-S462 PolarHBondContact O-N 3.41Å; C458-S462 VanDerWaalsContact O-N 3.1Å; W459-S462 PolarHBondContact O-N 2.92Å; W459-S462 PolarHBondContact O-OG 2.89Å; S462-Y464 PolarHBondContact O-N 2.93Å; S462-A465 WeakPolarHBondContact O-CB 3.38Å; S462-A465 PolarHBondContact O-N 3.5Å |
| 463 | R | 95.8 | Very high | 96.2 | Very high | 82 Ų | 82 | 30.9 Ų | 30.9 | 31% | 0.309 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -13.7 | 173.9 | -60.8 | -68.9 | -77.3 | 166.1 | -0.8 | 114.3 | D383 A424 E425 W459 L461 | D383-R463 IonicContact OD2-NH2 2.66Å; A424-R463 HydrophobicContact CB-CB 3.8Å; E425-R463 IonicContact OE2-CZ 3.25Å; E425-R463 IonicContact OE2-NH1 2.7Å; E425-R463 IonicContact OE2-NH2 3.32Å; E425-R463 PolarHBondContact OE2-NH2 2.88Å; W459-R463 HydrophobicContact CD2-CG 4.36Å; W459-R463 HydrophobicContact CH2-CG 4.39Å; W459-R463 HydrophobicContact CZ2-CG 4.19Å; W459-R463 WeakPolarHBondContact O-CG 3.35Å; W459-R463 PolarHBondContact O-N 3.26Å; L461-R463 VanDerWaalsContact C-N 3.34Å |
| 464 | Y | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116 | 14.8 | 173.5 | -66.3 | -82.4 | 0 | 0 | 0 | 113 | L420 A424 M428 M431 L435 I439 T460 L461 S462 H466 W467 V468 | L420-Y464 HydrophobicContact CD1-CE2 4.4Å; L420-Y464 HydrophobicContact CG-CE2 4.15Å; L420-Y464 WeakPolarHBondContact O-CE2 2.86Å; L420-Y464 PolarHBondContact O-OH 3.39Å; A424-Y464 WeakPolarHBondContact CA-OH 3.22Å; A424-Y464 HydrophobicContact CB-CD1 4.36Å; A424-Y464 HydrophobicContact CB-CD2 4.24Å; A424-Y464 HydrophobicContact CB-CE1 3.78Å; A424-Y464 HydrophobicContact CB-CE2 3.65Å; M428-Y464 HydrophobicContact CE-CD1 3.49Å; M428-Y464 VanDerWaalsContact CE-CD1 3.49Å; M428-Y464 HydrophobicContact CE-CE1 3.82Å; M428-Y464 HydrophobicContact CE-CG 4.4Å; M428-Y464 HydrophobicContact SD-CD1 3.74Å; M428-Y464 HydrophobicContact SD-CE1 3.94Å; M431-Y464 HydrophobicContact CB-CE1 4.46Å; L435-Y464 HydrophobicContact CD1-CD1 3.82Å; L435-Y464 HydrophobicContact CD1-CE1 4.27Å; L435-Y464 HydrophobicContact CD2-CD1 3.62Å; L435-Y464 HydrophobicContact CD2-CE1 3.62Å; L435-Y464 HydrophobicContact CD2-CG 4.22Å; L435-Y464 HydrophobicContact CG-CD1 4.39Å; I439-Y464 HydrophobicContact CD1-CG 4.26Å; T460-Y464 HydrophobicContact CG2-CE2 4.39Å; T460-Y464 VanDerWaalsContact O-CD2 3.31Å; T460-Y464 WeakPolarHBondContact O-CD2 3.41Å; L461-Y464 PolarHBondContact O-N 2.87Å; S462-Y464 PolarHBondContact O-N 2.93Å; Y464-H466 PolarHBondContact O-N 3.14Å; Y464-W467 PolarHBondContact O-N 2.95Å; Y464-V468 PolarHBondContact O-N 3.36Å; Y464-V468 VanDerWaalsContact O-N 3.1Å |
| 465 | A | 95.5 | Very high | 95.8 | Very high | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.008 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.4 | -45.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L461 S462 W467 V468 V469 L506 E509 | L461-A465 PolarHBondContact O-N 2.95Å; S462-A465 WeakPolarHBondContact O-CB 3.38Å; S462-A465 PolarHBondContact O-N 3.5Å; A465-W467 VanDerWaalsContact C-N 3.29Å; A465-W467 PolarHBondContact O-N 3.1Å; A465-V468 WeakPolarHBondContact O-CA 3.43Å; A465-V468 WeakPolarHBondContact O-CB 3.38Å; A465-V468 PolarHBondContact O-N 3Å; A465-V469 WeakPolarHBondContact O-CG2 3.3Å; A465-V469 PolarHBondContact O-N 3.35Å; A465-L506 HydrophobicContact CB-CD1 4Å; A465-E509 HydrophobicContact CB-CB 4.22Å; A465-E509 HydrophobicContact CB-CG 3.94Å |
| 466 | H | 93.5 | Very high | 95.7 | Very high | 106 Ų | 106 | 38.4 Ų | 38.4 | 49% | 0.491 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -51.4 | -46.9 | 175.3 | 177.3 | -104 | 0 | 0 | 0 | 112.4 | Y464 V468 V469 S470 E509 | Y464-H466 PolarHBondContact O-N 3.14Å; H466-V468 PolarHBondContact O-N 3.4Å; H466-V469 PolarHBondContact O-N 3.04Å; H466-S470 PolarHBondContact O-N 3.28Å; H466-E509 WeakPolarHBondContact CA-OE2 3.21Å; H466-E509 WeakPolarHBondContact CB-OE2 3.09Å; H466-E509 IonicContact CD2-OE2 3.93Å; H466-E509 PolarHBondContact CD2-OE2 3.18Å; H466-E509 IonicContact CG-OE2 2.88Å |
| 467 | W | 97.3 | Very high | 95.7 | Very high | 19 Ų | 19 | 37.7 Ų | 37.7 | 7% | 0.072 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -63 | -44.7 | 176.3 | -178.9 | 85.2 | 0 | 0 | 0 | 111.2 | L435 P436 I439 Y464 A465 V469 S470 Q471 H476 | L435-W467 HydrophobicContact CB-CD2 3.95Å; L435-W467 HydrophobicContact CB-CE3 4Å; L435-W467 HydrophobicContact CB-CH2 3.83Å; L435-W467 HydrophobicContact CB-CZ2 3.76Å; L435-W467 HydrophobicContact CB-CZ3 3.96Å; L435-W467 HydrophobicContact CD1-CB 3.99Å; L435-W467 HydrophobicContact CD1-CD2 3.54Å; L435-W467 HydrophobicContact CD1-CE3 4.1Å; L435-W467 HydrophobicContact CD1-CG 3.46Å; L435-W467 VanDerWaalsContact CD1-CG 3.46Å; L435-W467 HydrophobicContact CG-CD2 4.39Å; P436-W467 HydrophobicContact CG-CH2 4.26Å; P436-W467 HydrophobicContact CG-CZ2 4.07Å; I439-W467 HydrophobicContact CB-CZ3 4.19Å; I439-W467 HydrophobicContact CG1-CE3 3.96Å; I439-W467 HydrophobicContact CG1-CZ3 3.69Å; Y464-W467 PolarHBondContact O-N 2.95Å; A465-W467 VanDerWaalsContact C-N 3.29Å; A465-W467 PolarHBondContact O-N 3.1Å; W467-V469 VanDerWaalsContact C-N 3.34Å; W467-V469 PolarHBondContact O-N 2.92Å; W467-S470 PolarHBondContact O-N 3.02Å; W467-S470 PolarHBondContact O-OG 3.32Å; W467-Q471 HydrophobicContact CD2-CG 4.16Å; W467-Q471 HydrophobicContact CE3-CG 4.23Å; W467-Q471 HydrophobicContact CH2-CG 3.89Å; W467-Q471 HydrophobicContact CZ2-CG 3.81Å; W467-Q471 HydrophobicContact CZ3-CG 4.09Å; W467-Q471 WeakPolarHBondContact O-CG 3.46Å; W467-Q471 PolarHBondContact O-N 3.33Å; W467-H476 AromaticContact CH2-CD2 3.96Å; W467-H476 AromaticContact CH2-NE2 3.85Å |
| 468 | V | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.9 | -43.2 | -180 | 171.6 | 0 | 0 | 0 | 0 | 112 | I439 Y464 A465 H466 S470 Q471 H476 L477 L480 | I439-V468 HydrophobicContact CD1-CG2 4.31Å; I439-V468 HydrophobicContact CG1-CG2 4.42Å; I439-V468 HydrophobicContact CG2-CG2 3.99Å; Y464-V468 PolarHBondContact O-N 3.36Å; Y464-V468 VanDerWaalsContact O-N 3.1Å; A465-V468 WeakPolarHBondContact O-CA 3.43Å; A465-V468 WeakPolarHBondContact O-CB 3.38Å; A465-V468 PolarHBondContact O-N 3Å; H466-V468 PolarHBondContact O-N 3.4Å; V468-S470 VanDerWaalsContact C-N 3.34Å; V468-Q471 PolarHBondContact O-N 3.01Å; V468-H476 HydrophobicContact CG1-CB 3.88Å; V468-L477 HydrophobicContact CG1-CB 4.09Å; V468-L477 HydrophobicContact CG1-CD1 4.47Å; V468-L480 HydrophobicContact CB-CD2 4.33Å; V468-L480 HydrophobicContact CG1-CD2 3.85Å; V468-L480 HydrophobicContact CG2-CD2 4.18Å |
| 469 | V | 95.1 | Very high | 95.7 | Very high | 29 Ų | 29 | 43.8 Ų | 43.8 | 18% | 0.176 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.7 | -34.8 | 178.8 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | A465 H466 W467 Q471 L477 L506 E509 A510 | A465-V469 WeakPolarHBondContact O-CG2 3.3Å; A465-V469 PolarHBondContact O-N 3.35Å; H466-V469 PolarHBondContact O-N 3.04Å; W467-V469 VanDerWaalsContact C-N 3.34Å; W467-V469 PolarHBondContact O-N 2.92Å; V469-Q471 PolarHBondContact O-N 3.3Å; V469-L477 HydrophobicContact CG2-CD1 4.16Å; V469-L506 HydrophobicContact CG2-CD1 4.05Å; V469-E509 HydrophobicContact CG2-CB 4.07Å; V469-A510 HydrophobicContact CG1-CB 4.47Å; V469-A510 HydrophobicContact CG2-CB 3.85Å |
| 470 | S | 93.8 | Very high | 95.8 | Very high | 74 Ų | 74 | 40.3 Ų | 40.3 | 52% | 0.517 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.9 | -13.3 | 177 | 77.4 | 0 | 0 | 0 | 0 | 114.5 | H466 W467 V468 | H466-S470 PolarHBondContact O-N 3.28Å; W467-S470 PolarHBondContact O-N 3.02Å; W467-S470 PolarHBondContact O-OG 3.32Å; V468-S470 VanDerWaalsContact C-N 3.34Å |
| 471 | Q | 95.9 | Very high | 95.8 | Very high | 62 Ų | 62 | 40.4 Ų | 40.4 | 29% | 0.29 | 22% | 0.223 | S | C | . | . | S | Bend | trans | -91.3 | 164 | 179.3 | -61.1 | -45.1 | -66.1 | 0 | 0 | 112.2 | W467 V468 V469 | W467-Q471 HydrophobicContact CD2-CG 4.16Å; W467-Q471 HydrophobicContact CE3-CG 4.23Å; W467-Q471 HydrophobicContact CH2-CG 3.89Å; W467-Q471 HydrophobicContact CZ2-CG 3.81Å; W467-Q471 HydrophobicContact CZ3-CG 4.09Å; W467-Q471 WeakPolarHBondContact O-CG 3.46Å; W467-Q471 PolarHBondContact O-N 3.33Å; V468-Q471 PolarHBondContact O-N 3.01Å; V469-Q471 PolarHBondContact O-N 3.3Å |
| 472 | P | 94.3 | Very high | 95.8 | Very high | 86 Ų | 86 | 42.1 Ų | 42.1 | 56% | 0.558 | 23% | 0.234 | S | C | * | . | trans | -52.4 | 126.8 | 173.3 | -28 | 36.3 | 0 | 0 | 0 | 112.2 | D474 A475 | P472-D474 VanDerWaalsContact C-N 3.33Å; P472-D474 PolarHBondContact O-N 3.49Å; P472-D474 VanDerWaalsContact O-N 3.14Å; P472-A475 HydrophobicContact CB-CB 4.47Å; P472-A475 WeakPolarHBondContact O-CB 3.33Å; P472-A475 PolarHBondContact O-N 3.31Å | ||
| 473 | P | 90.8 | Very high | 95.9 | Very high | 48 Ų | 48 | 43.2 Ų | 43.2 | 31% | 0.312 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.6 | -39.4 | -167.9 | -31.6 | 35.1 | 0 | 0 | 0 | 115.5 | A475 L477 K478 | P473-A475 PolarHBondContact O-N 3.33Å; P473-L477 HydrophobicContact CB-CD2 4.46Å; P473-L477 PolarHBondContact O-N 3.39Å; P473-K478 WeakPolarHBondContact O-CB 3.31Å; P473-K478 PolarHBondContact O-N 3.46Å |
| 474 | D | 93 | Very high | 96 | Very high | 111 Ų | 111 | 39.3 Ų | 39.3 | 59% | 0.594 | 22% | 0.223 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -16.7 | -179.7 | -75.6 | -52.3 | 0 | 0 | 0 | 113.6 | P472 K478 | P472-D474 VanDerWaalsContact C-N 3.33Å; P472-D474 PolarHBondContact O-N 3.49Å; P472-D474 VanDerWaalsContact O-N 3.14Å; D474-K478 WeakPolarHBondContact OD1-CD 2.98Å; D474-K478 IonicContact OD1-NZ 3.64Å; D474-K478 PolarHBondContact OD1-NZ 2.94Å |
| 475 | A | 92.8 | Very high | 96.1 | Very high | 53 Ų | 53 | 39.4 Ų | 39.4 | 44% | 0.438 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -43.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | P472 P473 | P472-A475 HydrophobicContact CB-CB 4.47Å; P472-A475 WeakPolarHBondContact O-CB 3.33Å; P472-A475 PolarHBondContact O-N 3.31Å; P473-A475 PolarHBondContact O-N 3.33Å |
| 476 | H | 94.8 | Very high | 96.2 | Very high | 28 Ų | 28 | 43.9 Ų | 43.9 | 13% | 0.13 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -136.1 | -50.5 | -171.1 | -59.8 | -66.2 | 0 | 0 | 0 | 113.5 | W467 V468 K478 P479 L480 | W467-H476 AromaticContact CH2-CD2 3.96Å; W467-H476 AromaticContact CH2-NE2 3.85Å; V468-H476 HydrophobicContact CG1-CB 3.88Å; H476-K478 PolarHBondContact O-N 3.45Å; H476-P479 WeakPolarHBondContact O-CD 3.41Å; H476-L480 VanDerWaalsContact O-CB 3.23Å; H476-L480 WeakPolarHBondContact O-CB 3.39Å; H476-L480 PolarHBondContact O-N 3.09Å |
| 477 | L | 96.9 | Very high | 96.4 | Very high | 1 Ų | 1 | 41.1 Ų | 41.1 | 1% | 0.005 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.6 | -52.5 | -176.4 | 176.4 | 59.4 | 0 | 0 | 0 | 112.5 | V468 V469 P473 L480 M481 L506 E513 | V468-L477 HydrophobicContact CG1-CB 4.09Å; V468-L477 HydrophobicContact CG1-CD1 4.47Å; V469-L477 HydrophobicContact CG2-CD1 4.16Å; P473-L477 HydrophobicContact CB-CD2 4.46Å; P473-L477 PolarHBondContact O-N 3.39Å; L477-L480 PolarHBondContact O-N 2.91Å; L477-M481 VanDerWaalsContact O-CB 3.25Å; L477-M481 WeakPolarHBondContact O-CB 3.5Å; L477-M481 PolarHBondContact O-N 3.37Å; L477-L506 HydrophobicContact CD1-CD1 3.79Å; L477-L506 HydrophobicContact CD1-CD2 4.22Å; L477-L506 HydrophobicContact CD1-CG 4.26Å; L477-E513 HydrophobicContact CD2-CB 4.4Å |
| 478 | K | 97.4 | Very high | 96.5 | Very high | 82 Ų | 82 | 40.2 Ų | 40.2 | 36% | 0.357 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.5 | -46.1 | -177.1 | 175.3 | -176.4 | -179.8 | 177.8 | 0 | 113.2 | P473 D474 H476 T482 Y517 | P473-K478 WeakPolarHBondContact O-CB 3.31Å; P473-K478 PolarHBondContact O-N 3.46Å; D474-K478 WeakPolarHBondContact OD1-CD 2.98Å; D474-K478 IonicContact OD1-NZ 3.64Å; D474-K478 PolarHBondContact OD1-NZ 2.94Å; H476-K478 PolarHBondContact O-N 3.45Å; K478-T482 VanDerWaalsContact O-CB 3.32Å; K478-T482 WeakPolarHBondContact O-CB 3.35Å; K478-T482 PolarHBondContact O-N 3.03Å; K478-T482 PolarHBondContact O-OG1 3.23Å; K478-Y517 HydrophobicContact CD-CE1 4.19Å; K478-Y517 HydrophobicContact CG-CE1 4.3Å |
| 479 | P | 97.9 | Very high | 96.5 | Very high | 46 Ų | 46 | 42.4 Ų | 42.4 | 30% | 0.299 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57 | -45.1 | 170.4 | -26.5 | 33.6 | 0 | 0 | 0 | 113.3 | I443 H476 T482 E483 | I443-P479 HydrophobicContact CD1-CB 4.32Å; H476-P479 WeakPolarHBondContact O-CD 3.41Å; P479-T482 PolarHBondContact O-N 3.11Å; P479-E483 PolarHBondContact O-N 3.02Å; P479-E483 VanDerWaalsContact O-N 3.08Å |
| 480 | L | 98.2 | Very high | 96.7 | Very high | 2 Ų | 2 | 41.2 Ų | 41.2 | 1% | 0.01 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.5 | -56.1 | 179.1 | 174.7 | 58.8 | 0 | 0 | 0 | 111.4 | I443 L446 L461 V468 H476 L477 T482 E483 L484 L506 | I443-L480 HydrophobicContact CD1-CB 4.02Å; I443-L480 HydrophobicContact CG1-CB 4.38Å; I443-L480 HydrophobicContact CG1-CD1 4.09Å; L446-L480 HydrophobicContact CD1-CD1 4.39Å; L461-L480 HydrophobicContact CB-CD1 3.99Å; L461-L480 HydrophobicContact CD1-CD1 3.64Å; L461-L480 HydrophobicContact CD2-CD1 3.96Å; L461-L480 HydrophobicContact CG-CD1 4.07Å; V468-L480 HydrophobicContact CB-CD2 4.33Å; V468-L480 HydrophobicContact CG1-CD2 3.85Å; V468-L480 HydrophobicContact CG2-CD2 4.18Å; H476-L480 VanDerWaalsContact O-CB 3.23Å; H476-L480 WeakPolarHBondContact O-CB 3.39Å; H476-L480 PolarHBondContact O-N 3.09Å; L477-L480 PolarHBondContact O-N 2.91Å; L480-T482 PolarHBondContact O-N 2.77Å; L480-E483 PolarHBondContact O-N 3.27Å; L480-E483 VanDerWaalsContact O-N 3.16Å; L480-L484 HydrophobicContact CD1-CD1 3.75Å; L480-L484 HydrophobicContact CD1-CG 3.88Å; L480-L484 HydrophobicContact CG-CD1 3.9Å; L480-L484 HydrophobicContact CG-CG 4.41Å; L480-L484 WeakPolarHBondContact O-CB 3.34Å; L480-L484 PolarHBondContact O-N 2.72Å; L480-L506 HydrophobicContact CD2-CD1 4.32Å; L480-L506 HydrophobicContact CD2-CD2 4.29Å; L480-L506 HydrophobicContact CG-CD2 4.31Å |
| 481 | M | 98.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -51.9 | -45.2 | 176.6 | 178 | -163.2 | 67.9 | 0 | 0 | 110.9 | L477 E483 L484 L485 F503 L506 L514 Y517 I521 | L477-M481 VanDerWaalsContact O-CB 3.25Å; L477-M481 WeakPolarHBondContact O-CB 3.5Å; L477-M481 PolarHBondContact O-N 3.37Å; M481-E483 PolarHBondContact O-N 3.35Å; M481-L484 PolarHBondContact O-N 3.36Å; M481-L485 HydrophobicContact CG-CD1 3.96Å; M481-L485 HydrophobicContact CG-CG 4.46Å; M481-L485 WeakPolarHBondContact O-CB 3.48Å; M481-L485 WeakPolarHBondContact O-CG 3.36Å; M481-L485 PolarHBondContact O-N 3.33Å; M481-F503 HydrophobicContact CG-CE2 3.88Å; M481-F503 HydrophobicContact CG-CZ 4.41Å; M481-L506 HydrophobicContact CB-CD2 4.38Å; M481-L514 HydrophobicContact SD-CD2 4.3Å; M481-Y517 HydrophobicContact CE-CD1 3.76Å; M481-Y517 HydrophobicContact CE-CD2 4Å; M481-Y517 HydrophobicContact CE-CE1 4.36Å; M481-Y517 HydrophobicContact CE-CG 3.55Å; M481-Y517 HydrophobicContact SD-CD2 3.8Å; M481-Y517 HydrophobicContact SD-CG 3.73Å; M481-I521 HydrophobicContact SD-CD1 4.1Å; M481-I521 HydrophobicContact SD-CG1 4.26Å |
| 482 | T | 98.4 | Very high | 96.7 | Very high | 37 Ų | 37 | 36.2 Ų | 36.2 | 23% | 0.227 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -44.2 | -178.9 | -59 | 0 | 0 | 0 | 0 | 112.5 | K478 P479 L480 K486 | K478-T482 VanDerWaalsContact O-CB 3.32Å; K478-T482 WeakPolarHBondContact O-CB 3.35Å; K478-T482 PolarHBondContact O-N 3.03Å; K478-T482 PolarHBondContact O-OG1 3.23Å; P479-T482 PolarHBondContact O-N 3.11Å; L480-T482 PolarHBondContact O-N 2.77Å; T482-K486 WeakPolarHBondContact O-CG 3.5Å; T482-K486 PolarHBondContact O-N 3.03Å |
| 483 | E | 98.5 | Very high | 96.6 | Very high | 38 Ų | 38 | 33.2 Ų | 33.2 | 18% | 0.178 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -76.8 | -34.7 | -179.9 | -63 | -51.5 | 135.9 | 0 | 0 | 112.3 | I443 L446 P479 L480 M481 K486 R487 | I443-E483 HydrophobicContact CG2-CB 4.26Å; I443-E483 HydrophobicContact CG2-CG 3.83Å; L446-E483 HydrophobicContact CD1-CB 3.75Å; P479-E483 PolarHBondContact O-N 3.02Å; P479-E483 VanDerWaalsContact O-N 3.08Å; L480-E483 PolarHBondContact O-N 3.27Å; L480-E483 VanDerWaalsContact O-N 3.16Å; M481-E483 PolarHBondContact O-N 3.35Å; E483-K486 VanDerWaalsContact CD-NZ 3.26Å; E483-K486 WeakPolarHBondContact O-CB 3.4Å; E483-K486 PolarHBondContact O-N 3.29Å; E483-K486 IonicContact OE1-NZ 2.81Å; E483-K486 PolarHBondContact OE1-NZ 3.19Å; E483-K486 WeakPolarHBondContact OE2-CD 3.49Å; E483-K486 IonicContact OE2-NZ 2.78Å; E483-K486 PolarHBondContact OE2-NZ 2.85Å; E483-K486 VanDerWaalsContact OE2-NZ 3.09Å; E483-R487 WeakPolarHBondContact O-CG 3.49Å; E483-R487 PolarHBondContact O-N 3.01Å; E483-R487 VanDerWaalsContact O-N 3.11Å |
| 484 | L | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 172.4 | -80 | 177.7 | 0 | 0 | 0 | 111.9 | L446 C458 L480 M481 K486 R487 I488 A502 F503 L506 | L446-L484 HydrophobicContact CD1-CD2 4.18Å; L446-L484 HydrophobicContact CD1-CG 4.28Å; L446-L484 HydrophobicContact CD2-CD2 4.22Å; C458-L484 HydrophobicContact CB-CD2 4.21Å; L480-L484 HydrophobicContact CD1-CD1 3.75Å; L480-L484 HydrophobicContact CD1-CG 3.88Å; L480-L484 HydrophobicContact CG-CD1 3.9Å; L480-L484 HydrophobicContact CG-CG 4.41Å; L480-L484 WeakPolarHBondContact O-CB 3.34Å; L480-L484 PolarHBondContact O-N 2.72Å; M481-L484 PolarHBondContact O-N 3.36Å; L484-K486 PolarHBondContact O-N 3.28Å; L484-R487 CarbonylContact O-C 3.41Å; L484-R487 WeakPolarHBondContact O-CA 3.3Å; L484-R487 WeakPolarHBondContact O-CB 3.33Å; L484-R487 PolarHBondContact O-N 3.41Å; L484-I488 PolarHBondContact O-N 3.19Å; L484-A502 HydrophobicContact CD2-CB 4.32Å; L484-F503 HydrophobicContact CB-CD2 4.28Å; L484-F503 HydrophobicContact CD1-CD2 4.43Å; L484-L506 HydrophobicContact CD1-CD2 4.04Å |
| 485 | L | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.2 | -33.5 | 175.8 | -71.8 | 172.8 | 0 | 0 | 0 | 112.1 | M481 R487 I488 F503 F520 I521 T524 | M481-L485 HydrophobicContact CG-CD1 3.96Å; M481-L485 HydrophobicContact CG-CG 4.46Å; M481-L485 WeakPolarHBondContact O-CB 3.48Å; M481-L485 WeakPolarHBondContact O-CG 3.36Å; M481-L485 PolarHBondContact O-N 3.33Å; L485-R487 VanDerWaalsContact C-N 3.31Å; L485-R487 PolarHBondContact O-N 3.15Å; L485-I488 HydrophobicContact CD2-CD1 4.05Å; L485-F503 HydrophobicContact CD2-CD1 4.34Å; L485-F503 HydrophobicContact CD2-CD2 4.43Å; L485-F503 HydrophobicContact CD2-CE1 3.83Å; L485-F503 HydrophobicContact CD2-CE2 3.97Å; L485-F503 HydrophobicContact CD2-CZ 3.65Å; L485-F503 HydrophobicContact CG-CE2 4.15Å; L485-F503 HydrophobicContact CG-CZ 4.23Å; L485-F520 HydrophobicContact CD1-CD1 3.56Å; L485-F520 HydrophobicContact CD1-CE1 3.36Å; L485-F520 HydrophobicContact CD1-CZ 4.16Å; L485-I521 HydrophobicContact CD1-CG1 4.08Å; L485-I521 HydrophobicContact CD2-CG2 4.42Å; L485-T524 HydrophobicContact CB-CG2 4.03Å; L485-T524 HydrophobicContact CD2-CG2 3.98Å; L485-T524 VanDerWaalsContact O-CG2 3.28Å; L485-T524 WeakPolarHBondContact O-CG2 3.45Å |
| 486 | K | 98.6 | Very high | 97 | Very high | 95 Ų | 95 | 24.9 Ų | 24.9 | 41% | 0.413 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -70.9 | -25.4 | 171.6 | -67.8 | 173.1 | -169.3 | 166.4 | 0 | 113.2 | T482 E483 L484 | T482-K486 WeakPolarHBondContact O-CG 3.5Å; T482-K486 PolarHBondContact O-N 3.03Å; E483-K486 VanDerWaalsContact CD-NZ 3.26Å; E483-K486 WeakPolarHBondContact O-CB 3.4Å; E483-K486 PolarHBondContact O-N 3.29Å; E483-K486 IonicContact OE1-NZ 2.81Å; E483-K486 PolarHBondContact OE1-NZ 3.19Å; E483-K486 WeakPolarHBondContact OE2-CD 3.49Å; E483-K486 IonicContact OE2-NZ 2.78Å; E483-K486 PolarHBondContact OE2-NZ 2.85Å; E483-K486 VanDerWaalsContact OE2-NZ 3.09Å; L484-K486 PolarHBondContact O-N 3.28Å |
| 487 | R | 98.4 | Very high | 97 | Very high | 49 Ų | 49 | 25.6 Ų | 25.6 | 19% | 0.185 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -83.6 | -27.7 | 176.1 | -68.4 | -51.4 | 88.5 | 175.1 | -3.1 | 113 | L446 E483 L484 L485 L489 D490 V495 A499 | L446-R487 HydrophobicContact CB-CG 4.16Å; L446-R487 HydrophobicContact CD2-CG 4.29Å; L446-R487 VanDerWaalsContact O-CD 3.26Å; L446-R487 WeakPolarHBondContact O-CD 3.43Å; E483-R487 WeakPolarHBondContact O-CG 3.49Å; E483-R487 PolarHBondContact O-N 3.01Å; E483-R487 VanDerWaalsContact O-N 3.11Å; L484-R487 CarbonylContact O-C 3.41Å; L484-R487 WeakPolarHBondContact O-CA 3.3Å; L484-R487 WeakPolarHBondContact O-CB 3.33Å; L484-R487 PolarHBondContact O-N 3.41Å; L485-R487 VanDerWaalsContact C-N 3.31Å; L485-R487 PolarHBondContact O-N 3.15Å; R487-L489 PolarHBondContact O-N 3.03Å; R487-L489 VanDerWaalsContact O-N 3.16Å; R487-D490 WeakPolarHBondContact CD-OD2 3.49Å; R487-D490 IonicContact CZ-OD2 2.73Å; R487-D490 VanDerWaalsContact CZ-OD2 3.25Å; R487-D490 IonicContact NE-OD2 3.21Å; R487-D490 IonicContact NH1-OD2 2.66Å; R487-D490 PolarHBondContact NH1-OD2 3.42Å; R487-D490 WeakPolarHBondContact O-CB 3.45Å; R487-D490 PolarHBondContact O-N 3.46Å; R487-V495 HydrophobicContact CB-CG1 4.22Å; R487-V495 HydrophobicContact CG-CG1 4.45Å; R487-A499 HydrophobicContact CB-CB 3.45Å; R487-A499 VanDerWaalsContact CB-CB 3.45Å |
| 488 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -53.8 | -33.5 | 163.6 | -69.3 | -176.7 | 0 | 0 | 0 | 109.7 | L484 L485 A499 F503 T524 L525 A528 Y532 | L484-I488 PolarHBondContact O-N 3.19Å; L485-I488 HydrophobicContact CD2-CD1 4.05Å; I488-A499 HydrophobicContact CG1-CB 4.15Å; I488-F503 HydrophobicContact CD1-CB 3.92Å; I488-F503 HydrophobicContact CD1-CD1 3.85Å; I488-F503 HydrophobicContact CD1-CG 3.91Å; I488-T524 HydrophobicContact CB-CG2 4.38Å; I488-T524 HydrophobicContact CG2-CG2 4.19Å; I488-L525 HydrophobicContact CD1-CD2 3.93Å; I488-L525 HydrophobicContact CG2-CD2 4.46Å; I488-A528 HydrophobicContact CG2-CB 4.23Å; I488-Y532 WeakPolarHBondContact CG2-OH 3.43Å; I488-Y532 WeakPolarHBondContact O-CE1 3.29Å; I488-Y532 PolarHBondContact O-OH 3.2Å |
| 489 | L | 98.3 | Very high | 96.8 | Very high | 45 Ų | 45 | 22.4 Ų | 22.4 | 24% | 0.236 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | 24.3 | 176.8 | -54.1 | -175.6 | 0 | 0 | 0 | 114.3 | R487 T524 F527 A528 K531 | R487-L489 PolarHBondContact O-N 3.03Å; R487-L489 VanDerWaalsContact O-N 3.16Å; L489-T524 HydrophobicContact CD1-CG2 3.95Å; L489-T524 HydrophobicContact CD2-CG2 4.32Å; L489-T524 HydrophobicContact CG-CG2 3.88Å; L489-F527 HydrophobicContact CD1-CD1 3.79Å; L489-F527 HydrophobicContact CD1-CE1 4.37Å; L489-F527 HydrophobicContact CD1-CG 4.4Å; L489-F527 HydrophobicContact CD2-CD1 3.75Å; L489-F527 HydrophobicContact CD2-CE1 4.5Å; L489-F527 HydrophobicContact CG-CD1 4.39Å; L489-A528 HydrophobicContact CD2-CB 4.01Å; L489-K531 HydrophobicContact CB-CD 4.35Å; L489-K531 HydrophobicContact CD2-CD 4.13Å; L489-K531 WeakPolarHBondContact O-CE 3.36Å; L489-K531 PolarHBondContact O-NZ 3Å |
| 490 | D | 98.2 | Very high | 96.8 | Very high | 5 Ų | 5 | 20.2 Ų | 20.2 | 3% | 0.027 | 10% | 0.101 | C | C | . | . | trans | -62.2 | 158.3 | -179.9 | -159.1 | -76.4 | 0 | 0 | 0 | 112.7 | R454 R487 N492 V495 Q496 K531 | R454-D490 IonicContact CZ-OD1 3.39Å; R454-D490 IonicContact CZ-OD2 2.7Å; R454-D490 IonicContact NE-OD1 2.65Å; R454-D490 IonicContact NE-OD2 3.91Å; R454-D490 PolarHBondContact NE-OD2 2.71Å; R454-D490 IonicContact NH2-OD1 2.97Å; R454-D490 PolarHBondContact NH2-OD1 3.16Å; R454-D490 IonicContact NH2-OD2 2.79Å; R454-D490 PolarHBondContact NH2-OD2 2.83Å; R487-D490 WeakPolarHBondContact CD-OD2 3.49Å; R487-D490 IonicContact CZ-OD2 2.73Å; R487-D490 VanDerWaalsContact CZ-OD2 3.25Å; R487-D490 IonicContact NE-OD2 3.21Å; R487-D490 IonicContact NH1-OD2 2.66Å; R487-D490 PolarHBondContact NH1-OD2 3.42Å; R487-D490 WeakPolarHBondContact O-CB 3.45Å; R487-D490 PolarHBondContact O-N 3.46Å; D490-N492 VanDerWaalsContact C-N 3.26Å; D490-N492 PolarHBondContact OD1-N 3.39Å; D490-V495 HydrophobicContact CB-CB 3.79Å; D490-V495 HydrophobicContact CB-CG1 3.63Å; D490-V495 VanDerWaalsContact CG-CG1 3.44Å; D490-V495 WeakPolarHBondContact OD2-CG1 3.15Å; D490-Q496 HydrophobicContact CB-CG 4.38Å; D490-Q496 PolarHBondContact O-NE2 3.48Å; D490-K531 WeakPolarHBondContact O-CE 3.12Å | ||
| 491 | G | 96 | Very high | 96.6 | Very high | 18 Ų | 18 | 22.7 Ų | 22.7 | 19% | 0.186 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -73.2 | -18.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E322 D323 E324 | E322-G491 CarbonylContact C-O 3.49Å; E322-G491 VanDerWaalsContact CA-O 3.31Å; E322-G491 WeakPolarHBondContact CA-O 3.48Å; D323-G491 PolarHBondContact N-O 3.14Å; E324-G491 WeakPolarHBondContact CB-O 3.47Å; E324-G491 PolarHBondContact N-O 3.45Å; E324-G491 WeakPolarHBondContact OE2-CA 3.45Å |
| 492 | N | 94.8 | Very high | 96.4 | Very high | 13 Ų | 13 | 22.7 Ų | 22.7 | 7% | 0.07 | 12% | 0.119 | C | C | . | . | S | Bend | trans | -106.2 | 129.3 | -178.7 | -176.9 | -83 | 0 | 0 | 0 | 111.6 | V320 E321 D323 A451 D490 R494 V495 Q496 | V320-N492 PolarHBondContact O-ND2 3.31Å; E321-N492 WeakPolarHBondContact O-CB 3.35Å; D323-N492 VanDerWaalsContact OD1-CA 3.26Å; D323-N492 WeakPolarHBondContact OD1-CA 3.46Å; A451-N492 HydrophobicContact CB-CB 4.02Å; D490-N492 VanDerWaalsContact C-N 3.26Å; D490-N492 PolarHBondContact OD1-N 3.39Å; N492-R494 PolarHBondContact O-N 3.35Å; N492-R494 WeakPolarHBondContact OD1-CA 3.49Å; N492-R494 VanDerWaalsContact OD1-CB 3.28Å; N492-R494 WeakPolarHBondContact OD1-CB 3.33Å; N492-R494 PolarHBondContact OD1-N 2.87Å; N492-V495 HydrophobicContact CB-CB 4.3Å; N492-V495 HydrophobicContact CB-CG2 3.96Å; N492-V495 PolarHBondContact O-N 3.26Å; N492-V495 VanDerWaalsContact O-N 3.13Å; N492-V495 PolarHBondContact OD1-N 3.22Å; N492-Q496 WeakPolarHBondContact O-CG 3.37Å; N492-Q496 PolarHBondContact O-N 3.19Å |
| 493 | K | 92.8 | Very high | 96.4 | Very high | 23 Ų | 23 | 21 Ų | 21 | 10% | 0.1 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62.9 | -35.6 | -177.5 | -67.5 | -172.2 | -63.5 | 176.4 | 0 | 113.4 | D323 I326 D328 V495 Q496 E497 Q533 N536 | D323-K493 PolarHBondContact OD1-N 3.49Å; D323-K493 WeakPolarHBondContact OD2-CE 3.41Å; I326-K493 PolarHBondContact O-NZ 3.27Å; D328-K493 IonicContact OD1-NZ 3.78Å; D328-K493 PolarHBondContact OD1-NZ 3.12Å; K493-V495 VanDerWaalsContact C-N 3.32Å; K493-V495 PolarHBondContact O-N 3.35Å; K493-Q496 WeakPolarHBondContact O-CB 3.18Å; K493-Q496 PolarHBondContact O-N 3.17Å; K493-E497 PolarHBondContact O-N 3.36Å; K493-Q533 HydrophobicContact CD-CB 4.29Å; K493-Q533 HydrophobicContact CD-CG 4.03Å; K493-N536 PolarHBondContact O-ND2 3.05Å |
| 494 | R | 91 | Very high | 96.2 | Very high | 37 Ų | 37 | 19.8 Ų | 19.8 | 14% | 0.14 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -66.9 | -35.9 | 175.3 | -177.7 | 179.6 | -110.2 | 119 | -1.9 | 111.7 | D367 N492 A498 | D367-R494 IonicContact OD2-CZ 2.98Å; D367-R494 IonicContact OD2-NE 2.7Å; D367-R494 IonicContact OD2-NH2 3.34Å; D367-R494 PolarHBondContact OD2-NH2 3Å; N492-R494 PolarHBondContact O-N 3.35Å; N492-R494 WeakPolarHBondContact OD1-CA 3.49Å; N492-R494 VanDerWaalsContact OD1-CB 3.28Å; N492-R494 WeakPolarHBondContact OD1-CB 3.33Å; N492-R494 PolarHBondContact OD1-N 2.87Å; R494-A498 WeakPolarHBondContact O-CB 3.48Å; R494-A498 PolarHBondContact O-N 3.3Å |
| 495 | V | 96.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -71.2 | -37.7 | 176.2 | -176.6 | 0 | 0 | 0 | 0 | 110.9 | A451 R454 R487 D490 N492 K493 A499 | A451-V495 HydrophobicContact CB-CG2 3.85Å; A451-V495 VanDerWaalsContact O-CG2 3.29Å; A451-V495 WeakPolarHBondContact O-CG2 3.42Å; R454-V495 HydrophobicContact CB-CG1 3.9Å; R454-V495 HydrophobicContact CB-CG2 4.03Å; R487-V495 HydrophobicContact CB-CG1 4.22Å; R487-V495 HydrophobicContact CG-CG1 4.45Å; D490-V495 HydrophobicContact CB-CB 3.79Å; D490-V495 HydrophobicContact CB-CG1 3.63Å; D490-V495 VanDerWaalsContact CG-CG1 3.44Å; D490-V495 WeakPolarHBondContact OD2-CG1 3.15Å; N492-V495 HydrophobicContact CB-CB 4.3Å; N492-V495 HydrophobicContact CB-CG2 3.96Å; N492-V495 PolarHBondContact O-N 3.26Å; N492-V495 VanDerWaalsContact O-N 3.13Å; N492-V495 PolarHBondContact OD1-N 3.22Å; K493-V495 VanDerWaalsContact C-N 3.32Å; K493-V495 PolarHBondContact O-N 3.35Å; V495-A499 WeakPolarHBondContact O-CB 3.36Å; V495-A499 PolarHBondContact O-N 3.17Å |
| 496 | Q | 97.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -58.3 | -50.2 | 173.1 | -68.3 | 170.6 | 2.1 | 0 | 0 | 111.4 | D490 N492 K493 A499 C500 Y532 N536 | D490-Q496 HydrophobicContact CB-CG 4.38Å; D490-Q496 PolarHBondContact O-NE2 3.48Å; N492-Q496 WeakPolarHBondContact O-CG 3.37Å; N492-Q496 PolarHBondContact O-N 3.19Å; K493-Q496 WeakPolarHBondContact O-CB 3.18Å; K493-Q496 PolarHBondContact O-N 3.17Å; Q496-A499 PolarHBondContact O-N 3.11Å; Q496-C500 VanDerWaalsContact O-CB 3.24Å; Q496-C500 WeakPolarHBondContact O-CB 3.4Å; Q496-C500 PolarHBondContact O-N 3.13Å; Q496-Y532 HydrophobicContact CB-CE1 3.77Å; Q496-Y532 HydrophobicContact CG-CD1 4.49Å; Q496-Y532 HydrophobicContact CG-CE1 3.76Å; Q496-Y532 PolarHBondContact O-OH 3.16Å; Q496-N536 WeakPolarHBondContact CB-ND2 3.2Å; Q496-N536 PolarHBondContact OE1-ND2 3.08Å |
| 497 | E | 93.8 | Very high | 95.5 | Very high | 42 Ų | 42 | 17.4 Ų | 17.4 | 20% | 0.196 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -55 | -59.4 | 174.5 | 162.8 | 169.5 | -154.7 | 0 | 0 | 111.1 | K493 A499 C500 S501 K535 I539 | K493-E497 PolarHBondContact O-N 3.36Å; E497-A499 VanDerWaalsContact C-N 3.27Å; E497-A499 PolarHBondContact O-N 2.71Å; E497-C500 PolarHBondContact O-N 3.44Å; E497-C500 VanDerWaalsContact O-N 3.09Å; E497-S501 PolarHBondContact O-N 3.4Å; E497-S501 PolarHBondContact O-OG 2.82Å; E497-K535 WeakPolarHBondContact OE1-CE 3.46Å; E497-K535 IonicContact OE1-NZ 3.34Å; E497-K535 PolarHBondContact OE1-NZ 2.95Å; E497-K535 IonicContact OE2-NZ 2.71Å; E497-K535 PolarHBondContact OE2-NZ 2.93Å; E497-I539 HydrophobicContact CB-CD1 3.86Å; E497-I539 HydrophobicContact CG-CD1 3.58Å |
| 498 | A | 94.1 | Very high | 95.1 | Very high | 16 Ų | 16 | 20.3 Ų | 20.3 | 13% | 0.132 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60 | -35.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S455 C458 R494 A502 | S455-A498 WeakPolarHBondContact OG-CB 3.37Å; C458-A498 HydrophobicContact CB-CB 4.15Å; C458-A498 WeakPolarHBondContact CB-O 3.33Å; R494-A498 WeakPolarHBondContact O-CB 3.48Å; R494-A498 PolarHBondContact O-N 3.3Å; A498-A502 WeakPolarHBondContact O-CB 3.29Å; A498-A502 PolarHBondContact O-N 3.02Å |
| 499 | A | 97.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -73.1 | -36.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R487 I488 V495 Q496 E497 F503 | R487-A499 HydrophobicContact CB-CB 3.45Å; R487-A499 VanDerWaalsContact CB-CB 3.45Å; I488-A499 HydrophobicContact CG1-CB 4.15Å; V495-A499 WeakPolarHBondContact O-CB 3.36Å; V495-A499 PolarHBondContact O-N 3.17Å; Q496-A499 PolarHBondContact O-N 3.11Å; E497-A499 VanDerWaalsContact C-N 3.27Å; E497-A499 PolarHBondContact O-N 2.71Å; A499-F503 WeakPolarHBondContact O-CB 3.34Å; A499-F503 PolarHBondContact O-N 3.47Å |
| 500 | C | 96.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -69.4 | -46.8 | 178.9 | -155.6 | 0 | 0 | 0 | 0 | 110.4 | Q496 E497 F503 A504 I539 | Q496-C500 VanDerWaalsContact O-CB 3.24Å; Q496-C500 WeakPolarHBondContact O-CB 3.4Å; Q496-C500 PolarHBondContact O-N 3.13Å; E497-C500 PolarHBondContact O-N 3.44Å; E497-C500 VanDerWaalsContact O-N 3.09Å; C500-F503 PolarHBondContact O-N 3.04Å; C500-A504 PolarHBondContact O-N 2.66Å; C500-I539 HydrophobicContact CB-CG2 3.79Å |
| 501 | S | 94 | Very high | 94.2 | Very high | 55 Ų | 55 | 24.2 Ų | 24.2 | 39% | 0.385 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -62.1 | -46.1 | 175 | -53.4 | 0 | 0 | 0 | 0 | 111.8 | E497 F503 A504 T505 | E497-S501 PolarHBondContact O-N 3.4Å; E497-S501 PolarHBondContact O-OG 2.82Å; S501-F503 PolarHBondContact O-N 3.49Å; S501-A504 PolarHBondContact O-N 3.19Å; S501-T505 PolarHBondContact O-N 2.66Å; S501-T505 VanDerWaalsContact O-N 3.15Å; S501-T505 PolarHBondContact O-OG1 3.36Å |
| 502 | A | 95.1 | Very high | 94 | Very high | 2 Ų | 2 | 27.1 Ų | 27.1 | 2% | 0.017 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -63.2 | -28 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | C458 L484 A498 L506 | C458-A502 HydrophobicContact CB-CB 3.86Å; C458-A502 VanDerWaalsContact O-CB 3.29Å; C458-A502 WeakPolarHBondContact O-CB 3.33Å; L484-A502 HydrophobicContact CD2-CB 4.32Å; A498-A502 WeakPolarHBondContact O-CB 3.29Å; A498-A502 PolarHBondContact O-N 3.02Å; A502-L506 PolarHBondContact O-N 3.28Å |
| 503 | F | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -77 | -37.7 | 175.6 | -168.7 | -110.1 | 0 | 0 | 0 | 112 | M481 L484 L485 I488 A499 C500 S501 L506 E507 I521 | M481-F503 HydrophobicContact CG-CE2 3.88Å; M481-F503 HydrophobicContact CG-CZ 4.41Å; L484-F503 HydrophobicContact CB-CD2 4.28Å; L484-F503 HydrophobicContact CD1-CD2 4.43Å; L485-F503 HydrophobicContact CD2-CD1 4.34Å; L485-F503 HydrophobicContact CD2-CD2 4.43Å; L485-F503 HydrophobicContact CD2-CE1 3.83Å; L485-F503 HydrophobicContact CD2-CE2 3.97Å; L485-F503 HydrophobicContact CD2-CZ 3.65Å; L485-F503 HydrophobicContact CG-CE2 4.15Å; L485-F503 HydrophobicContact CG-CZ 4.23Å; I488-F503 HydrophobicContact CD1-CB 3.92Å; I488-F503 HydrophobicContact CD1-CD1 3.85Å; I488-F503 HydrophobicContact CD1-CG 3.91Å; A499-F503 WeakPolarHBondContact O-CB 3.34Å; A499-F503 PolarHBondContact O-N 3.47Å; C500-F503 PolarHBondContact O-N 3.04Å; S501-F503 PolarHBondContact O-N 3.49Å; F503-L506 HydrophobicContact CD2-CD2 4.21Å; F503-L506 HydrophobicContact CE2-CD2 4.26Å; F503-L506 CarbonylContact O-C 3.34Å; F503-L506 WeakPolarHBondContact O-CA 3.23Å; F503-L506 WeakPolarHBondContact O-CB 3.46Å; F503-L506 PolarHBondContact O-N 2.95Å; F503-L506 VanDerWaalsContact O-N 3.08Å; F503-E507 HydrophobicContact CD1-CG 4.16Å; F503-E507 WeakPolarHBondContact CD1-OE1 3.4Å; F503-E507 HydrophobicContact CE1-CG 3.94Å; F503-E507 WeakPolarHBondContact CE1-OE1 3.38Å; F503-E507 HydrophobicContact CZ-CG 4.32Å; F503-E507 WeakPolarHBondContact O-CG 3.43Å; F503-E507 PolarHBondContact O-N 3.25Å; F503-I521 HydrophobicContact CE1-CG2 3.65Å; F503-I521 HydrophobicContact CZ-CD1 4.13Å; F503-I521 HydrophobicContact CZ-CG1 4.01Å; F503-I521 HydrophobicContact CZ-CG2 3.82Å |
| 504 | A | 93.5 | Very high | 94.2 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 11% | 0.107 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -58.3 | -47.3 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | C500 S501 L506 E507 E508 A543 T546 | C500-A504 PolarHBondContact O-N 2.66Å; S501-A504 PolarHBondContact O-N 3.19Å; A504-L506 VanDerWaalsContact C-N 3.25Å; A504-L506 PolarHBondContact O-N 3.05Å; A504-E507 WeakPolarHBondContact O-CA 3.3Å; A504-E507 VanDerWaalsContact O-CB 3.31Å; A504-E507 WeakPolarHBondContact O-CB 3.32Å; A504-E507 PolarHBondContact O-N 3.08Å; A504-E508 PolarHBondContact O-N 2.8Å; A504-E508 VanDerWaalsContact O-N 3.08Å; A504-A543 HydrophobicContact CB-CB 4.44Å; A504-T546 HydrophobicContact CB-CG2 4.37Å |
| 505 | T | 92.3 | Very high | 94.5 | Very high | 47 Ų | 47 | 30.2 Ų | 30.2 | 29% | 0.288 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -59.4 | -36.2 | 173 | -48.1 | 0 | 0 | 0 | 0 | 112.5 | S501 E507 E509 | S501-T505 PolarHBondContact O-N 2.66Å; S501-T505 VanDerWaalsContact O-N 3.15Å; S501-T505 PolarHBondContact O-OG1 3.36Å; T505-E507 VanDerWaalsContact C-N 3.31Å; T505-E509 WeakPolarHBondContact O-CG 3.45Å; T505-E509 PolarHBondContact O-N 3.23Å |
| 506 | L | 95.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69 | -31.2 | 175.5 | -175.7 | 64.3 | 0 | 0 | 0 | 111.9 | A465 V469 L477 L480 M481 L484 A502 F503 A504 A510 | A465-L506 HydrophobicContact CB-CD1 4Å; V469-L506 HydrophobicContact CG2-CD1 4.05Å; L477-L506 HydrophobicContact CD1-CD1 3.79Å; L477-L506 HydrophobicContact CD1-CD2 4.22Å; L477-L506 HydrophobicContact CD1-CG 4.26Å; L480-L506 HydrophobicContact CD2-CD1 4.32Å; L480-L506 HydrophobicContact CD2-CD2 4.29Å; L480-L506 HydrophobicContact CG-CD2 4.31Å; M481-L506 HydrophobicContact CB-CD2 4.38Å; L484-L506 HydrophobicContact CD1-CD2 4.04Å; A502-L506 PolarHBondContact O-N 3.28Å; F503-L506 HydrophobicContact CD2-CD2 4.21Å; F503-L506 HydrophobicContact CE2-CD2 4.26Å; F503-L506 CarbonylContact O-C 3.34Å; F503-L506 WeakPolarHBondContact O-CA 3.23Å; F503-L506 WeakPolarHBondContact O-CB 3.46Å; F503-L506 PolarHBondContact O-N 2.95Å; F503-L506 VanDerWaalsContact O-N 3.08Å; A504-L506 VanDerWaalsContact C-N 3.25Å; A504-L506 PolarHBondContact O-N 3.05Å; L506-A510 WeakPolarHBondContact O-CB 3.31Å; L506-A510 PolarHBondContact O-N 3.28Å |
| 507 | E | 94.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.6 | -48 | 175.2 | -69.9 | 168.6 | 150.7 | 0 | 0 | 111.4 | F503 A504 T505 E509 A510 C511 L514 T546 L547 S550 | F503-E507 HydrophobicContact CD1-CG 4.16Å; F503-E507 WeakPolarHBondContact CD1-OE1 3.4Å; F503-E507 HydrophobicContact CE1-CG 3.94Å; F503-E507 WeakPolarHBondContact CE1-OE1 3.38Å; F503-E507 HydrophobicContact CZ-CG 4.32Å; F503-E507 WeakPolarHBondContact O-CG 3.43Å; F503-E507 PolarHBondContact O-N 3.25Å; A504-E507 WeakPolarHBondContact O-CA 3.3Å; A504-E507 VanDerWaalsContact O-CB 3.31Å; A504-E507 WeakPolarHBondContact O-CB 3.32Å; A504-E507 PolarHBondContact O-N 3.08Å; T505-E507 VanDerWaalsContact C-N 3.31Å; E507-E509 VanDerWaalsContact C-N 3.33Å; E507-E509 PolarHBondContact O-N 3.46Å; E507-A510 PolarHBondContact O-N 2.96Å; E507-C511 PolarHBondContact O-N 3.06Å; E507-L514 HydrophobicContact CB-CD1 4Å; E507-L514 HydrophobicContact CG-CD1 3.61Å; E507-T546 HydrophobicContact CB-CG2 4.02Å; E507-L547 HydrophobicContact CG-CD1 4.27Å; E507-L547 WeakPolarHBondContact OE1-CB 3.36Å; E507-L547 WeakPolarHBondContact OE1-CD1 3.39Å; E507-L547 PolarHBondContact OE2-N 2.77Å; E507-S550 VanDerWaalsContact C-OG 3.27Å; E507-S550 PolarHBondContact O-OG 3.22Å; E507-S550 VanDerWaalsContact O-OG 3.08Å |
| 508 | E | 89.9 | Confident | 94.7 | Very high | 109 Ų | 109 | 35.2 Ų | 35.2 | 51% | 0.509 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -56.2 | -46.9 | 175.9 | -69.8 | 160 | -173 | 0 | 0 | 111.5 | A504 C511 T546 | A504-E508 PolarHBondContact O-N 2.8Å; A504-E508 VanDerWaalsContact O-N 3.08Å; E508-C511 PolarHBondContact O-SG 2.73Å; E508-T546 HydrophobicContact CG-CG2 3.52Å |
| 509 | E | 89.8 | Confident | 94.9 | Very high | 74 Ų | 74 | 36 Ų | 36 | 35% | 0.346 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -70.8 | -42.4 | -179.6 | -72.3 | -70 | 174.4 | 0 | 0 | 112.8 | A465 H466 V469 T505 E507 | A465-E509 HydrophobicContact CB-CB 4.22Å; A465-E509 HydrophobicContact CB-CG 3.94Å; H466-E509 WeakPolarHBondContact CA-OE2 3.21Å; H466-E509 WeakPolarHBondContact CB-OE2 3.09Å; H466-E509 IonicContact CD2-OE2 3.93Å; H466-E509 PolarHBondContact CD2-OE2 3.18Å; H466-E509 IonicContact CG-OE2 2.88Å; V469-E509 HydrophobicContact CG2-CB 4.07Å; T505-E509 WeakPolarHBondContact O-CG 3.45Å; T505-E509 PolarHBondContact O-N 3.23Å; E507-E509 VanDerWaalsContact C-N 3.33Å; E507-E509 PolarHBondContact O-N 3.46Å |
| 510 | A | 92.6 | Very high | 94.9 | Very high | 3 Ų | 3 | 40.5 Ų | 40.5 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -79.6 | -28.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113 | V469 L506 E507 T512 E513 L514 | V469-A510 HydrophobicContact CG1-CB 4.47Å; V469-A510 HydrophobicContact CG2-CB 3.85Å; L506-A510 WeakPolarHBondContact O-CB 3.31Å; L506-A510 PolarHBondContact O-N 3.28Å; E507-A510 PolarHBondContact O-N 2.96Å; A510-T512 PolarHBondContact O-N 2.78Å; A510-T512 VanDerWaalsContact O-N 3.16Å; A510-E513 HydrophobicContact CB-CB 4.42Å; A510-E513 WeakPolarHBondContact O-CB 3.32Å; A510-E513 WeakPolarHBondContact O-CG 3.27Å; A510-E513 PolarHBondContact O-N 3.37Å; A510-L514 HydrophobicContact CB-CD1 4.12Å; A510-L514 HydrophobicContact CB-CD2 3.73Å; A510-L514 HydrophobicContact CB-CG 3.6Å |
| 511 | C | 93.7 | Very high | 95 | Very high | 56 Ų | 56 | 40.5 Ų | 40.5 | 38% | 0.378 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | 45.3 | -121.1 | -178.4 | -75.5 | 0 | 0 | 0 | 0 | 111.6 | E507 E508 E513 L514 S550 | E507-C511 PolarHBondContact O-N 3.06Å; E508-C511 PolarHBondContact O-SG 2.73Å; C511-E513 PolarHBondContact O-N 2.83Å; C511-L514 PolarHBondContact O-N 2.66Å; C511-S550 CarbonylContact C-O 3.58Å |
| 512 | T | 92.4 | Very high | 95.2 | Very high | 78 Ų | 78 | 37.9 Ų | 37.9 | 48% | 0.479 | 21% | 0.206 | S | C | . | . | G | 310 helix | trans | -68.7 | -13.4 | -177.8 | 52.3 | 0 | 0 | 0 | 0 | 114.4 | A510 L514 V515 | A510-T512 PolarHBondContact O-N 2.78Å; A510-T512 VanDerWaalsContact O-N 3.16Å; T512-L514 PolarHBondContact O-N 3.25Å; T512-V515 WeakPolarHBondContact O-CB 3.23Å; T512-V515 VanDerWaalsContact O-CG2 3.27Å; T512-V515 WeakPolarHBondContact O-CG2 3.45Å; T512-V515 PolarHBondContact O-N 2.92Å; T512-V515 VanDerWaalsContact O-N 3.15Å |
| 513 | E | 93.6 | Very high | 95.4 | Very high | 100 Ų | 100 | 41.6 Ų | 41.6 | 47% | 0.467 | 23% | 0.226 | S | C | . | . | G | 310 helix | trans | -65.8 | -15.3 | 174.6 | -62 | -61.1 | 135.5 | 0 | 0 | 112.3 | L477 A510 C511 P516 | L477-E513 HydrophobicContact CD2-CB 4.4Å; A510-E513 HydrophobicContact CB-CB 4.42Å; A510-E513 WeakPolarHBondContact O-CB 3.32Å; A510-E513 WeakPolarHBondContact O-CG 3.27Å; A510-E513 PolarHBondContact O-N 3.37Å; C511-E513 PolarHBondContact O-N 2.83Å; E513-P516 VanDerWaalsContact O-CD 3.3Å; E513-P516 WeakPolarHBondContact O-CD 3.23Å |
| 514 | L | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 23% | 0.23 | C | C | . | . | G | 310 helix | trans | -82.3 | -17.7 | 174.7 | -62.7 | -176.5 | 0 | 0 | 0 | 114.4 | M481 E507 A510 C511 T512 P516 Y517 L518 I521 L547 V551 | M481-L514 HydrophobicContact SD-CD2 4.3Å; E507-L514 HydrophobicContact CB-CD1 4Å; E507-L514 HydrophobicContact CG-CD1 3.61Å; A510-L514 HydrophobicContact CB-CD1 4.12Å; A510-L514 HydrophobicContact CB-CD2 3.73Å; A510-L514 HydrophobicContact CB-CG 3.6Å; C511-L514 PolarHBondContact O-N 2.66Å; T512-L514 PolarHBondContact O-N 3.25Å; L514-P516 VanDerWaalsContact C-N 3.31Å; L514-Y517 WeakPolarHBondContact O-CA 3.35Å; L514-Y517 PolarHBondContact O-N 2.9Å; L514-L518 PolarHBondContact O-N 3.2Å; L514-I521 HydrophobicContact CB-CD1 4.05Å; L514-I521 HydrophobicContact CD1-CD1 4.42Å; L514-I521 HydrophobicContact CD2-CD1 4.3Å; L514-L547 HydrophobicContact CD1-CD1 4.37Å; L514-V551 HydrophobicContact CB-CG1 4.34Å |
| 515 | V | 97.3 | Very high | 95.6 | Very high | 38 Ų | 38 | 41.6 Ų | 41.6 | 23% | 0.23 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -51.2 | -41.3 | -177.3 | 173.4 | 0 | 0 | 0 | 0 | 113.2 | T512 Y517 L518 V551 H554 | T512-V515 WeakPolarHBondContact O-CB 3.23Å; T512-V515 VanDerWaalsContact O-CG2 3.27Å; T512-V515 WeakPolarHBondContact O-CG2 3.45Å; T512-V515 PolarHBondContact O-N 2.92Å; T512-V515 VanDerWaalsContact O-N 3.15Å; V515-Y517 PolarHBondContact O-N 3.18Å; V515-Y517 VanDerWaalsContact O-N 3.14Å; V515-L518 WeakPolarHBondContact O-CB 3.22Å; V515-L518 PolarHBondContact O-N 3.25Å; V515-V551 HydrophobicContact CG2-CB 4.19Å; V515-V551 HydrophobicContact CG2-CG1 4.17Å; V515-H554 HydrophobicContact CG1-CB 4.11Å; V515-H554 HydrophobicContact CG2-CB 3.82Å |
| 516 | P | 97.6 | Very high | 95.9 | Very high | 99 Ų | 99 | 41.2 Ų | 41.2 | 64% | 0.643 | 22% | 0.222 | S | C | * | . | G | 310 helix | trans | -62 | -19.8 | 177 | -23.4 | 35.7 | 0 | 0 | 0 | 114.8 | E513 L514 | E513-P516 VanDerWaalsContact O-CD 3.3Å; E513-P516 WeakPolarHBondContact O-CD 3.23Å; L514-P516 VanDerWaalsContact C-N 3.31Å |
| 517 | Y | 97.8 | Very high | 96 | Very high | 47 Ų | 47 | 47.2 Ų | 47.2 | 18% | 0.184 | 25% | 0.248 | C | C | . | . | G | 310 helix | trans | -110.7 | 0.8 | -175 | -48.4 | -69.3 | 0 | 0 | 0 | 113 | K478 M481 L514 V515 S519 F520 I521 | K478-Y517 HydrophobicContact CD-CE1 4.19Å; K478-Y517 HydrophobicContact CG-CE1 4.3Å; M481-Y517 HydrophobicContact CE-CD1 3.76Å; M481-Y517 HydrophobicContact CE-CD2 4Å; M481-Y517 HydrophobicContact CE-CE1 4.36Å; M481-Y517 HydrophobicContact CE-CG 3.55Å; M481-Y517 HydrophobicContact SD-CD2 3.8Å; M481-Y517 HydrophobicContact SD-CG 3.73Å; L514-Y517 WeakPolarHBondContact O-CA 3.35Å; L514-Y517 PolarHBondContact O-N 2.9Å; V515-Y517 PolarHBondContact O-N 3.18Å; V515-Y517 VanDerWaalsContact O-N 3.14Å; Y517-S519 VanDerWaalsContact C-N 3.34Å; Y517-S519 PolarHBondContact O-N 3.15Å; Y517-F520 WeakPolarHBondContact O-CB 3.32Å; Y517-F520 PolarHBondContact O-N 3.16Å; Y517-I521 PolarHBondContact O-N 2.82Å; Y517-I521 VanDerWaalsContact O-N 3.1Å |
| 518 | L | 96.9 | Very high | 96.2 | Very high | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -54.8 | -41.3 | -168 | -172 | 55.5 | 0 | 0 | 0 | 114.2 | L514 V515 F520 I521 L522 L547 V551 L555 Y560 | L514-L518 PolarHBondContact O-N 3.2Å; V515-L518 WeakPolarHBondContact O-CB 3.22Å; V515-L518 PolarHBondContact O-N 3.25Å; L518-F520 VanDerWaalsContact C-N 3.3Å; L518-F520 PolarHBondContact O-N 3.08Å; L518-I521 PolarHBondContact O-N 3.46Å; L518-L522 HydrophobicContact CD1-CD1 4.22Å; L518-L522 HydrophobicContact CD1-CG 4.11Å; L518-L522 HydrophobicContact CG-CD1 4.04Å; L518-L522 HydrophobicContact CG-CG 4.39Å; L518-L522 WeakPolarHBondContact O-CB 3.37Å; L518-L522 VanDerWaalsContact O-CG 3.29Å; L518-L522 WeakPolarHBondContact O-CG 3.43Å; L518-L522 PolarHBondContact O-N 3.13Å; L518-L547 HydrophobicContact CD1-CD1 4.03Å; L518-L547 HydrophobicContact CD1-CD2 4.02Å; L518-L547 HydrophobicContact CD1-CG 4.24Å; L518-V551 HydrophobicContact CD1-CG1 4.33Å; L518-V551 HydrophobicContact CD1-CG2 4.26Å; L518-V551 HydrophobicContact CD2-CG2 4.14Å; L518-L555 HydrophobicContact CD1-CD1 4.37Å; L518-L555 HydrophobicContact CD2-CD1 4.23Å; L518-Y560 HydrophobicContact CB-CE2 4.42Å; L518-Y560 HydrophobicContact CD2-CD2 3.76Å; L518-Y560 HydrophobicContact CD2-CE2 3.54Å; L518-Y560 HydrophobicContact CG-CD2 4.26Å; L518-Y560 HydrophobicContact CG-CE2 4.03Å |
| 519 | S | 97.3 | Very high | 96.5 | Very high | 32 Ų | 32 | 43.2 Ų | 43.2 | 22% | 0.224 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.2 | -37.7 | 178 | -163.8 | 0 | 0 | 0 | 0 | 112.4 | Y517 D523 E559 K563 | Y517-S519 VanDerWaalsContact C-N 3.34Å; Y517-S519 PolarHBondContact O-N 3.15Å; S519-D523 WeakPolarHBondContact O-CB 3.49Å; S519-D523 VanDerWaalsContact O-CG 3.23Å; S519-D523 PolarHBondContact O-N 2.78Å; S519-E559 PolarHBondContact OG-OE1 3.33Å; S519-K563 PolarHBondContact OG-NZ 3.36Å |
| 520 | F | 98.2 | Very high | 96.8 | Very high | 96 Ų | 96 | 43.5 Ų | 43.5 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -73.2 | -39.2 | 178.6 | 176.1 | -122 | 0 | 0 | 0 | 112.4 | L485 Y517 L518 T524 | L485-F520 HydrophobicContact CD1-CD1 3.56Å; L485-F520 HydrophobicContact CD1-CE1 3.36Å; L485-F520 HydrophobicContact CD1-CZ 4.16Å; Y517-F520 WeakPolarHBondContact O-CB 3.32Å; Y517-F520 PolarHBondContact O-N 3.16Å; L518-F520 VanDerWaalsContact C-N 3.3Å; L518-F520 PolarHBondContact O-N 3.08Å; F520-T524 PolarHBondContact O-N 3.5Å; F520-T524 PolarHBondContact O-OG1 3.41Å |
| 521 | I | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.4 | -52.8 | 173.9 | -63.8 | 167.8 | 0 | 0 | 0 | 109.3 | M481 L485 F503 L514 Y517 L518 D523 T524 L525 L547 | M481-I521 HydrophobicContact SD-CD1 4.1Å; M481-I521 HydrophobicContact SD-CG1 4.26Å; L485-I521 HydrophobicContact CD1-CG1 4.08Å; L485-I521 HydrophobicContact CD2-CG2 4.42Å; F503-I521 HydrophobicContact CE1-CG2 3.65Å; F503-I521 HydrophobicContact CZ-CD1 4.13Å; F503-I521 HydrophobicContact CZ-CG1 4.01Å; F503-I521 HydrophobicContact CZ-CG2 3.82Å; L514-I521 HydrophobicContact CB-CD1 4.05Å; L514-I521 HydrophobicContact CD1-CD1 4.42Å; L514-I521 HydrophobicContact CD2-CD1 4.3Å; Y517-I521 PolarHBondContact O-N 2.82Å; Y517-I521 VanDerWaalsContact O-N 3.1Å; L518-I521 PolarHBondContact O-N 3.46Å; I521-D523 VanDerWaalsContact C-N 3.35Å; I521-D523 PolarHBondContact O-N 2.86Å; I521-T524 WeakPolarHBondContact O-CB 3.37Å; I521-T524 PolarHBondContact O-N 3.11Å; I521-L525 HydrophobicContact CG2-CD1 3.96Å; I521-L525 HydrophobicContact CG2-CG 4.3Å; I521-L525 PolarHBondContact O-N 3.32Å; I521-L547 HydrophobicContact CG2-CD1 4.36Å; I521-L547 HydrophobicContact CG2-CD2 3.76Å |
| 522 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -40 | -179.8 | -71.3 | 174.6 | 0 | 0 | 0 | 112.9 | L518 T524 L525 V526 L547 L555 Y560 L564 | L518-L522 HydrophobicContact CD1-CD1 4.22Å; L518-L522 HydrophobicContact CD1-CG 4.11Å; L518-L522 HydrophobicContact CG-CD1 4.04Å; L518-L522 HydrophobicContact CG-CG 4.39Å; L518-L522 WeakPolarHBondContact O-CB 3.37Å; L518-L522 VanDerWaalsContact O-CG 3.29Å; L518-L522 WeakPolarHBondContact O-CG 3.43Å; L518-L522 PolarHBondContact O-N 3.13Å; L522-T524 PolarHBondContact O-N 3.4Å; L522-L525 PolarHBondContact O-N 3.36Å; L522-V526 WeakPolarHBondContact O-CB 3.42Å; L522-V526 WeakPolarHBondContact O-CG2 3.48Å; L522-V526 PolarHBondContact O-N 3.32Å; L522-L547 HydrophobicContact CD2-CD2 3.89Å; L522-L555 HydrophobicContact CD1-CD1 3.93Å; L522-L555 HydrophobicContact CD2-CD1 4.23Å; L522-Y560 HydrophobicContact CD1-CD1 3.7Å; L522-Y560 HydrophobicContact CD1-CD2 4.34Å; L522-Y560 HydrophobicContact CD1-CG 3.59Å; L522-L564 HydrophobicContact CD2-CD2 4.48Å |
| 523 | D | 98.4 | Very high | 97.2 | Very high | 80 Ų | 80 | 42 Ų | 42 | 43% | 0.428 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -59.2 | -35.3 | 175.8 | -77.5 | -19.3 | 0 | 0 | 0 | 111.9 | S519 I521 F527 K563 | S519-D523 WeakPolarHBondContact O-CB 3.49Å; S519-D523 VanDerWaalsContact O-CG 3.23Å; S519-D523 PolarHBondContact O-N 2.78Å; I521-D523 VanDerWaalsContact C-N 3.35Å; I521-D523 PolarHBondContact O-N 2.86Å; D523-F527 WeakPolarHBondContact O-CB 3.14Å; D523-F527 PolarHBondContact O-N 3.23Å; D523-K563 VanDerWaalsContact CG-NZ 3.34Å; D523-K563 WeakPolarHBondContact OD1-CD 3.49Å; D523-K563 VanDerWaalsContact OD1-CE 3.3Å; D523-K563 WeakPolarHBondContact OD1-CE 3.49Å; D523-K563 IonicContact OD1-NZ 2.86Å; D523-K563 PolarHBondContact OD1-NZ 2.99Å; D523-K563 IonicContact OD2-NZ 2.92Å; D523-K563 PolarHBondContact OD2-NZ 2.9Å |
| 524 | T | 98.7 | Very high | 97 | Very high | 13 Ų | 13 | 40.4 Ų | 40.4 | 8% | 0.08 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73 | -51.2 | 178.1 | -54.3 | 0 | 0 | 0 | 0 | 111.3 | L485 I488 L489 F520 I521 L522 V526 F527 A528 | L485-T524 HydrophobicContact CB-CG2 4.03Å; L485-T524 HydrophobicContact CD2-CG2 3.98Å; L485-T524 VanDerWaalsContact O-CG2 3.28Å; L485-T524 WeakPolarHBondContact O-CG2 3.45Å; I488-T524 HydrophobicContact CB-CG2 4.38Å; I488-T524 HydrophobicContact CG2-CG2 4.19Å; L489-T524 HydrophobicContact CD1-CG2 3.95Å; L489-T524 HydrophobicContact CD2-CG2 4.32Å; L489-T524 HydrophobicContact CG-CG2 3.88Å; F520-T524 PolarHBondContact O-N 3.5Å; F520-T524 PolarHBondContact O-OG1 3.41Å; I521-T524 WeakPolarHBondContact O-CB 3.37Å; I521-T524 PolarHBondContact O-N 3.11Å; L522-T524 PolarHBondContact O-N 3.4Å; T524-V526 VanDerWaalsContact C-N 3.35Å; T524-V526 PolarHBondContact O-N 2.83Å; T524-F527 WeakPolarHBondContact O-CB 3.39Å; T524-F527 PolarHBondContact O-N 3.33Å; T524-A528 PolarHBondContact O-N 3.03Å |
| 525 | L | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | -179.8 | -60.7 | -179 | 0 | 0 | 0 | 111.6 | I488 I521 L522 F527 A528 F529 L540 I544 L547 | I488-L525 HydrophobicContact CD1-CD2 3.93Å; I488-L525 HydrophobicContact CG2-CD2 4.46Å; I521-L525 HydrophobicContact CG2-CD1 3.96Å; I521-L525 HydrophobicContact CG2-CG 4.3Å; I521-L525 PolarHBondContact O-N 3.32Å; L522-L525 PolarHBondContact O-N 3.36Å; L525-F527 VanDerWaalsContact C-N 3.31Å; L525-F527 PolarHBondContact O-N 2.74Å; L525-A528 WeakPolarHBondContact O-CB 3.24Å; L525-A528 PolarHBondContact O-N 3.34Å; L525-A528 VanDerWaalsContact O-N 3.15Å; L525-F529 WeakPolarHBondContact O-CD2 3.33Å; L525-L540 HydrophobicContact CB-CD1 4.18Å; L525-L540 HydrophobicContact CD2-CD1 3.83Å; L525-I544 HydrophobicContact CB-CG1 4.34Å; L525-I544 HydrophobicContact CD1-CG1 4.01Å; L525-L547 HydrophobicContact CD1-CD2 3.79Å |
| 526 | V | 98.1 | Very high | 96.4 | Very high | 39 Ų | 39 | 40.2 Ų | 40.2 | 24% | 0.236 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64 | -37.7 | 175.8 | 170.7 | 0 | 0 | 0 | 0 | 111.4 | L522 T524 A528 K563 L564 P567 | L522-V526 WeakPolarHBondContact O-CB 3.42Å; L522-V526 WeakPolarHBondContact O-CG2 3.48Å; L522-V526 PolarHBondContact O-N 3.32Å; T524-V526 VanDerWaalsContact C-N 3.35Å; T524-V526 PolarHBondContact O-N 2.83Å; V526-A528 VanDerWaalsContact C-N 3.33Å; V526-K563 HydrophobicContact CG2-CB 4.36Å; V526-L564 HydrophobicContact CG2-CD1 4.4Å; V526-P567 HydrophobicContact CG1-CG 4.38Å |
| 527 | F | 98.3 | Very high | 96.2 | Very high | 126 Ų | 126 | 36.2 Ų | 36.2 | 55% | 0.553 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -66.5 | -35.8 | 174.7 | -172.5 | -85 | 0 | 0 | 0 | 112 | L489 D523 T524 L525 F529 G530 K531 | L489-F527 HydrophobicContact CD1-CD1 3.79Å; L489-F527 HydrophobicContact CD1-CE1 4.37Å; L489-F527 HydrophobicContact CD1-CG 4.4Å; L489-F527 HydrophobicContact CD2-CD1 3.75Å; L489-F527 HydrophobicContact CD2-CE1 4.5Å; L489-F527 HydrophobicContact CG-CD1 4.39Å; D523-F527 WeakPolarHBondContact O-CB 3.14Å; D523-F527 PolarHBondContact O-N 3.23Å; T524-F527 WeakPolarHBondContact O-CB 3.39Å; T524-F527 PolarHBondContact O-N 3.33Å; L525-F527 VanDerWaalsContact C-N 3.31Å; L525-F527 PolarHBondContact O-N 2.74Å; F527-F529 VanDerWaalsContact C-N 3.25Å; F527-F529 PolarHBondContact O-N 3.17Å; F527-G530 PolarHBondContact O-N 2.88Å; F527-K531 HydrophobicContact CE1-CB 4.49Å; F527-K531 HydrophobicContact CE1-CD 4.31Å |
| 528 | A | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.4 | -32.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | I488 L489 T524 L525 V526 G530 K531 Y532 L540 | I488-A528 HydrophobicContact CG2-CB 4.23Å; L489-A528 HydrophobicContact CD2-CB 4.01Å; T524-A528 PolarHBondContact O-N 3.03Å; L525-A528 WeakPolarHBondContact O-CB 3.24Å; L525-A528 PolarHBondContact O-N 3.34Å; L525-A528 VanDerWaalsContact O-N 3.15Å; V526-A528 VanDerWaalsContact C-N 3.33Å; A528-G530 PolarHBondContact O-N 2.99Å; A528-G530 VanDerWaalsContact O-N 3.12Å; A528-K531 PolarHBondContact O-N 2.7Å; A528-Y532 HydrophobicContact CB-CD1 4.1Å; A528-Y532 HydrophobicContact CB-CD2 4.35Å; A528-Y532 HydrophobicContact CB-CE1 3.98Å; A528-Y532 HydrophobicContact CB-CE2 4.27Å; A528-Y532 HydrophobicContact CB-CG 4.31Å; A528-Y532 WeakPolarHBondContact O-CB 3.4Å; A528-Y532 PolarHBondContact O-N 3.41Å; A528-L540 HydrophobicContact CB-CD1 3.97Å; A528-L540 HydrophobicContact CB-CD2 3.73Å |
| 529 | F | 96.6 | Very high | 95.6 | Very high | 26 Ų | 26 | 35.9 Ų | 35.9 | 11% | 0.114 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -32.5 | 173 | -80.3 | -80 | 0 | 0 | 0 | 114.3 | L525 F527 L537 L540 Y541 I544 P567 L568 | L525-F529 WeakPolarHBondContact O-CD2 3.33Å; F527-F529 VanDerWaalsContact C-N 3.25Å; F527-F529 PolarHBondContact O-N 3.17Å; F529-L537 HydrophobicContact CD1-CD1 3.63Å; F529-L537 HydrophobicContact CE1-CD1 3.91Å; F529-L540 HydrophobicContact CD1-CD2 4.15Å; F529-L540 HydrophobicContact CD2-CD2 3.91Å; F529-L540 HydrophobicContact CE1-CD2 4.27Å; F529-L540 HydrophobicContact CE2-CD2 4.08Å; F529-L540 HydrophobicContact CG-CD2 3.96Å; F529-L540 HydrophobicContact CZ-CD2 4.24Å; F529-Y541 HydrophobicContact CE1-CD1 4.23Å; F529-Y541 AromaticContact CE1-CE1 3.66Å; F529-Y541 HydrophobicContact CE1-CE1 3.66Å; F529-Y541 HydrophobicContact CZ-CD1 4.41Å; F529-Y541 HydrophobicContact CZ-CE1 4.24Å; F529-I544 HydrophobicContact CE2-CD1 3.38Å; F529-I544 HydrophobicContact CZ-CD1 3.45Å; F529-I544 VanDerWaalsContact CZ-CD1 3.45Å; F529-P567 HydrophobicContact CB-CB 4.13Å; F529-P567 HydrophobicContact CD1-CB 4.02Å; F529-P567 HydrophobicContact CD2-CB 3.73Å; F529-P567 HydrophobicContact CD2-CG 3.94Å; F529-P567 HydrophobicContact CE1-CB 4.37Å; F529-P567 HydrophobicContact CE2-CB 4.06Å; F529-P567 HydrophobicContact CE2-CG 4.02Å; F529-P567 HydrophobicContact CG-CB 3.69Å; F529-P567 HydrophobicContact CG-CG 4.42Å; F529-P567 HydrophobicContact CZ-CB 4.39Å; F529-L568 HydrophobicContact CE1-CD2 4.32Å; F529-L568 HydrophobicContact CZ-CD2 3.76Å; F529-L568 HydrophobicContact CZ-CG 4.27Å |
| 530 | G | 95.1 | Very high | 95.6 | Very high | 79 Ų | 79 | 34.4 Ų | 34.4 | 81% | 0.814 | 18% | 0.184 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -6.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F527 A528 | F527-G530 PolarHBondContact O-N 2.88Å; A528-G530 PolarHBondContact O-N 2.99Å; A528-G530 VanDerWaalsContact O-N 3.12Å |
| 531 | K | 96 | Very high | 95.5 | Very high | 40 Ų | 40 | 30 Ų | 30 | 17% | 0.174 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115 | -38.4 | -173 | -173.6 | -177.1 | 173 | 113.5 | 0 | 112.2 | E324 L489 D490 F527 A528 | E324-K531 IonicContact OE1-NZ 3.52Å; E324-K531 WeakPolarHBondContact OE2-CE 3.45Å; E324-K531 IonicContact OE2-NZ 2.88Å; E324-K531 PolarHBondContact OE2-NZ 2.73Å; L489-K531 HydrophobicContact CB-CD 4.35Å; L489-K531 HydrophobicContact CD2-CD 4.13Å; L489-K531 WeakPolarHBondContact O-CE 3.36Å; L489-K531 PolarHBondContact O-NZ 3Å; D490-K531 WeakPolarHBondContact O-CE 3.12Å; F527-K531 HydrophobicContact CE1-CB 4.49Å; F527-K531 HydrophobicContact CE1-CD 4.31Å; A528-K531 PolarHBondContact O-N 2.7Å |
| 532 | Y | 96.5 | Very high | 95 | Very high | 15 Ų | 15 | 32 Ų | 32 | 6% | 0.059 | 18% | 0.176 | C | C | . | . | trans | -70 | 140.4 | -175 | -78.4 | 12 | 0 | 0 | 0 | 111.7 | I488 Q496 A528 N536 L540 | I488-Y532 WeakPolarHBondContact CG2-OH 3.43Å; I488-Y532 WeakPolarHBondContact O-CE1 3.29Å; I488-Y532 PolarHBondContact O-OH 3.2Å; Q496-Y532 HydrophobicContact CB-CE1 3.77Å; Q496-Y532 HydrophobicContact CG-CD1 4.49Å; Q496-Y532 HydrophobicContact CG-CE1 3.76Å; Q496-Y532 PolarHBondContact O-OH 3.16Å; A528-Y532 HydrophobicContact CB-CD1 4.1Å; A528-Y532 HydrophobicContact CB-CD2 4.35Å; A528-Y532 HydrophobicContact CB-CE1 3.98Å; A528-Y532 HydrophobicContact CB-CE2 4.27Å; A528-Y532 HydrophobicContact CB-CG 4.31Å; A528-Y532 WeakPolarHBondContact O-CB 3.4Å; A528-Y532 PolarHBondContact O-N 3.41Å; Y532-N536 HydrophobicContact CD1-CB 4.46Å; Y532-N536 VanDerWaalsContact CD2-C 3.42Å; Y532-N536 HydrophobicContact CD2-CB 3.59Å; Y532-N536 WeakPolarHBondContact CD2-O 3.45Å; Y532-N536 HydrophobicContact CE2-CB 3.91Å; Y532-N536 WeakPolarHBondContact CE2-O 3.24Å; Y532-N536 HydrophobicContact CG-CB 3.86Å; Y532-L540 HydrophobicContact CD2-CB 3.82Å; Y532-L540 HydrophobicContact CD2-CD2 4.06Å; Y532-L540 HydrophobicContact CD2-CG 4.43Å; Y532-L540 HydrophobicContact CE2-CB 3.9Å; Y532-L540 HydrophobicContact CE2-CD1 4.39Å; Y532-L540 HydrophobicContact CE2-CD2 4.48Å; Y532-L540 HydrophobicContact CE2-CG 4.49Å | ||
| 533 | Q | 94.3 | Very high | 94.9 | Very high | 50 Ų | 50 | 32 Ų | 32 | 23% | 0.234 | 18% | 0.176 | C | C | . | . | trans | -82.7 | 179 | 164.7 | -57.8 | -57.2 | -40.9 | 0 | 0 | 109.5 | E324 D328 K493 K535 N536 L537 | E324-Q533 WeakPolarHBondContact O-CG 3.33Å; E324-Q533 PolarHBondContact O-NE2 2.99Å; D328-Q533 WeakPolarHBondContact OD2-CB 3.27Å; K493-Q533 HydrophobicContact CD-CB 4.29Å; K493-Q533 HydrophobicContact CD-CG 4.03Å; Q533-K535 PolarHBondContact O-N 2.85Å; Q533-N536 PolarHBondContact O-N 3.36Å; Q533-L537 WeakPolarHBondContact O-CB 3.41Å; Q533-L537 PolarHBondContact O-N 3.41Å | ||
| 534 | H | 90.1 | Very high | 94.9 | Very high | 67 Ų | 67 | 28.3 Ų | 28.3 | 31% | 0.31 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -50.8 | -55.4 | -172.7 | -167.4 | 156.5 | 0 | 0 | 0 | 112.8 | D328 I333 N536 L537 L538 D581 | D328-H534 HydrophobicContact CB-CB 4.43Å; D328-H534 PolarHBondContact OD2-N 3.32Å; I333-H534 HydrophobicContact CD1-CB 4.09Å; I333-H534 VanDerWaalsContact CD1-ND1 3.29Å; I333-H534 WeakPolarHBondContact CD1-ND1 3.35Å; H534-N536 PolarHBondContact O-N 3.18Å; H534-L537 WeakPolarHBondContact O-CB 3.48Å; H534-L537 PolarHBondContact O-N 3.24Å; H534-L537 VanDerWaalsContact O-N 3.16Å; H534-L538 PolarHBondContact O-N 3.11Å; H534-D581 IonicContact CD2-OD1 3.25Å; H534-D581 IonicContact CD2-OD2 3.09Å; H534-D581 IonicContact CE1-OD1 3.54Å; H534-D581 IonicContact CE1-OD2 2.64Å; H534-D581 PolarHBondContact CE1-OD2 3.24Å; H534-D581 IonicContact NE2-OD1 2.66Å; H534-D581 PolarHBondContact NE2-OD1 3.38Å; H534-D581 IonicContact NE2-OD2 3.54Å; H534-D581 PolarHBondContact NE2-OD2 3.03Å |
| 535 | K | 88.5 | Confident | 94.7 | Very high | 34 Ų | 34 | 27.9 Ų | 27.9 | 15% | 0.148 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -55.6 | -50.9 | -174.6 | -172.4 | -170.1 | 178.4 | -158.1 | 0 | 111.3 | D328 D367 E497 Q533 L537 L538 | D328-K535 PolarHBondContact OD2-N 3.34Å; D367-K535 IonicContact OD1-NZ 3.76Å; D367-K535 PolarHBondContact OD1-NZ 2.9Å; E497-K535 WeakPolarHBondContact OE1-CE 3.46Å; E497-K535 IonicContact OE1-NZ 3.34Å; E497-K535 PolarHBondContact OE1-NZ 2.95Å; E497-K535 IonicContact OE2-NZ 2.71Å; E497-K535 PolarHBondContact OE2-NZ 2.93Å; Q533-K535 PolarHBondContact O-N 2.85Å; K535-L537 VanDerWaalsContact C-N 3.33Å; K535-L537 PolarHBondContact O-N 3.2Å; K535-L538 PolarHBondContact O-N 3.32Å |
| 536 | N | 92.2 | Very high | 94.5 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -74.5 | -24.6 | -175.9 | -67.4 | -2.1 | 0 | 0 | 0 | 112.9 | K493 Q496 Y532 Q533 H534 L538 I539 L540 | K493-N536 PolarHBondContact O-ND2 3.05Å; Q496-N536 WeakPolarHBondContact CB-ND2 3.2Å; Q496-N536 PolarHBondContact OE1-ND2 3.08Å; Y532-N536 HydrophobicContact CD1-CB 4.46Å; Y532-N536 VanDerWaalsContact CD2-C 3.42Å; Y532-N536 HydrophobicContact CD2-CB 3.59Å; Y532-N536 WeakPolarHBondContact CD2-O 3.45Å; Y532-N536 HydrophobicContact CE2-CB 3.91Å; Y532-N536 WeakPolarHBondContact CE2-O 3.24Å; Y532-N536 HydrophobicContact CG-CB 3.86Å; Q533-N536 PolarHBondContact O-N 3.36Å; H534-N536 PolarHBondContact O-N 3.18Å; N536-L538 PolarHBondContact O-N 3.08Å; N536-I539 PolarHBondContact O-N 3.38Å; N536-L540 PolarHBondContact O-N 2.86Å |
| 537 | L | 94.7 | Very high | 94.4 | Very high | 14 Ų | 14 | 27.3 Ų | 27.3 | 7% | 0.073 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.7 | -32.4 | 175 | -176.4 | 64.3 | 0 | 0 | 0 | 111.7 | F529 Q533 H534 K535 L540 Y541 K571 | F529-L537 HydrophobicContact CD1-CD1 3.63Å; F529-L537 HydrophobicContact CE1-CD1 3.91Å; Q533-L537 WeakPolarHBondContact O-CB 3.41Å; Q533-L537 PolarHBondContact O-N 3.41Å; H534-L537 WeakPolarHBondContact O-CB 3.48Å; H534-L537 PolarHBondContact O-N 3.24Å; H534-L537 VanDerWaalsContact O-N 3.16Å; K535-L537 VanDerWaalsContact C-N 3.33Å; K535-L537 PolarHBondContact O-N 3.2Å; L537-L540 HydrophobicContact CD1-CD2 4.1Å; L537-L540 WeakPolarHBondContact O-CB 3.48Å; L537-L540 PolarHBondContact O-N 3.14Å; L537-Y541 HydrophobicContact CD1-CE1 4.41Å; L537-Y541 HydrophobicContact CD2-CE2 4.45Å; L537-Y541 HydrophobicContact CG-CE2 3.93Å; L537-Y541 VanDerWaalsContact O-CD2 3.24Å; L537-Y541 WeakPolarHBondContact O-CD2 3.48Å; L537-Y541 PolarHBondContact O-N 3.14Å; L537-K571 HydrophobicContact CD2-CD 3.86Å |
| 538 | L | 91.1 | Very high | 94.4 | Very high | 18 Ų | 18 | 21.3 Ų | 21.3 | 9% | 0.094 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.2 | -48.1 | 175.7 | -52.3 | -177.2 | 0 | 0 | 0 | 110.8 | H534 K535 N536 L540 Y541 D542 D581 P584 | H534-L538 PolarHBondContact O-N 3.11Å; K535-L538 PolarHBondContact O-N 3.32Å; N536-L538 PolarHBondContact O-N 3.08Å; L538-L540 PolarHBondContact O-N 3.32Å; L538-Y541 HydrophobicContact CD2-CE2 4.36Å; L538-Y541 WeakPolarHBondContact O-CB 3.49Å; L538-Y541 PolarHBondContact O-N 3.44Å; L538-Y541 VanDerWaalsContact O-N 3.11Å; L538-D542 PolarHBondContact O-N 3.47Å; L538-D581 HydrophobicContact CD2-CB 4.31Å; L538-P584 HydrophobicContact CB-CG 4.24Å; L538-P584 HydrophobicContact CD2-CG 3.77Å; L538-P584 HydrophobicContact CG-CG 4.49Å |
| 539 | I | 90.9 | Very high | 94.1 | Very high | 24 Ų | 24 | 25.9 Ų | 25.9 | 12% | 0.123 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -64.3 | -31.5 | 177.5 | -56.8 | 160.7 | 0 | 0 | 0 | 111.5 | E497 C500 N536 Y541 D542 A543 | E497-I539 HydrophobicContact CB-CD1 3.86Å; E497-I539 HydrophobicContact CG-CD1 3.58Å; C500-I539 HydrophobicContact CB-CG2 3.79Å; N536-I539 PolarHBondContact O-N 3.38Å; I539-Y541 VanDerWaalsContact C-N 3.32Å; I539-Y541 PolarHBondContact O-N 2.91Å; I539-D542 PolarHBondContact O-N 2.7Å; I539-A543 PolarHBondContact O-N 2.97Å |
| 540 | L | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.3 | -36 | 175.6 | -177.8 | 62.7 | 0 | 0 | 0 | 112.2 | L525 A528 F529 Y532 N536 L537 L538 D542 I544 | L525-L540 HydrophobicContact CB-CD1 4.18Å; L525-L540 HydrophobicContact CD2-CD1 3.83Å; A528-L540 HydrophobicContact CB-CD1 3.97Å; A528-L540 HydrophobicContact CB-CD2 3.73Å; F529-L540 HydrophobicContact CD1-CD2 4.15Å; F529-L540 HydrophobicContact CD2-CD2 3.91Å; F529-L540 HydrophobicContact CE1-CD2 4.27Å; F529-L540 HydrophobicContact CE2-CD2 4.08Å; F529-L540 HydrophobicContact CG-CD2 3.96Å; F529-L540 HydrophobicContact CZ-CD2 4.24Å; Y532-L540 HydrophobicContact CD2-CB 3.82Å; Y532-L540 HydrophobicContact CD2-CD2 4.06Å; Y532-L540 HydrophobicContact CD2-CG 4.43Å; Y532-L540 HydrophobicContact CE2-CB 3.9Å; Y532-L540 HydrophobicContact CE2-CD1 4.39Å; Y532-L540 HydrophobicContact CE2-CD2 4.48Å; Y532-L540 HydrophobicContact CE2-CG 4.49Å; N536-L540 PolarHBondContact O-N 2.86Å; L537-L540 HydrophobicContact CD1-CD2 4.1Å; L537-L540 WeakPolarHBondContact O-CB 3.48Å; L537-L540 PolarHBondContact O-N 3.14Å; L538-L540 PolarHBondContact O-N 3.32Å; L540-D542 VanDerWaalsContact C-N 3.33Å; L540-I544 HydrophobicContact CD1-CD1 4.27Å; L540-I544 HydrophobicContact CG-CD1 4.02Å; L540-I544 WeakPolarHBondContact O-CD1 3.34Å; L540-I544 VanDerWaalsContact O-CG1 3.27Å; L540-I544 WeakPolarHBondContact O-CG1 3.26Å; L540-I544 PolarHBondContact O-N 3.46Å; L540-I544 VanDerWaalsContact O-N 3.08Å |
| 541 | Y | 95.7 | Very high | 93.9 | Very high | 4 Ų | 4 | 21.8 Ų | 21.8 | 2% | 0.016 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 174.3 | -61.9 | -51.1 | 0 | 0 | 0 | 110.8 | F529 L537 L538 I539 I544 G545 L568 K571 P584 L585 C588 | F529-Y541 HydrophobicContact CE1-CD1 4.23Å; F529-Y541 AromaticContact CE1-CE1 3.66Å; F529-Y541 HydrophobicContact CE1-CE1 3.66Å; F529-Y541 HydrophobicContact CZ-CD1 4.41Å; F529-Y541 HydrophobicContact CZ-CE1 4.24Å; L537-Y541 HydrophobicContact CD1-CE1 4.41Å; L537-Y541 HydrophobicContact CD2-CE2 4.45Å; L537-Y541 HydrophobicContact CG-CE2 3.93Å; L537-Y541 VanDerWaalsContact O-CD2 3.24Å; L537-Y541 WeakPolarHBondContact O-CD2 3.48Å; L537-Y541 PolarHBondContact O-N 3.14Å; L538-Y541 HydrophobicContact CD2-CE2 4.36Å; L538-Y541 WeakPolarHBondContact O-CB 3.49Å; L538-Y541 PolarHBondContact O-N 3.44Å; L538-Y541 VanDerWaalsContact O-N 3.11Å; I539-Y541 VanDerWaalsContact C-N 3.32Å; I539-Y541 PolarHBondContact O-N 2.91Å; Y541-I544 PolarHBondContact O-N 3.28Å; Y541-G545 PolarHBondContact O-N 3.46Å; Y541-L568 HydrophobicContact CD1-CD2 4.08Å; Y541-L568 HydrophobicContact CE1-CD2 4.15Å; Y541-K571 WeakPolarHBondContact OH-CB 3.39Å; Y541-K571 WeakPolarHBondContact OH-CD 3.47Å; Y541-K571 VanDerWaalsContact OH-CG 3.27Å; Y541-K571 WeakPolarHBondContact OH-CG 3.4Å; Y541-P584 WeakPolarHBondContact CB-O 3.27Å; Y541-P584 HydrophobicContact CD2-CB 4Å; Y541-P584 HydrophobicContact CD2-CG 4.08Å; Y541-L585 HydrophobicContact CD1-CD1 3.96Å; Y541-L585 HydrophobicContact CD2-CB 4.38Å; Y541-L585 HydrophobicContact CE1-CB 4.49Å; Y541-L585 HydrophobicContact CE1-CD1 3.6Å; Y541-L585 HydrophobicContact CE2-CB 4.24Å; Y541-C588 WeakPolarHBondContact O-CB 3.45Å |
| 542 | D | 89.4 | Confident | 93.8 | Very high | 42 Ų | 42 | 20.9 Ų | 20.9 | 23% | 0.225 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.6 | -46.9 | 179.1 | -56.3 | -29.9 | 0 | 0 | 0 | 111.4 | R336 L538 I539 L540 I544 G545 T546 | R336-D542 IonicContact CZ-OD1 2.83Å; R336-D542 IonicContact CZ-OD2 3.85Å; R336-D542 VanDerWaalsContact CZ-OD2 3.28Å; R336-D542 IonicContact NH1-OD1 2.65Å; R336-D542 IonicContact NH1-OD2 3.26Å; R336-D542 PolarHBondContact NH1-OD2 3.18Å; R336-D542 IonicContact NH2-OD1 2.73Å; R336-D542 PolarHBondContact NH2-OD1 2.79Å; R336-D542 IonicContact NH2-OD2 2.85Å; R336-D542 PolarHBondContact NH2-OD2 3.39Å; L538-D542 PolarHBondContact O-N 3.47Å; I539-D542 PolarHBondContact O-N 2.7Å; L540-D542 VanDerWaalsContact C-N 3.33Å; D542-I544 VanDerWaalsContact C-N 3.3Å; D542-I544 PolarHBondContact O-N 2.96Å; D542-G545 PolarHBondContact O-N 3.32Å; D542-G545 VanDerWaalsContact O-N 3.17Å; D542-T546 WeakPolarHBondContact O-CB 3.09Å; D542-T546 PolarHBondContact O-N 2.85Å; D542-T546 PolarHBondContact O-OG1 2.84Å |
| 543 | A | 94.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.1 | -38.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A504 I539 L547 | A504-A543 HydrophobicContact CB-CB 4.44Å; I539-A543 PolarHBondContact O-N 2.97Å; A543-L547 WeakPolarHBondContact O-CB 3.43Å; A543-L547 PolarHBondContact O-N 3.16Å |
| 544 | I | 98.1 | Very high | 93.8 | Very high | 2 Ų | 2 | 26.4 Ų | 26.4 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -68.9 | -39.4 | 176.5 | -68.9 | 165.6 | 0 | 0 | 0 | 111.7 | L525 F529 L540 Y541 D542 A548 L564 C588 V592 | L525-I544 HydrophobicContact CB-CG1 4.34Å; L525-I544 HydrophobicContact CD1-CG1 4.01Å; F529-I544 HydrophobicContact CE2-CD1 3.38Å; F529-I544 HydrophobicContact CZ-CD1 3.45Å; F529-I544 VanDerWaalsContact CZ-CD1 3.45Å; L540-I544 HydrophobicContact CD1-CD1 4.27Å; L540-I544 HydrophobicContact CG-CD1 4.02Å; L540-I544 WeakPolarHBondContact O-CD1 3.34Å; L540-I544 VanDerWaalsContact O-CG1 3.27Å; L540-I544 WeakPolarHBondContact O-CG1 3.26Å; L540-I544 PolarHBondContact O-N 3.46Å; L540-I544 VanDerWaalsContact O-N 3.08Å; Y541-I544 PolarHBondContact O-N 3.28Å; D542-I544 VanDerWaalsContact C-N 3.3Å; D542-I544 PolarHBondContact O-N 2.96Å; I544-A548 WeakPolarHBondContact O-CB 3.42Å; I544-A548 PolarHBondContact O-N 3.31Å; I544-L564 HydrophobicContact CD1-CD1 4.13Å; I544-L564 HydrophobicContact CG1-CD1 4.49Å; I544-L564 HydrophobicContact CG2-CD1 3.89Å; I544-L564 HydrophobicContact CG2-CD2 4.09Å; I544-C588 VanDerWaalsContact CG2-SG 3.57Å; I544-V592 HydrophobicContact CG2-CG2 4Å |
| 545 | G | 95.4 | Very high | 94.2 | Very high | 4 Ų | 4 | 23.4 Ų | 23.4 | 4% | 0.041 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -60.2 | -51.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111 | Y541 D542 L547 A548 D549 S591 | Y541-G545 PolarHBondContact O-N 3.46Å; D542-G545 PolarHBondContact O-N 3.32Å; D542-G545 VanDerWaalsContact O-N 3.17Å; G545-L547 PolarHBondContact O-N 2.75Å; G545-A548 WeakPolarHBondContact O-CA 3.26Å; G545-A548 WeakPolarHBondContact O-CB 3.27Å; G545-A548 PolarHBondContact O-N 2.65Å; G545-D549 PolarHBondContact O-N 2.83Å; G545-S591 WeakPolarHBondContact O-CB 3.36Å |
| 546 | T | 93.5 | Very high | 94.6 | Very high | 25 Ų | 25 | 23.7 Ų | 23.7 | 15% | 0.153 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -57.8 | -45.2 | 178.2 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | A504 E507 E508 D542 A548 D549 S550 | A504-T546 HydrophobicContact CB-CG2 4.37Å; E507-T546 HydrophobicContact CB-CG2 4.02Å; E508-T546 HydrophobicContact CG-CG2 3.52Å; D542-T546 WeakPolarHBondContact O-CB 3.09Å; D542-T546 PolarHBondContact O-N 2.85Å; D542-T546 PolarHBondContact O-OG1 2.84Å; T546-A548 VanDerWaalsContact C-N 3.32Å; T546-A548 PolarHBondContact O-N 2.98Å; T546-D549 PolarHBondContact O-N 3.31Å; T546-S550 VanDerWaalsContact O-CB 3.22Å; T546-S550 WeakPolarHBondContact O-CB 3.43Å; T546-S550 PolarHBondContact O-N 2.9Å; T546-S550 PolarHBondContact O-OG 3.49Å |
| 547 | L | 97.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 28.3 Ų | 28.3 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.3 | -46 | 172.6 | -177.1 | 58.8 | 0 | 0 | 0 | 111.7 | E507 L514 L518 I521 L522 L525 A543 G545 D549 S550 V551 | E507-L547 HydrophobicContact CG-CD1 4.27Å; E507-L547 WeakPolarHBondContact OE1-CB 3.36Å; E507-L547 WeakPolarHBondContact OE1-CD1 3.39Å; E507-L547 PolarHBondContact OE2-N 2.77Å; L514-L547 HydrophobicContact CD1-CD1 4.37Å; L518-L547 HydrophobicContact CD1-CD1 4.03Å; L518-L547 HydrophobicContact CD1-CD2 4.02Å; L518-L547 HydrophobicContact CD1-CG 4.24Å; I521-L547 HydrophobicContact CG2-CD1 4.36Å; I521-L547 HydrophobicContact CG2-CD2 3.76Å; L522-L547 HydrophobicContact CD2-CD2 3.89Å; L525-L547 HydrophobicContact CD1-CD2 3.79Å; A543-L547 WeakPolarHBondContact O-CB 3.43Å; A543-L547 PolarHBondContact O-N 3.16Å; G545-L547 PolarHBondContact O-N 2.75Å; L547-D549 VanDerWaalsContact C-N 3.34Å; L547-D549 PolarHBondContact O-N 2.88Å; L547-S550 PolarHBondContact O-N 2.94Å; L547-V551 HydrophobicContact CD1-CG1 3.94Å; L547-V551 VanDerWaalsContact O-CG2 3.27Å; L547-V551 WeakPolarHBondContact O-CG2 3.44Å; L547-V551 PolarHBondContact O-N 3.29Å |
| 548 | A | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.9 | -41 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | I544 G545 T546 G552 L555 V592 A595 | I544-A548 WeakPolarHBondContact O-CB 3.42Å; I544-A548 PolarHBondContact O-N 3.31Å; G545-A548 WeakPolarHBondContact O-CA 3.26Å; G545-A548 WeakPolarHBondContact O-CB 3.27Å; G545-A548 PolarHBondContact O-N 2.65Å; T546-A548 VanDerWaalsContact C-N 3.32Å; T546-A548 PolarHBondContact O-N 2.98Å; A548-G552 VanDerWaalsContact O-CA 3.25Å; A548-G552 WeakPolarHBondContact O-CA 3.45Å; A548-G552 PolarHBondContact O-N 3.04Å; A548-L555 HydrophobicContact CB-CD2 3.87Å; A548-V592 HydrophobicContact CB-CG2 3.98Å; A548-A595 HydrophobicContact CB-CB 3.94Å; A548-A595 WeakPolarHBondContact O-CB 3.25Å |
| 549 | D | 91.9 | Very high | 95.3 | Very high | 97 Ų | 97 | 35.6 Ų | 35.6 | 52% | 0.519 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -68 | -40.8 | 175.7 | -67.6 | -32.9 | 0 | 0 | 0 | 111.5 | G545 T546 L547 S591 | G545-D549 PolarHBondContact O-N 2.83Å; T546-D549 PolarHBondContact O-N 3.31Å; L547-D549 VanDerWaalsContact C-N 3.34Å; L547-D549 PolarHBondContact O-N 2.88Å; D549-S591 VanDerWaalsContact CG-CB 3.49Å; D549-S591 VanDerWaalsContact CG-OG 3.31Å; D549-S591 WeakPolarHBondContact OD1-CB 3.21Å; D549-S591 PolarHBondContact OD1-OG 3.29Å; D549-S591 VanDerWaalsContact OD2-CB 3.26Å; D549-S591 WeakPolarHBondContact OD2-CB 3.33Å; D549-S591 PolarHBondContact OD2-OG 3.46Å |
| 550 | S | 91.5 | Very high | 95.6 | Very high | 15 Ų | 15 | 36.4 Ų | 36.4 | 11% | 0.105 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.8 | -43.5 | -179.9 | -65.4 | 0 | 0 | 0 | 0 | 114.2 | E507 C511 T546 L547 | E507-S550 VanDerWaalsContact C-OG 3.27Å; E507-S550 PolarHBondContact O-OG 3.22Å; E507-S550 VanDerWaalsContact O-OG 3.08Å; C511-S550 CarbonylContact C-O 3.58Å; T546-S550 VanDerWaalsContact O-CB 3.22Å; T546-S550 WeakPolarHBondContact O-CB 3.43Å; T546-S550 PolarHBondContact O-N 2.9Å; T546-S550 PolarHBondContact O-OG 3.49Å; L547-S550 PolarHBondContact O-N 2.94Å |
| 551 | V | 95.3 | Very high | 95.7 | Very high | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.018 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -94.3 | -17.8 | -179.3 | -56.5 | 0 | 0 | 0 | 0 | 113.4 | L514 V515 L518 L547 H553 H554 L555 | L514-V551 HydrophobicContact CB-CG1 4.34Å; V515-V551 HydrophobicContact CG2-CB 4.19Å; V515-V551 HydrophobicContact CG2-CG1 4.17Å; L518-V551 HydrophobicContact CD1-CG1 4.33Å; L518-V551 HydrophobicContact CD1-CG2 4.26Å; L518-V551 HydrophobicContact CD2-CG2 4.14Å; L547-V551 HydrophobicContact CD1-CG1 3.94Å; L547-V551 VanDerWaalsContact O-CG2 3.27Å; L547-V551 WeakPolarHBondContact O-CG2 3.44Å; L547-V551 PolarHBondContact O-N 3.29Å; V551-H553 PolarHBondContact O-N 2.95Å; V551-H554 HydrophobicContact CB-CB 4.4Å; V551-H554 WeakPolarHBondContact O-CB 3.45Å; V551-H554 PolarHBondContact O-N 2.99Å; V551-H554 PolarHBondContact O-ND1 3Å; V551-L555 HydrophobicContact CG2-CB 3.94Å |
| 552 | G | 94.1 | Very high | 95.7 | Very high | 21 Ų | 21 | 43.9 Ų | 43.9 | 22% | 0.216 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | 50.4 | -132.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | A548 H554 L555 | A548-G552 VanDerWaalsContact O-CA 3.25Å; A548-G552 WeakPolarHBondContact O-CA 3.45Å; A548-G552 PolarHBondContact O-N 3.04Å; G552-H554 PolarHBondContact O-N 2.65Å; G552-L555 WeakPolarHBondContact O-CB 3.44Å; G552-L555 PolarHBondContact O-N 3.27Å |
| 553 | H | 94.9 | Very high | 96 | Very high | 116 Ų | 116 | 44.2 Ų | 44.2 | 54% | 0.537 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -60.6 | -12.7 | -175.7 | 70.7 | -80.6 | 0 | 0 | 0 | 115.4 | V551 L555 N556 A595 | V551-H553 PolarHBondContact O-N 2.95Å; H553-L555 PolarHBondContact O-N 2.97Å; H553-N556 VanDerWaalsContact O-CB 3.3Å; H553-N556 WeakPolarHBondContact O-CB 3.48Å; H553-N556 PolarHBondContact O-N 3.32Å; H553-N556 VanDerWaalsContact O-N 3.08Å; H553-A595 WeakPolarHBondContact CA-O 3.19Å |
| 554 | H | 97 | Very high | 96.2 | Very high | 66 Ų | 66 | 44.3 Ų | 44.3 | 31% | 0.306 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -64.1 | -23.5 | 172.5 | -60.9 | 94.4 | 0 | 0 | 0 | 112.3 | V515 V551 G552 N556 | V515-H554 HydrophobicContact CG1-CB 4.11Å; V515-H554 HydrophobicContact CG2-CB 3.82Å; V551-H554 HydrophobicContact CB-CB 4.4Å; V551-H554 WeakPolarHBondContact O-CB 3.45Å; V551-H554 PolarHBondContact O-N 2.99Å; V551-H554 PolarHBondContact O-ND1 3Å; G552-H554 PolarHBondContact O-N 2.65Å; H554-N556 PolarHBondContact O-N 3.25Å |
| 555 | L | 97.8 | Very high | 96.1 | Very high | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -68.9 | -21.6 | 174.1 | -166.8 | 62.4 | 0 | 0 | 0 | 112.7 | L518 L522 A548 V551 G552 H553 Q557 L564 A595 L596 | L518-L555 HydrophobicContact CD1-CD1 4.37Å; L518-L555 HydrophobicContact CD2-CD1 4.23Å; L522-L555 HydrophobicContact CD1-CD1 3.93Å; L522-L555 HydrophobicContact CD2-CD1 4.23Å; A548-L555 HydrophobicContact CB-CD2 3.87Å; V551-L555 HydrophobicContact CG2-CB 3.94Å; G552-L555 WeakPolarHBondContact O-CB 3.44Å; G552-L555 PolarHBondContact O-N 3.27Å; H553-L555 PolarHBondContact O-N 2.97Å; L555-Q557 PolarHBondContact O-N 3.17Å; L555-L564 HydrophobicContact CD2-CD2 4.25Å; L555-A595 HydrophobicContact CB-CB 4.4Å; L555-A595 HydrophobicContact CD2-CB 4.2Å; L555-L596 HydrophobicContact CB-CD2 4.21Å; L555-L596 HydrophobicContact CD2-CD2 4.24Å; L555-L596 HydrophobicContact CG-CD2 3.88Å; L555-L596 WeakPolarHBondContact O-CD2 3.34Å |
| 556 | N | 97.7 | Very high | 96.2 | Very high | 40 Ų | 40 | 47.6 Ų | 47.6 | 21% | 0.214 | 25% | 0.248 | C | C | . | . | trans | -75.8 | 64.2 | -178.9 | -170 | 9.7 | 0 | 0 | 0 | 112.5 | H553 H554 L596 | H553-N556 VanDerWaalsContact O-CB 3.3Å; H553-N556 WeakPolarHBondContact O-CB 3.48Å; H553-N556 PolarHBondContact O-N 3.32Å; H553-N556 VanDerWaalsContact O-N 3.08Å; H554-N556 PolarHBondContact O-N 3.25Å; N556-L596 HydrophobicContact CB-CD2 4.39Å; N556-L596 PolarHBondContact ND2-O 2.88Å; N556-L596 PolarHBondContact OD1-O 3.13Å | ||
| 557 | Q | 97.4 | Very high | 96.4 | Very high | 98 Ų | 98 | 47.6 Ų | 47.6 | 46% | 0.458 | 25% | 0.248 | S | C | . | . | trans | -124.3 | 140 | 172.9 | -62.4 | -61.6 | -32.6 | 0 | 0 | 110.1 | L555 E559 Y560 I561 | L555-Q557 PolarHBondContact O-N 3.17Å; Q557-E559 PolarHBondContact O-N 2.8Å; Q557-E559 VanDerWaalsContact O-N 3.12Å; Q557-Y560 HydrophobicContact CB-CD2 3.62Å; Q557-Y560 HydrophobicContact CB-CE2 3.94Å; Q557-Y560 HydrophobicContact CB-CG 4.13Å; Q557-Y560 HydrophobicContact CG-CD2 3.91Å; Q557-Y560 HydrophobicContact CG-CE2 3.83Å; Q557-Y560 PolarHBondContact O-N 2.96Å; Q557-I561 WeakPolarHBondContact O-CG1 3.37Å; Q557-I561 PolarHBondContact O-N 3.17Å | ||
| 558 | P | 97.1 | Very high | 96.4 | Very high | 85 Ų | 85 | 47.5 Ų | 47.5 | 55% | 0.552 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -54.7 | -35.8 | -178.6 | -28 | 34.9 | 0 | 0 | 0 | 114.2 | Q562 | P558-Q562 VanDerWaalsContact O-CB 3.31Å; P558-Q562 WeakPolarHBondContact O-CB 3.33Å; P558-Q562 WeakPolarHBondContact O-CG 3.36Å; P558-Q562 PolarHBondContact O-N 3.41Å; P558-Q562 VanDerWaalsContact O-N 3.12Å |
| 559 | E | 97.1 | Very high | 96.3 | Very high | 100 Ų | 100 | 49.3 Ų | 49.3 | 47% | 0.467 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.5 | -48.3 | 176.4 | -178.6 | -175.5 | 154.4 | 0 | 0 | 111.6 | S519 Q557 Q562 K563 | S519-E559 PolarHBondContact OG-OE1 3.33Å; Q557-E559 PolarHBondContact O-N 2.8Å; Q557-E559 VanDerWaalsContact O-N 3.12Å; E559-Q562 PolarHBondContact O-N 3.34Å; E559-K563 WeakPolarHBondContact O-CG 3.41Å; E559-K563 PolarHBondContact O-N 2.96Å; E559-K563 IonicContact OE1-NZ 3.68Å; E559-K563 PolarHBondContact OE1-NZ 3.39Å |
| 560 | Y | 98.2 | Very high | 96.5 | Very high | 42 Ų | 42 | 47.5 Ų | 47.5 | 17% | 0.165 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71 | -43 | -175.4 | -56.2 | -23 | 0 | 0 | 0 | 111.5 | L518 L522 Q557 Q562 K563 L564 | L518-Y560 HydrophobicContact CB-CE2 4.42Å; L518-Y560 HydrophobicContact CD2-CD2 3.76Å; L518-Y560 HydrophobicContact CD2-CE2 3.54Å; L518-Y560 HydrophobicContact CG-CD2 4.26Å; L518-Y560 HydrophobicContact CG-CE2 4.03Å; L522-Y560 HydrophobicContact CD1-CD1 3.7Å; L522-Y560 HydrophobicContact CD1-CD2 4.34Å; L522-Y560 HydrophobicContact CD1-CG 3.59Å; Q557-Y560 HydrophobicContact CB-CD2 3.62Å; Q557-Y560 HydrophobicContact CB-CE2 3.94Å; Q557-Y560 HydrophobicContact CB-CG 4.13Å; Q557-Y560 HydrophobicContact CG-CD2 3.91Å; Q557-Y560 HydrophobicContact CG-CE2 3.83Å; Q557-Y560 PolarHBondContact O-N 2.96Å; Y560-Q562 VanDerWaalsContact C-N 3.31Å; Y560-Q562 PolarHBondContact O-N 2.96Å; Y560-K563 PolarHBondContact O-N 2.96Å; Y560-K563 VanDerWaalsContact O-N 3.12Å; Y560-L564 WeakPolarHBondContact O-CB 3.4Å; Y560-L564 PolarHBondContact O-N 3.08Å |
| 561 | I | 97.8 | Very high | 96.7 | Very high | 18 Ų | 18 | 49.1 Ų | 49.1 | 9% | 0.092 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 176.1 | -61.9 | 169.2 | 0 | 0 | 0 | 110.8 | Q557 K563 L564 M565 L596 Y603 | Q557-I561 WeakPolarHBondContact O-CG1 3.37Å; Q557-I561 PolarHBondContact O-N 3.17Å; I561-K563 VanDerWaalsContact C-N 3.26Å; I561-K563 PolarHBondContact O-N 3.31Å; I561-L564 PolarHBondContact O-N 2.75Å; I561-M565 HydrophobicContact CG2-CG 3.79Å; I561-M565 WeakPolarHBondContact O-CB 3.46Å; I561-M565 WeakPolarHBondContact O-CG 3.28Å; I561-M565 PolarHBondContact O-N 2.81Å; I561-L596 HydrophobicContact CD1-CD2 4.02Å; I561-L596 HydrophobicContact CG1-CD1 3.99Å; I561-L596 HydrophobicContact CG1-CD2 3.58Å; I561-L596 HydrophobicContact CG1-CG 4.41Å; I561-Y603 HydrophobicContact CG2-CE2 3.96Å |
| 562 | Q | 96.2 | Very high | 96.6 | Very high | 142 Ų | 142 | 49.6 Ų | 49.6 | 66% | 0.664 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -67.3 | -25.4 | 179.2 | -75.1 | 172.3 | 25.7 | 0 | 0 | 113.4 | P558 E559 Y560 P566 | P558-Q562 VanDerWaalsContact O-CB 3.31Å; P558-Q562 WeakPolarHBondContact O-CB 3.33Å; P558-Q562 WeakPolarHBondContact O-CG 3.36Å; P558-Q562 PolarHBondContact O-N 3.41Å; P558-Q562 VanDerWaalsContact O-N 3.12Å; E559-Q562 PolarHBondContact O-N 3.34Å; Y560-Q562 VanDerWaalsContact C-N 3.31Å; Y560-Q562 PolarHBondContact O-N 2.96Å; Q562-P566 WeakPolarHBondContact O-CD 3.25Å; Q562-P566 WeakPolarHBondContact O-CG 3.41Å |
| 563 | K | 96.4 | Very high | 96.6 | Very high | 49 Ų | 49 | 54.2 Ų | 54.2 | 21% | 0.213 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -79.9 | -48.5 | 173.6 | -69.4 | 178.2 | -178.1 | -168 | 0 | 111.7 | S519 D523 V526 E559 Y560 I561 P567 | S519-K563 PolarHBondContact OG-NZ 3.36Å; D523-K563 VanDerWaalsContact CG-NZ 3.34Å; D523-K563 WeakPolarHBondContact OD1-CD 3.49Å; D523-K563 VanDerWaalsContact OD1-CE 3.3Å; D523-K563 WeakPolarHBondContact OD1-CE 3.49Å; D523-K563 IonicContact OD1-NZ 2.86Å; D523-K563 PolarHBondContact OD1-NZ 2.99Å; D523-K563 IonicContact OD2-NZ 2.92Å; D523-K563 PolarHBondContact OD2-NZ 2.9Å; V526-K563 HydrophobicContact CG2-CB 4.36Å; E559-K563 WeakPolarHBondContact O-CG 3.41Å; E559-K563 PolarHBondContact O-N 2.96Å; E559-K563 IonicContact OE1-NZ 3.68Å; E559-K563 PolarHBondContact OE1-NZ 3.39Å; Y560-K563 PolarHBondContact O-N 2.96Å; Y560-K563 VanDerWaalsContact O-N 3.12Å; I561-K563 VanDerWaalsContact C-N 3.26Å; I561-K563 PolarHBondContact O-N 3.31Å; K563-P567 WeakPolarHBondContact O-CD 3.28Å |
| 564 | L | 97.3 | Very high | 96.6 | Very high | 3 Ų | 3 | 54.8 Ų | 54.8 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -83.2 | -41.2 | -166.9 | -176.3 | 61.7 | 0 | 0 | 0 | 114.3 | L522 V526 I544 L555 Y560 I561 P567 L568 V592 | L522-L564 HydrophobicContact CD2-CD2 4.48Å; V526-L564 HydrophobicContact CG2-CD1 4.4Å; I544-L564 HydrophobicContact CD1-CD1 4.13Å; I544-L564 HydrophobicContact CG1-CD1 4.49Å; I544-L564 HydrophobicContact CG2-CD1 3.89Å; I544-L564 HydrophobicContact CG2-CD2 4.09Å; L555-L564 HydrophobicContact CD2-CD2 4.25Å; Y560-L564 WeakPolarHBondContact O-CB 3.4Å; Y560-L564 PolarHBondContact O-N 3.08Å; I561-L564 PolarHBondContact O-N 2.75Å; L564-P567 WeakPolarHBondContact O-CD 3.44Å; L564-P567 VanDerWaalsContact O-CG 3.24Å; L564-P567 WeakPolarHBondContact O-CG 3.23Å; L564-L568 HydrophobicContact CD1-CD1 4.16Å; L564-L568 HydrophobicContact CD2-CD1 4.45Å; L564-L568 HydrophobicContact CG-CD1 3.89Å; L564-V592 HydrophobicContact CD2-CG1 4.46Å; L564-V592 HydrophobicContact CD2-CG2 4.26Å |
| 565 | M | 97.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -67.3 | -38.2 | -173.3 | -67.2 | -55 | -56.2 | 0 | 0 | 114.6 | I561 L568 I569 L589 V592 L596 F600 Y603 | I561-M565 HydrophobicContact CG2-CG 3.79Å; I561-M565 WeakPolarHBondContact O-CB 3.46Å; I561-M565 WeakPolarHBondContact O-CG 3.28Å; I561-M565 PolarHBondContact O-N 2.81Å; M565-L568 PolarHBondContact O-N 3.04Å; M565-L568 HydrophobicContact SD-CD1 4.4Å; M565-I569 HydrophobicContact CE-CD1 4.09Å; M565-I569 HydrophobicContact CE-CG1 4.07Å; M565-I569 WeakPolarHBondContact O-CB 3.34Å; M565-I569 VanDerWaalsContact O-CG1 3.27Å; M565-I569 WeakPolarHBondContact O-CG1 3.47Å; M565-I569 PolarHBondContact O-N 3.12Å; M565-L589 HydrophobicContact CE-CD2 4.4Å; M565-V592 HydrophobicContact SD-CG1 4.02Å; M565-L596 HydrophobicContact CG-CD1 4.41Å; M565-L596 HydrophobicContact SD-CD1 4Å; M565-F600 HydrophobicContact CE-CD2 4.21Å; M565-F600 HydrophobicContact CE-CE2 3.52Å; M565-F600 HydrophobicContact CE-CZ 4.18Å; M565-F600 HydrophobicContact SD-CD2 4.39Å; M565-F600 HydrophobicContact SD-CE2 4.06Å; M565-Y603 HydrophobicContact CB-CE1 3.86Å; M565-Y603 HydrophobicContact CB-CE2 4.13Å; M565-Y603 HydrophobicContact CE-CD1 4.01Å; M565-Y603 HydrophobicContact CE-CD2 3.9Å; M565-Y603 HydrophobicContact CE-CE1 4.39Å; M565-Y603 HydrophobicContact CE-CE2 4.31Å; M565-Y603 HydrophobicContact CE-CG 3.74Å; M565-Y603 HydrophobicContact CG-CD2 4.22Å; M565-Y603 HydrophobicContact CG-CE1 4.3Å; M565-Y603 HydrophobicContact CG-CE2 3.68Å |
| 566 | P | 97.3 | Very high | 96.4 | Very high | 75 Ų | 75 | 59.5 Ų | 59.5 | 49% | 0.487 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -55.7 | -49.6 | 180 | -26 | 35 | 0 | 0 | 0 | 115.5 | Q562 I569 A570 | Q562-P566 WeakPolarHBondContact O-CD 3.25Å; Q562-P566 WeakPolarHBondContact O-CG 3.41Å; P566-I569 PolarHBondContact O-N 3.12Å; P566-A570 WeakPolarHBondContact O-CB 3.49Å; P566-A570 PolarHBondContact O-N 3.24Å |
| 567 | P | 97.4 | Very high | 96.2 | Very high | 24 Ų | 24 | 59.2 Ų | 59.2 | 16% | 0.156 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.5 | -39.5 | 177.6 | 24.3 | -34 | 0 | 0 | 0 | 113.1 | V526 F529 K563 L564 I569 A570 K571 | V526-P567 HydrophobicContact CG1-CG 4.38Å; F529-P567 HydrophobicContact CB-CB 4.13Å; F529-P567 HydrophobicContact CD1-CB 4.02Å; F529-P567 HydrophobicContact CD2-CB 3.73Å; F529-P567 HydrophobicContact CD2-CG 3.94Å; F529-P567 HydrophobicContact CE1-CB 4.37Å; F529-P567 HydrophobicContact CE2-CB 4.06Å; F529-P567 HydrophobicContact CE2-CG 4.02Å; F529-P567 HydrophobicContact CG-CB 3.69Å; F529-P567 HydrophobicContact CG-CG 4.42Å; F529-P567 HydrophobicContact CZ-CB 4.39Å; K563-P567 WeakPolarHBondContact O-CD 3.28Å; L564-P567 WeakPolarHBondContact O-CD 3.44Å; L564-P567 VanDerWaalsContact O-CG 3.24Å; L564-P567 WeakPolarHBondContact O-CG 3.23Å; P567-I569 PolarHBondContact O-N 3.38Å; P567-A570 WeakPolarHBondContact O-CB 3.16Å; P567-A570 PolarHBondContact O-N 3.23Å; P567-K571 PolarHBondContact O-N 2.93Å; P567-K571 VanDerWaalsContact O-N 3.1Å |
| 568 | L | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.6 | -45.4 | 176.3 | -70.9 | 174 | 0 | 0 | 0 | 111.9 | F529 Y541 L564 M565 A570 K571 W572 L585 L589 | F529-L568 HydrophobicContact CE1-CD2 4.32Å; F529-L568 HydrophobicContact CZ-CD2 3.76Å; F529-L568 HydrophobicContact CZ-CG 4.27Å; Y541-L568 HydrophobicContact CD1-CD2 4.08Å; Y541-L568 HydrophobicContact CE1-CD2 4.15Å; L564-L568 HydrophobicContact CD1-CD1 4.16Å; L564-L568 HydrophobicContact CD2-CD1 4.45Å; L564-L568 HydrophobicContact CG-CD1 3.89Å; M565-L568 PolarHBondContact O-N 3.04Å; M565-L568 HydrophobicContact SD-CD1 4.4Å; L568-A570 VanDerWaalsContact C-N 3.32Å; L568-A570 PolarHBondContact O-N 3.24Å; L568-K571 PolarHBondContact O-N 3.46Å; L568-W572 WeakPolarHBondContact O-CB 3.46Å; L568-W572 PolarHBondContact O-N 3.04Å; L568-L585 HydrophobicContact CD2-CD1 3.9Å; L568-L589 HydrophobicContact CB-CD2 4.47Å; L568-L589 HydrophobicContact CD1-CD2 4.24Å |
| 569 | I | 95.9 | Very high | 95.6 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 20% | 0.2 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.9 | -32.2 | 178.2 | -64.5 | -63.1 | 0 | 0 | 0 | 111.7 | M565 P566 P567 K571 N573 Y603 | M565-I569 HydrophobicContact CE-CD1 4.09Å; M565-I569 HydrophobicContact CE-CG1 4.07Å; M565-I569 WeakPolarHBondContact O-CB 3.34Å; M565-I569 VanDerWaalsContact O-CG1 3.27Å; M565-I569 WeakPolarHBondContact O-CG1 3.47Å; M565-I569 PolarHBondContact O-N 3.12Å; P566-I569 PolarHBondContact O-N 3.12Å; P567-I569 PolarHBondContact O-N 3.38Å; I569-K571 VanDerWaalsContact C-N 3.34Å; I569-N573 WeakPolarHBondContact CG2-ND2 3.26Å; I569-N573 PolarHBondContact O-N 2.93Å; I569-N573 VanDerWaalsContact O-N 3.13Å; I569-N573 PolarHBondContact O-ND2 3.05Å; I569-Y603 HydrophobicContact CD1-CD1 4.23Å; I569-Y603 HydrophobicContact CG1-CD1 4.11Å |
| 570 | A | 96.1 | Very high | 95.3 | Very high | 58 Ų | 58 | 58.3 Ų | 58.3 | 48% | 0.479 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | P566 P567 L568 N573 E574 | P566-A570 WeakPolarHBondContact O-CB 3.49Å; P566-A570 PolarHBondContact O-N 3.24Å; P567-A570 WeakPolarHBondContact O-CB 3.16Å; P567-A570 PolarHBondContact O-N 3.23Å; L568-A570 VanDerWaalsContact C-N 3.32Å; L568-A570 PolarHBondContact O-N 3.24Å; A570-N573 PolarHBondContact O-N 3.37Å; A570-E574 PolarHBondContact O-N 3.47Å |
| 571 | K | 95.1 | Very high | 94.9 | Very high | 49 Ų | 49 | 57.4 Ų | 57.4 | 21% | 0.213 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 177.3 | -71.6 | -71.1 | 169.7 | -167.5 | 0 | 113.3 | L537 Y541 P567 L568 I569 N573 E574 L575 L585 | L537-K571 HydrophobicContact CD2-CD 3.86Å; Y541-K571 WeakPolarHBondContact OH-CB 3.39Å; Y541-K571 WeakPolarHBondContact OH-CD 3.47Å; Y541-K571 VanDerWaalsContact OH-CG 3.27Å; Y541-K571 WeakPolarHBondContact OH-CG 3.4Å; P567-K571 PolarHBondContact O-N 2.93Å; P567-K571 VanDerWaalsContact O-N 3.1Å; L568-K571 PolarHBondContact O-N 3.46Å; I569-K571 VanDerWaalsContact C-N 3.34Å; K571-N573 VanDerWaalsContact C-N 3.26Å; K571-N573 PolarHBondContact O-N 3.46Å; K571-E574 WeakPolarHBondContact CD-OE2 3.19Å; K571-E574 IonicContact NZ-OE1 3.67Å; K571-E574 IonicContact NZ-OE2 2.75Å; K571-E574 PolarHBondContact NZ-OE2 3.26Å; K571-E574 WeakPolarHBondContact O-CB 3.45Å; K571-E574 PolarHBondContact O-N 3.12Å; K571-L575 PolarHBondContact O-N 3.37Å; K571-L575 VanDerWaalsContact O-N 3.16Å; K571-L585 HydrophobicContact CB-CD2 4.38Å |
| 572 | W | 93.6 | Very high | 94.6 | Very high | 13 Ų | 13 | 56.6 Ų | 56.6 | 5% | 0.049 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -52.3 | -43.5 | 172.5 | 172.4 | -85.6 | 0 | 0 | 0 | 113 | L568 E574 L585 L586 L589 V607 R610 L646 | L568-W572 WeakPolarHBondContact O-CB 3.46Å; L568-W572 PolarHBondContact O-N 3.04Å; W572-E574 VanDerWaalsContact C-N 3.33Å; W572-L585 HydrophobicContact CB-CD2 4.22Å; W572-L586 HydrophobicContact CE3-CD2 3.75Å; W572-L586 HydrophobicContact CH2-CD2 4.3Å; W572-L586 HydrophobicContact CZ3-CD2 3.27Å; W572-L589 HydrophobicContact CE3-CD1 3.49Å; W572-L589 VanDerWaalsContact CE3-CD1 3.49Å; W572-L589 HydrophobicContact CZ3-CD1 3.79Å; W572-V607 HydrophobicContact CH2-CB 4.11Å; W572-V607 HydrophobicContact CH2-CG1 3.88Å; W572-V607 HydrophobicContact CH2-CG2 4.14Å; W572-V607 HydrophobicContact CZ2-CB 4.36Å; W572-V607 HydrophobicContact CZ2-CG2 4.19Å; W572-V607 HydrophobicContact CZ3-CG1 4.15Å; W572-V607 HydrophobicContact CZ3-CG2 4.37Å; W572-R610 HydrophobicContact CH2-CB 3.79Å; W572-R610 HydrophobicContact CH2-CG 4.17Å; W572-R610 HydrophobicContact CZ2-CB 3.46Å; W572-R610 VanDerWaalsContact CZ2-CB 3.46Å; W572-R610 HydrophobicContact CZ2-CG 3.9Å; W572-R610 PolarHBondContact O-NH1 3.05Å; W572-L646 HydrophobicContact CZ3-CD2 4.3Å |
| 573 | N | 94.6 | Very high | 94.5 | Very high | 119 Ų | 119 | 49.8 Ų | 49.8 | 64% | 0.636 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -77.4 | -18.4 | -179.3 | -68.8 | -47.8 | 0 | 0 | 0 | 113.6 | I569 A570 K571 | I569-N573 WeakPolarHBondContact CG2-ND2 3.26Å; I569-N573 PolarHBondContact O-N 2.93Å; I569-N573 VanDerWaalsContact O-N 3.13Å; I569-N573 PolarHBondContact O-ND2 3.05Å; A570-N573 PolarHBondContact O-N 3.37Å; K571-N573 VanDerWaalsContact C-N 3.26Å; K571-N573 PolarHBondContact O-N 3.46Å |
| 574 | E | 94.9 | Very high | 94.2 | Very high | 128 Ų | 128 | 47.5 Ų | 47.5 | 60% | 0.598 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -80.6 | -42.9 | 179.6 | -174.2 | 177.1 | -174.8 | 0 | 0 | 111.6 | A570 K571 W572 | A570-E574 PolarHBondContact O-N 3.47Å; K571-E574 WeakPolarHBondContact CD-OE2 3.19Å; K571-E574 IonicContact NZ-OE1 3.67Å; K571-E574 IonicContact NZ-OE2 2.75Å; K571-E574 PolarHBondContact NZ-OE2 3.26Å; K571-E574 WeakPolarHBondContact O-CB 3.45Å; K571-E574 PolarHBondContact O-N 3.12Å; W572-E574 VanDerWaalsContact C-N 3.33Å |
| 575 | L | 94.1 | Very high | 94.1 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 10% | 0.099 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -74.4 | 141.4 | -174.7 | -63.7 | 178.1 | 0 | 0 | 0 | 112.7 | K571 D579 D581 L582 L585 R610 | K571-L575 PolarHBondContact O-N 3.37Å; K571-L575 VanDerWaalsContact O-N 3.16Å; L575-D579 HydrophobicContact CD2-CB 4.49Å; L575-D581 HydrophobicContact CD1-CB 3.8Å; L575-D581 HydrophobicContact CD2-CB 3.75Å; L575-D581 HydrophobicContact CG-CB 4.44Å; L575-L582 HydrophobicContact CB-CD2 3.8Å; L575-L582 HydrophobicContact CB-CG 4.25Å; L575-L582 HydrophobicContact CD1-CD2 3.98Å; L575-L582 HydrophobicContact CD1-CG 4.44Å; L575-L585 HydrophobicContact CD1-CD2 3.83Å; L575-R610 PolarHBondContact O-NH2 3.45Å |
| 576 | K | 95.3 | Very high | 94 | Very high | 149 Ų | 149 | 47.4 Ų | 47.4 | 65% | 0.648 | 24% | 0.244 | S | C | * | . | trans | -87.6 | 165.5 | 174.6 | -63.3 | 177 | -172.1 | 163 | 0 | 111.1 | E578 D579 L582 | K576-E578 PolarHBondContact O-N 2.98Å; K576-D579 WeakPolarHBondContact O-CB 3.24Å; K576-D579 PolarHBondContact O-N 3.5Å; K576-L582 WeakPolarHBondContact O-CD1 3.39Å | ||
| 577 | D | 93.3 | Very high | 93.8 | Very high | 33 Ų | 33 | 46.1 Ų | 46.1 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -17.1 | -178.5 | -73.1 | -4.5 | 0 | 0 | 0 | 113.5 | R610 L614 K617 F639 | D577-R610 IonicContact OD1-CZ 2.7Å; D577-R610 IonicContact OD1-NE 3.62Å; D577-R610 PolarHBondContact OD1-NE 3.42Å; D577-R610 IonicContact OD1-NH2 2.89Å; D577-R610 PolarHBondContact OD1-NH2 3.25Å; D577-L614 HydrophobicContact CB-CD2 3.69Å; D577-K617 IonicContact OD2-NZ 3.51Å; D577-K617 PolarHBondContact OD2-NZ 2.95Å; D577-F639 VanDerWaalsContact O-CD1 3.32Å; D577-F639 WeakPolarHBondContact O-CD1 3.43Å; D577-F639 WeakPolarHBondContact O-CE1 3.41Å |
| 578 | E | 91.5 | Very high | 93.7 | Very high | 134 Ų | 134 | 45 Ų | 45 | 63% | 0.626 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | 2.5 | 178.5 | -51.6 | 77.7 | -163.6 | 0 | 0 | 112.6 | K576 F639 | K576-E578 PolarHBondContact O-N 2.98Å; E578-F639 VanDerWaalsContact C-CZ 3.49Å |
| 579 | D | 91.8 | Very high | 93.7 | Very high | 57 Ų | 57 | 45 Ų | 45 | 31% | 0.305 | 23% | 0.225 | S | C | . | . | trans | -87.9 | 122 | -176.1 | -158.8 | -33.1 | 0 | 0 | 0 | 111.1 | L575 K576 D581 L582 F639 | L575-D579 HydrophobicContact CD2-CB 4.49Å; K576-D579 WeakPolarHBondContact O-CB 3.24Å; K576-D579 PolarHBondContact O-N 3.5Å; D579-D581 PolarHBondContact O-N 3.27Å; D579-D581 WeakPolarHBondContact OD1-CB 3.27Å; D579-D581 PolarHBondContact OD1-N 3.5Å; D579-D581 VanDerWaalsContact OD1-N 3.14Å; D579-L582 VanDerWaalsContact O-CB 3.27Å; D579-L582 WeakPolarHBondContact O-CB 3.36Å; D579-L582 WeakPolarHBondContact O-CG 3.31Å; D579-L582 PolarHBondContact O-N 3.1Å; D579-F639 WeakPolarHBondContact O-CE1 3.45Å | ||
| 580 | K | 90.2 | Very high | 93.7 | Very high | 73 Ų | 73 | 43.9 Ų | 43.9 | 32% | 0.317 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -18.4 | -178.1 | -67 | -165.5 | 170.1 | -132.8 | 0 | 113 | L582 F583 D636 F639 | K580-L582 PolarHBondContact O-N 2.87Å; K580-L582 VanDerWaalsContact O-N 3.08Å; K580-F583 HydrophobicContact CB-CD2 4.3Å; K580-F583 HydrophobicContact CB-CE2 3.97Å; K580-F583 HydrophobicContact CB-CZ 4.36Å; K580-F583 HydrophobicContact CD-CE2 4.15Å; K580-F583 HydrophobicContact CG-CE2 3.93Å; K580-F583 HydrophobicContact CG-CZ 4.08Å; K580-F583 WeakPolarHBondContact O-CB 3.33Å; K580-F583 WeakPolarHBondContact O-CD2 3.41Å; K580-F583 VanDerWaalsContact O-CG 3.28Å; K580-F583 WeakPolarHBondContact O-CG 3.4Å; K580-F583 PolarHBondContact O-N 3.25Å; K580-D636 VanDerWaalsContact CE-OD2 3.26Å; K580-D636 WeakPolarHBondContact CE-OD2 3.35Å; K580-D636 IonicContact NZ-OD2 3.99Å; K580-D636 PolarHBondContact NZ-OD2 3.19Å; K580-F639 HydrophobicContact CG-CZ 4.31Å |
| 581 | D | 89.6 | Confident | 93.6 | Very high | 24 Ų | 24 | 42 Ų | 42 | 13% | 0.128 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -15.8 | 171.1 | -69.1 | -9 | 0 | 0 | 0 | 112.9 | H534 L538 L575 D579 F583 P584 | H534-D581 IonicContact CD2-OD1 3.25Å; H534-D581 IonicContact CD2-OD2 3.09Å; H534-D581 IonicContact CE1-OD1 3.54Å; H534-D581 IonicContact CE1-OD2 2.64Å; H534-D581 PolarHBondContact CE1-OD2 3.24Å; H534-D581 IonicContact NE2-OD1 2.66Å; H534-D581 PolarHBondContact NE2-OD1 3.38Å; H534-D581 IonicContact NE2-OD2 3.54Å; H534-D581 PolarHBondContact NE2-OD2 3.03Å; L538-D581 HydrophobicContact CD2-CB 4.31Å; L575-D581 HydrophobicContact CD1-CB 3.8Å; L575-D581 HydrophobicContact CD2-CB 3.75Å; L575-D581 HydrophobicContact CG-CB 4.44Å; D579-D581 PolarHBondContact O-N 3.27Å; D579-D581 WeakPolarHBondContact OD1-CB 3.27Å; D579-D581 PolarHBondContact OD1-N 3.5Å; D579-D581 VanDerWaalsContact OD1-N 3.14Å; D581-F583 PolarHBondContact O-N 3.13Å; D581-P584 WeakPolarHBondContact O-CD 3.27Å |
| 582 | L | 91.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -61 | -31.4 | 170.9 | -76.9 | -179.3 | 0 | 0 | 0 | 112.1 | L575 K576 D579 K580 L585 L586 F639 | L575-L582 HydrophobicContact CB-CD2 3.8Å; L575-L582 HydrophobicContact CB-CG 4.25Å; L575-L582 HydrophobicContact CD1-CD2 3.98Å; L575-L582 HydrophobicContact CD1-CG 4.44Å; K576-L582 WeakPolarHBondContact O-CD1 3.39Å; D579-L582 VanDerWaalsContact O-CB 3.27Å; D579-L582 WeakPolarHBondContact O-CB 3.36Å; D579-L582 WeakPolarHBondContact O-CG 3.31Å; D579-L582 PolarHBondContact O-N 3.1Å; K580-L582 PolarHBondContact O-N 2.87Å; K580-L582 VanDerWaalsContact O-N 3.08Å; L582-L585 PolarHBondContact O-N 3.37Å; L582-L586 HydrophobicContact CB-CG 4.41Å; L582-L586 HydrophobicContact CD2-CD2 4.32Å; L582-L586 VanDerWaalsContact O-CB 3.28Å; L582-L586 WeakPolarHBondContact O-CB 3.42Å; L582-L586 WeakPolarHBondContact O-CG 3.13Å; L582-L586 PolarHBondContact O-N 3.16Å; L582-F639 HydrophobicContact CB-CE1 4.44Å; L582-F639 HydrophobicContact CD1-CD1 4.4Å; L582-F639 HydrophobicContact CD1-CE1 4.16Å |
| 583 | F | 92.6 | Very high | 93.9 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.6 | -61.1 | -174.7 | -53.1 | -21.8 | 0 | 0 | 0 | 112 | R336 H338 K580 D581 L585 L586 E587 D638 F639 V642 | R336-F583 WeakPolarHBondContact O-CD2 3.47Å; R336-F583 WeakPolarHBondContact O-CE2 3.39Å; H338-F583 HydrophobicContact CB-CB 4.35Å; H338-F583 HydrophobicContact CB-CG 4.28Å; K580-F583 HydrophobicContact CB-CD2 4.3Å; K580-F583 HydrophobicContact CB-CE2 3.97Å; K580-F583 HydrophobicContact CB-CZ 4.36Å; K580-F583 HydrophobicContact CD-CE2 4.15Å; K580-F583 HydrophobicContact CG-CE2 3.93Å; K580-F583 HydrophobicContact CG-CZ 4.08Å; K580-F583 WeakPolarHBondContact O-CB 3.33Å; K580-F583 WeakPolarHBondContact O-CD2 3.41Å; K580-F583 VanDerWaalsContact O-CG 3.28Å; K580-F583 WeakPolarHBondContact O-CG 3.4Å; K580-F583 PolarHBondContact O-N 3.25Å; D581-F583 PolarHBondContact O-N 3.13Å; F583-L585 VanDerWaalsContact C-N 3.3Å; F583-L585 PolarHBondContact O-N 3.03Å; F583-L586 PolarHBondContact O-N 2.85Å; F583-L586 VanDerWaalsContact O-N 3.17Å; F583-E587 WeakPolarHBondContact O-CG 3.45Å; F583-E587 PolarHBondContact O-N 3.27Å; F583-D638 HydrophobicContact CE1-CB 3.94Å; F583-D638 HydrophobicContact CE2-CB 3.92Å; F583-D638 HydrophobicContact CZ-CB 3.52Å; F583-F639 HydrophobicContact CD1-CD1 4.48Å; F583-F639 HydrophobicContact CD1-CE1 4.46Å; F583-F639 AromaticContact CE1-CD1 3.63Å; F583-F639 HydrophobicContact CE1-CD1 3.63Å; F583-F639 AromaticContact CE1-CD2 3.95Å; F583-F639 HydrophobicContact CE1-CD2 3.95Å; F583-F639 AromaticContact CE1-CE1 3.64Å; F583-F639 HydrophobicContact CE1-CE1 3.64Å; F583-F639 AromaticContact CE1-CE2 3.96Å; F583-F639 HydrophobicContact CE1-CE2 3.96Å; F583-F639 AromaticContact CE1-CG 3.78Å; F583-F639 HydrophobicContact CE1-CG 3.78Å; F583-F639 AromaticContact CE1-CZ 3.8Å; F583-F639 HydrophobicContact CE1-CZ 3.8Å; F583-F639 HydrophobicContact CZ-CD1 4.45Å; F583-F639 HydrophobicContact CZ-CD2 4.04Å; F583-F639 HydrophobicContact CZ-CE1 4.23Å; F583-F639 AromaticContact CZ-CE2 3.81Å; F583-F639 HydrophobicContact CZ-CE2 3.81Å; F583-F639 HydrophobicContact CZ-CG 4.35Å; F583-F639 AromaticContact CZ-CZ 3.9Å; F583-F639 HydrophobicContact CZ-CZ 3.9Å; F583-V642 HydrophobicContact CD1-CG1 4.02Å |
| 584 | P | 91.6 | Very high | 93.9 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.4 | -32.1 | 179.7 | 25.5 | -35 | 0 | 0 | 0 | 112.9 | L538 Y541 D581 E587 C588 | L538-P584 HydrophobicContact CB-CG 4.24Å; L538-P584 HydrophobicContact CD2-CG 3.77Å; L538-P584 HydrophobicContact CG-CG 4.49Å; Y541-P584 WeakPolarHBondContact CB-O 3.27Å; Y541-P584 HydrophobicContact CD2-CB 4Å; Y541-P584 HydrophobicContact CD2-CG 4.08Å; D581-P584 WeakPolarHBondContact O-CD 3.27Å; P584-E587 WeakPolarHBondContact CA-OE2 3.35Å; P584-C588 VanDerWaalsContact O-CB 3.23Å; P584-C588 WeakPolarHBondContact O-CB 3.34Å; P584-C588 PolarHBondContact O-N 3.48Å |
| 585 | L | 95.3 | Very high | 94 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.7 | -41 | 175.6 | 177.5 | 62.9 | 0 | 0 | 0 | 112 | Y541 L568 K571 W572 L575 L582 F583 L589 | Y541-L585 HydrophobicContact CD1-CD1 3.96Å; Y541-L585 HydrophobicContact CD2-CB 4.38Å; Y541-L585 HydrophobicContact CE1-CB 4.49Å; Y541-L585 HydrophobicContact CE1-CD1 3.6Å; Y541-L585 HydrophobicContact CE2-CB 4.24Å; L568-L585 HydrophobicContact CD2-CD1 3.9Å; K571-L585 HydrophobicContact CB-CD2 4.38Å; W572-L585 HydrophobicContact CB-CD2 4.22Å; L575-L585 HydrophobicContact CD1-CD2 3.83Å; L582-L585 PolarHBondContact O-N 3.37Å; F583-L585 VanDerWaalsContact C-N 3.3Å; F583-L585 PolarHBondContact O-N 3.03Å; L585-L589 HydrophobicContact CD1-CD1 4.31Å; L585-L589 HydrophobicContact CD1-CG 4.43Å; L585-L589 HydrophobicContact CG-CD1 4.22Å; L585-L589 WeakPolarHBondContact O-CB 3.44Å; L585-L589 WeakPolarHBondContact O-CG 3.43Å; L585-L589 PolarHBondContact O-N 3.06Å |
| 586 | L | 95.3 | Very high | 94.2 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -75.7 | -37.4 | -178.2 | -67.4 | -142.1 | 0 | 0 | 0 | 111.6 | W572 L582 F583 L589 S590 L614 V642 L646 | W572-L586 HydrophobicContact CE3-CD2 3.75Å; W572-L586 HydrophobicContact CH2-CD2 4.3Å; W572-L586 HydrophobicContact CZ3-CD2 3.27Å; L582-L586 HydrophobicContact CB-CG 4.41Å; L582-L586 HydrophobicContact CD2-CD2 4.32Å; L582-L586 VanDerWaalsContact O-CB 3.28Å; L582-L586 WeakPolarHBondContact O-CB 3.42Å; L582-L586 WeakPolarHBondContact O-CG 3.13Å; L582-L586 PolarHBondContact O-N 3.16Å; F583-L586 PolarHBondContact O-N 2.85Å; F583-L586 VanDerWaalsContact O-N 3.17Å; L586-L589 HydrophobicContact CD2-CD1 4.3Å; L586-L589 PolarHBondContact O-N 2.99Å; L586-S590 PolarHBondContact O-N 3.36Å; L586-L614 HydrophobicContact CD1-CD1 4.33Å; L586-V642 HydrophobicContact CB-CG1 4.44Å; L586-V642 HydrophobicContact CB-CG2 3.49Å; L586-V642 VanDerWaalsContact CB-CG2 3.49Å; L586-V642 HydrophobicContact CD1-CG1 4.13Å; L586-V642 HydrophobicContact CG-CG2 4.44Å; L586-L646 HydrophobicContact CB-CD2 4.11Å; L586-L646 HydrophobicContact CD1-CD2 4.01Å; L586-L646 HydrophobicContact CD2-CD2 4Å; L586-L646 HydrophobicContact CG-CD2 4.24Å |
| 587 | E | 91.8 | Very high | 94.2 | Very high | 47 Ų | 47 | 25.2 Ų | 25.2 | 22% | 0.22 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -55.7 | -53.6 | 168.5 | -71.6 | 169.1 | 163.2 | 0 | 0 | 110.1 | R336 H338 F583 P584 L589 S590 S591 V642 | R336-E587 IonicContact NH2-OE2 2.78Å; R336-E587 PolarHBondContact NH2-OE2 3.33Å; H338-E587 IonicContact CE1-OE1 3.2Å; H338-E587 IonicContact CG-OE1 3.27Å; H338-E587 IonicContact ND1-OE1 2.73Å; H338-E587 PolarHBondContact ND1-OE1 3.47Å; F583-E587 WeakPolarHBondContact O-CG 3.45Å; F583-E587 PolarHBondContact O-N 3.27Å; P584-E587 WeakPolarHBondContact CA-OE2 3.35Å; E587-L589 VanDerWaalsContact C-N 3.34Å; E587-L589 PolarHBondContact O-N 3.04Å; E587-S590 WeakPolarHBondContact O-CA 3.45Å; E587-S590 WeakPolarHBondContact O-CB 3.45Å; E587-S590 PolarHBondContact O-N 3.25Å; E587-S591 PolarHBondContact O-N 3.47Å; E587-V642 HydrophobicContact CG-CG2 4.14Å |
| 588 | C | 96.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.014 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -55.3 | -45.7 | 175.8 | 168.1 | 0 | 0 | 0 | 0 | 112.8 | Y541 I544 P584 S590 S591 V592 | Y541-C588 WeakPolarHBondContact O-CB 3.45Å; I544-C588 VanDerWaalsContact CG2-SG 3.57Å; P584-C588 VanDerWaalsContact O-CB 3.23Å; P584-C588 WeakPolarHBondContact O-CB 3.34Å; P584-C588 PolarHBondContact O-N 3.48Å; C588-S590 PolarHBondContact O-N 2.96Å; C588-S591 PolarHBondContact O-N 2.91Å; C588-V592 WeakPolarHBondContact O-CB 3.41Å; C588-V592 VanDerWaalsContact O-CG2 3.25Å; C588-V592 WeakPolarHBondContact O-CG2 3.43Å; C588-V592 PolarHBondContact O-N 3.32Å |
| 589 | L | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -65.9 | -25.8 | 178 | -77.9 | 171.8 | 0 | 0 | 0 | 112.8 | M565 L568 W572 L585 L586 E587 A593 F600 L646 | M565-L589 HydrophobicContact CE-CD2 4.4Å; L568-L589 HydrophobicContact CB-CD2 4.47Å; L568-L589 HydrophobicContact CD1-CD2 4.24Å; W572-L589 HydrophobicContact CE3-CD1 3.49Å; W572-L589 VanDerWaalsContact CE3-CD1 3.49Å; W572-L589 HydrophobicContact CZ3-CD1 3.79Å; L585-L589 HydrophobicContact CD1-CD1 4.31Å; L585-L589 HydrophobicContact CD1-CG 4.43Å; L585-L589 HydrophobicContact CG-CD1 4.22Å; L585-L589 WeakPolarHBondContact O-CB 3.44Å; L585-L589 WeakPolarHBondContact O-CG 3.43Å; L585-L589 PolarHBondContact O-N 3.06Å; L586-L589 HydrophobicContact CD2-CD1 4.3Å; L586-L589 PolarHBondContact O-N 2.99Å; E587-L589 VanDerWaalsContact C-N 3.34Å; E587-L589 PolarHBondContact O-N 3.04Å; L589-A593 WeakPolarHBondContact O-CB 3.38Å; L589-A593 PolarHBondContact O-N 3.26Å; L589-F600 HydrophobicContact CD2-CE2 4.27Å; L589-F600 HydrophobicContact CD2-CZ 4.26Å; L589-L646 HydrophobicContact CB-CD1 3.96Å; L589-L646 HydrophobicContact CB-CD2 4.23Å |
| 590 | S | 94.6 | Very high | 94.8 | Very high | 14 Ų | 14 | 18.1 Ų | 18.1 | 10% | 0.098 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.1 | -51.7 | 177.2 | -165.3 | 0 | 0 | 0 | 0 | 110.5 | L586 E587 C588 A593 T594 D645 | L586-S590 PolarHBondContact O-N 3.36Å; E587-S590 WeakPolarHBondContact O-CA 3.45Å; E587-S590 WeakPolarHBondContact O-CB 3.45Å; E587-S590 PolarHBondContact O-N 3.25Å; C588-S590 PolarHBondContact O-N 2.96Å; S590-A593 PolarHBondContact O-N 3.48Å; S590-T594 PolarHBondContact O-N 2.84Å; S590-T594 VanDerWaalsContact O-N 3.11Å; S590-T594 PolarHBondContact O-OG1 3.05Å; S590-D645 PolarHBondContact OG-O 2.98Å |
| 591 | S | 95.4 | Very high | 95.1 | Very high | 18 Ų | 18 | 17.9 Ų | 17.9 | 13% | 0.126 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.1 | -45.2 | 175 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | G545 D549 E587 C588 A593 T594 A595 | G545-S591 WeakPolarHBondContact O-CB 3.36Å; D549-S591 VanDerWaalsContact CG-CB 3.49Å; D549-S591 VanDerWaalsContact CG-OG 3.31Å; D549-S591 WeakPolarHBondContact OD1-CB 3.21Å; D549-S591 PolarHBondContact OD1-OG 3.29Å; D549-S591 VanDerWaalsContact OD2-CB 3.26Å; D549-S591 WeakPolarHBondContact OD2-CB 3.33Å; D549-S591 PolarHBondContact OD2-OG 3.46Å; E587-S591 PolarHBondContact O-N 3.47Å; C588-S591 PolarHBondContact O-N 2.91Å; S591-A593 PolarHBondContact O-N 2.66Å; S591-T594 PolarHBondContact O-N 3.41Å; S591-A595 WeakPolarHBondContact O-CB 3.24Å; S591-A595 PolarHBondContact O-N 2.99Å |
| 592 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -62.8 | -41.5 | 178 | 170.8 | 0 | 0 | 0 | 0 | 112 | I544 A548 L564 M565 C588 T594 A595 L596 F600 | I544-V592 HydrophobicContact CG2-CG2 4Å; A548-V592 HydrophobicContact CB-CG2 3.98Å; L564-V592 HydrophobicContact CD2-CG1 4.46Å; L564-V592 HydrophobicContact CD2-CG2 4.26Å; M565-V592 HydrophobicContact SD-CG1 4.02Å; C588-V592 WeakPolarHBondContact O-CB 3.41Å; C588-V592 VanDerWaalsContact O-CG2 3.25Å; C588-V592 WeakPolarHBondContact O-CG2 3.43Å; C588-V592 PolarHBondContact O-N 3.32Å; V592-T594 VanDerWaalsContact C-N 3.34Å; V592-T594 PolarHBondContact O-N 3.32Å; V592-A595 PolarHBondContact O-N 3.46Å; V592-L596 HydrophobicContact CG1-CD1 3.69Å; V592-L596 HydrophobicContact CG1-CG 4.04Å; V592-L596 VanDerWaalsContact O-CB 3.26Å; V592-L596 WeakPolarHBondContact O-CB 3.33Å; V592-L596 VanDerWaalsContact O-CG 3.24Å; V592-L596 WeakPolarHBondContact O-CG 3.48Å; V592-L596 PolarHBondContact O-N 3.42Å; V592-F600 HydrophobicContact CG1-CE2 4.39Å |
| 593 | A | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -63 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L589 S590 S591 Q597 F600 L650 | L589-A593 WeakPolarHBondContact O-CB 3.38Å; L589-A593 PolarHBondContact O-N 3.26Å; S590-A593 PolarHBondContact O-N 3.48Å; S591-A593 PolarHBondContact O-N 2.66Å; A593-Q597 PolarHBondContact O-N 3.04Å; A593-F600 HydrophobicContact CB-CD1 4.11Å; A593-F600 HydrophobicContact CB-CD2 4.19Å; A593-F600 HydrophobicContact CB-CE1 4.25Å; A593-F600 HydrophobicContact CB-CE2 4.29Å; A593-F600 HydrophobicContact CB-CG 4.09Å; A593-F600 HydrophobicContact CB-CZ 4.33Å; A593-L650 HydrophobicContact CB-CD2 3.94Å |
| 594 | T | 94.6 | Very high | 95.9 | Very high | 28 Ų | 28 | 24.9 Ų | 24.9 | 17% | 0.172 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64 | -47.4 | 177 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | S590 S591 V592 Q597 G649 E652 | S590-T594 PolarHBondContact O-N 2.84Å; S590-T594 VanDerWaalsContact O-N 3.11Å; S590-T594 PolarHBondContact O-OG1 3.05Å; S591-T594 PolarHBondContact O-N 3.41Å; V592-T594 VanDerWaalsContact C-N 3.34Å; V592-T594 PolarHBondContact O-N 3.32Å; T594-Q597 VanDerWaalsContact O-CG 3.3Å; T594-Q597 WeakPolarHBondContact O-CG 3.12Å; T594-Q597 PolarHBondContact O-N 3.06Å; T594-G649 PolarHBondContact OG1-O 2.83Å; T594-E652 HydrophobicContact CG2-CG 4.09Å |
| 595 | A | 96.2 | Very high | 96.2 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 5% | 0.05 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.5 | -40.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | A548 H553 L555 S591 V592 | A548-A595 HydrophobicContact CB-CB 3.94Å; A548-A595 WeakPolarHBondContact O-CB 3.25Å; H553-A595 WeakPolarHBondContact CA-O 3.19Å; L555-A595 HydrophobicContact CB-CB 4.4Å; L555-A595 HydrophobicContact CD2-CB 4.2Å; S591-A595 WeakPolarHBondContact O-CB 3.24Å; S591-A595 PolarHBondContact O-N 2.99Å; V592-A595 PolarHBondContact O-N 3.46Å |
| 596 | L | 97.6 | Very high | 96.3 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -77.8 | -19.4 | -179.1 | -68.7 | -171.7 | 0 | 0 | 0 | 113.6 | L555 N556 I561 M565 V592 S598 G599 F600 | L555-L596 HydrophobicContact CB-CD2 4.21Å; L555-L596 HydrophobicContact CD2-CD2 4.24Å; L555-L596 HydrophobicContact CG-CD2 3.88Å; L555-L596 WeakPolarHBondContact O-CD2 3.34Å; N556-L596 HydrophobicContact CB-CD2 4.39Å; N556-L596 PolarHBondContact ND2-O 2.88Å; N556-L596 PolarHBondContact OD1-O 3.13Å; I561-L596 HydrophobicContact CD1-CD2 4.02Å; I561-L596 HydrophobicContact CG1-CD1 3.99Å; I561-L596 HydrophobicContact CG1-CD2 3.58Å; I561-L596 HydrophobicContact CG1-CG 4.41Å; M565-L596 HydrophobicContact CG-CD1 4.41Å; M565-L596 HydrophobicContact SD-CD1 4Å; V592-L596 HydrophobicContact CG1-CD1 3.69Å; V592-L596 HydrophobicContact CG1-CG 4.04Å; V592-L596 VanDerWaalsContact O-CB 3.26Å; V592-L596 WeakPolarHBondContact O-CB 3.33Å; V592-L596 VanDerWaalsContact O-CG 3.24Å; V592-L596 WeakPolarHBondContact O-CG 3.48Å; V592-L596 PolarHBondContact O-N 3.42Å; L596-S598 PolarHBondContact O-N 3.26Å; L596-G599 VanDerWaalsContact O-CA 3.32Å; L596-G599 WeakPolarHBondContact O-CA 3.49Å; L596-G599 PolarHBondContact O-N 2.94Å; L596-F600 HydrophobicContact CB-CB 4.12Å; L596-F600 HydrophobicContact CD1-CD2 4.08Å |
| 597 | Q | 95.8 | Very high | 96.4 | Very high | 90 Ų | 90 | 34.2 Ų | 34.2 | 42% | 0.421 | 19% | 0.194 | S | C | . | . | G | 310 helix | trans | 48 | -127.8 | -178.6 | -57.7 | 179 | -25 | 0 | 0 | 112 | A593 T594 G599 F600 G653 L654 | A593-Q597 PolarHBondContact O-N 3.04Å; T594-Q597 VanDerWaalsContact O-CG 3.3Å; T594-Q597 WeakPolarHBondContact O-CG 3.12Å; T594-Q597 PolarHBondContact O-N 3.06Å; Q597-G599 PolarHBondContact O-N 3.28Å; Q597-F600 WeakPolarHBondContact O-CB 3.45Å; Q597-F600 PolarHBondContact O-N 3.17Å; Q597-G653 CarbonylContact C-O 3.3Å; Q597-G653 WeakPolarHBondContact CA-O 3.3Å; Q597-G653 WeakPolarHBondContact CB-O 3.42Å; Q597-L654 WeakPolarHBondContact O-CD2 3.21Å |
| 598 | S | 95.2 | Very high | 96.7 | Very high | 60 Ų | 60 | 32.3 Ų | 32.3 | 42% | 0.42 | 19% | 0.185 | S | C | . | . | G | 310 helix | trans | -59.3 | -18.7 | 175.6 | 62.7 | 0 | 0 | 0 | 0 | 114.3 | L596 F600 L601 | L596-S598 PolarHBondContact O-N 3.26Å; S598-F600 PolarHBondContact O-N 3.34Å; S598-L601 WeakPolarHBondContact O-CB 3.47Å; S598-L601 WeakPolarHBondContact O-CD1 3.21Å; S598-L601 WeakPolarHBondContact O-CG 3.48Å; S598-L601 PolarHBondContact O-N 3.37Å |
| 599 | G | 96.9 | Very high | 96.8 | Very high | 15 Ų | 15 | 37.3 Ų | 37.3 | 16% | 0.155 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -63.1 | -23 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L596 Q597 L601 P602 | L596-G599 VanDerWaalsContact O-CA 3.32Å; L596-G599 WeakPolarHBondContact O-CA 3.49Å; L596-G599 PolarHBondContact O-N 2.94Å; Q597-G599 PolarHBondContact O-N 3.28Å; G599-L601 VanDerWaalsContact C-N 3.34Å; G599-P602 VanDerWaalsContact O-CD 3.29Å; G599-P602 WeakPolarHBondContact O-CD 3.46Å |
| 600 | F | 97.8 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -81.4 | -9.1 | 177.8 | -158.4 | -97 | 0 | 0 | 0 | 114 | M565 L589 V592 A593 L596 Q597 S598 P602 Y603 C604 V607 L650 L654 | M565-F600 HydrophobicContact CE-CD2 4.21Å; M565-F600 HydrophobicContact CE-CE2 3.52Å; M565-F600 HydrophobicContact CE-CZ 4.18Å; M565-F600 HydrophobicContact SD-CD2 4.39Å; M565-F600 HydrophobicContact SD-CE2 4.06Å; L589-F600 HydrophobicContact CD2-CE2 4.27Å; L589-F600 HydrophobicContact CD2-CZ 4.26Å; V592-F600 HydrophobicContact CG1-CE2 4.39Å; A593-F600 HydrophobicContact CB-CD1 4.11Å; A593-F600 HydrophobicContact CB-CD2 4.19Å; A593-F600 HydrophobicContact CB-CE1 4.25Å; A593-F600 HydrophobicContact CB-CE2 4.29Å; A593-F600 HydrophobicContact CB-CG 4.09Å; A593-F600 HydrophobicContact CB-CZ 4.33Å; L596-F600 HydrophobicContact CB-CB 4.12Å; L596-F600 HydrophobicContact CD1-CD2 4.08Å; Q597-F600 WeakPolarHBondContact O-CB 3.45Å; Q597-F600 PolarHBondContact O-N 3.17Å; S598-F600 PolarHBondContact O-N 3.34Å; F600-P602 VanDerWaalsContact C-N 3.32Å; F600-P602 VanDerWaalsContact O-N 3.13Å; F600-Y603 HydrophobicContact CD2-CD2 4.44Å; F600-Y603 PolarHBondContact O-N 3.12Å; F600-C604 HydrophobicContact CD1-CB 4.04Å; F600-C604 HydrophobicContact CE1-CB 4.41Å; F600-C604 PolarHBondContact O-N 3.4Å; F600-V607 HydrophobicContact CE1-CB 4.5Å; F600-V607 HydrophobicContact CE1-CG2 4.26Å; F600-V607 HydrophobicContact CZ-CG2 4.25Å; F600-L650 HydrophobicContact CD1-CD2 3.67Å; F600-L650 HydrophobicContact CE1-CD2 3.59Å; F600-L654 HydrophobicContact CB-CD2 4.25Å |
| 601 | L | 96.6 | Very high | 97 | Very high | 69 Ų | 69 | 38.1 Ų | 38.1 | 36% | 0.361 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.5 | -39.1 | -177.9 | -74.9 | 171 | 0 | 0 | 0 | 115.4 | S598 G599 Y603 C604 L654 H657 | S598-L601 WeakPolarHBondContact O-CB 3.47Å; S598-L601 WeakPolarHBondContact O-CD1 3.21Å; S598-L601 WeakPolarHBondContact O-CG 3.48Å; S598-L601 PolarHBondContact O-N 3.37Å; G599-L601 VanDerWaalsContact C-N 3.34Å; L601-Y603 PolarHBondContact O-N 2.99Å; L601-Y603 VanDerWaalsContact O-N 3.12Å; L601-C604 PolarHBondContact O-SG 2.95Å; L601-L654 HydrophobicContact CD2-CD2 3.84Å; L601-L654 HydrophobicContact CG-CD2 4.08Å; L601-H657 HydrophobicContact CD2-CB 3.72Å |
| 602 | P | 97.7 | Very high | 97.1 | Very high | 103 Ų | 103 | 37.4 Ų | 37.4 | 67% | 0.669 | 20% | 0.204 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -16.2 | 178.6 | -22.8 | 35.5 | 0 | 0 | 0 | 114.5 | G599 F600 | G599-P602 VanDerWaalsContact O-CD 3.29Å; G599-P602 WeakPolarHBondContact O-CD 3.46Å; F600-P602 VanDerWaalsContact C-N 3.32Å; F600-P602 VanDerWaalsContact O-N 3.13Å |
| 603 | Y | 97.3 | Very high | 97.1 | Very high | 56 Ų | 56 | 39.6 Ų | 39.6 | 22% | 0.22 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.1 | -14.1 | -172 | -47.9 | -78.8 | 0 | 0 | 0 | 113 | I561 M565 I569 F600 L601 E605 P606 V607 | I561-Y603 HydrophobicContact CG2-CE2 3.96Å; M565-Y603 HydrophobicContact CB-CE1 3.86Å; M565-Y603 HydrophobicContact CB-CE2 4.13Å; M565-Y603 HydrophobicContact CE-CD1 4.01Å; M565-Y603 HydrophobicContact CE-CD2 3.9Å; M565-Y603 HydrophobicContact CE-CE1 4.39Å; M565-Y603 HydrophobicContact CE-CE2 4.31Å; M565-Y603 HydrophobicContact CE-CG 3.74Å; M565-Y603 HydrophobicContact CG-CD2 4.22Å; M565-Y603 HydrophobicContact CG-CE1 4.3Å; M565-Y603 HydrophobicContact CG-CE2 3.68Å; I569-Y603 HydrophobicContact CD1-CD1 4.23Å; I569-Y603 HydrophobicContact CG1-CD1 4.11Å; F600-Y603 HydrophobicContact CD2-CD2 4.44Å; F600-Y603 PolarHBondContact O-N 3.12Å; L601-Y603 PolarHBondContact O-N 2.99Å; L601-Y603 VanDerWaalsContact O-N 3.12Å; Y603-E605 PolarHBondContact O-N 2.86Å; Y603-P606 WeakPolarHBondContact O-CD 3.2Å; Y603-P606 WeakPolarHBondContact O-CG 3.3Å; Y603-V607 WeakPolarHBondContact O-CG2 3.47Å |
| 604 | C | 96 | Very high | 97.2 | Very high | 11 Ų | 11 | 39.9 Ų | 39.9 | 7% | 0.074 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -69.7 | -35.6 | -165.8 | 66.2 | 0 | 0 | 0 | 0 | 115.2 | F600 L601 V607 Y608 L650 L654 L661 | F600-C604 HydrophobicContact CD1-CB 4.04Å; F600-C604 HydrophobicContact CE1-CB 4.41Å; F600-C604 PolarHBondContact O-N 3.4Å; L601-C604 PolarHBondContact O-SG 2.95Å; C604-V607 PolarHBondContact O-N 3.22Å; C604-Y608 VanDerWaalsContact O-CB 3.25Å; C604-Y608 WeakPolarHBondContact O-CB 3.08Å; C604-Y608 PolarHBondContact O-N 3.08Å; C604-L650 HydrophobicContact CB-CD2 4.28Å; C604-L654 HydrophobicContact CB-CD1 3.55Å; C604-L661 HydrophobicContact CB-CD1 4.44Å |
| 605 | E | 97.1 | Very high | 97.4 | Very high | 123 Ų | 123 | 38.5 Ų | 38.5 | 58% | 0.575 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -60.9 | -52.4 | -175 | -174.9 | 170.7 | -160.1 | 0 | 0 | 113.5 | Y603 V607 Q609 L661 | Y603-E605 PolarHBondContact O-N 2.86Å; E605-V607 VanDerWaalsContact C-N 3.32Å; E605-V607 PolarHBondContact O-N 3.19Å; E605-Q609 WeakPolarHBondContact O-CB 3.48Å; E605-Q609 PolarHBondContact O-N 3.01Å; E605-Q609 VanDerWaalsContact O-N 3.08Å; E605-L661 HydrophobicContact CB-CD2 4.2Å; E605-L661 HydrophobicContact CG-CD2 4.1Å |
| 606 | P | 97.2 | Very high | 97.5 | Very high | 76 Ų | 76 | 42.9 Ų | 42.9 | 49% | 0.494 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -65.7 | -33.9 | 176.6 | 24.9 | -34.4 | 0 | 0 | 0 | 113 | Y603 R610 | Y603-P606 WeakPolarHBondContact O-CD 3.2Å; Y603-P606 WeakPolarHBondContact O-CG 3.3Å; P606-R610 PolarHBondContact O-N 2.9Å; P606-R610 VanDerWaalsContact O-N 3.12Å |
| 607 | V | 97.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.7 | -51.5 | 178.6 | 178 | 0 | 0 | 0 | 0 | 110.6 | W572 F600 Y603 C604 E605 Q609 R610 C611 L646 L650 | W572-V607 HydrophobicContact CH2-CB 4.11Å; W572-V607 HydrophobicContact CH2-CG1 3.88Å; W572-V607 HydrophobicContact CH2-CG2 4.14Å; W572-V607 HydrophobicContact CZ2-CB 4.36Å; W572-V607 HydrophobicContact CZ2-CG2 4.19Å; W572-V607 HydrophobicContact CZ3-CG1 4.15Å; W572-V607 HydrophobicContact CZ3-CG2 4.37Å; F600-V607 HydrophobicContact CE1-CB 4.5Å; F600-V607 HydrophobicContact CE1-CG2 4.26Å; F600-V607 HydrophobicContact CZ-CG2 4.25Å; Y603-V607 WeakPolarHBondContact O-CG2 3.47Å; C604-V607 PolarHBondContact O-N 3.22Å; E605-V607 VanDerWaalsContact C-N 3.32Å; E605-V607 PolarHBondContact O-N 3.19Å; V607-Q609 VanDerWaalsContact C-N 3.34Å; V607-Q609 PolarHBondContact O-N 3.19Å; V607-R610 PolarHBondContact O-N 3.01Å; V607-C611 PolarHBondContact O-N 2.96Å; V607-C611 VanDerWaalsContact O-N 3.13Å; V607-C611 PolarHBondContact O-SG 3.49Å; V607-L646 HydrophobicContact CG1-CD1 4.33Å; V607-L646 HydrophobicContact CG1-CD2 3.61Å; V607-L646 HydrophobicContact CG1-CG 4.04Å; V607-L650 HydrophobicContact CB-CD1 4.49Å; V607-L650 HydrophobicContact CG1-CD1 3.98Å |
| 608 | Y | 98.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 43 Ų | 43 | 2% | 0.024 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.9 | -47.4 | 177.3 | -175.6 | -84.6 | 0 | 0 | 0 | 111.6 | C604 R610 C611 V612 L647 L650 V658 L661 V662 S665 I667 | C604-Y608 VanDerWaalsContact O-CB 3.25Å; C604-Y608 WeakPolarHBondContact O-CB 3.08Å; C604-Y608 PolarHBondContact O-N 3.08Å; Y608-R610 VanDerWaalsContact C-N 3.34Å; Y608-R610 PolarHBondContact O-N 3.45Å; Y608-C611 PolarHBondContact O-N 2.96Å; Y608-V612 HydrophobicContact CD1-CG2 4.03Å; Y608-V612 HydrophobicContact CE1-CG2 3.63Å; Y608-V612 WeakPolarHBondContact O-CG2 3.49Å; Y608-V612 PolarHBondContact O-N 3.29Å; Y608-V612 VanDerWaalsContact O-N 3.07Å; Y608-L647 HydrophobicContact CD2-CD2 3.33Å; Y608-L647 HydrophobicContact CE2-CD2 3.49Å; Y608-L647 VanDerWaalsContact CE2-CD2 3.49Å; Y608-L647 HydrophobicContact CG-CD2 3.92Å; Y608-L650 HydrophobicContact CD2-CD1 4.28Å; Y608-V658 HydrophobicContact CD2-CG2 4.34Å; Y608-V658 HydrophobicContact CE2-CG2 4.11Å; Y608-L661 HydrophobicContact CD1-CB 3.95Å; Y608-L661 HydrophobicContact CD2-CB 4.16Å; Y608-L661 HydrophobicContact CD2-CD1 4.14Å; Y608-L661 HydrophobicContact CE1-CB 3.97Å; Y608-L661 HydrophobicContact CE2-CB 4.17Å; Y608-L661 HydrophobicContact CG-CB 4.06Å; Y608-L661 HydrophobicContact CG-CD1 4.03Å; Y608-V662 HydrophobicContact CE2-CG2 4.4Å; Y608-V662 WeakPolarHBondContact OH-CA 3.48Å; Y608-S665 PolarHBondContact OH-OG 3.19Å; Y608-I667 WeakPolarHBondContact OH-CG2 3.47Å |
| 609 | Q | 97.9 | Very high | 97.6 | Very high | 107 Ų | 107 | 40.6 Ų | 40.6 | 50% | 0.5 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.7 | -38.3 | -177.6 | -175 | 58.5 | 49.2 | 0 | 0 | 112.6 | E605 V607 T613 | E605-Q609 WeakPolarHBondContact O-CB 3.48Å; E605-Q609 PolarHBondContact O-N 3.01Å; E605-Q609 VanDerWaalsContact O-N 3.08Å; V607-Q609 VanDerWaalsContact C-N 3.34Å; V607-Q609 PolarHBondContact O-N 3.19Å; Q609-T613 WeakPolarHBondContact O-CB 3.27Å; Q609-T613 PolarHBondContact O-N 3.44Å; Q609-T613 VanDerWaalsContact O-N 3.11Å; Q609-T613 PolarHBondContact O-OG1 3.26Å |
| 610 | R | 98.1 | Very high | 97.6 | Very high | 32 Ų | 32 | 42.3 Ų | 42.3 | 12% | 0.121 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -66.9 | -44.7 | 177.2 | -167.3 | -179.4 | -169.2 | 171.6 | 2.7 | 111.2 | W572 L575 D577 P606 V607 Y608 V612 T613 L614 | W572-R610 HydrophobicContact CH2-CB 3.79Å; W572-R610 HydrophobicContact CH2-CG 4.17Å; W572-R610 HydrophobicContact CZ2-CB 3.46Å; W572-R610 VanDerWaalsContact CZ2-CB 3.46Å; W572-R610 HydrophobicContact CZ2-CG 3.9Å; W572-R610 PolarHBondContact O-NH1 3.05Å; L575-R610 PolarHBondContact O-NH2 3.45Å; D577-R610 IonicContact OD1-CZ 2.7Å; D577-R610 IonicContact OD1-NE 3.62Å; D577-R610 PolarHBondContact OD1-NE 3.42Å; D577-R610 IonicContact OD1-NH2 2.89Å; D577-R610 PolarHBondContact OD1-NH2 3.25Å; P606-R610 PolarHBondContact O-N 2.9Å; P606-R610 VanDerWaalsContact O-N 3.12Å; V607-R610 PolarHBondContact O-N 3.01Å; Y608-R610 VanDerWaalsContact C-N 3.34Å; Y608-R610 PolarHBondContact O-N 3.45Å; R610-V612 PolarHBondContact O-N 3.26Å; R610-T613 WeakPolarHBondContact O-CA 3.02Å; R610-T613 WeakPolarHBondContact O-CB 3.44Å; R610-T613 PolarHBondContact O-N 3.49Å; R610-L614 HydrophobicContact CG-CD1 4.5Å; R610-L614 WeakPolarHBondContact O-CG 2.98Å; R610-L614 PolarHBondContact O-N 3.11Å |
| 611 | C | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.7 | -47.9 | 178.4 | -61.1 | 0 | 0 | 0 | 0 | 111.9 | V607 Y608 T613 L614 V615 A643 L647 | V607-C611 PolarHBondContact O-N 2.96Å; V607-C611 VanDerWaalsContact O-N 3.13Å; V607-C611 PolarHBondContact O-SG 3.49Å; Y608-C611 PolarHBondContact O-N 2.96Å; C611-T613 PolarHBondContact O-N 3.38Å; C611-L614 PolarHBondContact O-N 2.98Å; C611-V615 WeakPolarHBondContact O-CG2 3.3Å; C611-V615 PolarHBondContact O-N 3.04Å; C611-A643 HydrophobicContact CB-CB 3.97Å; C611-L647 HydrophobicContact CB-CD1 3.84Å; C611-L647 HydrophobicContact CB-CD2 3.88Å; C611-L647 HydrophobicContact CB-CG 3.57Å |
| 612 | V | 98.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -57.9 | -38 | 174.9 | 173.5 | 0 | 0 | 0 | 0 | 111.5 | Y608 R610 Q616 L647 I667 L670 | Y608-V612 HydrophobicContact CD1-CG2 4.03Å; Y608-V612 HydrophobicContact CE1-CG2 3.63Å; Y608-V612 WeakPolarHBondContact O-CG2 3.49Å; Y608-V612 PolarHBondContact O-N 3.29Å; Y608-V612 VanDerWaalsContact O-N 3.07Å; R610-V612 PolarHBondContact O-N 3.26Å; V612-Q616 VanDerWaalsContact O-CB 3.31Å; V612-Q616 WeakPolarHBondContact O-CB 3.26Å; V612-Q616 PolarHBondContact O-N 3.33Å; V612-L647 HydrophobicContact CG2-CD1 4.24Å; V612-L647 HydrophobicContact CG2-CD2 4.25Å; V612-I667 HydrophobicContact CG2-CD1 4.48Å; V612-L670 HydrophobicContact CG1-CD1 3.9Å |
| 613 | T | 98.1 | Very high | 97.1 | Very high | 45 Ų | 45 | 44.3 Ų | 44.3 | 28% | 0.276 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -68.3 | -41.5 | 178.4 | -56.8 | 0 | 0 | 0 | 0 | 112.1 | Q609 R610 C611 Q616 K617 | Q609-T613 WeakPolarHBondContact O-CB 3.27Å; Q609-T613 PolarHBondContact O-N 3.44Å; Q609-T613 VanDerWaalsContact O-N 3.11Å; Q609-T613 PolarHBondContact O-OG1 3.26Å; R610-T613 WeakPolarHBondContact O-CA 3.02Å; R610-T613 WeakPolarHBondContact O-CB 3.44Å; R610-T613 PolarHBondContact O-N 3.49Å; C611-T613 PolarHBondContact O-N 3.38Å; T613-Q616 PolarHBondContact O-N 3.34Å; T613-K617 HydrophobicContact CG2-CD 4.18Å; T613-K617 HydrophobicContact CG2-CG 4.38Å; T613-K617 WeakPolarHBondContact O-CB 3.43Å; T613-K617 WeakPolarHBondContact O-CG 3.27Å; T613-K617 PolarHBondContact O-N 2.89Å |
| 614 | L | 97.9 | Very high | 97 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.6 | -53 | 176.2 | -72.6 | 172.3 | 0 | 0 | 0 | 110.6 | D577 L586 R610 C611 Q616 K617 T618 A643 | D577-L614 HydrophobicContact CB-CD2 3.69Å; L586-L614 HydrophobicContact CD1-CD1 4.33Å; R610-L614 HydrophobicContact CG-CD1 4.5Å; R610-L614 WeakPolarHBondContact O-CG 2.98Å; R610-L614 PolarHBondContact O-N 3.11Å; C611-L614 PolarHBondContact O-N 2.98Å; L614-Q616 VanDerWaalsContact C-N 3.29Å; L614-Q616 PolarHBondContact O-N 2.88Å; L614-K617 PolarHBondContact O-N 3.15Å; L614-K617 VanDerWaalsContact O-N 3.14Å; L614-T618 PolarHBondContact O-N 3.26Å; L614-T618 PolarHBondContact O-OG1 3.15Å; L614-T618 VanDerWaalsContact O-OG1 3.08Å; L614-A643 HydrophobicContact CB-CB 4.02Å; L614-A643 HydrophobicContact CD1-CB 4.24Å |
| 615 | V | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -53.8 | -47.3 | 176.4 | 176 | 0 | 0 | 0 | 0 | 111 | C611 K617 T618 L619 M640 A643 L644 L670 | C611-V615 WeakPolarHBondContact O-CG2 3.3Å; C611-V615 PolarHBondContact O-N 3.04Å; V615-K617 PolarHBondContact O-N 2.91Å; V615-T618 PolarHBondContact O-N 3.29Å; V615-L619 HydrophobicContact CG1-CD1 3.92Å; V615-L619 WeakPolarHBondContact O-CB 3.39Å; V615-L619 WeakPolarHBondContact O-CG 3.39Å; V615-L619 PolarHBondContact O-N 3.27Å; V615-M640 HydrophobicContact CB-CG 4.36Å; V615-M640 HydrophobicContact CG1-CG 4.11Å; V615-M640 HydrophobicContact CG1-SD 4.29Å; V615-M640 HydrophobicContact CG2-CG 4.14Å; V615-A643 HydrophobicContact CG2-CB 3.88Å; V615-L644 HydrophobicContact CG2-CD2 4.07Å; V615-L644 HydrophobicContact CG2-CG 4.01Å; V615-L670 HydrophobicContact CB-CD1 4.47Å; V615-L670 HydrophobicContact CG1-CB 4.06Å; V615-L670 HydrophobicContact CG1-CD1 4.17Å |
| 616 | Q | 98.2 | Very high | 96.5 | Very high | 97 Ų | 97 | 48.8 Ų | 48.8 | 45% | 0.453 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -64.3 | -40.9 | -179.8 | -176.7 | 172.7 | -32.1 | 0 | 0 | 113.1 | V612 T613 L614 A620 N666 L670 | V612-Q616 VanDerWaalsContact O-CB 3.31Å; V612-Q616 WeakPolarHBondContact O-CB 3.26Å; V612-Q616 PolarHBondContact O-N 3.33Å; T613-Q616 PolarHBondContact O-N 3.34Å; L614-Q616 VanDerWaalsContact C-N 3.29Å; L614-Q616 PolarHBondContact O-N 2.88Å; Q616-A620 WeakPolarHBondContact O-CB 3.46Å; Q616-A620 PolarHBondContact O-N 3.2Å; Q616-A620 VanDerWaalsContact O-N 3.14Å; Q616-N666 PolarHBondContact OE1-ND2 3.3Å; Q616-L670 HydrophobicContact CB-CD1 4.12Å; Q616-L670 HydrophobicContact CB-CD2 4.19Å; Q616-L670 HydrophobicContact CG-CD2 4.34Å |
| 617 | K | 96.9 | Very high | 96.3 | Very high | 86 Ų | 86 | 52.6 Ų | 52.6 | 37% | 0.374 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.1 | -46.8 | 177.9 | -77.8 | 176.7 | 176.9 | 179.4 | 0 | 111.2 | D577 T613 L614 V615 A620 Q621 | D577-K617 IonicContact OD2-NZ 3.51Å; D577-K617 PolarHBondContact OD2-NZ 2.95Å; T613-K617 HydrophobicContact CG2-CD 4.18Å; T613-K617 HydrophobicContact CG2-CG 4.38Å; T613-K617 WeakPolarHBondContact O-CB 3.43Å; T613-K617 WeakPolarHBondContact O-CG 3.27Å; T613-K617 PolarHBondContact O-N 2.89Å; L614-K617 PolarHBondContact O-N 3.15Å; L614-K617 VanDerWaalsContact O-N 3.14Å; V615-K617 PolarHBondContact O-N 2.91Å; K617-A620 PolarHBondContact O-N 3.38Å; K617-Q621 WeakPolarHBondContact O-CG 3.4Å; K617-Q621 PolarHBondContact O-N 2.85Å |
| 618 | T | 97.5 | Very high | 96.1 | Very high | 7 Ų | 7 | 56.7 Ų | 56.7 | 4% | 0.043 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.2 | -45.1 | -179 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | L614 V615 A620 Q621 A622 P635 K637 M640 | L614-T618 PolarHBondContact O-N 3.26Å; L614-T618 PolarHBondContact O-OG1 3.15Å; L614-T618 VanDerWaalsContact O-OG1 3.08Å; V615-T618 PolarHBondContact O-N 3.29Å; T618-A620 PolarHBondContact O-N 2.79Å; T618-Q621 PolarHBondContact O-N 2.76Å; T618-A622 WeakPolarHBondContact O-CB 3.37Å; T618-A622 PolarHBondContact O-N 2.92Å; T618-P635 HydrophobicContact CG2-CB 4.11Å; T618-P635 HydrophobicContact CG2-CG 4.37Å; T618-K637 HydrophobicContact CG2-CG 4.33Å; T618-M640 HydrophobicContact CG2-CB 3.8Å; T618-M640 HydrophobicContact CG2-CE 4.25Å; T618-M640 HydrophobicContact CG2-SD 4.38Å |
| 619 | L | 97.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 59.7 Ų | 59.7 | 6% | 0.058 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.9 | -43 | 174.9 | -73.1 | 169.7 | 0 | 0 | 0 | 112.1 | V615 A622 M623 M640 L670 Q673 | V615-L619 HydrophobicContact CG1-CD1 3.92Å; V615-L619 WeakPolarHBondContact O-CB 3.39Å; V615-L619 WeakPolarHBondContact O-CG 3.39Å; V615-L619 PolarHBondContact O-N 3.27Å; L619-A622 PolarHBondContact O-N 2.85Å; L619-M623 WeakPolarHBondContact O-CG 3.35Å; L619-M623 PolarHBondContact O-N 3.1Å; L619-M640 HydrophobicContact CD1-SD 4.42Å; L619-M640 HydrophobicContact CD2-CE 4.49Å; L619-M640 HydrophobicContact CD2-SD 3.78Å; L619-M640 HydrophobicContact CG-SD 3.73Å; L619-L670 HydrophobicContact CD1-CB 4.41Å; L619-L670 HydrophobicContact CD1-CD2 4.06Å; L619-Q673 HydrophobicContact CD1-CB 4.13Å; L619-Q673 HydrophobicContact CD2-CB 4.27Å |
| 620 | A | 96 | Very high | 95 | Very high | 51 Ų | 51 | 62.6 Ų | 62.6 | 42% | 0.421 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q616 K617 T618 M623 M624 | Q616-A620 WeakPolarHBondContact O-CB 3.46Å; Q616-A620 PolarHBondContact O-N 3.2Å; Q616-A620 VanDerWaalsContact O-N 3.14Å; K617-A620 PolarHBondContact O-N 3.38Å; T618-A620 PolarHBondContact O-N 2.79Å; A620-M623 PolarHBondContact O-N 2.88Å; A620-M624 WeakPolarHBondContact O-CG 3.33Å; A620-M624 PolarHBondContact O-N 3.06Å; A620-M624 VanDerWaalsContact O-N 3.08Å |
| 621 | Q | 95 | Very high | 94.5 | Very high | 99 Ų | 99 | 67.6 Ų | 67.6 | 46% | 0.463 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 175.3 | -73.2 | 174 | -11.6 | 0 | 0 | 111.7 | K617 T618 M623 M624 Y625 P635 | K617-Q621 WeakPolarHBondContact O-CG 3.4Å; K617-Q621 PolarHBondContact O-N 2.85Å; T618-Q621 PolarHBondContact O-N 2.76Å; Q621-M623 VanDerWaalsContact C-N 3.3Å; Q621-M623 PolarHBondContact O-N 3.03Å; Q621-M624 PolarHBondContact O-N 3.4Å; Q621-M624 VanDerWaalsContact O-N 3.14Å; Q621-Y625 PolarHBondContact O-N 3.38Å; Q621-P635 HydrophobicContact CB-CB 3.85Å; Q621-P635 HydrophobicContact CB-CG 4.15Å |
| 622 | A | 94.9 | Very high | 93.9 | Very high | 21 Ų | 21 | 72.1 Ų | 72.1 | 17% | 0.174 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61 | -40.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | T618 L619 S626 P635 | T618-A622 WeakPolarHBondContact O-CB 3.37Å; T618-A622 PolarHBondContact O-N 2.92Å; L619-A622 PolarHBondContact O-N 2.85Å; A622-S626 WeakPolarHBondContact O-CB 3.39Å; A622-S626 PolarHBondContact O-N 3.27Å; A622-P635 HydrophobicContact CB-CG 3.78Å |
| 623 | M | 93.1 | Very high | 93.5 | Very high | 94 Ų | 94 | 80.5 Ų | 80.5 | 46% | 0.463 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.1 | -39.9 | 174.8 | -69.4 | -178.1 | -170.2 | 0 | 0 | 112.4 | L619 A620 Q621 Q627 Q673 | L619-M623 WeakPolarHBondContact O-CG 3.35Å; L619-M623 PolarHBondContact O-N 3.1Å; A620-M623 PolarHBondContact O-N 2.88Å; Q621-M623 VanDerWaalsContact C-N 3.3Å; Q621-M623 PolarHBondContact O-N 3.03Å; M623-Q627 WeakPolarHBondContact O-CG 3.16Å; M623-Q627 PolarHBondContact O-N 3.31Å; M623-Q673 VanDerWaalsContact CE-OE1 3.24Å |
| 624 | M | 93.7 | Very high | 93.1 | Very high | 93 Ų | 93 | 81.2 Ų | 81.2 | 46% | 0.458 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 176.2 | -73.8 | -177.7 | 151.4 | 0 | 0 | 111.6 | A620 Q621 S626 Q627 Q628 Y632 | A620-M624 WeakPolarHBondContact O-CG 3.33Å; A620-M624 PolarHBondContact O-N 3.06Å; A620-M624 VanDerWaalsContact O-N 3.08Å; Q621-M624 PolarHBondContact O-N 3.4Å; Q621-M624 VanDerWaalsContact O-N 3.14Å; M624-S626 PolarHBondContact O-N 2.96Å; M624-Q627 PolarHBondContact O-N 3.01Å; M624-Q628 PolarHBondContact O-N 3.48Å; M624-Y632 HydrophobicContact CB-CD1 4.12Å; M624-Y632 HydrophobicContact CB-CD2 3.95Å; M624-Y632 HydrophobicContact CB-CE1 4.38Å; M624-Y632 HydrophobicContact CB-CE2 4.22Å; M624-Y632 HydrophobicContact CB-CG 3.9Å; M624-Y632 HydrophobicContact SD-CD1 4.24Å; M624-Y632 HydrophobicContact SD-CE1 3.84Å |
| 625 | Y | 93.1 | Very high | 92.9 | Very high | 95 Ų | 95 | 81.9 Ų | 81.9 | 37% | 0.373 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57.5 | -48.9 | 174.8 | 174.9 | -109.3 | 0 | 0 | 0 | 111.7 | Q621 Q627 Q628 P629 Y632 A634 | Q621-Y625 PolarHBondContact O-N 3.38Å; Y625-Q627 PolarHBondContact O-N 3.47Å; Y625-Q628 CarbonylContact O-C 3.59Å; Y625-Q628 PolarHBondContact O-N 3.44Å; Y625-P629 HydrophobicContact CD2-CB 4.32Å; Y625-P629 HydrophobicContact CE2-CB 3.88Å; Y625-P629 WeakPolarHBondContact O-CA 3.46Å; Y625-P629 VanDerWaalsContact O-CD 3.24Å; Y625-P629 WeakPolarHBondContact O-CD 3.26Å; Y625-P629 VanDerWaalsContact O-CG 3.28Å; Y625-P629 WeakPolarHBondContact O-CG 3.24Å; Y625-Y632 VanDerWaalsContact CD2-O 3.27Å; Y625-Y632 WeakPolarHBondContact CD2-O 3.14Å; Y625-A634 HydrophobicContact CD1-CB 3.99Å; Y625-A634 HydrophobicContact CD2-CB 4.17Å; Y625-A634 HydrophobicContact CE1-CB 3.87Å; Y625-A634 HydrophobicContact CE2-CB 4.06Å; Y625-A634 HydrophobicContact CG-CB 4.14Å |
| 626 | S | 91.2 | Very high | 92.7 | Very high | 96 Ų | 96 | 84.4 Ų | 84.4 | 67% | 0.671 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.1 | -28.3 | 180 | -179.9 | 0 | 0 | 0 | 0 | 113.5 | A622 M624 | A622-S626 WeakPolarHBondContact O-CB 3.39Å; A622-S626 PolarHBondContact O-N 3.27Å; M624-S626 PolarHBondContact O-N 2.96Å |
| 627 | Q | 93 | Very high | 92.5 | Very high | 156 Ų | 156 | 81.2 Ų | 81.2 | 73% | 0.729 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -86.6 | -35.1 | 178.2 | -70.2 | 177.1 | 25.4 | 0 | 0 | 112.7 | M623 M624 Y625 | M623-Q627 WeakPolarHBondContact O-CG 3.16Å; M623-Q627 PolarHBondContact O-N 3.31Å; M624-Q627 PolarHBondContact O-N 3.01Å; Y625-Q627 PolarHBondContact O-N 3.47Å |
| 628 | Q | 91.7 | Very high | 92.4 | Very high | 85 Ų | 85 | 78 Ų | 78 | 40% | 0.397 | 41% | 0.409 | S | S | . | . | trans | -141 | 73.7 | -176.4 | -65 | -177.7 | -24.5 | 0 | 0 | 111.6 | M624 Y625 D630 Q631 Y632 | M624-Q628 PolarHBondContact O-N 3.48Å; Y625-Q628 CarbonylContact O-C 3.59Å; Y625-Q628 PolarHBondContact O-N 3.44Å; Q628-D630 PolarHBondContact O-N 2.87Å; Q628-D630 VanDerWaalsContact O-N 3.15Å; Q628-Q631 HydrophobicContact CB-CB 4.23Å; Q628-Q631 PolarHBondContact O-N 3.32Å; Q628-Y632 HydrophobicContact CB-CD2 4.01Å; Q628-Y632 HydrophobicContact CB-CE2 4.19Å; Q628-Y632 PolarHBondContact O-N 3.08Å | ||
| 629 | P | 87.9 | Confident | 92.3 | Very high | 69 Ų | 69 | 78.6 Ų | 78.6 | 45% | 0.448 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -23.9 | -176.7 | -22.2 | 31.9 | 0 | 0 | 0 | 114.3 | Y625 Q631 | Y625-P629 HydrophobicContact CD2-CB 4.32Å; Y625-P629 HydrophobicContact CE2-CB 3.88Å; Y625-P629 WeakPolarHBondContact O-CA 3.46Å; Y625-P629 VanDerWaalsContact O-CD 3.24Å; Y625-P629 WeakPolarHBondContact O-CD 3.26Å; Y625-P629 VanDerWaalsContact O-CG 3.28Å; Y625-P629 WeakPolarHBondContact O-CG 3.24Å; P629-Q631 VanDerWaalsContact C-N 3.33Å |
| 630 | D | 86.1 | Confident | 92.3 | Very high | 168 Ų | 168 | 78.1 Ų | 78.1 | 90% | 0.898 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -12.1 | 179.3 | -57.6 | -42.4 | 0 | 0 | 0 | 113.4 | Q628 | Q628-D630 PolarHBondContact O-N 2.87Å; Q628-D630 VanDerWaalsContact O-N 3.15Å |
| 631 | Q | 87.1 | Confident | 92.3 | Very high | 137 Ų | 137 | 75.7 Ų | 75.7 | 64% | 0.64 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.4 | -27.6 | -175.1 | -66.8 | -175.8 | 31 | 0 | 0 | 113.9 | Q628 P629 | Q628-Q631 HydrophobicContact CB-CB 4.23Å; Q628-Q631 PolarHBondContact O-N 3.32Å; P629-Q631 VanDerWaalsContact C-N 3.33Å |
| 632 | Y | 87.3 | Confident | 92.4 | Very high | 95 Ų | 95 | 71.1 Ų | 71.1 | 37% | 0.373 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -119.2 | 148.4 | -179.9 | -60.7 | -83.7 | 0 | 0 | 0 | 109.2 | M624 Y625 Q628 | M624-Y632 HydrophobicContact CB-CD1 4.12Å; M624-Y632 HydrophobicContact CB-CD2 3.95Å; M624-Y632 HydrophobicContact CB-CE1 4.38Å; M624-Y632 HydrophobicContact CB-CE2 4.22Å; M624-Y632 HydrophobicContact CB-CG 3.9Å; M624-Y632 HydrophobicContact SD-CD1 4.24Å; M624-Y632 HydrophobicContact SD-CE1 3.84Å; Y625-Y632 VanDerWaalsContact CD2-O 3.27Å; Y625-Y632 WeakPolarHBondContact CD2-O 3.14Å; Q628-Y632 HydrophobicContact CB-CD2 4.01Å; Q628-Y632 HydrophobicContact CB-CE2 4.19Å; Q628-Y632 PolarHBondContact O-N 3.08Å |
| 633 | E | 88.6 | Confident | 92.5 | Very high | 179 Ų | 179 | 70.1 Ų | 70.1 | 84% | 0.836 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -84.1 | 151.1 | 171.7 | -66.7 | 177.2 | 176.9 | 0 | 0 | 109.7 | ||
| 634 | A | 90.2 | Very high | 92.8 | Very high | 60 Ų | 60 | 65.6 Ų | 65.6 | 50% | 0.496 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 132.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | Y625 | Y625-A634 HydrophobicContact CD1-CB 3.99Å; Y625-A634 HydrophobicContact CD2-CB 4.17Å; Y625-A634 HydrophobicContact CE1-CB 3.87Å; Y625-A634 HydrophobicContact CE2-CB 4.06Å; Y625-A634 HydrophobicContact CG-CB 4.14Å |
| 635 | P | 93.8 | Very high | 92.9 | Very high | 20 Ų | 20 | 61.5 Ų | 61.5 | 13% | 0.13 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -72.4 | 148.5 | 178.9 | 32 | -36.6 | 0 | 0 | 0 | 111 | T618 Q621 A622 K637 | T618-P635 HydrophobicContact CG2-CB 4.11Å; T618-P635 HydrophobicContact CG2-CG 4.37Å; Q621-P635 HydrophobicContact CB-CB 3.85Å; Q621-P635 HydrophobicContact CB-CG 4.15Å; A622-P635 HydrophobicContact CB-CG 3.78Å; P635-K637 PolarHBondContact O-N 2.9Å |
| 636 | D | 93.6 | Very high | 93.1 | Very high | 53 Ų | 53 | 57 Ų | 57 | 28% | 0.283 | 30% | 0.299 | S | S | . | . | trans | -73.2 | 113.4 | 166.7 | -167.2 | -21.3 | 0 | 0 | 0 | 108.7 | K580 D638 F639 | K580-D636 VanDerWaalsContact CE-OD2 3.26Å; K580-D636 WeakPolarHBondContact CE-OD2 3.35Å; K580-D636 IonicContact NZ-OD2 3.99Å; K580-D636 PolarHBondContact NZ-OD2 3.19Å; D636-D638 VanDerWaalsContact C-N 3.3Å; D636-D638 WeakPolarHBondContact OD1-CB 3.48Å; D636-D638 PolarHBondContact OD1-N 3.46Å; D636-D638 VanDerWaalsContact OD1-N 3.15Å; D636-F639 HydrophobicContact CB-CD2 4.02Å; D636-F639 HydrophobicContact CB-CE2 4.16Å | ||
| 637 | K | 95.4 | Very high | 93.5 | Very high | 31 Ų | 31 | 52.6 Ų | 52.6 | 14% | 0.135 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -80.7 | -11.7 | -174.4 | -69.1 | -167.5 | -176.4 | -168.1 | 0 | 112.7 | T618 P635 F639 M640 I641 D677 M679 V682 | T618-K637 HydrophobicContact CG2-CG 4.33Å; P635-K637 PolarHBondContact O-N 2.9Å; K637-F639 PolarHBondContact O-N 3.45Å; K637-M640 HydrophobicContact CB-CE 4.27Å; K637-M640 HydrophobicContact CD-CE 4.08Å; K637-M640 HydrophobicContact CG-CE 4.18Å; K637-M640 WeakPolarHBondContact O-CA 3.32Å; K637-M640 WeakPolarHBondContact O-CB 3.35Å; K637-M640 PolarHBondContact O-N 3.14Å; K637-I641 WeakPolarHBondContact O-CG1 3.42Å; K637-I641 PolarHBondContact O-N 3Å; K637-D677 IonicContact NZ-OD1 3.18Å; K637-D677 PolarHBondContact NZ-OD1 2.69Å; K637-D677 IonicContact NZ-OD2 2.7Å; K637-D677 PolarHBondContact NZ-OD2 3.4Å; K637-M679 HydrophobicContact CB-CE 4.32Å; K637-M679 HydrophobicContact CB-SD 3.58Å; K637-M679 VanDerWaalsContact CB-SD 3.58Å; K637-M679 HydrophobicContact CD-CB 4.18Å; K637-M679 HydrophobicContact CD-CE 4.27Å; K637-M679 HydrophobicContact CD-SD 3.76Å; K637-M679 HydrophobicContact CG-SD 4.22Å; K637-V682 HydrophobicContact CB-CG2 4.26Å; K637-V682 HydrophobicContact CD-CG2 4.11Å |
| 638 | D | 94.1 | Very high | 93.7 | Very high | 18 Ų | 18 | 45.1 Ų | 45.1 | 10% | 0.096 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.4 | -37 | 177.8 | -70.4 | 4.7 | 0 | 0 | 0 | 111.6 | F337 H338 F583 D636 M640 I641 V642 | F337-D638 WeakPolarHBondContact CA-OD2 3.46Å; F337-D638 WeakPolarHBondContact CB-OD2 3.43Å; F337-D638 WeakPolarHBondContact CD1-OD2 3.35Å; H338-D638 HydrophobicContact CB-CB 4.16Å; H338-D638 PolarHBondContact N-OD2 3.46Å; F583-D638 HydrophobicContact CE1-CB 3.94Å; F583-D638 HydrophobicContact CE2-CB 3.92Å; F583-D638 HydrophobicContact CZ-CB 3.52Å; D636-D638 VanDerWaalsContact C-N 3.3Å; D636-D638 WeakPolarHBondContact OD1-CB 3.48Å; D636-D638 PolarHBondContact OD1-N 3.46Å; D636-D638 VanDerWaalsContact OD1-N 3.15Å; D638-M640 PolarHBondContact O-N 2.91Å; D638-I641 PolarHBondContact O-N 3.07Å; D638-I641 VanDerWaalsContact O-N 3.15Å; D638-V642 WeakPolarHBondContact O-CG1 3.11Å; D638-V642 PolarHBondContact O-N 3.11Å |
| 639 | F | 95.5 | Very high | 93.9 | Very high | 19 Ų | 19 | 41.1 Ų | 41.1 | 8% | 0.083 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58 | -35.4 | 173.1 | -72.7 | -78.9 | 0 | 0 | 0 | 113.3 | D577 E578 D579 K580 L582 F583 D636 K637 A643 | D577-F639 VanDerWaalsContact O-CD1 3.32Å; D577-F639 WeakPolarHBondContact O-CD1 3.43Å; D577-F639 WeakPolarHBondContact O-CE1 3.41Å; E578-F639 VanDerWaalsContact C-CZ 3.49Å; D579-F639 WeakPolarHBondContact O-CE1 3.45Å; K580-F639 HydrophobicContact CG-CZ 4.31Å; L582-F639 HydrophobicContact CB-CE1 4.44Å; L582-F639 HydrophobicContact CD1-CD1 4.4Å; L582-F639 HydrophobicContact CD1-CE1 4.16Å; F583-F639 HydrophobicContact CD1-CD1 4.48Å; F583-F639 HydrophobicContact CD1-CE1 4.46Å; F583-F639 AromaticContact CE1-CD1 3.63Å; F583-F639 HydrophobicContact CE1-CD1 3.63Å; F583-F639 AromaticContact CE1-CD2 3.95Å; F583-F639 HydrophobicContact CE1-CD2 3.95Å; F583-F639 AromaticContact CE1-CE1 3.64Å; F583-F639 HydrophobicContact CE1-CE1 3.64Å; F583-F639 AromaticContact CE1-CE2 3.96Å; F583-F639 HydrophobicContact CE1-CE2 3.96Å; F583-F639 AromaticContact CE1-CG 3.78Å; F583-F639 HydrophobicContact CE1-CG 3.78Å; F583-F639 AromaticContact CE1-CZ 3.8Å; F583-F639 HydrophobicContact CE1-CZ 3.8Å; F583-F639 HydrophobicContact CZ-CD1 4.45Å; F583-F639 HydrophobicContact CZ-CD2 4.04Å; F583-F639 HydrophobicContact CZ-CE1 4.23Å; F583-F639 AromaticContact CZ-CE2 3.81Å; F583-F639 HydrophobicContact CZ-CE2 3.81Å; F583-F639 HydrophobicContact CZ-CG 4.35Å; F583-F639 AromaticContact CZ-CZ 3.9Å; F583-F639 HydrophobicContact CZ-CZ 3.9Å; D636-F639 HydrophobicContact CB-CD2 4.02Å; D636-F639 HydrophobicContact CB-CE2 4.16Å; K637-F639 PolarHBondContact O-N 3.45Å; F639-A643 WeakPolarHBondContact O-CB 3.3Å; F639-A643 PolarHBondContact O-N 3.27Å |
| 640 | M | 96.9 | Very high | 94.4 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -76.2 | -41.3 | 177.2 | 173.7 | 171.6 | 60.8 | 0 | 0 | 110.7 | V615 T618 L619 K637 D638 A643 L644 V682 | V615-M640 HydrophobicContact CB-CG 4.36Å; V615-M640 HydrophobicContact CG1-CG 4.11Å; V615-M640 HydrophobicContact CG1-SD 4.29Å; V615-M640 HydrophobicContact CG2-CG 4.14Å; T618-M640 HydrophobicContact CG2-CB 3.8Å; T618-M640 HydrophobicContact CG2-CE 4.25Å; T618-M640 HydrophobicContact CG2-SD 4.38Å; L619-M640 HydrophobicContact CD1-SD 4.42Å; L619-M640 HydrophobicContact CD2-CE 4.49Å; L619-M640 HydrophobicContact CD2-SD 3.78Å; L619-M640 HydrophobicContact CG-SD 3.73Å; K637-M640 HydrophobicContact CB-CE 4.27Å; K637-M640 HydrophobicContact CD-CE 4.08Å; K637-M640 HydrophobicContact CG-CE 4.18Å; K637-M640 WeakPolarHBondContact O-CA 3.32Å; K637-M640 WeakPolarHBondContact O-CB 3.35Å; K637-M640 PolarHBondContact O-N 3.14Å; D638-M640 PolarHBondContact O-N 2.91Å; M640-A643 PolarHBondContact O-N 3.4Å; M640-L644 HydrophobicContact CG-CD1 4.05Å; M640-L644 HydrophobicContact CG-CG 4.5Å; M640-L644 VanDerWaalsContact O-CG 3.23Å; M640-L644 WeakPolarHBondContact O-CG 3.27Å; M640-L644 PolarHBondContact O-N 3.41Å; M640-V682 HydrophobicContact CE-CB 4.09Å; M640-V682 HydrophobicContact CE-CG1 3.42Å; M640-V682 VanDerWaalsContact CE-CG1 3.42Å; M640-V682 HydrophobicContact CE-CG2 3.46Å; M640-V682 VanDerWaalsContact CE-CG2 3.46Å; M640-V682 HydrophobicContact SD-CG1 4.13Å |
| 641 | I | 96.8 | Very high | 94.9 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.4 | -52.7 | 179.8 | -60.6 | 164.9 | 0 | 0 | 0 | 110 | H338 S340 K637 D638 A643 L644 D645 M679 E681 V682 S685 | H338-I641 WeakPolarHBondContact CD2-CG2 3.36Å; H338-I641 WeakPolarHBondContact NE2-CG2 3.44Å; S340-I641 WeakPolarHBondContact OG-CG2 3.49Å; K637-I641 WeakPolarHBondContact O-CG1 3.42Å; K637-I641 PolarHBondContact O-N 3Å; D638-I641 PolarHBondContact O-N 3.07Å; D638-I641 VanDerWaalsContact O-N 3.15Å; I641-A643 VanDerWaalsContact C-N 3.26Å; I641-A643 PolarHBondContact O-N 2.93Å; I641-L644 WeakPolarHBondContact O-CB 3.42Å; I641-L644 PolarHBondContact O-N 3.43Å; I641-D645 PolarHBondContact O-N 3.43Å; I641-M679 HydrophobicContact CD1-SD 4.09Å; I641-E681 HydrophobicContact CD1-CB 3.61Å; I641-E681 HydrophobicContact CG1-CB 4.41Å; I641-V682 HydrophobicContact CD1-CG2 4.06Å; I641-V682 HydrophobicContact CG1-CG2 3.72Å; I641-S685 VanDerWaalsContact CG2-OG 3.26Å; I641-S685 WeakPolarHBondContact CG2-OG 3.33Å |
| 642 | V | 95.4 | Very high | 95.3 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -64.3 | -32.8 | -179 | 74.3 | 0 | 0 | 0 | 0 | 112.5 | H338 F583 L586 E587 D638 D645 L646 | H338-V642 HydrophobicContact CB-CB 4.29Å; H338-V642 PolarHBondContact CD2-N 3.36Å; H338-V642 VanDerWaalsContact CD2-N 3.26Å; H338-V642 VanDerWaalsContact NE2-CA 3.33Å; H338-V642 WeakPolarHBondContact NE2-CA 3.41Å; H338-V642 PolarHBondContact NE2-N 2.79Å; F583-V642 HydrophobicContact CD1-CG1 4.02Å; L586-V642 HydrophobicContact CB-CG1 4.44Å; L586-V642 HydrophobicContact CB-CG2 3.49Å; L586-V642 VanDerWaalsContact CB-CG2 3.49Å; L586-V642 HydrophobicContact CD1-CG1 4.13Å; L586-V642 HydrophobicContact CG-CG2 4.44Å; E587-V642 HydrophobicContact CG-CG2 4.14Å; D638-V642 WeakPolarHBondContact O-CG1 3.11Å; D638-V642 PolarHBondContact O-N 3.11Å; V642-D645 PolarHBondContact O-N 3.46Å; V642-L646 WeakPolarHBondContact O-CB 3.4Å; V642-L646 PolarHBondContact O-N 3.12Å |
| 643 | A | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.5 | -37.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C611 L614 V615 F639 M640 I641 L647 | C611-A643 HydrophobicContact CB-CB 3.97Å; L614-A643 HydrophobicContact CB-CB 4.02Å; L614-A643 HydrophobicContact CD1-CB 4.24Å; V615-A643 HydrophobicContact CG2-CB 3.88Å; F639-A643 WeakPolarHBondContact O-CB 3.3Å; F639-A643 PolarHBondContact O-N 3.27Å; M640-A643 PolarHBondContact O-N 3.4Å; I641-A643 VanDerWaalsContact C-N 3.26Å; I641-A643 PolarHBondContact O-N 2.93Å; A643-L647 WeakPolarHBondContact O-CB 3.5Å; A643-L647 WeakPolarHBondContact O-CD1 3.36Å; A643-L647 WeakPolarHBondContact O-CG 3.32Å; A643-L647 PolarHBondContact O-N 3.21Å |
| 644 | L | 98.4 | Very high | 95.9 | Very high | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.6 | -41.2 | 174.1 | -72.2 | 167.7 | 0 | 0 | 0 | 111 | V615 M640 I641 L647 S648 L671 C674 V682 L689 | V615-L644 HydrophobicContact CG2-CD2 4.07Å; V615-L644 HydrophobicContact CG2-CG 4.01Å; M640-L644 HydrophobicContact CG-CD1 4.05Å; M640-L644 HydrophobicContact CG-CG 4.5Å; M640-L644 VanDerWaalsContact O-CG 3.23Å; M640-L644 WeakPolarHBondContact O-CG 3.27Å; M640-L644 PolarHBondContact O-N 3.41Å; I641-L644 WeakPolarHBondContact O-CB 3.42Å; I641-L644 PolarHBondContact O-N 3.43Å; L644-L647 WeakPolarHBondContact O-CB 3.42Å; L644-L647 PolarHBondContact O-N 3.12Å; L644-S648 PolarHBondContact O-N 2.63Å; L644-L671 HydrophobicContact CD2-CD2 4.34Å; L644-C674 HydrophobicContact CD1-CB 4.24Å; L644-V682 HydrophobicContact CD1-CG1 4.44Å; L644-L689 HydrophobicContact CD2-CD2 3.74Å |
| 645 | D | 96.8 | Very high | 96.1 | Very high | 7 Ų | 7 | 12.8 Ų | 12.8 | 4% | 0.037 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -68.7 | -40.2 | 179.9 | -74.1 | -5.8 | 0 | 0 | 0 | 111.9 | H338 R341 S590 I641 V642 L647 S648 G649 S685 | H338-D645 IonicContact CE1-OD2 3.86Å; H338-D645 IonicContact NE2-OD2 3.33Å; H338-D645 PolarHBondContact NE2-OD2 3.01Å; R341-D645 HydrophobicContact CB-CB 4.48Å; R341-D645 WeakPolarHBondContact CB-OD2 3.45Å; R341-D645 PolarHBondContact N-OD2 3.14Å; S590-D645 PolarHBondContact OG-O 2.98Å; I641-D645 PolarHBondContact O-N 3.43Å; V642-D645 PolarHBondContact O-N 3.46Å; D645-L647 PolarHBondContact O-N 2.87Å; D645-S648 WeakPolarHBondContact O-CB 3.49Å; D645-S648 PolarHBondContact O-N 3.17Å; D645-S648 VanDerWaalsContact O-N 3.14Å; D645-G649 PolarHBondContact O-N 2.88Å; D645-S685 VanDerWaalsContact CG-OG 3.26Å; D645-S685 WeakPolarHBondContact OD1-CA 3.44Å; D645-S685 WeakPolarHBondContact OD1-CB 3.33Å; D645-S685 PolarHBondContact OD1-OG 2.77Å; D645-S685 PolarHBondContact OD2-OG 3.46Å |
| 646 | L | 97.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 14.3 Ų | 14.3 | 1% | 0.005 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -65.9 | -36 | 171.7 | 179 | 53.4 | 0 | 0 | 0 | 112.4 | W572 L586 L589 V607 V642 S648 G649 L650 | W572-L646 HydrophobicContact CZ3-CD2 4.3Å; L586-L646 HydrophobicContact CB-CD2 4.11Å; L586-L646 HydrophobicContact CD1-CD2 4.01Å; L586-L646 HydrophobicContact CD2-CD2 4Å; L586-L646 HydrophobicContact CG-CD2 4.24Å; L589-L646 HydrophobicContact CB-CD1 3.96Å; L589-L646 HydrophobicContact CB-CD2 4.23Å; V607-L646 HydrophobicContact CG1-CD1 4.33Å; V607-L646 HydrophobicContact CG1-CD2 3.61Å; V607-L646 HydrophobicContact CG1-CG 4.04Å; V642-L646 WeakPolarHBondContact O-CB 3.4Å; V642-L646 PolarHBondContact O-N 3.12Å; L646-S648 VanDerWaalsContact C-N 3.28Å; L646-S648 PolarHBondContact O-N 3.31Å; L646-G649 PolarHBondContact O-N 3.46Å; L646-L650 HydrophobicContact CD1-CG 4.45Å; L646-L650 WeakPolarHBondContact O-CB 3.48Å; L646-L650 WeakPolarHBondContact O-CG 3.23Å; L646-L650 PolarHBondContact O-N 3.03Å |
| 647 | L | 98.6 | Very high | 96.2 | Very high | 2 Ų | 2 | 17 Ų | 17 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -63.8 | -36 | 171.8 | -74.5 | 167.1 | 0 | 0 | 0 | 111.7 | Y608 C611 V612 A643 L644 D645 L650 A651 I667 L689 | Y608-L647 HydrophobicContact CD2-CD2 3.33Å; Y608-L647 HydrophobicContact CE2-CD2 3.49Å; Y608-L647 VanDerWaalsContact CE2-CD2 3.49Å; Y608-L647 HydrophobicContact CG-CD2 3.92Å; C611-L647 HydrophobicContact CB-CD1 3.84Å; C611-L647 HydrophobicContact CB-CD2 3.88Å; C611-L647 HydrophobicContact CB-CG 3.57Å; V612-L647 HydrophobicContact CG2-CD1 4.24Å; V612-L647 HydrophobicContact CG2-CD2 4.25Å; A643-L647 WeakPolarHBondContact O-CB 3.5Å; A643-L647 WeakPolarHBondContact O-CD1 3.36Å; A643-L647 WeakPolarHBondContact O-CG 3.32Å; A643-L647 PolarHBondContact O-N 3.21Å; L644-L647 WeakPolarHBondContact O-CB 3.42Å; L644-L647 PolarHBondContact O-N 3.12Å; D645-L647 PolarHBondContact O-N 2.87Å; L647-L650 PolarHBondContact O-N 2.77Å; L647-A651 WeakPolarHBondContact O-CB 3.46Å; L647-A651 PolarHBondContact O-N 3.03Å; L647-I667 HydrophobicContact CD1-CD1 3.93Å; L647-L689 HydrophobicContact CB-CD1 3.83Å; L647-L689 HydrophobicContact CB-CD2 3.85Å; L647-L689 HydrophobicContact CD1-CD2 4.21Å |
| 648 | S | 97.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.8 | -49.8 | 174.2 | 158.3 | 0 | 0 | 0 | 0 | 110 | R341 L644 D645 L646 L650 A651 E652 D692 | R341-S648 PolarHBondContact NH1-OG 3.1Å; R341-S648 VanDerWaalsContact NH1-OG 3.15Å; L644-S648 PolarHBondContact O-N 2.63Å; D645-S648 WeakPolarHBondContact O-CB 3.49Å; D645-S648 PolarHBondContact O-N 3.17Å; D645-S648 VanDerWaalsContact O-N 3.14Å; L646-S648 VanDerWaalsContact C-N 3.28Å; L646-S648 PolarHBondContact O-N 3.31Å; S648-L650 VanDerWaalsContact C-N 3.31Å; S648-L650 PolarHBondContact O-N 2.85Å; S648-A651 PolarHBondContact O-N 3.35Å; S648-E652 WeakPolarHBondContact O-CB 3.46Å; S648-E652 PolarHBondContact O-N 3.33Å; S648-D692 PolarHBondContact OG-OD2 3.46Å |
| 649 | G | 95.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.5 | -38.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | T594 D645 L646 E652 G653 | T594-G649 PolarHBondContact OG1-O 2.83Å; D645-G649 PolarHBondContact O-N 2.88Å; L646-G649 PolarHBondContact O-N 3.46Å; G649-E652 PolarHBondContact O-N 2.79Å; G649-G653 PolarHBondContact O-N 2.9Å |
| 650 | L | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 172.5 | -74.7 | 174.9 | 0 | 0 | 0 | 112.5 | A593 F600 C604 V607 Y608 L646 L647 S648 E652 L654 | A593-L650 HydrophobicContact CB-CD2 3.94Å; F600-L650 HydrophobicContact CD1-CD2 3.67Å; F600-L650 HydrophobicContact CE1-CD2 3.59Å; C604-L650 HydrophobicContact CB-CD2 4.28Å; V607-L650 HydrophobicContact CB-CD1 4.49Å; V607-L650 HydrophobicContact CG1-CD1 3.98Å; Y608-L650 HydrophobicContact CD2-CD1 4.28Å; L646-L650 HydrophobicContact CD1-CG 4.45Å; L646-L650 WeakPolarHBondContact O-CB 3.48Å; L646-L650 WeakPolarHBondContact O-CG 3.23Å; L646-L650 PolarHBondContact O-N 3.03Å; L647-L650 PolarHBondContact O-N 2.77Å; S648-L650 VanDerWaalsContact C-N 3.31Å; S648-L650 PolarHBondContact O-N 2.85Å; L650-E652 VanDerWaalsContact C-N 3.34Å; L650-L654 HydrophobicContact CB-CD1 4.47Å; L650-L654 HydrophobicContact CD2-CD1 4.14Å; L650-L654 WeakPolarHBondContact O-CB 3.37Å; L650-L654 VanDerWaalsContact O-CG 3.26Å; L650-L654 WeakPolarHBondContact O-CG 3.44Å; L650-L654 PolarHBondContact O-N 3.36Å |
| 651 | A | 97.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.008 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -66 | -38.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L647 S648 G655 D692 L693 | L647-A651 WeakPolarHBondContact O-CB 3.46Å; L647-A651 PolarHBondContact O-N 3.03Å; S648-A651 PolarHBondContact O-N 3.35Å; A651-G655 VanDerWaalsContact O-CA 3.3Å; A651-G655 WeakPolarHBondContact O-CA 3.25Å; A651-G655 PolarHBondContact O-N 3.41Å; A651-D692 HydrophobicContact CB-CB 3.79Å; A651-L693 HydrophobicContact CB-CD2 3.82Å; A651-L693 HydrophobicContact CB-CG 4.36Å |
| 652 | E | 94.8 | Very high | 96.3 | Very high | 75 Ų | 75 | 21.7 Ų | 21.7 | 35% | 0.35 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -66.6 | -54.5 | 175.5 | -173.6 | 175.9 | -179 | 0 | 0 | 111.9 | R341 T594 S648 G649 L650 | R341-E652 IonicContact CZ-OE2 2.75Å; R341-E652 VanDerWaalsContact CZ-OE2 3.26Å; R341-E652 IonicContact NH1-OE2 3.03Å; R341-E652 PolarHBondContact NH1-OE2 3.18Å; R341-E652 IonicContact NH2-OE1 2.83Å; R341-E652 IonicContact NH2-OE2 3.44Å; R341-E652 PolarHBondContact NH2-OE2 3.39Å; T594-E652 HydrophobicContact CG2-CG 4.09Å; S648-E652 WeakPolarHBondContact O-CB 3.46Å; S648-E652 PolarHBondContact O-N 3.33Å; G649-E652 PolarHBondContact O-N 2.79Å; L650-E652 VanDerWaalsContact C-N 3.34Å |
| 653 | G | 93.8 | Very high | 96.4 | Very high | 10 Ų | 10 | 24.4 Ų | 24.4 | 10% | 0.103 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -67.8 | -45.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q597 G649 | Q597-G653 CarbonylContact C-O 3.3Å; Q597-G653 WeakPolarHBondContact CA-O 3.3Å; Q597-G653 WeakPolarHBondContact CB-O 3.42Å; G649-G653 PolarHBondContact O-N 2.9Å |
| 654 | L | 96.2 | Very high | 96.3 | Very high | 6 Ų | 6 | 34.2 Ų | 34.2 | 3% | 0.031 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -80.2 | -21.3 | -178.1 | -59.1 | 176.6 | 0 | 0 | 0 | 112.8 | Q597 F600 L601 C604 L650 G656 H657 | Q597-L654 WeakPolarHBondContact O-CD2 3.21Å; F600-L654 HydrophobicContact CB-CD2 4.25Å; L601-L654 HydrophobicContact CD2-CD2 3.84Å; L601-L654 HydrophobicContact CG-CD2 4.08Å; C604-L654 HydrophobicContact CB-CD1 3.55Å; L650-L654 HydrophobicContact CB-CD1 4.47Å; L650-L654 HydrophobicContact CD2-CD1 4.14Å; L650-L654 WeakPolarHBondContact O-CB 3.37Å; L650-L654 VanDerWaalsContact O-CG 3.26Å; L650-L654 WeakPolarHBondContact O-CG 3.44Å; L650-L654 PolarHBondContact O-N 3.36Å; L654-G656 PolarHBondContact O-N 2.65Å; L654-H657 HydrophobicContact CB-CB 4.24Å; L654-H657 WeakPolarHBondContact O-CB 3.32Å; L654-H657 PolarHBondContact O-CD2 3.12Å; L654-H657 PolarHBondContact O-N 3.48Å; L654-H657 VanDerWaalsContact O-N 3.14Å |
| 655 | G | 94.7 | Very high | 96.2 | Very high | 22 Ų | 22 | 35.8 Ų | 35.8 | 23% | 0.227 | 20% | 0.204 | C | C | . | . | G | 310 helix | trans | 49.8 | -131.3 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A651 H657 V658 | A651-G655 VanDerWaalsContact O-CA 3.3Å; A651-G655 WeakPolarHBondContact O-CA 3.25Å; A651-G655 PolarHBondContact O-N 3.41Å; G655-H657 PolarHBondContact O-N 2.92Å; G655-V658 VanDerWaalsContact O-CG1 3.3Å; G655-V658 WeakPolarHBondContact O-CG1 3.44Å; G655-V658 PolarHBondContact O-N 3.05Å |
| 656 | G | 93.6 | Very high | 96.2 | Very high | 52 Ų | 52 | 38.3 Ų | 38.3 | 54% | 0.536 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -58.7 | -13.7 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | L654 V658 D659 A696 | L654-G656 PolarHBondContact O-N 2.65Å; G656-V658 PolarHBondContact O-N 3.08Å; G656-D659 WeakPolarHBondContact O-CB 3.26Å; G656-D659 PolarHBondContact O-N 2.84Å; G656-A696 WeakPolarHBondContact CA-O 3.45Å |
| 657 | H | 95.4 | Very high | 96.3 | Very high | 110 Ų | 110 | 38.3 Ų | 38.3 | 51% | 0.509 | 22% | 0.217 | S | C | . | . | G | 310 helix | trans | -69.8 | -20.9 | 174.8 | -67 | -64.7 | 0 | 0 | 0 | 113.4 | L601 L654 G655 D659 | L601-H657 HydrophobicContact CD2-CB 3.72Å; L654-H657 HydrophobicContact CB-CB 4.24Å; L654-H657 WeakPolarHBondContact O-CB 3.32Å; L654-H657 PolarHBondContact O-CD2 3.12Å; L654-H657 PolarHBondContact O-N 3.48Å; L654-H657 VanDerWaalsContact O-N 3.14Å; G655-H657 PolarHBondContact O-N 2.92Å; H657-D659 PolarHBondContact O-N 3.44Å |
| 658 | V | 95.8 | Very high | 96.2 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 1% | 0.006 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -69.4 | -16.3 | 177.4 | 83.4 | 0 | 0 | 0 | 0 | 112.9 | Y608 G655 G656 T660 L661 V662 L693 A696 | Y608-V658 HydrophobicContact CD2-CG2 4.34Å; Y608-V658 HydrophobicContact CE2-CG2 4.11Å; G655-V658 VanDerWaalsContact O-CG1 3.3Å; G655-V658 WeakPolarHBondContact O-CG1 3.44Å; G655-V658 PolarHBondContact O-N 3.05Å; G656-V658 PolarHBondContact O-N 3.08Å; V658-T660 VanDerWaalsContact C-N 3.28Å; V658-T660 PolarHBondContact O-N 2.97Å; V658-T660 VanDerWaalsContact O-N 3.15Å; V658-L661 HydrophobicContact CG2-CD1 4.39Å; V658-L661 WeakPolarHBondContact O-CB 3.36Å; V658-L661 PolarHBondContact O-N 3Å; V658-V662 HydrophobicContact CG1-CG2 4.22Å; V658-V662 HydrophobicContact CG2-CG2 4.16Å; V658-V662 PolarHBondContact O-N 3.44Å; V658-L693 HydrophobicContact CG1-CD2 4.28Å; V658-A696 HydrophobicContact CG1-CB 3.79Å |
| 659 | D | 95.8 | Very high | 96.2 | Very high | 56 Ų | 56 | 43.6 Ų | 43.6 | 30% | 0.299 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -49.4 | -45.9 | -176.4 | -179.6 | -84.1 | 0 | 0 | 0 | 113 | G656 H657 L661 V662 A663 C697 H700 | G656-D659 WeakPolarHBondContact O-CB 3.26Å; G656-D659 PolarHBondContact O-N 2.84Å; H657-D659 PolarHBondContact O-N 3.44Å; D659-L661 VanDerWaalsContact C-N 3.32Å; D659-L661 PolarHBondContact O-N 3.43Å; D659-V662 PolarHBondContact O-N 3.07Å; D659-A663 VanDerWaalsContact O-CB 3.29Å; D659-A663 WeakPolarHBondContact O-CB 3.38Å; D659-A663 PolarHBondContact O-N 3.18Å; D659-C697 HydrophobicContact CB-CB 4.14Å; D659-H700 IonicContact OD1-NE2 3.63Å; D659-H700 IonicContact OD2-CD2 3.45Å; D659-H700 PolarHBondContact OD2-CD2 2.93Å; D659-H700 IonicContact OD2-CE1 3.96Å; D659-H700 IonicContact OD2-NE2 2.82Å; D659-H700 PolarHBondContact OD2-NE2 2.81Å |
| 660 | T | 95.1 | Very high | 96.4 | Very high | 82 Ų | 82 | 44.1 Ų | 44.1 | 50% | 0.503 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70.1 | -28.3 | -177 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | V658 R664 | V658-T660 VanDerWaalsContact C-N 3.28Å; V658-T660 PolarHBondContact O-N 2.97Å; V658-T660 VanDerWaalsContact O-N 3.15Å; T660-R664 WeakPolarHBondContact O-CG 3.44Å |
| 661 | L | 97.1 | Very high | 96.4 | Very high | 24 Ų | 24 | 44.1 Ų | 44.1 | 13% | 0.126 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -74.4 | -46.3 | 175 | -62.8 | 172.8 | 0 | 0 | 0 | 110.1 | C604 E605 Y608 V658 D659 A663 R664 S665 | C604-L661 HydrophobicContact CB-CD1 4.44Å; E605-L661 HydrophobicContact CB-CD2 4.2Å; E605-L661 HydrophobicContact CG-CD2 4.1Å; Y608-L661 HydrophobicContact CD1-CB 3.95Å; Y608-L661 HydrophobicContact CD2-CB 4.16Å; Y608-L661 HydrophobicContact CD2-CD1 4.14Å; Y608-L661 HydrophobicContact CE1-CB 3.97Å; Y608-L661 HydrophobicContact CE2-CB 4.17Å; Y608-L661 HydrophobicContact CG-CB 4.06Å; Y608-L661 HydrophobicContact CG-CD1 4.03Å; V658-L661 HydrophobicContact CG2-CD1 4.39Å; V658-L661 WeakPolarHBondContact O-CB 3.36Å; V658-L661 PolarHBondContact O-N 3Å; D659-L661 VanDerWaalsContact C-N 3.32Å; D659-L661 PolarHBondContact O-N 3.43Å; L661-A663 PolarHBondContact O-N 2.79Å; L661-R664 PolarHBondContact O-N 3.42Å; L661-S665 PolarHBondContact O-N 2.83Å; L661-S665 PolarHBondContact O-OG 2.89Å |
| 662 | V | 97.4 | Very high | 96.4 | Very high | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.03 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 177.4 | 174.6 | 0 | 0 | 0 | 0 | 110.7 | Y608 V658 D659 R664 S665 I667 M668 L693 H700 | Y608-V662 HydrophobicContact CE2-CG2 4.4Å; Y608-V662 WeakPolarHBondContact OH-CA 3.48Å; V658-V662 HydrophobicContact CG1-CG2 4.22Å; V658-V662 HydrophobicContact CG2-CG2 4.16Å; V658-V662 PolarHBondContact O-N 3.44Å; D659-V662 PolarHBondContact O-N 3.07Å; V662-R664 PolarHBondContact O-N 3.42Å; V662-R664 VanDerWaalsContact O-N 3.08Å; V662-S665 PolarHBondContact O-N 3.46Å; V662-S665 PolarHBondContact O-OG 3.43Å; V662-I667 HydrophobicContact CG1-CG2 4Å; V662-M668 HydrophobicContact CG1-CE 4.44Å; V662-L693 HydrophobicContact CG2-CD2 3.75Å; V662-H700 HydrophobicContact CG1-CB 3.97Å |
| 663 | A | 96.5 | Very high | 96.6 | Very high | 59 Ų | 59 | 46.9 Ų | 46.9 | 49% | 0.488 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -23.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | D659 L661 | D659-A663 VanDerWaalsContact O-CB 3.29Å; D659-A663 WeakPolarHBondContact O-CB 3.38Å; D659-A663 PolarHBondContact O-N 3.18Å; L661-A663 PolarHBondContact O-N 2.79Å |
| 664 | R | 96.2 | Very high | 96.8 | Very high | 205 Ų | 205 | 46.4 Ų | 46.4 | 77% | 0.774 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.2 | 4.2 | 179.7 | -67.1 | 177.3 | -178.1 | 177.3 | 4.2 | 113.5 | T660 L661 V662 | T660-R664 WeakPolarHBondContact O-CG 3.44Å; L661-R664 PolarHBondContact O-N 3.42Å; V662-R664 PolarHBondContact O-N 3.42Å; V662-R664 VanDerWaalsContact O-N 3.08Å |
| 665 | S | 96.9 | Very high | 96.9 | Very high | 33 Ų | 33 | 46.1 Ų | 46.1 | 23% | 0.231 | 26% | 0.256 | C | S | . | . | S | Bend | trans | -119.6 | 169.5 | -174.9 | 74.3 | 0 | 0 | 0 | 0 | 112.3 | Y608 L661 V662 I667 | Y608-S665 PolarHBondContact OH-OG 3.19Å; L661-S665 PolarHBondContact O-N 2.83Å; L661-S665 PolarHBondContact O-OG 2.89Å; V662-S665 PolarHBondContact O-N 3.46Å; V662-S665 PolarHBondContact O-OG 3.43Å; S665-I667 WeakPolarHBondContact OG-CG2 3.33Å |
| 666 | N | 97.1 | Very high | 97 | Very high | 60 Ų | 60 | 50.1 Ų | 50.1 | 32% | 0.321 | 27% | 0.269 | S | S | . | . | trans | -99.9 | 19.8 | 174.3 | 60.3 | -27.4 | 0 | 0 | 0 | 112.7 | Q616 M668 T669 L670 | Q616-N666 PolarHBondContact OE1-ND2 3.3Å; N666-M668 VanDerWaalsContact C-N 3.28Å; N666-M668 PolarHBondContact O-N 3.05Å; N666-T669 WeakPolarHBondContact O-CB 2.97Å; N666-T669 PolarHBondContact O-N 3.23Å; N666-L670 PolarHBondContact O-N 3.45Å | ||
| 667 | I | 98 | Very high | 97.3 | Very high | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.01 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.6 | -36.6 | -171.8 | -172.2 | 55.9 | 0 | 0 | 0 | 113.3 | Y608 V612 L647 V662 S665 T669 L670 L671 L689 | Y608-I667 WeakPolarHBondContact OH-CG2 3.47Å; V612-I667 HydrophobicContact CG2-CD1 4.48Å; L647-I667 HydrophobicContact CD1-CD1 3.93Å; V662-I667 HydrophobicContact CG1-CG2 4Å; S665-I667 WeakPolarHBondContact OG-CG2 3.33Å; I667-T669 VanDerWaalsContact C-N 3.28Å; I667-T669 PolarHBondContact O-N 2.97Å; I667-L670 HydrophobicContact CD1-CB 4.48Å; I667-L670 PolarHBondContact O-N 2.89Å; I667-L671 HydrophobicContact CD1-CG 4.38Å; I667-L671 HydrophobicContact CG1-CD1 4.26Å; I667-L671 HydrophobicContact CG1-CG 4.34Å; I667-L671 WeakPolarHBondContact O-CB 3.3Å; I667-L671 WeakPolarHBondContact O-CG 3.45Å; I667-L671 PolarHBondContact O-N 3.13Å; I667-L689 HydrophobicContact CD1-CD2 4.1Å; I667-L689 HydrophobicContact CG1-CD2 4.32Å |
| 668 | M | 97.8 | Very high | 97.3 | Very high | 26 Ų | 26 | 49.2 Ų | 49.2 | 13% | 0.128 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -60.6 | -38 | 177.1 | -67.1 | -64.5 | 111.7 | 0 | 0 | 112.3 | V662 N666 L671 F672 L693 V701 | V662-M668 HydrophobicContact CG1-CE 4.44Å; N666-M668 VanDerWaalsContact C-N 3.28Å; N666-M668 PolarHBondContact O-N 3.05Å; M668-L671 HydrophobicContact CE-CD1 3.78Å; M668-F672 PolarHBondContact O-N 2.85Å; M668-F672 VanDerWaalsContact O-N 3.15Å; M668-L693 HydrophobicContact CE-CB 4.49Å; M668-L693 HydrophobicContact CE-CD1 3.4Å; M668-L693 VanDerWaalsContact CE-CD1 3.4Å; M668-V701 HydrophobicContact CE-CG2 4.28Å; M668-V701 HydrophobicContact SD-CG2 4.19Å |
| 669 | T | 97.8 | Very high | 97.2 | Very high | 87 Ų | 87 | 52.2 Ų | 52.2 | 53% | 0.534 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -70.7 | -38.9 | 176.8 | -53.2 | 0 | 0 | 0 | 0 | 111.5 | N666 I667 Q673 | N666-T669 WeakPolarHBondContact O-CB 2.97Å; N666-T669 PolarHBondContact O-N 3.23Å; I667-T669 VanDerWaalsContact C-N 3.28Å; I667-T669 PolarHBondContact O-N 2.97Å; T669-Q673 PolarHBondContact O-N 3.37Å |
| 670 | L | 98.4 | Very high | 97.3 | Very high | 10 Ų | 10 | 51 Ų | 51 | 5% | 0.052 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.9 | -42.7 | 177.2 | -59.7 | 177.9 | 0 | 0 | 0 | 110.9 | V612 V615 Q616 L619 N666 I667 F672 Q673 C674 | V612-L670 HydrophobicContact CG1-CD1 3.9Å; V615-L670 HydrophobicContact CB-CD1 4.47Å; V615-L670 HydrophobicContact CG1-CB 4.06Å; V615-L670 HydrophobicContact CG1-CD1 4.17Å; Q616-L670 HydrophobicContact CB-CD1 4.12Å; Q616-L670 HydrophobicContact CB-CD2 4.19Å; Q616-L670 HydrophobicContact CG-CD2 4.34Å; L619-L670 HydrophobicContact CD1-CB 4.41Å; L619-L670 HydrophobicContact CD1-CD2 4.06Å; N666-L670 PolarHBondContact O-N 3.45Å; I667-L670 HydrophobicContact CD1-CB 4.48Å; I667-L670 PolarHBondContact O-N 2.89Å; L670-F672 VanDerWaalsContact C-N 3.32Å; L670-F672 PolarHBondContact O-N 3.37Å; L670-Q673 WeakPolarHBondContact O-CB 3.34Å; L670-Q673 PolarHBondContact O-N 3.43Å; L670-C674 PolarHBondContact O-N 3.37Å; L670-C674 PolarHBondContact O-SG 2.82Å |
| 671 | L | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -56.2 | -44.8 | 174.6 | -86 | 174.2 | 0 | 0 | 0 | 111.9 | L644 I667 M668 Q673 C674 M675 L689 L693 | L644-L671 HydrophobicContact CD2-CD2 4.34Å; I667-L671 HydrophobicContact CD1-CG 4.38Å; I667-L671 HydrophobicContact CG1-CD1 4.26Å; I667-L671 HydrophobicContact CG1-CG 4.34Å; I667-L671 WeakPolarHBondContact O-CB 3.3Å; I667-L671 WeakPolarHBondContact O-CG 3.45Å; I667-L671 PolarHBondContact O-N 3.13Å; M668-L671 HydrophobicContact CE-CD1 3.78Å; L671-Q673 PolarHBondContact O-N 3.31Å; L671-C674 PolarHBondContact O-N 2.98Å; L671-C674 VanDerWaalsContact O-N 3.13Å; L671-M675 WeakPolarHBondContact O-CB 3.46Å; L671-M675 WeakPolarHBondContact O-CG 3.41Å; L671-M675 PolarHBondContact O-N 2.73Å; L671-L689 HydrophobicContact CD1-CD2 4.29Å; L671-L689 HydrophobicContact CD1-CG 4.28Å; L671-L689 HydrophobicContact CD2-CB 4.27Å; L671-L689 HydrophobicContact CD2-CD2 3.82Å; L671-L689 HydrophobicContact CD2-CG 4.12Å; L671-L689 HydrophobicContact CG-CD2 4.24Å; L671-L693 HydrophobicContact CD1-CD1 3.83Å |
| 672 | F | 98.4 | Very high | 97.3 | Very high | 68 Ų | 68 | 49.8 Ų | 49.8 | 30% | 0.298 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -54.4 | -39.4 | 175.6 | -179.1 | -108.1 | 0 | 0 | 0 | 112.5 | M668 L670 Q676 E707 F708 I711 | M668-F672 PolarHBondContact O-N 2.85Å; M668-F672 VanDerWaalsContact O-N 3.15Å; L670-F672 VanDerWaalsContact C-N 3.32Å; L670-F672 PolarHBondContact O-N 3.37Å; F672-Q676 PolarHBondContact O-NE2 2.98Å; F672-E707 HydrophobicContact CE2-CB 4.17Å; F672-F708 HydrophobicContact CB-CE1 3.9Å; F672-F708 HydrophobicContact CD2-CD1 4.13Å; F672-F708 AromaticContact CD2-CE1 3.82Å; F672-F708 HydrophobicContact CD2-CE1 3.82Å; F672-F708 HydrophobicContact CG-CE1 4.34Å; F672-I711 HydrophobicContact CD2-CD1 3.95Å; F672-I711 HydrophobicContact CE2-CD1 3.74Å |
| 673 | Q | 98.3 | Very high | 97.4 | Very high | 67 Ų | 67 | 50.7 Ų | 50.7 | 31% | 0.313 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -73.3 | -44 | 177.1 | -63.2 | -178.7 | 6.3 | 0 | 0 | 111.7 | L619 M623 T669 L670 L671 M675 Q676 D677 | L619-Q673 HydrophobicContact CD1-CB 4.13Å; L619-Q673 HydrophobicContact CD2-CB 4.27Å; M623-Q673 VanDerWaalsContact CE-OE1 3.24Å; T669-Q673 PolarHBondContact O-N 3.37Å; L670-Q673 WeakPolarHBondContact O-CB 3.34Å; L670-Q673 PolarHBondContact O-N 3.43Å; L671-Q673 PolarHBondContact O-N 3.31Å; Q673-M675 PolarHBondContact O-N 2.83Å; Q673-Q676 PolarHBondContact O-N 3.15Å; Q673-Q676 VanDerWaalsContact O-N 3.12Å; Q673-D677 PolarHBondContact O-N 2.59Å |
| 674 | C | 98.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | -179.4 | -61 | 0 | 0 | 0 | 0 | 112.2 | L644 L670 L671 Q676 D677 V682 | L644-C674 HydrophobicContact CD1-CB 4.24Å; L670-C674 PolarHBondContact O-N 3.37Å; L670-C674 PolarHBondContact O-SG 2.82Å; L671-C674 PolarHBondContact O-N 2.98Å; L671-C674 VanDerWaalsContact O-N 3.13Å; C674-Q676 PolarHBondContact O-N 2.79Å; C674-Q676 VanDerWaalsContact O-N 3.08Å; C674-D677 VanDerWaalsContact O-CB 3.31Å; C674-D677 WeakPolarHBondContact O-CB 3.34Å; C674-D677 PolarHBondContact O-N 3.45Å; C674-V682 HydrophobicContact CB-CG1 3.98Å |
| 675 | M | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63 | -16.5 | 178 | -67.3 | 167.7 | 68.3 | 0 | 0 | 113.6 | L671 Q673 R683 S686 F687 L690 F708 I711 L712 | L671-M675 WeakPolarHBondContact O-CB 3.46Å; L671-M675 WeakPolarHBondContact O-CG 3.41Å; L671-M675 PolarHBondContact O-N 2.73Å; Q673-M675 PolarHBondContact O-N 2.83Å; M675-R683 WeakPolarHBondContact O-CD 3.32Å; M675-S686 WeakPolarHBondContact CA-OG 3.45Å; M675-S686 VanDerWaalsContact CG-OG 3.29Å; M675-S686 WeakPolarHBondContact CG-OG 3.17Å; M675-F687 HydrophobicContact CB-CE1 3.8Å; M675-F687 HydrophobicContact CB-CZ 4.38Å; M675-F687 HydrophobicContact CE-CD1 4.02Å; M675-F687 HydrophobicContact CE-CE1 3.59Å; M675-F687 HydrophobicContact CG-CD1 3.94Å; M675-F687 HydrophobicContact CG-CE1 3.62Å; M675-F687 HydrophobicContact SD-CE1 4.4Å; M675-L690 HydrophobicContact CE-CD2 3.78Å; M675-L690 HydrophobicContact SD-CD2 4.15Å; M675-F708 HydrophobicContact CE-CB 3.91Å; M675-F708 HydrophobicContact CE-CD1 4.19Å; M675-F708 HydrophobicContact CE-CD2 4.41Å; M675-F708 HydrophobicContact CE-CG 3.92Å; M675-F708 HydrophobicContact SD-CD1 4.07Å; M675-F708 HydrophobicContact SD-CD2 4.27Å; M675-F708 HydrophobicContact SD-CE1 4.2Å; M675-F708 HydrophobicContact SD-CE2 4.38Å; M675-F708 HydrophobicContact SD-CG 4.11Å; M675-F708 HydrophobicContact SD-CZ 4.34Å; M675-I711 HydrophobicContact CB-CG2 3.94Å; M675-I711 HydrophobicContact CE-CB 4.22Å; M675-I711 HydrophobicContact CE-CG2 4.2Å; M675-I711 WeakPolarHBondContact O-CG2 3.4Å; M675-L712 HydrophobicContact CE-CG 4.25Å |
| 676 | Q | 97.5 | Very high | 97.6 | Very high | 106 Ų | 106 | 37.2 Ų | 37.2 | 50% | 0.495 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.9 | 5 | 178.9 | -66.8 | 174 | 95.2 | 0 | 0 | 112.6 | F672 Q673 C674 I711 | F672-Q676 PolarHBondContact O-NE2 2.98Å; Q673-Q676 PolarHBondContact O-N 3.15Å; Q673-Q676 VanDerWaalsContact O-N 3.12Å; C674-Q676 PolarHBondContact O-N 2.79Å; C674-Q676 VanDerWaalsContact O-N 3.08Å; Q676-I711 HydrophobicContact CG-CD1 3.87Å; Q676-I711 HydrophobicContact CG-CG1 4.36Å; Q676-I711 HydrophobicContact CG-CG2 4.43Å |
| 677 | D | 97.9 | Very high | 97.6 | Very high | 18 Ų | 18 | 34.3 Ų | 34.3 | 10% | 0.096 | 18% | 0.178 | C | C | . | . | trans | -64.3 | 147.8 | -179.9 | -164 | -72.1 | 0 | 0 | 0 | 110.9 | K637 Q673 C674 M679 V682 R683 | K637-D677 IonicContact NZ-OD1 3.18Å; K637-D677 PolarHBondContact NZ-OD1 2.69Å; K637-D677 IonicContact NZ-OD2 2.7Å; K637-D677 PolarHBondContact NZ-OD2 3.4Å; Q673-D677 PolarHBondContact O-N 2.59Å; C674-D677 VanDerWaalsContact O-CB 3.31Å; C674-D677 WeakPolarHBondContact O-CB 3.34Å; C674-D677 PolarHBondContact O-N 3.45Å; D677-M679 VanDerWaalsContact C-N 3.28Å; D677-M679 PolarHBondContact O-N 3.43Å; D677-M679 WeakPolarHBondContact OD1-CB 3.23Å; D677-M679 PolarHBondContact OD1-N 3.01Å; D677-V682 HydrophobicContact CB-CB 3.95Å; D677-V682 HydrophobicContact CB-CG1 3.63Å; D677-R683 VanDerWaalsContact O-CD 3.25Å; D677-R683 WeakPolarHBondContact O-CD 3.48Å; D677-R683 WeakPolarHBondContact O-CG 3.32Å; D677-R683 PolarHBondContact O-NH1 3.41Å | ||
| 678 | T | 95.3 | Very high | 97.6 | Very high | 125 Ų | 125 | 34.2 Ų | 34.2 | 77% | 0.767 | 18% | 0.177 | S | C | * | . | S | Bend | trans | -67.5 | -29.8 | 178.8 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | P680 R683 | T678-P680 WeakPolarHBondContact O-CD 3.28Å; T678-R683 VanDerWaalsContact C-NH1 3.32Å; T678-R683 PolarHBondContact O-NH1 2.9Å |
| 679 | M | 95.6 | Very high | 97.7 | Very high | 64 Ų | 64 | 33.1 Ų | 33.1 | 32% | 0.315 | 17% | 0.172 | S | C | . | . | S | Bend | trans | -78.2 | 119.8 | -179.6 | -175.7 | 171.1 | -90.3 | 0 | 0 | 110.5 | K637 I641 D677 E681 V682 R683 | K637-M679 HydrophobicContact CB-CE 4.32Å; K637-M679 HydrophobicContact CB-SD 3.58Å; K637-M679 VanDerWaalsContact CB-SD 3.58Å; K637-M679 HydrophobicContact CD-CB 4.18Å; K637-M679 HydrophobicContact CD-CE 4.27Å; K637-M679 HydrophobicContact CD-SD 3.76Å; K637-M679 HydrophobicContact CG-SD 4.22Å; I641-M679 HydrophobicContact CD1-SD 4.09Å; D677-M679 VanDerWaalsContact C-N 3.28Å; D677-M679 PolarHBondContact O-N 3.43Å; D677-M679 WeakPolarHBondContact OD1-CB 3.23Å; D677-M679 PolarHBondContact OD1-N 3.01Å; M679-E681 VanDerWaalsContact C-N 3.34Å; M679-E681 HydrophobicContact CG-CB 4.3Å; M679-E681 WeakPolarHBondContact CG-OE2 3.44Å; M679-E681 PolarHBondContact O-N 2.75Å; M679-V682 HydrophobicContact CB-CB 4.43Å; M679-V682 HydrophobicContact CB-CG2 3.89Å; M679-V682 HydrophobicContact CG-CG2 4.02Å; M679-V682 PolarHBondContact O-N 3.43Å; M679-V682 HydrophobicContact SD-CG2 3.95Å; M679-R683 PolarHBondContact O-N 3.43Å |
| 680 | P | 96.4 | Very high | 97.7 | Very high | 29 Ų | 29 | 29 Ų | 29 | 19% | 0.188 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -52 | -45.5 | -179.6 | -28.4 | 35.9 | 0 | 0 | 0 | 114.7 | T678 V682 R683 Q684 F720 V723 | T678-P680 WeakPolarHBondContact O-CD 3.28Å; P680-V682 VanDerWaalsContact C-N 3.32Å; P680-V682 PolarHBondContact O-N 3.05Å; P680-R683 CarbonylContact O-C 3.42Å; P680-R683 WeakPolarHBondContact O-CA 3.27Å; P680-R683 WeakPolarHBondContact O-CB 3.24Å; P680-R683 PolarHBondContact O-N 2.65Å; P680-Q684 PolarHBondContact O-N 2.86Å; P680-F720 HydrophobicContact CB-CD1 3.94Å; P680-F720 HydrophobicContact CB-CE1 4.38Å; P680-F720 HydrophobicContact CG-CD1 3.68Å; P680-F720 HydrophobicContact CG-CE1 3.6Å; P680-F720 HydrophobicContact CG-CZ 4.43Å; P680-V723 HydrophobicContact CB-CG2 3.77Å; P680-V723 VanDerWaalsContact O-CG2 3.26Å; P680-V723 WeakPolarHBondContact O-CG2 3.06Å |
| 681 | E | 95.1 | Very high | 97.7 | Very high | 81 Ų | 81 | 28.5 Ų | 28.5 | 38% | 0.379 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -59.7 | -41.2 | -176 | -63.8 | 82.5 | -177.1 | 0 | 0 | 111.2 | S340 I641 M679 R683 Q684 S685 | S340-E681 WeakPolarHBondContact OG-CA 3.38Å; S340-E681 VanDerWaalsContact OG-CB 3.27Å; S340-E681 WeakPolarHBondContact OG-CB 3.43Å; S340-E681 PolarHBondContact OG-O 2.8Å; I641-E681 HydrophobicContact CD1-CB 3.61Å; I641-E681 HydrophobicContact CG1-CB 4.41Å; M679-E681 VanDerWaalsContact C-N 3.34Å; M679-E681 HydrophobicContact CG-CB 4.3Å; M679-E681 WeakPolarHBondContact CG-OE2 3.44Å; M679-E681 PolarHBondContact O-N 2.75Å; E681-R683 PolarHBondContact O-N 2.87Å; E681-Q684 WeakPolarHBondContact O-CB 3.44Å; E681-Q684 PolarHBondContact O-N 3.06Å; E681-S685 PolarHBondContact O-N 3.27Å; E681-S685 PolarHBondContact O-OG 3.02Å |
| 682 | V | 98 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 173.3 | 179.2 | 0 | 0 | 0 | 0 | 111.5 | K637 M640 I641 L644 C674 D677 M679 P680 S686 | K637-V682 HydrophobicContact CB-CG2 4.26Å; K637-V682 HydrophobicContact CD-CG2 4.11Å; M640-V682 HydrophobicContact CE-CB 4.09Å; M640-V682 HydrophobicContact CE-CG1 3.42Å; M640-V682 VanDerWaalsContact CE-CG1 3.42Å; M640-V682 HydrophobicContact CE-CG2 3.46Å; M640-V682 VanDerWaalsContact CE-CG2 3.46Å; M640-V682 HydrophobicContact SD-CG1 4.13Å; I641-V682 HydrophobicContact CD1-CG2 4.06Å; I641-V682 HydrophobicContact CG1-CG2 3.72Å; L644-V682 HydrophobicContact CD1-CG1 4.44Å; C674-V682 HydrophobicContact CB-CG1 3.98Å; D677-V682 HydrophobicContact CB-CB 3.95Å; D677-V682 HydrophobicContact CB-CG1 3.63Å; M679-V682 HydrophobicContact CB-CB 4.43Å; M679-V682 HydrophobicContact CB-CG2 3.89Å; M679-V682 HydrophobicContact CG-CG2 4.02Å; M679-V682 PolarHBondContact O-N 3.43Å; M679-V682 HydrophobicContact SD-CG2 3.95Å; P680-V682 VanDerWaalsContact C-N 3.32Å; P680-V682 PolarHBondContact O-N 3.05Å; V682-S686 WeakPolarHBondContact O-CB 3.42Å; V682-S686 PolarHBondContact O-N 3.41Å; V682-S686 PolarHBondContact O-OG 3.44Å |
| 683 | R | 98.3 | Very high | 97.7 | Very high | 25 Ų | 25 | 25.5 Ų | 25.5 | 9% | 0.094 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.5 | -45.4 | 177.9 | -60.7 | -164.3 | -60.2 | -76.4 | -3.6 | 110.4 | M675 D677 T678 M679 P680 E681 S685 S686 F687 N715 V723 | M675-R683 WeakPolarHBondContact O-CD 3.32Å; D677-R683 VanDerWaalsContact O-CD 3.25Å; D677-R683 WeakPolarHBondContact O-CD 3.48Å; D677-R683 WeakPolarHBondContact O-CG 3.32Å; D677-R683 PolarHBondContact O-NH1 3.41Å; T678-R683 VanDerWaalsContact C-NH1 3.32Å; T678-R683 PolarHBondContact O-NH1 2.9Å; M679-R683 PolarHBondContact O-N 3.43Å; P680-R683 CarbonylContact O-C 3.42Å; P680-R683 WeakPolarHBondContact O-CA 3.27Å; P680-R683 WeakPolarHBondContact O-CB 3.24Å; P680-R683 PolarHBondContact O-N 2.65Å; E681-R683 PolarHBondContact O-N 2.87Å; R683-S685 PolarHBondContact O-N 3.32Å; R683-S686 PolarHBondContact O-N 3.49Å; R683-S686 PolarHBondContact O-OG 2.9Å; R683-F687 HydrophobicContact CB-CE2 3.89Å; R683-F687 HydrophobicContact CB-CZ 4.29Å; R683-F687 WeakPolarHBondContact O-CD2 3.32Å; R683-F687 VanDerWaalsContact O-CG 3.29Å; R683-F687 WeakPolarHBondContact O-CG 3.29Å; R683-F687 PolarHBondContact O-N 3.5Å; R683-N715 WeakPolarHBondContact CD-OD1 3.4Å; R683-N715 PolarHBondContact NE-OD1 3.2Å; R683-V723 HydrophobicContact CB-CG1 4.09Å |
| 684 | Q | 97.7 | Very high | 97.7 | Very high | 13 Ų | 13 | 22.3 Ų | 22.3 | 6% | 0.061 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -52.9 | -55.3 | 177.2 | 175.1 | -176.9 | -15.5 | 0 | 0 | 112.1 | S340 R341 T342 P680 E681 S686 F687 A688 S722 V723 N726 | S340-Q684 PolarHBondContact O-NE2 3.48Å; R341-Q684 PolarHBondContact O-NE2 2.95Å; T342-Q684 PolarHBondContact OG1-NE2 3.29Å; T342-Q684 VanDerWaalsContact OG1-NE2 3.12Å; P680-Q684 PolarHBondContact O-N 2.86Å; E681-Q684 WeakPolarHBondContact O-CB 3.44Å; E681-Q684 PolarHBondContact O-N 3.06Å; Q684-S686 VanDerWaalsContact C-N 3.33Å; Q684-S686 PolarHBondContact O-N 3.14Å; Q684-F687 PolarHBondContact O-N 2.92Å; Q684-A688 PolarHBondContact O-N 3.48Å; Q684-A688 VanDerWaalsContact O-N 3.13Å; Q684-S722 VanDerWaalsContact OE1-CB 3.28Å; Q684-V723 HydrophobicContact CB-CG2 4.03Å; Q684-N726 VanDerWaalsContact CG-ND2 3.25Å; Q684-N726 WeakPolarHBondContact CG-ND2 3.5Å; Q684-N726 PolarHBondContact O-ND2 3.47Å |
| 685 | S | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -64.1 | -36.6 | 179.3 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | S340 I641 D645 E681 R683 F687 A688 L689 | S340-S685 PolarHBondContact OG-OG 3.39Å; I641-S685 VanDerWaalsContact CG2-OG 3.26Å; I641-S685 WeakPolarHBondContact CG2-OG 3.33Å; D645-S685 VanDerWaalsContact CG-OG 3.26Å; D645-S685 WeakPolarHBondContact OD1-CA 3.44Å; D645-S685 WeakPolarHBondContact OD1-CB 3.33Å; D645-S685 PolarHBondContact OD1-OG 2.77Å; D645-S685 PolarHBondContact OD2-OG 3.46Å; E681-S685 PolarHBondContact O-N 3.27Å; E681-S685 PolarHBondContact O-OG 3.02Å; R683-S685 PolarHBondContact O-N 3.32Å; S685-F687 VanDerWaalsContact C-N 3.33Å; S685-F687 PolarHBondContact O-N 2.97Å; S685-A688 PolarHBondContact O-N 3.17Å; S685-L689 PolarHBondContact O-N 3Å |
| 686 | S | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.3 | -34.4 | 175.8 | 79.1 | 0 | 0 | 0 | 0 | 113.2 | M675 V682 R683 Q684 L690 | M675-S686 WeakPolarHBondContact CA-OG 3.45Å; M675-S686 VanDerWaalsContact CG-OG 3.29Å; M675-S686 WeakPolarHBondContact CG-OG 3.17Å; V682-S686 WeakPolarHBondContact O-CB 3.42Å; V682-S686 PolarHBondContact O-N 3.41Å; V682-S686 PolarHBondContact O-OG 3.44Å; R683-S686 PolarHBondContact O-N 3.49Å; R683-S686 PolarHBondContact O-OG 2.9Å; Q684-S686 VanDerWaalsContact C-N 3.33Å; Q684-S686 PolarHBondContact O-N 3.14Å; S686-L690 WeakPolarHBondContact O-CB 3.19Å; S686-L690 PolarHBondContact O-N 3.05Å |
| 687 | F | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -74.1 | -36.5 | 176.7 | -61.9 | -39.2 | 0 | 0 | 0 | 112.3 | M675 R683 Q684 S685 L690 G691 I711 L712 N715 V723 N726 A727 | M675-F687 HydrophobicContact CB-CE1 3.8Å; M675-F687 HydrophobicContact CB-CZ 4.38Å; M675-F687 HydrophobicContact CE-CD1 4.02Å; M675-F687 HydrophobicContact CE-CE1 3.59Å; M675-F687 HydrophobicContact CG-CD1 3.94Å; M675-F687 HydrophobicContact CG-CE1 3.62Å; M675-F687 HydrophobicContact SD-CE1 4.4Å; R683-F687 HydrophobicContact CB-CE2 3.89Å; R683-F687 HydrophobicContact CB-CZ 4.29Å; R683-F687 WeakPolarHBondContact O-CD2 3.32Å; R683-F687 VanDerWaalsContact O-CG 3.29Å; R683-F687 WeakPolarHBondContact O-CG 3.29Å; R683-F687 PolarHBondContact O-N 3.5Å; Q684-F687 PolarHBondContact O-N 2.92Å; S685-F687 VanDerWaalsContact C-N 3.33Å; S685-F687 PolarHBondContact O-N 2.97Å; F687-L690 PolarHBondContact O-N 3.25Å; F687-G691 PolarHBondContact O-N 3.44Å; F687-I711 HydrophobicContact CE1-CG2 4.4Å; F687-I711 HydrophobicContact CZ-CG2 4.39Å; F687-L712 HydrophobicContact CD1-CD2 3.5Å; F687-L712 VanDerWaalsContact CD1-CD2 3.5Å; F687-L712 HydrophobicContact CE1-CD2 3.74Å; F687-L712 HydrophobicContact CE1-CG 4.45Å; F687-L712 HydrophobicContact CG-CD2 4.09Å; F687-L712 HydrophobicContact CZ-CD2 4.49Å; F687-N715 HydrophobicContact CE2-CB 3.64Å; F687-N715 HydrophobicContact CZ-CB 3.78Å; F687-V723 HydrophobicContact CD2-CG1 4.03Å; F687-V723 HydrophobicContact CE2-CG1 3.62Å; F687-N726 HydrophobicContact CB-CB 3.91Å; F687-A727 HydrophobicContact CD2-CB 3.8Å; F687-A727 HydrophobicContact CE2-CB 4.07Å; F687-A727 HydrophobicContact CG-CB 4.22Å |
| 688 | A | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -58.9 | -52.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | V343 Q684 S685 L690 G691 D692 W729 | V343-A688 HydrophobicContact CG2-CB 4.24Å; Q684-A688 PolarHBondContact O-N 3.48Å; Q684-A688 VanDerWaalsContact O-N 3.13Å; S685-A688 PolarHBondContact O-N 3.17Å; A688-L690 VanDerWaalsContact C-N 3.29Å; A688-L690 PolarHBondContact O-N 3.07Å; A688-G691 PolarHBondContact O-N 3.24Å; A688-G691 VanDerWaalsContact O-N 3.12Å; A688-D692 PolarHBondContact O-N 2.8Å; A688-W729 WeakPolarHBondContact O-CZ3 3.45Å |
| 689 | L | 98.5 | Very high | 97.6 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.4 | -39.9 | 176.6 | 177.3 | 57.9 | 0 | 0 | 0 | 112.5 | L644 L647 I667 L671 S685 G691 D692 L693 | L644-L689 HydrophobicContact CD2-CD2 3.74Å; L647-L689 HydrophobicContact CB-CD1 3.83Å; L647-L689 HydrophobicContact CB-CD2 3.85Å; L647-L689 HydrophobicContact CD1-CD2 4.21Å; I667-L689 HydrophobicContact CD1-CD2 4.1Å; I667-L689 HydrophobicContact CG1-CD2 4.32Å; L671-L689 HydrophobicContact CD1-CD2 4.29Å; L671-L689 HydrophobicContact CD1-CG 4.28Å; L671-L689 HydrophobicContact CD2-CB 4.27Å; L671-L689 HydrophobicContact CD2-CD2 3.82Å; L671-L689 HydrophobicContact CD2-CG 4.12Å; L671-L689 HydrophobicContact CG-CD2 4.24Å; S685-L689 PolarHBondContact O-N 3Å; L689-G691 PolarHBondContact O-N 3.3Å; L689-D692 PolarHBondContact O-N 3.06Å; L689-L693 HydrophobicContact CD1-CD1 3.75Å; L689-L693 HydrophobicContact CD1-CD2 4.35Å; L689-L693 HydrophobicContact CD1-CG 3.73Å; L689-L693 HydrophobicContact CG-CD1 3.87Å; L689-L693 HydrophobicContact CG-CG 4.26Å; L689-L693 WeakPolarHBondContact O-CB 3.17Å; L689-L693 VanDerWaalsContact O-CG 3.31Å; L689-L693 WeakPolarHBondContact O-CG 3.35Å; L689-L693 PolarHBondContact O-N 2.97Å |
| 690 | L | 98.7 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.5 | -44.5 | 176.7 | 175.2 | 60.1 | 0 | 0 | 0 | 112.1 | M675 S686 F687 A688 T694 V701 F708 L712 I734 | M675-L690 HydrophobicContact CE-CD2 3.78Å; M675-L690 HydrophobicContact SD-CD2 4.15Å; S686-L690 WeakPolarHBondContact O-CB 3.19Å; S686-L690 PolarHBondContact O-N 3.05Å; F687-L690 PolarHBondContact O-N 3.25Å; A688-L690 VanDerWaalsContact C-N 3.29Å; A688-L690 PolarHBondContact O-N 3.07Å; L690-T694 VanDerWaalsContact O-CB 3.28Å; L690-T694 WeakPolarHBondContact O-CB 3.36Å; L690-T694 PolarHBondContact O-N 3.34Å; L690-T694 PolarHBondContact O-OG1 3.14Å; L690-V701 HydrophobicContact CD1-CG1 3.66Å; L690-F708 HydrophobicContact CD1-CD2 3.66Å; L690-F708 HydrophobicContact CD1-CE2 3.8Å; L690-F708 HydrophobicContact CD2-CD2 3.99Å; L690-L712 HydrophobicContact CD2-CD1 4.01Å; L690-L712 HydrophobicContact CD2-CD2 4.37Å; L690-L712 HydrophobicContact CD2-CG 4.47Å; L690-I734 HydrophobicContact CD2-CD1 4.15Å; L690-I734 HydrophobicContact CG-CD1 4.35Å |
| 691 | G | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66.1 | -40.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | F687 A688 L689 T694 K695 W729 | F687-G691 PolarHBondContact O-N 3.44Å; A688-G691 PolarHBondContact O-N 3.24Å; A688-G691 VanDerWaalsContact O-N 3.12Å; L689-G691 PolarHBondContact O-N 3.3Å; G691-T694 VanDerWaalsContact O-CB 3.32Å; G691-T694 WeakPolarHBondContact O-CB 3.47Å; G691-T694 PolarHBondContact O-N 3.06Å; G691-K695 PolarHBondContact O-N 3.08Å; G691-W729 VanDerWaalsContact CA-CZ3 3.43Å |
| 692 | D | 98.1 | Very high | 97.9 | Very high | 3 Ų | 3 | 19 Ų | 19 | 2% | 0.016 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.9 | -42.7 | 176.8 | -71.5 | -43.9 | 0 | 0 | 0 | 113 | S648 A651 A688 L689 T694 K695 A696 W729 | S648-D692 PolarHBondContact OG-OD2 3.46Å; A651-D692 HydrophobicContact CB-CB 3.79Å; A688-D692 PolarHBondContact O-N 2.8Å; L689-D692 PolarHBondContact O-N 3.06Å; D692-T694 PolarHBondContact O-N 3.28Å; D692-K695 PolarHBondContact O-N 2.95Å; D692-K695 WeakPolarHBondContact OD1-CE 3.5Å; D692-K695 IonicContact OD1-NZ 3.32Å; D692-K695 PolarHBondContact OD1-NZ 3.44Å; D692-A696 VanDerWaalsContact O-CB 3.29Å; D692-A696 WeakPolarHBondContact O-CB 3.33Å; D692-A696 PolarHBondContact O-N 2.92Å; D692-W729 WeakPolarHBondContact OD1-CH2 3.25Å |
| 693 | L | 98.4 | Very high | 97.9 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -65 | -30.4 | 173.8 | -68.7 | 178 | 0 | 0 | 0 | 112.1 | A651 V658 V662 M668 L671 L689 A696 C697 F698 V701 | A651-L693 HydrophobicContact CB-CD2 3.82Å; A651-L693 HydrophobicContact CB-CG 4.36Å; V658-L693 HydrophobicContact CG1-CD2 4.28Å; V662-L693 HydrophobicContact CG2-CD2 3.75Å; M668-L693 HydrophobicContact CE-CB 4.49Å; M668-L693 HydrophobicContact CE-CD1 3.4Å; M668-L693 VanDerWaalsContact CE-CD1 3.4Å; L671-L693 HydrophobicContact CD1-CD1 3.83Å; L689-L693 HydrophobicContact CD1-CD1 3.75Å; L689-L693 HydrophobicContact CD1-CD2 4.35Å; L689-L693 HydrophobicContact CD1-CG 3.73Å; L689-L693 HydrophobicContact CG-CD1 3.87Å; L689-L693 HydrophobicContact CG-CG 4.26Å; L689-L693 WeakPolarHBondContact O-CB 3.17Å; L689-L693 VanDerWaalsContact O-CG 3.31Å; L689-L693 WeakPolarHBondContact O-CG 3.35Å; L689-L693 PolarHBondContact O-N 2.97Å; L693-A696 PolarHBondContact O-N 3.32Å; L693-C697 CarbonylContact O-C 3.57Å; L693-C697 PolarHBondContact O-N 3.49Å; L693-F698 PolarHBondContact O-N 3.2Å; L693-V701 HydrophobicContact CB-CG2 4.08Å |
| 694 | T | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -64.1 | -43.9 | 173.1 | -65.7 | 0 | 0 | 0 | 0 | 111.1 | L690 G691 D692 F698 E733 I734 Q737 | L690-T694 VanDerWaalsContact O-CB 3.28Å; L690-T694 WeakPolarHBondContact O-CB 3.36Å; L690-T694 PolarHBondContact O-N 3.34Å; L690-T694 PolarHBondContact O-OG1 3.14Å; G691-T694 VanDerWaalsContact O-CB 3.32Å; G691-T694 WeakPolarHBondContact O-CB 3.47Å; G691-T694 PolarHBondContact O-N 3.06Å; D692-T694 PolarHBondContact O-N 3.28Å; T694-F698 HydrophobicContact CG2-CD2 3.89Å; T694-F698 HydrophobicContact CG2-CE2 4.28Å; T694-F698 WeakPolarHBondContact O-CB 3.33Å; T694-E733 HydrophobicContact CG2-CB 4.13Å; T694-I734 HydrophobicContact CG2-CB 4.37Å; T694-I734 HydrophobicContact CG2-CG1 3.84Å; T694-Q737 HydrophobicContact CG2-CB 4.31Å; T694-Q737 HydrophobicContact CG2-CG 3.69Å |
| 695 | K | 95.6 | Very high | 97.9 | Very high | 79 Ų | 79 | 23.2 Ų | 23.2 | 34% | 0.343 | 13% | 0.129 | S | C | . | . | H | α-helix | trans | -65.6 | -44.2 | 173.4 | -71.3 | -179 | -67.9 | 174 | 0 | 112 | G691 D692 W729 E733 | G691-K695 PolarHBondContact O-N 3.08Å; D692-K695 PolarHBondContact O-N 2.95Å; D692-K695 WeakPolarHBondContact OD1-CE 3.5Å; D692-K695 IonicContact OD1-NZ 3.32Å; D692-K695 PolarHBondContact OD1-NZ 3.44Å; K695-W729 HydrophobicContact CD-CZ2 4.49Å; K695-E733 HydrophobicContact CD-CG 4.34Å; K695-E733 HydrophobicContact CG-CG 4.2Å; K695-E733 WeakPolarHBondContact CG-OE2 3.29Å |
| 696 | A | 96.6 | Very high | 97.9 | Very high | 19 Ų | 19 | 26.2 Ų | 26.2 | 16% | 0.157 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -79.3 | -45.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | G656 V658 D692 L693 | G656-A696 WeakPolarHBondContact CA-O 3.45Å; V658-A696 HydrophobicContact CG1-CB 3.79Å; D692-A696 VanDerWaalsContact O-CB 3.29Å; D692-A696 WeakPolarHBondContact O-CB 3.33Å; D692-A696 PolarHBondContact O-N 2.92Å; L693-A696 PolarHBondContact O-N 3.32Å |
| 697 | C | 97.1 | Very high | 97.8 | Very high | 4 Ų | 4 | 31.8 Ų | 31.8 | 3% | 0.027 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -150.9 | 52.4 | -169.4 | 62.6 | 0 | 0 | 0 | 0 | 113.1 | D659 L693 P699 H700 | D659-C697 HydrophobicContact CB-CB 4.14Å; L693-C697 CarbonylContact O-C 3.57Å; L693-C697 PolarHBondContact O-N 3.49Å; C697-P699 VanDerWaalsContact C-N 3.28Å; C697-P699 WeakPolarHBondContact O-CD 3.37Å; C697-H700 PolarHBondContact O-N 3.14Å; C697-H700 VanDerWaalsContact O-N 3.07Å |
| 698 | F | 98 | Very high | 97.8 | Very high | 20 Ų | 20 | 31.9 Ų | 31.9 | 9% | 0.088 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -45.4 | -34 | 178.9 | -169.2 | -120.9 | 0 | 0 | 0 | 117.1 | L693 T694 H700 V701 K702 I705 Q737 M738 | L693-F698 PolarHBondContact O-N 3.2Å; T694-F698 HydrophobicContact CG2-CD2 3.89Å; T694-F698 HydrophobicContact CG2-CE2 4.28Å; T694-F698 WeakPolarHBondContact O-CB 3.33Å; F698-H700 PolarHBondContact O-N 3.38Å; F698-H700 VanDerWaalsContact O-N 3.08Å; F698-V701 HydrophobicContact CD2-CB 4.11Å; F698-V701 PolarHBondContact O-N 2.89Å; F698-K702 HydrophobicContact CD1-CB 4.23Å; F698-K702 HydrophobicContact CE1-CB 3.82Å; F698-K702 HydrophobicContact CE1-CD 3.83Å; F698-K702 HydrophobicContact CE1-CG 3.96Å; F698-K702 HydrophobicContact CE2-CB 4.33Å; F698-K702 HydrophobicContact CZ-CB 3.86Å; F698-K702 HydrophobicContact CZ-CD 4.38Å; F698-K702 HydrophobicContact CZ-CG 4.04Å; F698-K702 PolarHBondContact O-N 3.24Å; F698-I705 HydrophobicContact CE2-CD1 4.33Å; F698-I705 HydrophobicContact CE2-CG1 4.3Å; F698-Q737 HydrophobicContact CB-CB 4.33Å; F698-Q737 HydrophobicContact CB-CG 4.21Å; F698-Q737 HydrophobicContact CD1-CB 3.62Å; F698-Q737 HydrophobicContact CD1-CG 4.41Å; F698-Q737 HydrophobicContact CD2-CB 3.66Å; F698-Q737 HydrophobicContact CD2-CG 4.04Å; F698-Q737 HydrophobicContact CE1-CB 3.69Å; F698-Q737 HydrophobicContact CE2-CB 3.77Å; F698-Q737 HydrophobicContact CG-CB 3.59Å; F698-Q737 HydrophobicContact CG-CG 3.97Å; F698-Q737 HydrophobicContact CZ-CB 3.78Å; F698-M738 HydrophobicContact CE1-SD 4.25Å; F698-M738 HydrophobicContact CZ-CG 3.79Å; F698-M738 HydrophobicContact CZ-SD 3.63Å |
| 699 | P | 97.8 | Very high | 97.8 | Very high | 95 Ų | 95 | 31.9 Ų | 31.9 | 62% | 0.617 | 18% | 0.18 | S | C | * | . | H | α-helix | trans | -53.8 | -28.8 | 177 | -29.9 | 38 | 0 | 0 | 0 | 114.9 | C697 P703 | C697-P699 VanDerWaalsContact C-N 3.28Å; C697-P699 WeakPolarHBondContact O-CD 3.37Å; P699-P703 WeakPolarHBondContact O-CD 3.39Å |
| 700 | H | 97.8 | Very high | 97.8 | Very high | 56 Ų | 56 | 34.3 Ų | 34.3 | 26% | 0.259 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -84.7 | -26.1 | 176.1 | -55.6 | -61.6 | 0 | 0 | 0 | 113 | D659 V662 C697 F698 P703 | D659-H700 IonicContact OD1-NE2 3.63Å; D659-H700 IonicContact OD2-CD2 3.45Å; D659-H700 PolarHBondContact OD2-CD2 2.93Å; D659-H700 IonicContact OD2-CE1 3.96Å; D659-H700 IonicContact OD2-NE2 2.82Å; D659-H700 PolarHBondContact OD2-NE2 2.81Å; V662-H700 HydrophobicContact CG1-CB 3.97Å; C697-H700 PolarHBondContact O-N 3.14Å; C697-H700 VanDerWaalsContact O-N 3.07Å; F698-H700 PolarHBondContact O-N 3.38Å; F698-H700 VanDerWaalsContact O-N 3.08Å; H700-P703 WeakPolarHBondContact O-CD 2.99Å |
| 701 | V | 98.1 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -82.9 | -38.4 | 179.3 | -174.5 | 0 | 0 | 0 | 0 | 111.5 | M668 L690 L693 F698 P703 C704 I705 | M668-V701 HydrophobicContact CE-CG2 4.28Å; M668-V701 HydrophobicContact SD-CG2 4.19Å; L690-V701 HydrophobicContact CD1-CG1 3.66Å; L693-V701 HydrophobicContact CB-CG2 4.08Å; F698-V701 HydrophobicContact CD2-CB 4.11Å; F698-V701 PolarHBondContact O-N 2.89Å; V701-P703 VanDerWaalsContact C-N 3.33Å; V701-P703 VanDerWaalsContact O-N 3.15Å; V701-C704 WeakPolarHBondContact O-CB 3.31Å; V701-C704 PolarHBondContact O-N 3.07Å; V701-I705 HydrophobicContact CG1-CD1 3.85Å |
| 702 | K | 97.8 | Very high | 97.8 | Very high | 82 Ų | 82 | 35.1 Ų | 35.1 | 36% | 0.357 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -48.3 | -43.2 | -175.9 | -173.1 | 170.7 | -175 | 165.6 | 0 | 114.1 | F698 C704 I705 M738 E741 | F698-K702 HydrophobicContact CD1-CB 4.23Å; F698-K702 HydrophobicContact CE1-CB 3.82Å; F698-K702 HydrophobicContact CE1-CD 3.83Å; F698-K702 HydrophobicContact CE1-CG 3.96Å; F698-K702 HydrophobicContact CE2-CB 4.33Å; F698-K702 HydrophobicContact CZ-CB 3.86Å; F698-K702 HydrophobicContact CZ-CD 4.38Å; F698-K702 HydrophobicContact CZ-CG 4.04Å; F698-K702 PolarHBondContact O-N 3.24Å; K702-C704 PolarHBondContact O-N 3.15Å; K702-I705 PolarHBondContact O-N 3.33Å; K702-M738 HydrophobicContact CG-SD 4.45Å; K702-E741 VanDerWaalsContact CE-OE2 3.29Å; K702-E741 WeakPolarHBondContact CE-OE2 3.29Å; K702-E741 IonicContact NZ-OE1 2.82Å; K702-E741 PolarHBondContact NZ-OE1 3.47Å; K702-E741 IonicContact NZ-OE2 2.87Å; K702-E741 PolarHBondContact NZ-OE2 3.25Å |
| 703 | P | 98.3 | Very high | 97.8 | Very high | 100 Ų | 100 | 35.2 Ų | 35.2 | 65% | 0.649 | 20% | 0.202 | S | C | * | . | G | 310 helix | trans | -61.6 | -24.2 | 178.2 | -24 | 35.8 | 0 | 0 | 0 | 114.7 | P699 H700 V701 | P699-P703 WeakPolarHBondContact O-CD 3.39Å; H700-P703 WeakPolarHBondContact O-CD 2.99Å; V701-P703 VanDerWaalsContact C-N 3.33Å; V701-P703 VanDerWaalsContact O-N 3.15Å |
| 704 | C | 98.2 | Very high | 97.7 | Very high | 24 Ų | 24 | 40.1 Ų | 40.1 | 16% | 0.162 | 23% | 0.232 | C | C | . | . | G | 310 helix | trans | -94.6 | -11.6 | -175.4 | -60 | 0 | 0 | 0 | 0 | 113.5 | V701 K702 A706 E707 F708 | V701-C704 WeakPolarHBondContact O-CB 3.31Å; V701-C704 PolarHBondContact O-N 3.07Å; K702-C704 PolarHBondContact O-N 3.15Å; C704-A706 VanDerWaalsContact C-N 3.25Å; C704-A706 PolarHBondContact O-N 3.26Å; C704-A706 VanDerWaalsContact O-N 3.15Å; C704-E707 PolarHBondContact O-N 2.92Å; C704-F708 HydrophobicContact CB-CD1 4.18Å; C704-F708 HydrophobicContact CB-CD2 3.88Å; C704-F708 HydrophobicContact CB-CE1 3.85Å; C704-F708 HydrophobicContact CB-CE2 3.55Å; C704-F708 HydrophobicContact CB-CG 4.2Å; C704-F708 HydrophobicContact CB-CZ 3.55Å; C704-F708 WeakPolarHBondContact O-CG 3.47Å; C704-F708 PolarHBondContact O-N 2.86Å |
| 705 | I | 97.7 | Very high | 97.7 | Very high | 2 Ų | 2 | 41 Ų | 41 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.2 | -36.8 | -173.5 | -67.4 | -57.2 | 0 | 0 | 0 | 113.1 | F698 V701 K702 E707 F708 M709 I734 M738 Y745 | F698-I705 HydrophobicContact CE2-CD1 4.33Å; F698-I705 HydrophobicContact CE2-CG1 4.3Å; V701-I705 HydrophobicContact CG1-CD1 3.85Å; K702-I705 PolarHBondContact O-N 3.33Å; I705-E707 PolarHBondContact O-N 3.25Å; I705-F708 PolarHBondContact O-N 3.4Å; I705-M709 HydrophobicContact CG2-CG 3.74Å; I705-M709 WeakPolarHBondContact O-CB 3.27Å; I705-M709 WeakPolarHBondContact O-CG 3.34Å; I705-M709 PolarHBondContact O-N 3.13Å; I705-I734 HydrophobicContact CD1-CB 4.49Å; I705-I734 HydrophobicContact CD1-CD1 3.89Å; I705-I734 HydrophobicContact CD1-CG1 3.98Å; I705-I734 HydrophobicContact CD1-CG2 3.67Å; I705-I734 HydrophobicContact CG1-CG2 4.43Å; I705-I734 HydrophobicContact CG2-CG2 4.39Å; I705-M738 HydrophobicContact CG2-CE 4.42Å; I705-M738 HydrophobicContact CG2-SD 4.4Å; I705-Y745 HydrophobicContact CG2-CE2 4.13Å |
| 706 | A | 97.3 | Very high | 97.8 | Very high | 62 Ų | 62 | 37.5 Ų | 37.5 | 51% | 0.512 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.5 | -29.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | C704 P710 | C704-A706 VanDerWaalsContact C-N 3.25Å; C704-A706 PolarHBondContact O-N 3.26Å; C704-A706 VanDerWaalsContact O-N 3.15Å; A706-P710 WeakPolarHBondContact O-CD 3.34Å |
| 707 | E | 97.6 | Very high | 97.8 | Very high | 118 Ų | 118 | 39 Ų | 39 | 55% | 0.551 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -91 | -32.7 | 176.9 | -62.8 | -177.8 | 142.6 | 0 | 0 | 111.8 | F672 C704 I705 P710 | F672-E707 HydrophobicContact CE2-CB 4.17Å; C704-E707 PolarHBondContact O-N 2.92Å; I705-E707 PolarHBondContact O-N 3.25Å; E707-P710 WeakPolarHBondContact O-CD 3.3Å |
| 708 | F | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 40 Ų | 40 | 0% | 0.004 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -78.2 | -38.8 | -176.5 | -70.9 | 1.7 | 0 | 0 | 0 | 113.6 | F672 M675 L690 C704 I705 I711 L712 | F672-F708 HydrophobicContact CB-CE1 3.9Å; F672-F708 HydrophobicContact CD2-CD1 4.13Å; F672-F708 AromaticContact CD2-CE1 3.82Å; F672-F708 HydrophobicContact CD2-CE1 3.82Å; F672-F708 HydrophobicContact CG-CE1 4.34Å; M675-F708 HydrophobicContact CE-CB 3.91Å; M675-F708 HydrophobicContact CE-CD1 4.19Å; M675-F708 HydrophobicContact CE-CD2 4.41Å; M675-F708 HydrophobicContact CE-CG 3.92Å; M675-F708 HydrophobicContact SD-CD1 4.07Å; M675-F708 HydrophobicContact SD-CD2 4.27Å; M675-F708 HydrophobicContact SD-CE1 4.2Å; M675-F708 HydrophobicContact SD-CE2 4.38Å; M675-F708 HydrophobicContact SD-CG 4.11Å; M675-F708 HydrophobicContact SD-CZ 4.34Å; L690-F708 HydrophobicContact CD1-CD2 3.66Å; L690-F708 HydrophobicContact CD1-CE2 3.8Å; L690-F708 HydrophobicContact CD2-CD2 3.99Å; C704-F708 HydrophobicContact CB-CD1 4.18Å; C704-F708 HydrophobicContact CB-CD2 3.88Å; C704-F708 HydrophobicContact CB-CE1 3.85Å; C704-F708 HydrophobicContact CB-CE2 3.55Å; C704-F708 HydrophobicContact CB-CG 4.2Å; C704-F708 HydrophobicContact CB-CZ 3.55Å; C704-F708 WeakPolarHBondContact O-CG 3.47Å; C704-F708 PolarHBondContact O-N 2.86Å; I705-F708 PolarHBondContact O-N 3.4Å; F708-I711 PolarHBondContact O-N 3.44Å; F708-L712 PolarHBondContact O-N 3.35Å |
| 709 | M | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -58.8 | -41.5 | -178.5 | -77.7 | -58 | -54.9 | 0 | 0 | 114.3 | I705 I711 L712 G713 I731 I734 M742 Y745 V749 | I705-M709 HydrophobicContact CG2-CG 3.74Å; I705-M709 WeakPolarHBondContact O-CB 3.27Å; I705-M709 WeakPolarHBondContact O-CG 3.34Å; I705-M709 PolarHBondContact O-N 3.13Å; M709-I711 VanDerWaalsContact C-N 3.33Å; M709-I711 PolarHBondContact O-N 3.3Å; M709-L712 PolarHBondContact O-N 3.31Å; M709-L712 HydrophobicContact SD-CD1 4.01Å; M709-G713 PolarHBondContact O-N 2.89Å; M709-I731 HydrophobicContact CE-CG1 4.3Å; M709-I731 HydrophobicContact CE-CG2 4.3Å; M709-I734 HydrophobicContact SD-CD1 4.44Å; M709-I734 HydrophobicContact SD-CG2 4.31Å; M709-M742 HydrophobicContact CE-CE 3.43Å; M709-M742 VanDerWaalsContact CE-CE 3.43Å; M709-M742 HydrophobicContact SD-CE 3.93Å; M709-Y745 HydrophobicContact CB-CD1 3.56Å; M709-Y745 HydrophobicContact CB-CE1 4.01Å; M709-Y745 HydrophobicContact CB-CG 4.1Å; M709-Y745 HydrophobicContact CG-CD1 3.82Å; M709-Y745 HydrophobicContact CG-CD2 4.4Å; M709-Y745 HydrophobicContact CG-CE1 4.23Å; M709-Y745 HydrophobicContact CG-CG 3.91Å; M709-V749 HydrophobicContact CE-CG1 3.88Å |
| 710 | P | 98.1 | Very high | 97.1 | Very high | 53 Ų | 53 | 45.5 Ų | 45.5 | 34% | 0.344 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -56.7 | -43.1 | 170.6 | -22.8 | 29.9 | 0 | 0 | 0 | 113.8 | A706 E707 G713 T714 M748 | A706-P710 WeakPolarHBondContact O-CD 3.34Å; E707-P710 WeakPolarHBondContact O-CD 3.3Å; P710-G713 PolarHBondContact O-N 3.39Å; P710-T714 PolarHBondContact O-N 3.12Å; P710-T714 PolarHBondContact O-OG1 3.2Å; P710-M748 VanDerWaalsContact CA-CE 3.48Å; P710-M748 HydrophobicContact CB-CE 3.9Å; P710-M748 HydrophobicContact CG-CE 3.92Å |
| 711 | I | 98.5 | Very high | 96.9 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 9% | 0.092 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.2 | -44.8 | -178.5 | -59.6 | 166.2 | 0 | 0 | 0 | 110.6 | F672 M675 Q676 F687 F708 M709 G713 T714 N715 | F672-I711 HydrophobicContact CD2-CD1 3.95Å; F672-I711 HydrophobicContact CE2-CD1 3.74Å; M675-I711 HydrophobicContact CB-CG2 3.94Å; M675-I711 HydrophobicContact CE-CB 4.22Å; M675-I711 HydrophobicContact CE-CG2 4.2Å; M675-I711 WeakPolarHBondContact O-CG2 3.4Å; Q676-I711 HydrophobicContact CG-CD1 3.87Å; Q676-I711 HydrophobicContact CG-CG1 4.36Å; Q676-I711 HydrophobicContact CG-CG2 4.43Å; F687-I711 HydrophobicContact CE1-CG2 4.4Å; F687-I711 HydrophobicContact CZ-CG2 4.39Å; F708-I711 PolarHBondContact O-N 3.44Å; M709-I711 VanDerWaalsContact C-N 3.33Å; M709-I711 PolarHBondContact O-N 3.3Å; I711-G713 VanDerWaalsContact C-N 3.32Å; I711-G713 PolarHBondContact O-N 3.12Å; I711-T714 WeakPolarHBondContact CA-OG1 3.43Å; I711-T714 PolarHBondContact O-N 2.73Å; I711-T714 PolarHBondContact O-OG1 3.45Å; I711-N715 PolarHBondContact O-N 3.13Å; I711-N715 VanDerWaalsContact O-N 3.13Å; I711-N715 PolarHBondContact O-ND2 3.27Å |
| 712 | L | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -57.9 | -46.2 | 173.7 | -73.1 | 166.4 | 0 | 0 | 0 | 110.9 | M675 F687 L690 F708 M709 T714 N715 L716 A727 A730 I731 I734 | M675-L712 HydrophobicContact CE-CG 4.25Å; F687-L712 HydrophobicContact CD1-CD2 3.5Å; F687-L712 VanDerWaalsContact CD1-CD2 3.5Å; F687-L712 HydrophobicContact CE1-CD2 3.74Å; F687-L712 HydrophobicContact CE1-CG 4.45Å; F687-L712 HydrophobicContact CG-CD2 4.09Å; F687-L712 HydrophobicContact CZ-CD2 4.49Å; L690-L712 HydrophobicContact CD2-CD1 4.01Å; L690-L712 HydrophobicContact CD2-CD2 4.37Å; L690-L712 HydrophobicContact CD2-CG 4.47Å; F708-L712 PolarHBondContact O-N 3.35Å; M709-L712 PolarHBondContact O-N 3.31Å; M709-L712 HydrophobicContact SD-CD1 4.01Å; L712-T714 VanDerWaalsContact C-N 3.28Å; L712-T714 PolarHBondContact O-N 3.06Å; L712-N715 CarbonylContact O-C 3.36Å; L712-N715 PolarHBondContact O-N 3.46Å; L712-L716 PolarHBondContact O-N 2.91Å; L712-A727 HydrophobicContact CD2-CB 3.94Å; L712-A730 HydrophobicContact CD2-CB 4.24Å; L712-I731 HydrophobicContact CB-CD1 4.03Å; L712-I731 HydrophobicContact CB-CG1 3.91Å; L712-I731 HydrophobicContact CD1-CG1 3.97Å; L712-I731 HydrophobicContact CG-CG1 4.36Å; L712-I734 HydrophobicContact CD1-CD1 3.69Å |
| 713 | G | 97.6 | Very high | 96.6 | Very high | 5 Ų | 5 | 43.4 Ų | 43.4 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.7 | -32.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114 | M709 P710 I711 N715 Q752 | M709-G713 PolarHBondContact O-N 2.89Å; P710-G713 PolarHBondContact O-N 3.39Å; I711-G713 VanDerWaalsContact C-N 3.32Å; I711-G713 PolarHBondContact O-N 3.12Å; G713-N715 VanDerWaalsContact C-N 3.35Å; G713-Q752 PolarHBondContact O-NE2 2.92Å; G713-Q752 PolarHBondContact O-OE1 3.34Å; G713-Q752 VanDerWaalsContact O-OE1 3.06Å |
| 714 | T | 97.3 | Very high | 96.6 | Very high | 104 Ų | 104 | 38.7 Ų | 38.7 | 64% | 0.638 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -77.4 | -19.3 | 173.8 | 52.8 | 0 | 0 | 0 | 0 | 114 | P710 I711 L712 | P710-T714 PolarHBondContact O-N 3.12Å; P710-T714 PolarHBondContact O-OG1 3.2Å; I711-T714 WeakPolarHBondContact CA-OG1 3.43Å; I711-T714 PolarHBondContact O-N 2.73Å; I711-T714 PolarHBondContact O-OG1 3.45Å; L712-T714 VanDerWaalsContact C-N 3.28Å; L712-T714 PolarHBondContact O-N 3.06Å |
| 715 | N | 98.1 | Very high | 96.6 | Very high | 20 Ų | 20 | 37.6 Ų | 37.6 | 11% | 0.107 | 21% | 0.209 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | 5.9 | 179.1 | -78.6 | -87.2 | 0 | 0 | 0 | 113.1 | R683 F687 I711 L712 G713 N717 V723 C724 A727 | R683-N715 WeakPolarHBondContact CD-OD1 3.4Å; R683-N715 PolarHBondContact NE-OD1 3.2Å; F687-N715 HydrophobicContact CE2-CB 3.64Å; F687-N715 HydrophobicContact CZ-CB 3.78Å; I711-N715 PolarHBondContact O-N 3.13Å; I711-N715 VanDerWaalsContact O-N 3.13Å; I711-N715 PolarHBondContact O-ND2 3.27Å; L712-N715 CarbonylContact O-C 3.36Å; L712-N715 PolarHBondContact O-N 3.46Å; G713-N715 VanDerWaalsContact C-N 3.35Å; N715-N717 PolarHBondContact O-N 3.08Å; N715-V723 HydrophobicContact CB-CG1 4.22Å; N715-C724 WeakPolarHBondContact O-CA 3.15Å; N715-A727 HydrophobicContact CB-CB 4.26Å |
| 716 | L | 98.1 | Very high | 96.6 | Very high | 4 Ų | 4 | 37.5 Ų | 37.5 | 2% | 0.021 | 21% | 0.208 | C | C | . | . | trans | -75.1 | 47.3 | 163.5 | -64.2 | 179.7 | 0 | 0 | 0 | 111 | L712 T728 I731 V749 Q752 L753 I756 | L712-L716 PolarHBondContact O-N 2.91Å; L716-T728 WeakPolarHBondContact CD2-OG1 3.47Å; L716-I731 HydrophobicContact CD1-CD1 3.99Å; L716-I731 HydrophobicContact CD2-CD1 3.97Å; L716-I731 HydrophobicContact CG-CD1 4.17Å; L716-V749 HydrophobicContact CD1-CB 3.92Å; L716-V749 HydrophobicContact CD1-CG1 4.13Å; L716-Q752 HydrophobicContact CB-CB 4.04Å; L716-Q752 HydrophobicContact CD1-CB 3.98Å; L716-Q752 PolarHBondContact O-OE1 3.48Å; L716-L753 HydrophobicContact CD1-CD2 4.1Å; L716-L753 HydrophobicContact CD1-CG 4.11Å; L716-L753 HydrophobicContact CD2-CD2 4.03Å; L716-I756 HydrophobicContact CB-CD1 4.14Å; L716-I756 HydrophobicContact CD2-CD1 4.49Å | ||
| 717 | N | 95.6 | Very high | 96.7 | Very high | 52 Ų | 52 | 34.5 Ų | 34.5 | 28% | 0.278 | 18% | 0.184 | S | C | . | . | trans | -105.8 | 108.5 | 177 | 179.4 | 5.6 | 0 | 0 | 0 | 109.1 | N715 E719 F720 | N715-N717 PolarHBondContact O-N 3.08Å; N717-E719 PolarHBondContact ND2-OE2 2.75Å; N717-E719 PolarHBondContact O-N 2.81Å; N717-E719 VanDerWaalsContact O-N 3.08Å; N717-E719 WeakPolarHBondContact OD1-CB 3.35Å; N717-E719 WeakPolarHBondContact OD1-CG 3.31Å; N717-E719 PolarHBondContact OD1-N 2.9Å; N717-F720 PolarHBondContact O-N 3.27Å; N717-F720 VanDerWaalsContact O-N 3.12Å | ||
| 718 | P | 92.1 | Very high | 96.7 | Very high | 23 Ų | 23 | 28.9 Ų | 28.9 | 15% | 0.149 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.2 | 12.9 | -176 | 38.5 | -40.5 | 0 | 0 | 0 | 113 | F720 I721 I756 R759 L766 | P718-F720 VanDerWaalsContact C-N 3.29Å; P718-I721 HydrophobicContact CB-CD1 4.41Å; P718-I721 WeakPolarHBondContact O-CD1 3.49Å; P718-I756 HydrophobicContact CB-CG1 4.41Å; P718-I756 HydrophobicContact CG-CG1 4.32Å; P718-R759 VanDerWaalsContact CG-NH1 3.31Å; P718-R759 PolarHBondContact O-NH1 2.91Å; P718-L766 HydrophobicContact CB-CD2 4.41Å |
| 719 | E | 92.4 | Very high | 96.7 | Very high | 144 Ų | 144 | 29.4 Ų | 29.4 | 67% | 0.673 | 16% | 0.16 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -30.6 | 158.9 | -68.8 | 176.8 | 159.2 | 0 | 0 | 111.7 | N717 | N717-E719 PolarHBondContact ND2-OE2 2.75Å; N717-E719 PolarHBondContact O-N 2.81Å; N717-E719 VanDerWaalsContact O-N 3.08Å; N717-E719 WeakPolarHBondContact OD1-CB 3.35Å; N717-E719 WeakPolarHBondContact OD1-CG 3.31Å; N717-E719 PolarHBondContact OD1-N 2.9Å |
| 720 | F | 94.2 | Very high | 96.7 | Very high | 87 Ų | 87 | 29.4 Ų | 29.4 | 38% | 0.382 | 16% | 0.16 | S | C | . | . | S | Bend | trans | -112 | 82.6 | 175 | -57.4 | -77 | 0 | 0 | 0 | 108.9 | P680 N717 P718 S722 V723 C724 | P680-F720 HydrophobicContact CB-CD1 3.94Å; P680-F720 HydrophobicContact CB-CE1 4.38Å; P680-F720 HydrophobicContact CG-CD1 3.68Å; P680-F720 HydrophobicContact CG-CE1 3.6Å; P680-F720 HydrophobicContact CG-CZ 4.43Å; N717-F720 PolarHBondContact O-N 3.27Å; N717-F720 VanDerWaalsContact O-N 3.12Å; P718-F720 VanDerWaalsContact C-N 3.29Å; F720-S722 PolarHBondContact O-N 2.93Å; F720-V723 HydrophobicContact CB-CB 3.9Å; F720-V723 HydrophobicContact CB-CG2 3.88Å; F720-V723 PolarHBondContact O-N 3.04Å; F720-C724 VanDerWaalsContact O-CB 3.3Å; F720-C724 WeakPolarHBondContact O-CB 3.29Å; F720-C724 PolarHBondContact O-N 3.21Å |
| 721 | I | 93.3 | Very high | 96.8 | Very high | 50 Ų | 50 | 26.9 Ų | 26.9 | 26% | 0.256 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -52.4 | -54.3 | -170.5 | -64.2 | -61 | 0 | 0 | 0 | 112.2 | P718 V723 C724 N725 P763 L766 | P718-I721 HydrophobicContact CB-CD1 4.41Å; P718-I721 WeakPolarHBondContact O-CD1 3.49Å; I721-V723 PolarHBondContact O-N 3.49Å; I721-C724 WeakPolarHBondContact O-CB 3.43Å; I721-C724 PolarHBondContact O-N 2.99Å; I721-N725 WeakPolarHBondContact O-CB 3.43Å; I721-N725 PolarHBondContact O-N 3.27Å; I721-P763 HydrophobicContact CD1-CG 4.28Å; I721-P763 HydrophobicContact CG1-CG 4.21Å; I721-P763 HydrophobicContact CG2-CB 4.13Å; I721-P763 HydrophobicContact CG2-CG 3.8Å; I721-L766 HydrophobicContact CD1-CD2 3.85Å; I721-L766 HydrophobicContact CG2-CB 4.44Å; I721-L766 HydrophobicContact CG2-CD2 4.25Å |
| 722 | S | 93.1 | Very high | 96.8 | Very high | 41 Ų | 41 | 26 Ų | 26 | 29% | 0.287 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -67.7 | -35.3 | -174 | -44.1 | 0 | 0 | 0 | 0 | 112.6 | Q684 F720 N725 N726 | Q684-S722 VanDerWaalsContact OE1-CB 3.28Å; F720-S722 PolarHBondContact O-N 2.93Å; S722-N725 PolarHBondContact O-N 3.04Å; S722-N726 PolarHBondContact O-N 3.4Å |
| 723 | V | 97.2 | Very high | 96.7 | Very high | 4 Ų | 4 | 26.5 Ų | 26.5 | 2% | 0.024 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.4 | -49.2 | 171.5 | -176.3 | 0 | 0 | 0 | 0 | 110.6 | P680 R683 Q684 F687 N715 F720 I721 N725 N726 A727 | P680-V723 HydrophobicContact CB-CG2 3.77Å; P680-V723 VanDerWaalsContact O-CG2 3.26Å; P680-V723 WeakPolarHBondContact O-CG2 3.06Å; R683-V723 HydrophobicContact CB-CG1 4.09Å; Q684-V723 HydrophobicContact CB-CG2 4.03Å; F687-V723 HydrophobicContact CD2-CG1 4.03Å; F687-V723 HydrophobicContact CE2-CG1 3.62Å; N715-V723 HydrophobicContact CB-CG1 4.22Å; F720-V723 HydrophobicContact CB-CB 3.9Å; F720-V723 HydrophobicContact CB-CG2 3.88Å; F720-V723 PolarHBondContact O-N 3.04Å; I721-V723 PolarHBondContact O-N 3.49Å; V723-N725 VanDerWaalsContact C-N 3.28Å; V723-N725 PolarHBondContact O-N 3.13Å; V723-N726 PolarHBondContact O-N 2.85Å; V723-A727 VanDerWaalsContact O-CB 3.29Å; V723-A727 WeakPolarHBondContact O-CB 3.27Å; V723-A727 PolarHBondContact O-N 2.98Å |
| 724 | C | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.9 | -38.5 | 179.4 | -173.5 | 0 | 0 | 0 | 0 | 111.3 | N715 F720 I721 T728 L766 | N715-C724 WeakPolarHBondContact O-CA 3.15Å; F720-C724 VanDerWaalsContact O-CB 3.3Å; F720-C724 WeakPolarHBondContact O-CB 3.29Å; F720-C724 PolarHBondContact O-N 3.21Å; I721-C724 WeakPolarHBondContact O-CB 3.43Å; I721-C724 PolarHBondContact O-N 2.99Å; C724-T728 WeakPolarHBondContact O-CB 3.23Å; C724-T728 PolarHBondContact O-N 3.1Å; C724-T728 PolarHBondContact O-OG1 3.46Å; C724-L766 HydrophobicContact CB-CD1 4.39Å; C724-L766 HydrophobicContact CB-CD2 4.48Å |
| 725 | N | 97.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 21.3 Ų | 21.3 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.7 | -55.8 | 176.8 | -178.8 | 73.2 | 0 | 0 | 0 | 111.4 | V343 I721 S722 V723 A727 T728 W729 T765 L766 N769 | V343-N725 PolarHBondContact O-ND2 3.13Å; I721-N725 WeakPolarHBondContact O-CB 3.43Å; I721-N725 PolarHBondContact O-N 3.27Å; S722-N725 PolarHBondContact O-N 3.04Å; V723-N725 VanDerWaalsContact C-N 3.28Å; V723-N725 PolarHBondContact O-N 3.13Å; N725-A727 VanDerWaalsContact C-N 3.34Å; N725-A727 PolarHBondContact O-N 2.9Å; N725-T728 WeakPolarHBondContact O-CB 3.26Å; N725-T728 PolarHBondContact O-N 3.18Å; N725-W729 PolarHBondContact O-N 2.74Å; N725-T765 PolarHBondContact OD1-O 3.49Å; N725-L766 HydrophobicContact CB-CD1 4.06Å; N725-L766 WeakPolarHBondContact OD1-CA 3.26Å; N725-N769 PolarHBondContact ND2-ND2 2.92Å; N725-N769 PolarHBondContact OD1-ND2 3.08Å |
| 726 | N | 98 | Very high | 96.8 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.7 | -35.8 | -178.3 | -69.5 | 7.7 | 0 | 0 | 0 | 111.9 | R341 V343 Q684 F687 S722 V723 W729 A730 | R341-N726 PolarHBondContact O-ND2 2.83Å; V343-N726 PolarHBondContact N-OD1 3.11Å; Q684-N726 VanDerWaalsContact CG-ND2 3.25Å; Q684-N726 WeakPolarHBondContact CG-ND2 3.5Å; Q684-N726 PolarHBondContact O-ND2 3.47Å; F687-N726 HydrophobicContact CB-CB 3.91Å; S722-N726 PolarHBondContact O-N 3.4Å; V723-N726 PolarHBondContact O-N 2.85Å; N726-W729 PolarHBondContact O-N 3.02Å; N726-A730 VanDerWaalsContact O-CB 3.3Å; N726-A730 WeakPolarHBondContact O-CB 3.44Å; N726-A730 PolarHBondContact O-N 3.47Å |
| 727 | A | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.6 | -44.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F687 L712 N715 V723 N725 A730 I731 | F687-A727 HydrophobicContact CD2-CB 3.8Å; F687-A727 HydrophobicContact CE2-CB 4.07Å; F687-A727 HydrophobicContact CG-CB 4.22Å; L712-A727 HydrophobicContact CD2-CB 3.94Å; N715-A727 HydrophobicContact CB-CB 4.26Å; V723-A727 VanDerWaalsContact O-CB 3.29Å; V723-A727 WeakPolarHBondContact O-CB 3.27Å; V723-A727 PolarHBondContact O-N 2.98Å; N725-A727 VanDerWaalsContact C-N 3.34Å; N725-A727 PolarHBondContact O-N 2.9Å; A727-A730 PolarHBondContact O-N 2.84Å; A727-I731 WeakPolarHBondContact O-CD1 3.41Å; A727-I731 VanDerWaalsContact O-CG1 3.25Å; A727-I731 WeakPolarHBondContact O-CG1 3.38Å; A727-I731 PolarHBondContact O-N 3.47Å |
| 728 | T | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.9 | -46.5 | 177.4 | -64.5 | 0 | 0 | 0 | 0 | 111.5 | L716 C724 N725 I731 G732 L753 N769 T773 | L716-T728 WeakPolarHBondContact CD2-OG1 3.47Å; C724-T728 WeakPolarHBondContact O-CB 3.23Å; C724-T728 PolarHBondContact O-N 3.1Å; C724-T728 PolarHBondContact O-OG1 3.46Å; N725-T728 WeakPolarHBondContact O-CB 3.26Å; N725-T728 PolarHBondContact O-N 3.18Å; T728-I731 PolarHBondContact O-N 3Å; T728-G732 PolarHBondContact O-N 3.16Å; T728-L753 HydrophobicContact CG2-CD2 3.65Å; T728-N769 HydrophobicContact CG2-CB 4.44Å; T728-T773 HydrophobicContact CG2-CG2 4.38Å; T728-T773 WeakPolarHBondContact O-CG2 3.31Å; T728-T773 PolarHBondContact O-OG1 2.84Å |
| 729 | W | 98.3 | Very high | 97 | Very high | 11 Ų | 11 | 25.4 Ų | 25.4 | 4% | 0.042 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63 | -46.6 | 177.4 | 174.5 | 82 | 0 | 0 | 0 | 111.9 | V343 A688 G691 D692 K695 N725 N726 I731 G732 E733 | V343-W729 HydrophobicContact CB-CD2 4.38Å; V343-W729 HydrophobicContact CB-CG 4.43Å; V343-W729 HydrophobicContact CG1-CD2 3.83Å; V343-W729 HydrophobicContact CG1-CE3 4.38Å; V343-W729 HydrophobicContact CG1-CG 3.86Å; V343-W729 HydrophobicContact CG1-CZ2 4.45Å; V343-W729 HydrophobicContact CG2-CD2 4.27Å; V343-W729 HydrophobicContact CG2-CE3 3.99Å; V343-W729 HydrophobicContact CG2-CZ3 4.21Å; A688-W729 WeakPolarHBondContact O-CZ3 3.45Å; G691-W729 VanDerWaalsContact CA-CZ3 3.43Å; D692-W729 WeakPolarHBondContact OD1-CH2 3.25Å; K695-W729 HydrophobicContact CD-CZ2 4.49Å; N725-W729 PolarHBondContact O-N 2.74Å; N726-W729 PolarHBondContact O-N 3.02Å; W729-I731 VanDerWaalsContact C-N 3.33Å; W729-I731 PolarHBondContact O-N 3.4Å; W729-G732 WeakPolarHBondContact O-CA 3.4Å; W729-G732 PolarHBondContact O-N 2.88Å; W729-E733 HydrophobicContact CD2-CG 4.26Å; W729-E733 HydrophobicContact CH2-CG 4.34Å; W729-E733 HydrophobicContact CZ2-CG 3.8Å; W729-E733 PolarHBondContact O-N 3.42Å |
| 730 | A | 98.6 | Very high | 97.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59.8 | -39.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L712 N726 A727 G732 E733 I734 | L712-A730 HydrophobicContact CD2-CB 4.24Å; N726-A730 VanDerWaalsContact O-CB 3.3Å; N726-A730 WeakPolarHBondContact O-CB 3.44Å; N726-A730 PolarHBondContact O-N 3.47Å; A727-A730 PolarHBondContact O-N 2.84Å; A730-G732 VanDerWaalsContact C-N 3.28Å; A730-G732 PolarHBondContact O-N 3.3Å; A730-E733 PolarHBondContact O-N 2.95Å; A730-I734 WeakPolarHBondContact O-CB 3.4Å; A730-I734 WeakPolarHBondContact O-CD1 3.44Å; A730-I734 VanDerWaalsContact O-CG1 3.26Å; A730-I734 WeakPolarHBondContact O-CG1 3.14Å; A730-I734 PolarHBondContact O-N 3.41Å |
| 731 | I | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.9 | -42 | 172.7 | -68.3 | 160.9 | 0 | 0 | 0 | 110.7 | M709 L712 L716 A727 T728 W729 I734 C735 M742 V749 T773 | M709-I731 HydrophobicContact CE-CG1 4.3Å; M709-I731 HydrophobicContact CE-CG2 4.3Å; L712-I731 HydrophobicContact CB-CD1 4.03Å; L712-I731 HydrophobicContact CB-CG1 3.91Å; L712-I731 HydrophobicContact CD1-CG1 3.97Å; L712-I731 HydrophobicContact CG-CG1 4.36Å; L716-I731 HydrophobicContact CD1-CD1 3.99Å; L716-I731 HydrophobicContact CD2-CD1 3.97Å; L716-I731 HydrophobicContact CG-CD1 4.17Å; A727-I731 WeakPolarHBondContact O-CD1 3.41Å; A727-I731 VanDerWaalsContact O-CG1 3.25Å; A727-I731 WeakPolarHBondContact O-CG1 3.38Å; A727-I731 PolarHBondContact O-N 3.47Å; T728-I731 PolarHBondContact O-N 3Å; W729-I731 VanDerWaalsContact C-N 3.33Å; W729-I731 PolarHBondContact O-N 3.4Å; I731-I734 PolarHBondContact O-N 2.98Å; I731-C735 WeakPolarHBondContact O-CB 3.38Å; I731-C735 PolarHBondContact O-N 2.94Å; I731-M742 HydrophobicContact CG2-CE 4.01Å; I731-V749 HydrophobicContact CD1-CB 4.41Å; I731-V749 HydrophobicContact CD1-CG1 3.92Å; I731-V749 HydrophobicContact CG2-CG2 4.39Å; I731-T773 HydrophobicContact CB-CG2 4.17Å; I731-T773 HydrophobicContact CG2-CG2 3.87Å |
| 732 | G | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.2 | -45.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T728 W729 A730 C735 M736 | T728-G732 PolarHBondContact O-N 3.16Å; W729-G732 WeakPolarHBondContact O-CA 3.4Å; W729-G732 PolarHBondContact O-N 2.88Å; A730-G732 VanDerWaalsContact C-N 3.28Å; A730-G732 PolarHBondContact O-N 3.3Å; G732-C735 WeakPolarHBondContact O-CB 3.22Å; G732-C735 PolarHBondContact O-N 3.46Å; G732-M736 PolarHBondContact O-N 3.42Å |
| 733 | E | 97.8 | Very high | 97.7 | Very high | 10 Ų | 10 | 25 Ų | 25 | 5% | 0.047 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -66.1 | -43.7 | 176.8 | -66 | -56.1 | 146.2 | 0 | 0 | 112.1 | T694 K695 W729 A730 C735 M736 Q737 R776 | T694-E733 HydrophobicContact CG2-CB 4.13Å; K695-E733 HydrophobicContact CD-CG 4.34Å; K695-E733 HydrophobicContact CG-CG 4.2Å; K695-E733 WeakPolarHBondContact CG-OE2 3.29Å; W729-E733 HydrophobicContact CD2-CG 4.26Å; W729-E733 HydrophobicContact CH2-CG 4.34Å; W729-E733 HydrophobicContact CZ2-CG 3.8Å; W729-E733 PolarHBondContact O-N 3.42Å; A730-E733 PolarHBondContact O-N 2.95Å; E733-C735 VanDerWaalsContact C-N 3.28Å; E733-C735 PolarHBondContact O-N 3.4Å; E733-M736 PolarHBondContact O-N 2.69Å; E733-Q737 PolarHBondContact O-N 3.27Å; E733-R776 VanDerWaalsContact CD-NH1 3.3Å; E733-R776 IonicContact OE1-CZ 3.74Å; E733-R776 VanDerWaalsContact OE1-CZ 3.23Å; E733-R776 IonicContact OE1-NH1 2.77Å; E733-R776 PolarHBondContact OE1-NH1 3.31Å; E733-R776 IonicContact OE1-NH2 3.76Å; E733-R776 PolarHBondContact OE1-NH2 3.44Å; E733-R776 IonicContact OE2-NH1 3.03Å; E733-R776 IonicContact OE2-NH2 2.63Å |
| 734 | I | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60 | -42.8 | 176 | -69.9 | 164.9 | 0 | 0 | 0 | 110.5 | L690 T694 I705 M709 L712 A730 I731 M736 Q737 M738 M742 | L690-I734 HydrophobicContact CD2-CD1 4.15Å; L690-I734 HydrophobicContact CG-CD1 4.35Å; T694-I734 HydrophobicContact CG2-CB 4.37Å; T694-I734 HydrophobicContact CG2-CG1 3.84Å; I705-I734 HydrophobicContact CD1-CB 4.49Å; I705-I734 HydrophobicContact CD1-CD1 3.89Å; I705-I734 HydrophobicContact CD1-CG1 3.98Å; I705-I734 HydrophobicContact CD1-CG2 3.67Å; I705-I734 HydrophobicContact CG1-CG2 4.43Å; I705-I734 HydrophobicContact CG2-CG2 4.39Å; M709-I734 HydrophobicContact SD-CD1 4.44Å; M709-I734 HydrophobicContact SD-CG2 4.31Å; L712-I734 HydrophobicContact CD1-CD1 3.69Å; A730-I734 WeakPolarHBondContact O-CB 3.4Å; A730-I734 WeakPolarHBondContact O-CD1 3.44Å; A730-I734 VanDerWaalsContact O-CG1 3.26Å; A730-I734 WeakPolarHBondContact O-CG1 3.14Å; A730-I734 PolarHBondContact O-N 3.41Å; I731-I734 PolarHBondContact O-N 2.98Å; I734-M736 VanDerWaalsContact C-N 3.3Å; I734-M736 PolarHBondContact O-N 3.45Å; I734-Q737 PolarHBondContact O-N 2.9Å; I734-M738 HydrophobicContact CG2-CG 3.91Å; I734-M738 WeakPolarHBondContact O-CB 3.43Å; I734-M738 WeakPolarHBondContact O-CG 3.42Å; I734-M738 PolarHBondContact O-N 3.46Å; I734-M742 HydrophobicContact CG2-SD 4.48Å |
| 735 | C | 97.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -55.9 | -45.7 | 178.6 | 170.2 | 0 | 0 | 0 | 0 | 111.6 | I731 G732 E733 Q737 M738 G739 M742 R776 L777 V780 | I731-C735 WeakPolarHBondContact O-CB 3.38Å; I731-C735 PolarHBondContact O-N 2.94Å; G732-C735 WeakPolarHBondContact O-CB 3.22Å; G732-C735 PolarHBondContact O-N 3.46Å; E733-C735 VanDerWaalsContact C-N 3.28Å; E733-C735 PolarHBondContact O-N 3.4Å; C735-Q737 VanDerWaalsContact C-N 3.31Å; C735-Q737 PolarHBondContact O-N 2.92Å; C735-M738 PolarHBondContact O-N 2.95Å; C735-G739 PolarHBondContact O-N 3.18Å; C735-G739 VanDerWaalsContact O-N 3.07Å; C735-M742 HydrophobicContact CB-CE 4.34Å; C735-M742 HydrophobicContact CB-CG 4.35Å; C735-R776 PolarHBondContact SG-O 2.92Å; C735-L777 HydrophobicContact CB-CD2 4.11Å; C735-L777 VanDerWaalsContact SG-CA 3.59Å; C735-V780 WeakPolarHBondContact SG-CG2 3.49Å |
| 736 | M | 97.6 | Very high | 97.6 | Very high | 61 Ų | 61 | 31.1 Ų | 31.1 | 30% | 0.3 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -65.1 | -32.8 | 179.8 | -69.1 | -58.2 | -64.7 | 0 | 0 | 113 | G732 E733 I734 R776 Y779 | G732-M736 PolarHBondContact O-N 3.42Å; E733-M736 PolarHBondContact O-N 2.69Å; I734-M736 VanDerWaalsContact C-N 3.3Å; I734-M736 PolarHBondContact O-N 3.45Å; M736-R776 HydrophobicContact CG-CB 4.27Å; M736-R776 HydrophobicContact CG-CG 3.96Å; M736-R776 HydrophobicContact SD-CB 3.96Å; M736-R776 HydrophobicContact SD-CG 3.75Å; M736-Y779 HydrophobicContact CE-CD1 3.91Å; M736-Y779 HydrophobicContact CE-CE1 3.88Å; M736-Y779 HydrophobicContact SD-CD1 3.88Å; M736-Y779 HydrophobicContact SD-CE1 4.45Å |
| 737 | Q | 97.6 | Very high | 97.5 | Very high | 85 Ų | 85 | 35 Ų | 35 | 40% | 0.397 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -81.7 | -33.1 | 177.9 | -61.3 | -61.6 | -28.8 | 0 | 0 | 113.5 | T694 F698 E733 I734 C735 | T694-Q737 HydrophobicContact CG2-CB 4.31Å; T694-Q737 HydrophobicContact CG2-CG 3.69Å; F698-Q737 HydrophobicContact CB-CB 4.33Å; F698-Q737 HydrophobicContact CB-CG 4.21Å; F698-Q737 HydrophobicContact CD1-CB 3.62Å; F698-Q737 HydrophobicContact CD1-CG 4.41Å; F698-Q737 HydrophobicContact CD2-CB 3.66Å; F698-Q737 HydrophobicContact CD2-CG 4.04Å; F698-Q737 HydrophobicContact CE1-CB 3.69Å; F698-Q737 HydrophobicContact CE2-CB 3.77Å; F698-Q737 HydrophobicContact CG-CB 3.59Å; F698-Q737 HydrophobicContact CG-CG 3.97Å; F698-Q737 HydrophobicContact CZ-CB 3.78Å; E733-Q737 PolarHBondContact O-N 3.27Å; I734-Q737 PolarHBondContact O-N 2.9Å; C735-Q737 VanDerWaalsContact C-N 3.31Å; C735-Q737 PolarHBondContact O-N 2.92Å |
| 738 | M | 97.2 | Very high | 97.3 | Very high | 16 Ų | 16 | 38.6 Ų | 38.6 | 8% | 0.079 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -76 | -32.2 | 179.8 | -78.1 | -67.4 | -69.5 | 0 | 0 | 113.3 | F698 K702 I705 I734 C735 V740 E741 M742 Y745 | F698-M738 HydrophobicContact CE1-SD 4.25Å; F698-M738 HydrophobicContact CZ-CG 3.79Å; F698-M738 HydrophobicContact CZ-SD 3.63Å; K702-M738 HydrophobicContact CG-SD 4.45Å; I705-M738 HydrophobicContact CG2-CE 4.42Å; I705-M738 HydrophobicContact CG2-SD 4.4Å; I734-M738 HydrophobicContact CG2-CG 3.91Å; I734-M738 WeakPolarHBondContact O-CB 3.43Å; I734-M738 WeakPolarHBondContact O-CG 3.42Å; I734-M738 PolarHBondContact O-N 3.46Å; C735-M738 PolarHBondContact O-N 2.95Å; M738-V740 PolarHBondContact O-N 2.77Å; M738-E741 HydrophobicContact CE-CB 3.39Å; M738-E741 WeakPolarHBondContact CE-O 3.3Å; M738-E741 WeakPolarHBondContact O-CB 3.46Å; M738-E741 PolarHBondContact O-N 3.34Å; M738-E741 HydrophobicContact SD-CB 4.45Å; M738-M742 HydrophobicContact CB-CB 4.08Å; M738-Y745 HydrophobicContact CE-CE2 4.26Å |
| 739 | G | 96 | Very high | 97.3 | Very high | 23 Ų | 23 | 38.6 Ų | 38.6 | 24% | 0.237 | 22% | 0.215 | C | C | . | . | G | 310 helix | trans | 56.9 | -133.8 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | C735 E741 M742 | C735-G739 PolarHBondContact O-N 3.18Å; C735-G739 VanDerWaalsContact O-N 3.07Å; G739-E741 PolarHBondContact O-N 3.5Å; G739-E741 VanDerWaalsContact O-N 3.17Å; G739-M742 WeakPolarHBondContact O-CB 3.4Å; G739-M742 PolarHBondContact O-N 2.92Å |
| 740 | V | 94.8 | Very high | 97.3 | Very high | 114 Ų | 114 | 38.5 Ų | 38.5 | 69% | 0.691 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -63.9 | -20.4 | -178 | -61.2 | 0 | 0 | 0 | 0 | 114 | M738 M742 Q743 | M738-V740 PolarHBondContact O-N 2.77Å; V740-M742 PolarHBondContact O-N 2.92Å; V740-M742 VanDerWaalsContact O-N 3.15Å; V740-Q743 WeakPolarHBondContact O-CB 3.25Å; V740-Q743 PolarHBondContact O-N 2.72Å |
| 741 | E | 97.3 | Very high | 97.2 | Very high | 102 Ų | 102 | 43.4 Ų | 43.4 | 48% | 0.477 | 24% | 0.242 | S | C | . | . | G | 310 helix | trans | -67 | -10.4 | 175.1 | -63.9 | 178.9 | -126 | 0 | 0 | 112 | K702 M738 G739 Q743 P744 | K702-E741 VanDerWaalsContact CE-OE2 3.29Å; K702-E741 WeakPolarHBondContact CE-OE2 3.29Å; K702-E741 IonicContact NZ-OE1 2.82Å; K702-E741 PolarHBondContact NZ-OE1 3.47Å; K702-E741 IonicContact NZ-OE2 2.87Å; K702-E741 PolarHBondContact NZ-OE2 3.25Å; M738-E741 HydrophobicContact CE-CB 3.39Å; M738-E741 WeakPolarHBondContact CE-O 3.3Å; M738-E741 WeakPolarHBondContact O-CB 3.46Å; M738-E741 PolarHBondContact O-N 3.34Å; M738-E741 HydrophobicContact SD-CB 4.45Å; G739-E741 PolarHBondContact O-N 3.5Å; G739-E741 VanDerWaalsContact O-N 3.17Å; E741-Q743 VanDerWaalsContact C-N 3.26Å; E741-Q743 PolarHBondContact O-N 3.03Å; E741-P744 WeakPolarHBondContact O-CD 3.12Å |
| 742 | M | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -71.1 | -19.4 | 174.7 | -168.4 | 58.7 | 175.9 | 0 | 0 | 113.3 | M709 I731 I734 C735 M738 G739 V740 P744 Y745 I746 L777 V780 | M709-M742 HydrophobicContact CE-CE 3.43Å; M709-M742 VanDerWaalsContact CE-CE 3.43Å; M709-M742 HydrophobicContact SD-CE 3.93Å; I731-M742 HydrophobicContact CG2-CE 4.01Å; I734-M742 HydrophobicContact CG2-SD 4.48Å; C735-M742 HydrophobicContact CB-CE 4.34Å; C735-M742 HydrophobicContact CB-CG 4.35Å; M738-M742 HydrophobicContact CB-CB 4.08Å; G739-M742 WeakPolarHBondContact O-CB 3.4Å; G739-M742 PolarHBondContact O-N 2.92Å; V740-M742 PolarHBondContact O-N 2.92Å; V740-M742 VanDerWaalsContact O-N 3.15Å; M742-P744 VanDerWaalsContact C-N 3.34Å; M742-P744 VanDerWaalsContact O-N 3.12Å; M742-Y745 PolarHBondContact O-N 2.97Å; M742-Y745 HydrophobicContact SD-CD2 4.09Å; M742-I746 HydrophobicContact CG-CG1 4.45Å; M742-L777 HydrophobicContact CE-CD2 3.9Å; M742-L777 HydrophobicContact CG-CD2 4.11Å; M742-V780 HydrophobicContact CB-CG2 4.2Å |
| 743 | Q | 97.4 | Very high | 97.2 | Very high | 97 Ų | 97 | 46.4 Ų | 46.4 | 45% | 0.453 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -47.7 | -42 | -172.7 | -170.1 | -98.3 | -19.1 | 0 | 0 | 115.3 | V740 E741 Y745 I746 E784 | V740-Q743 WeakPolarHBondContact O-CB 3.25Å; V740-Q743 PolarHBondContact O-N 2.72Å; E741-Q743 VanDerWaalsContact C-N 3.26Å; E741-Q743 PolarHBondContact O-N 3.03Å; Q743-Y745 PolarHBondContact O-N 3.34Å; Q743-I746 PolarHBondContact O-N 3.44Å; Q743-E784 HydrophobicContact CG-CG 4.19Å; Q743-E784 PolarHBondContact NE2-OE1 3.34Å |
| 744 | P | 97.6 | Very high | 97.2 | Very high | 86 Ų | 86 | 46.1 Ų | 46.1 | 56% | 0.558 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -64.2 | -22.7 | 179.8 | -22.2 | 35.1 | 0 | 0 | 0 | 114.7 | E741 M742 | E741-P744 WeakPolarHBondContact O-CD 3.12Å; M742-P744 VanDerWaalsContact C-N 3.34Å; M742-P744 VanDerWaalsContact O-N 3.12Å |
| 745 | Y | 97.9 | Very high | 97.2 | Very high | 44 Ų | 44 | 53 Ų | 53 | 17% | 0.173 | 29% | 0.287 | C | S | . | . | G | 310 helix | trans | -97.2 | -13.6 | -172.6 | -52.3 | -76.2 | 0 | 0 | 0 | 113.4 | I705 M709 M738 M742 Q743 A747 M748 | I705-Y745 HydrophobicContact CG2-CE2 4.13Å; M709-Y745 HydrophobicContact CB-CD1 3.56Å; M709-Y745 HydrophobicContact CB-CE1 4.01Å; M709-Y745 HydrophobicContact CB-CG 4.1Å; M709-Y745 HydrophobicContact CG-CD1 3.82Å; M709-Y745 HydrophobicContact CG-CD2 4.4Å; M709-Y745 HydrophobicContact CG-CE1 4.23Å; M709-Y745 HydrophobicContact CG-CG 3.91Å; M738-Y745 HydrophobicContact CE-CE2 4.26Å; M742-Y745 PolarHBondContact O-N 2.97Å; M742-Y745 HydrophobicContact SD-CD2 4.09Å; Q743-Y745 PolarHBondContact O-N 3.34Å; Y745-A747 VanDerWaalsContact C-N 3.34Å; Y745-A747 PolarHBondContact O-N 2.91Å; Y745-M748 HydrophobicContact CD1-SD 4.23Å; Y745-M748 WeakPolarHBondContact O-CB 3.35Å; Y745-M748 PolarHBondContact O-N 3.48Å; Y745-M748 VanDerWaalsContact O-N 3.07Å |
| 746 | I | 96.5 | Very high | 97.2 | Very high | 5 Ų | 5 | 53.2 Ų | 53.2 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.4 | -44.5 | -174.6 | -66.2 | 179.3 | 0 | 0 | 0 | 111.8 | M742 Q743 M748 V749 L750 L777 C781 E784 V785 | M742-I746 HydrophobicContact CG-CG1 4.45Å; Q743-I746 PolarHBondContact O-N 3.44Å; I746-M748 PolarHBondContact O-N 3.22Å; I746-M748 VanDerWaalsContact O-N 3.09Å; I746-V749 PolarHBondContact O-N 3.18Å; I746-V749 VanDerWaalsContact O-N 3.12Å; I746-L750 HydrophobicContact CG2-CB 3.96Å; I746-L750 HydrophobicContact CG2-CD2 3.91Å; I746-L750 VanDerWaalsContact O-CB 3.27Å; I746-L750 WeakPolarHBondContact O-CB 3.31Å; I746-L750 PolarHBondContact O-N 3.41Å; I746-L777 HydrophobicContact CG1-CD2 4.34Å; I746-C781 HydrophobicContact CD1-CB 3.08Å; I746-C781 VanDerWaalsContact CD1-SG 3.59Å; I746-E784 HydrophobicContact CD1-CB 4.1Å; I746-E784 HydrophobicContact CD1-CG 4.27Å; I746-E784 HydrophobicContact CG2-CB 4.07Å; I746-V785 HydrophobicContact CG2-CG2 4.26Å |
| 747 | A | 94.1 | Very high | 97.2 | Very high | 81 Ų | 81 | 50.5 Ų | 50.5 | 67% | 0.669 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.7 | -22.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y745 | Y745-A747 VanDerWaalsContact C-N 3.34Å; Y745-A747 PolarHBondContact O-N 2.91Å |
| 748 | M | 95.6 | Very high | 97.2 | Very high | 75 Ų | 75 | 50.5 Ų | 50.5 | 37% | 0.369 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -78.5 | -30.3 | 180 | -57.3 | 176 | 57.7 | 0 | 0 | 112.7 | P710 Y745 I746 Q752 | P710-M748 VanDerWaalsContact CA-CE 3.48Å; P710-M748 HydrophobicContact CB-CE 3.9Å; P710-M748 HydrophobicContact CG-CE 3.92Å; Y745-M748 HydrophobicContact CD1-SD 4.23Å; Y745-M748 WeakPolarHBondContact O-CB 3.35Å; Y745-M748 PolarHBondContact O-N 3.48Å; Y745-M748 VanDerWaalsContact O-N 3.07Å; I746-M748 PolarHBondContact O-N 3.22Å; I746-M748 VanDerWaalsContact O-N 3.09Å; M748-Q752 PolarHBondContact O-NE2 3.06Å |
| 749 | V | 97.7 | Very high | 97.1 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -112.3 | -34 | -169.9 | -60.9 | 0 | 0 | 0 | 0 | 113.2 | M709 L716 I731 I746 N751 Q752 L753 L777 | M709-V749 HydrophobicContact CE-CG1 3.88Å; L716-V749 HydrophobicContact CD1-CB 3.92Å; L716-V749 HydrophobicContact CD1-CG1 4.13Å; I731-V749 HydrophobicContact CD1-CB 4.41Å; I731-V749 HydrophobicContact CD1-CG1 3.92Å; I731-V749 HydrophobicContact CG2-CG2 4.39Å; I746-V749 PolarHBondContact O-N 3.18Å; I746-V749 VanDerWaalsContact O-N 3.12Å; V749-N751 PolarHBondContact O-N 2.92Å; V749-Q752 PolarHBondContact O-N 2.94Å; V749-L753 HydrophobicContact CB-CD1 4.37Å; V749-L753 HydrophobicContact CG2-CD1 4.37Å; V749-L753 WeakPolarHBondContact O-CG 3.11Å; V749-L753 PolarHBondContact O-N 2.99Å; V749-L777 HydrophobicContact CG2-CD1 4.09Å |
| 750 | L | 98 | Very high | 97 | Very high | 9 Ų | 9 | 58.5 Ų | 58.5 | 5% | 0.047 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62 | -43.3 | -166.9 | 179.8 | 61.1 | 0 | 0 | 0 | 113.4 | I746 Q752 L753 V754 V785 M788 | I746-L750 HydrophobicContact CG2-CB 3.96Å; I746-L750 HydrophobicContact CG2-CD2 3.91Å; I746-L750 VanDerWaalsContact O-CB 3.27Å; I746-L750 WeakPolarHBondContact O-CB 3.31Å; I746-L750 PolarHBondContact O-N 3.41Å; L750-Q752 VanDerWaalsContact C-N 3.31Å; L750-Q752 PolarHBondContact O-N 2.95Å; L750-L753 PolarHBondContact O-N 2.72Å; L750-V754 HydrophobicContact CD1-CG2 4.13Å; L750-V754 WeakPolarHBondContact O-CG2 3.29Å; L750-V754 PolarHBondContact O-N 3.5Å; L750-V785 HydrophobicContact CD1-CG1 3.88Å; L750-V785 HydrophobicContact CD2-CB 4.39Å; L750-V785 HydrophobicContact CD2-CG1 4.31Å; L750-V785 HydrophobicContact CD2-CG2 4.2Å; L750-M788 HydrophobicContact CD1-SD 4.45Å; L750-M788 HydrophobicContact CD2-CG 4.37Å; L750-M788 HydrophobicContact CD2-SD 3.49Å; L750-M788 WeakPolarHBondContact CD2-SD 3.44Å; L750-M788 HydrophobicContact CG-SD 3.61Å |
| 751 | N | 97.1 | Very high | 96.7 | Very high | 104 Ų | 104 | 61 Ų | 61 | 56% | 0.556 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -61.7 | -41.1 | 179.7 | -72 | -39.9 | 0 | 0 | 0 | 111.9 | V749 V754 E755 | V749-N751 PolarHBondContact O-N 2.92Å; N751-V754 PolarHBondContact O-N 2.79Å; N751-E755 PolarHBondContact O-N 3.39Å |
| 752 | Q | 98 | Very high | 96.4 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 29% | 0.29 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68 | -42.2 | 179.7 | -61.7 | -177.4 | 67.1 | 0 | 0 | 110.8 | G713 L716 M748 V749 L750 V754 E755 I756 | G713-Q752 PolarHBondContact O-NE2 2.92Å; G713-Q752 PolarHBondContact O-OE1 3.34Å; G713-Q752 VanDerWaalsContact O-OE1 3.06Å; L716-Q752 HydrophobicContact CB-CB 4.04Å; L716-Q752 HydrophobicContact CD1-CB 3.98Å; L716-Q752 PolarHBondContact O-OE1 3.48Å; M748-Q752 PolarHBondContact O-NE2 3.06Å; V749-Q752 PolarHBondContact O-N 2.94Å; L750-Q752 VanDerWaalsContact C-N 3.31Å; L750-Q752 PolarHBondContact O-N 2.95Å; Q752-V754 VanDerWaalsContact C-N 3.34Å; Q752-V754 PolarHBondContact O-N 2.88Å; Q752-E755 WeakPolarHBondContact O-CB 3.44Å; Q752-E755 PolarHBondContact O-N 3.05Å; Q752-E755 VanDerWaalsContact O-N 3.16Å; Q752-I756 WeakPolarHBondContact O-CD1 3.42Å; Q752-I756 VanDerWaalsContact O-CG1 3.26Å; Q752-I756 WeakPolarHBondContact O-CG1 3.39Å; Q752-I756 PolarHBondContact O-N 2.97Å |
| 753 | L | 98.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -61.6 | -40.6 | 175.4 | -65.5 | 171.3 | 0 | 0 | 0 | 112.2 | L716 T728 V749 L750 E755 I756 I757 T770 T773 I774 L777 | L716-L753 HydrophobicContact CD1-CD2 4.1Å; L716-L753 HydrophobicContact CD1-CG 4.11Å; L716-L753 HydrophobicContact CD2-CD2 4.03Å; T728-L753 HydrophobicContact CG2-CD2 3.65Å; V749-L753 HydrophobicContact CB-CD1 4.37Å; V749-L753 HydrophobicContact CG2-CD1 4.37Å; V749-L753 WeakPolarHBondContact O-CG 3.11Å; V749-L753 PolarHBondContact O-N 2.99Å; L750-L753 PolarHBondContact O-N 2.72Å; L753-E755 VanDerWaalsContact C-N 3.31Å; L753-I756 PolarHBondContact O-N 3.23Å; L753-I757 PolarHBondContact O-N 3.49Å; L753-T770 HydrophobicContact CB-CG2 4.12Å; L753-T770 HydrophobicContact CD2-CG2 4.07Å; L753-T770 VanDerWaalsContact O-CG2 3.23Å; L753-T770 WeakPolarHBondContact O-CG2 3.4Å; L753-T773 HydrophobicContact CD1-CG2 3.82Å; L753-I774 HydrophobicContact CB-CD1 3.98Å; L753-I774 HydrophobicContact CB-CG1 3.82Å; L753-I774 HydrophobicContact CD1-CG1 4.31Å; L753-L777 HydrophobicContact CD1-CD1 3.58Å |
| 754 | V | 98.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 57.9 Ų | 57.9 | 3% | 0.03 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.1 | -30.5 | 176.2 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | L750 N751 Q752 I757 N758 I774 M788 Q791 F792 | L750-V754 HydrophobicContact CD1-CG2 4.13Å; L750-V754 WeakPolarHBondContact O-CG2 3.29Å; L750-V754 PolarHBondContact O-N 3.5Å; N751-V754 PolarHBondContact O-N 2.79Å; Q752-V754 VanDerWaalsContact C-N 3.34Å; Q752-V754 PolarHBondContact O-N 2.88Å; V754-I757 WeakPolarHBondContact O-CG2 3.39Å; V754-N758 PolarHBondContact O-ND2 3.12Å; V754-I774 HydrophobicContact CG2-CD1 4.29Å; V754-M788 HydrophobicContact CB-CE 3.9Å; V754-M788 HydrophobicContact CG1-CE 3.91Å; V754-M788 HydrophobicContact CG2-CE 3.75Å; V754-M788 HydrophobicContact CG2-SD 4.29Å; V754-Q791 HydrophobicContact CG1-CB 3.86Å; V754-F792 HydrophobicContact CG2-CD1 3.94Å |
| 755 | E | 97.9 | Very high | 95.4 | Very high | 144 Ų | 144 | 54.4 Ų | 54.4 | 67% | 0.673 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -68.5 | -48.2 | 171.5 | -173.8 | 175.5 | 167.2 | 0 | 0 | 111.3 | N751 Q752 L753 I757 N758 R759 | N751-E755 PolarHBondContact O-N 3.39Å; Q752-E755 WeakPolarHBondContact O-CB 3.44Å; Q752-E755 PolarHBondContact O-N 3.05Å; Q752-E755 VanDerWaalsContact O-N 3.16Å; L753-E755 VanDerWaalsContact C-N 3.31Å; E755-I757 PolarHBondContact O-N 3.27Å; E755-N758 PolarHBondContact O-N 2.93Å; E755-R759 PolarHBondContact O-N 3.38Å; E755-R759 VanDerWaalsContact O-N 3.14Å |
| 756 | I | 98.1 | Very high | 95.3 | Very high | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.9 | -48.3 | -179.8 | -68.6 | 160.2 | 0 | 0 | 0 | 111.2 | L716 P718 Q752 L753 N758 R759 L766 T770 | L716-I756 HydrophobicContact CB-CD1 4.14Å; L716-I756 HydrophobicContact CD2-CD1 4.49Å; P718-I756 HydrophobicContact CB-CG1 4.41Å; P718-I756 HydrophobicContact CG-CG1 4.32Å; Q752-I756 WeakPolarHBondContact O-CD1 3.42Å; Q752-I756 VanDerWaalsContact O-CG1 3.26Å; Q752-I756 WeakPolarHBondContact O-CG1 3.39Å; Q752-I756 PolarHBondContact O-N 2.97Å; L753-I756 PolarHBondContact O-N 3.23Å; I756-N758 PolarHBondContact O-N 3.03Å; I756-N758 VanDerWaalsContact O-N 3.1Å; I756-R759 WeakPolarHBondContact O-CB 3.11Å; I756-R759 PolarHBondContact O-N 3.42Å; I756-L766 HydrophobicContact CG2-CD1 4.28Å; I756-L766 HydrophobicContact CG2-CD2 4.1Å; I756-L766 HydrophobicContact CG2-CG 3.98Å; I756-T770 HydrophobicContact CB-CG2 4.33Å; I756-T770 HydrophobicContact CG2-CG2 4.2Å; I756-T770 WeakPolarHBondContact CG2-OG1 3.31Å |
| 757 | I | 98.1 | Very high | 95.2 | Very high | 5 Ų | 5 | 53.6 Ų | 53.6 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.1 | -18.5 | -177.6 | -157.5 | 172.9 | 0 | 0 | 0 | 113.4 | L753 V754 E755 L767 T770 A771 I774 F792 P795 W796 | L753-I757 PolarHBondContact O-N 3.49Å; V754-I757 WeakPolarHBondContact O-CG2 3.39Å; E755-I757 PolarHBondContact O-N 3.27Å; I757-L767 HydrophobicContact CG1-CD2 4.49Å; I757-T770 HydrophobicContact CB-CG2 3.83Å; I757-T770 HydrophobicContact CG1-CG2 4.43Å; I757-A771 HydrophobicContact CD1-CB 3.86Å; I757-I774 HydrophobicContact CB-CD1 4.43Å; I757-I774 HydrophobicContact CD1-CD1 4.14Å; I757-I774 HydrophobicContact CG2-CD1 4.18Å; I757-F792 HydrophobicContact CG2-CB 3.83Å; I757-P795 HydrophobicContact CG1-CB 4.07Å; I757-P795 HydrophobicContact CG1-CG 4.18Å; I757-P795 HydrophobicContact CG2-CG 4.28Å; I757-P795 VanDerWaalsContact O-CB 3.3Å; I757-P795 WeakPolarHBondContact O-CB 3.46Å; I757-W796 HydrophobicContact CD1-CB 3.92Å |
| 758 | N | 97.8 | Very high | 95.3 | Very high | 84 Ų | 84 | 49.8 Ų | 49.8 | 45% | 0.449 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.7 | -1.3 | 177 | -76.4 | -72 | 0 | 0 | 0 | 113.1 | V754 E755 I756 Q791 | V754-N758 PolarHBondContact O-ND2 3.12Å; E755-N758 PolarHBondContact O-N 2.93Å; I756-N758 PolarHBondContact O-N 3.03Å; I756-N758 VanDerWaalsContact O-N 3.1Å; N758-Q791 PolarHBondContact ND2-O 2.89Å; N758-Q791 PolarHBondContact OD1-O 3.34Å |
| 759 | R | 95.9 | Very high | 95.4 | Very high | 106 Ų | 106 | 46.2 Ų | 46.2 | 40% | 0.4 | 24% | 0.237 | S | C | . | . | trans | -75.8 | 127 | -175.8 | -173.8 | -176.6 | -168.5 | -149.3 | 8.9 | 110.2 | P718 E755 I756 T762 | P718-R759 VanDerWaalsContact CG-NH1 3.31Å; P718-R759 PolarHBondContact O-NH1 2.91Å; E755-R759 PolarHBondContact O-N 3.38Å; E755-R759 VanDerWaalsContact O-N 3.14Å; I756-R759 WeakPolarHBondContact O-CB 3.11Å; I756-R759 PolarHBondContact O-N 3.42Å; R759-T762 WeakPolarHBondContact CB-OG1 3.3Å; R759-T762 WeakPolarHBondContact O-CB 3.44Å; R759-T762 PolarHBondContact O-OG1 3.44Å | ||
| 760 | P | 92.4 | Very high | 95.5 | Very high | 102 Ų | 102 | 46.2 Ų | 46.2 | 66% | 0.662 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 154.4 | 177 | 30.3 | -36 | 0 | 0 | 0 | 110.9 | T762 | P760-T762 PolarHBondContact O-N 3.08Š|
| 761 | N | 89.9 | Confident | 95.5 | Very high | 167 Ų | 167 | 45.8 Ų | 45.8 | 89% | 0.893 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55.5 | 35 | 178.4 | -50.7 | -21.1 | 0 | 0 | 0 | 113.2 | ||
| 762 | T | 90.7 | Very high | 95.5 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 9% | 0.092 | 21% | 0.209 | C | C | . | . | trans | -92.6 | 132.1 | 175.5 | -56.5 | 0 | 0 | 0 | 0 | 108.8 | R759 P760 L766 L767 | R759-T762 WeakPolarHBondContact CB-OG1 3.3Å; R759-T762 WeakPolarHBondContact O-CB 3.44Å; R759-T762 PolarHBondContact O-OG1 3.44Å; P760-T762 PolarHBondContact O-N 3.08Å; T762-L766 HydrophobicContact CG2-CB 4.16Å; T762-L766 HydrophobicContact CG2-CD2 3.7Å; T762-L766 HydrophobicContact CG2-CG 3.98Å; T762-L767 HydrophobicContact CG2-CD2 3.85Å; T762-L767 HydrophobicContact CG2-CG 3.92Å | ||
| 763 | P | 90.5 | Very high | 95.6 | Very high | 35 Ų | 35 | 38 Ų | 38 | 23% | 0.227 | 20% | 0.195 | C | C | . | . | trans | -51 | 143.7 | 176.4 | -34.1 | 42.8 | 0 | 0 | 0 | 112.6 | E356 I721 T765 L766 L767 | E356-P763 WeakPolarHBondContact OE1-CA 3.2Å; E356-P763 VanDerWaalsContact OE1-CB 3.26Å; E356-P763 WeakPolarHBondContact OE1-CB 3.33Å; I721-P763 HydrophobicContact CD1-CG 4.28Å; I721-P763 HydrophobicContact CG1-CG 4.21Å; I721-P763 HydrophobicContact CG2-CB 4.13Å; I721-P763 HydrophobicContact CG2-CG 3.8Å; P763-T765 VanDerWaalsContact C-N 3.33Å; P763-T765 PolarHBondContact O-N 3.23Å; P763-L766 PolarHBondContact O-N 3.04Å; P763-L767 PolarHBondContact O-N 3.3Å; P763-L767 VanDerWaalsContact O-N 3.17Å | ||
| 764 | K | 90.5 | Very high | 95.6 | Very high | 82 Ų | 82 | 38 Ų | 38 | 36% | 0.357 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.2 | -46.4 | -172.5 | -173.8 | -171.1 | -174.6 | -171.7 | 0 | 110 | H347 E356 L766 L767 E768 | H347-K764 PolarHBondContact CD2-NZ 2.95Å; H347-K764 WeakPolarHBondContact NE2-CE 3.42Å; H347-K764 PolarHBondContact NE2-NZ 3.22Å; E356-K764 PolarHBondContact OE1-N 3.06Å; K764-L766 VanDerWaalsContact C-N 3.3Å; K764-L766 PolarHBondContact O-N 3.07Å; K764-L767 WeakPolarHBondContact O-CB 3.16Å; K764-L767 PolarHBondContact O-N 2.98Å; K764-E768 WeakPolarHBondContact CE-OE1 3.49Å; K764-E768 HydrophobicContact CG-CG 4.37Å; K764-E768 WeakPolarHBondContact CG-OE1 3.43Å; K764-E768 VanDerWaalsContact O-CG 3.3Å; K764-E768 WeakPolarHBondContact O-CG 3.37Å; K764-E768 PolarHBondContact O-N 3.17Å |
| 765 | T | 89.9 | Confident | 95.6 | Very high | 14 Ų | 14 | 37.7 Ų | 37.7 | 9% | 0.086 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -53.3 | -45.9 | 178.8 | -54.9 | 0 | 0 | 0 | 0 | 112.1 | V343 T344 E356 N725 P763 E768 N769 | V343-T765 WeakPolarHBondContact O-CG2 3.47Å; T344-T765 HydrophobicContact CG2-CG2 3.77Å; E356-T765 PolarHBondContact OE2-OG1 3.2Å; N725-T765 PolarHBondContact OD1-O 3.49Å; P763-T765 VanDerWaalsContact C-N 3.33Å; P763-T765 PolarHBondContact O-N 3.23Å; T765-E768 PolarHBondContact O-N 3.18Å; T765-N769 PolarHBondContact O-N 3.14Å |
| 766 | L | 95.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -66.5 | -40.8 | 178.6 | 176 | 57.6 | 0 | 0 | 0 | 111.7 | P718 I721 C724 N725 I756 T762 P763 K764 E768 T770 | P718-L766 HydrophobicContact CB-CD2 4.41Å; I721-L766 HydrophobicContact CD1-CD2 3.85Å; I721-L766 HydrophobicContact CG2-CB 4.44Å; I721-L766 HydrophobicContact CG2-CD2 4.25Å; C724-L766 HydrophobicContact CB-CD1 4.39Å; C724-L766 HydrophobicContact CB-CD2 4.48Å; N725-L766 HydrophobicContact CB-CD1 4.06Å; N725-L766 WeakPolarHBondContact OD1-CA 3.26Å; I756-L766 HydrophobicContact CG2-CD1 4.28Å; I756-L766 HydrophobicContact CG2-CD2 4.1Å; I756-L766 HydrophobicContact CG2-CG 3.98Å; T762-L766 HydrophobicContact CG2-CB 4.16Å; T762-L766 HydrophobicContact CG2-CD2 3.7Å; T762-L766 HydrophobicContact CG2-CG 3.98Å; P763-L766 PolarHBondContact O-N 3.04Å; K764-L766 VanDerWaalsContact C-N 3.3Å; K764-L766 PolarHBondContact O-N 3.07Å; L766-E768 VanDerWaalsContact C-N 3.32Å; L766-E768 PolarHBondContact O-N 3.39Å; L766-T770 VanDerWaalsContact O-CB 3.23Å; L766-T770 WeakPolarHBondContact O-CB 3.42Å; L766-T770 PolarHBondContact O-N 3.39Å; L766-T770 PolarHBondContact O-OG1 3.14Å |
| 767 | L | 96.2 | Very high | 95.6 | Very high | 31 Ų | 31 | 31.2 Ų | 31.2 | 16% | 0.162 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.4 | -39.5 | 176.8 | -67.7 | 175.6 | 0 | 0 | 0 | 111.9 | I757 T762 P763 K764 T770 A771 | I757-L767 HydrophobicContact CG1-CD2 4.49Å; T762-L767 HydrophobicContact CG2-CD2 3.85Å; T762-L767 HydrophobicContact CG2-CG 3.92Å; P763-L767 PolarHBondContact O-N 3.3Å; P763-L767 VanDerWaalsContact O-N 3.17Å; K764-L767 WeakPolarHBondContact O-CB 3.16Å; K764-L767 PolarHBondContact O-N 2.98Å; L767-T770 PolarHBondContact O-N 2.95Å; L767-A771 WeakPolarHBondContact O-CB 3.4Å; L767-A771 PolarHBondContact O-N 3.26Å |
| 768 | E | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.1 | -49.9 | 179.1 | -67.8 | 177.3 | 167.6 | 0 | 0 | 112.2 | L345 H347 K764 T765 L766 T770 A771 I772 I803 | L345-E768 HydrophobicContact CD1-CB 3.79Å; H347-E768 IonicContact CD2-OE1 2.74Å; H347-E768 IonicContact CE1-OE1 3.33Å; H347-E768 IonicContact CE1-OE2 3.52Å; H347-E768 IonicContact NE2-OE1 3.59Å; H347-E768 PolarHBondContact NE2-OE1 3.23Å; H347-E768 IonicContact NE2-OE2 3.66Å; K764-E768 WeakPolarHBondContact CE-OE1 3.49Å; K764-E768 HydrophobicContact CG-CG 4.37Å; K764-E768 WeakPolarHBondContact CG-OE1 3.43Å; K764-E768 VanDerWaalsContact O-CG 3.3Å; K764-E768 WeakPolarHBondContact O-CG 3.37Å; K764-E768 PolarHBondContact O-N 3.17Å; T765-E768 PolarHBondContact O-N 3.18Å; L766-E768 VanDerWaalsContact C-N 3.32Å; L766-E768 PolarHBondContact O-N 3.39Å; E768-T770 VanDerWaalsContact C-N 3.29Å; E768-T770 PolarHBondContact O-N 3.03Å; E768-A771 PolarHBondContact O-N 3.49Å; E768-I772 PolarHBondContact O-N 3.07Å; E768-I803 HydrophobicContact CB-CD1 3.69Å; E768-I803 HydrophobicContact CG-CD1 3.62Å; E768-I803 HydrophobicContact CG-CG1 4.21Å |
| 769 | N | 97.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.4 | -38.4 | 174.7 | -84.1 | -43.4 | 0 | 0 | 0 | 111.7 | V343 N725 T728 T765 I772 T773 | V343-N769 PolarHBondContact O-ND2 3.34Å; N725-N769 PolarHBondContact ND2-ND2 2.92Å; N725-N769 PolarHBondContact OD1-ND2 3.08Å; T728-N769 HydrophobicContact CG2-CB 4.44Å; T765-N769 PolarHBondContact O-N 3.14Å; N769-I772 PolarHBondContact O-N 3.08Å; N769-T773 WeakPolarHBondContact O-CB 3.39Å; N769-T773 PolarHBondContact O-N 2.72Å; N769-T773 PolarHBondContact O-OG1 3.05Å |
| 770 | T | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.9 | -45.4 | 174.1 | -58 | 0 | 0 | 0 | 0 | 111.5 | L753 I756 I757 L766 L767 E768 T773 I774 | L753-T770 HydrophobicContact CB-CG2 4.12Å; L753-T770 HydrophobicContact CD2-CG2 4.07Å; L753-T770 VanDerWaalsContact O-CG2 3.23Å; L753-T770 WeakPolarHBondContact O-CG2 3.4Å; I756-T770 HydrophobicContact CB-CG2 4.33Å; I756-T770 HydrophobicContact CG2-CG2 4.2Å; I756-T770 WeakPolarHBondContact CG2-OG1 3.31Å; I757-T770 HydrophobicContact CB-CG2 3.83Å; I757-T770 HydrophobicContact CG1-CG2 4.43Å; L766-T770 VanDerWaalsContact O-CB 3.23Å; L766-T770 WeakPolarHBondContact O-CB 3.42Å; L766-T770 PolarHBondContact O-N 3.39Å; L766-T770 PolarHBondContact O-OG1 3.14Å; L767-T770 PolarHBondContact O-N 2.95Å; E768-T770 VanDerWaalsContact C-N 3.29Å; E768-T770 PolarHBondContact O-N 3.03Å; T770-T773 PolarHBondContact O-N 3.11Å; T770-I774 HydrophobicContact CG2-CD1 3.99Å; T770-I774 VanDerWaalsContact O-CG1 3.32Å; T770-I774 WeakPolarHBondContact O-CG1 3.35Å; T770-I774 PolarHBondContact O-N 3.38Å |
| 771 | A | 98.4 | Very high | 96 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.6 | -45.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I757 L767 E768 T773 I774 G775 W796 L800 | I757-A771 HydrophobicContact CD1-CB 3.86Å; L767-A771 WeakPolarHBondContact O-CB 3.4Å; L767-A771 PolarHBondContact O-N 3.26Å; E768-A771 PolarHBondContact O-N 3.49Å; A771-T773 PolarHBondContact O-N 2.95Å; A771-I774 PolarHBondContact O-N 3.21Å; A771-G775 PolarHBondContact O-N 3.46Å; A771-W796 HydrophobicContact CB-CG 4.06Å; A771-W796 VanDerWaalsContact O-CD1 3.3Å; A771-W796 PolarHBondContact O-NE1 2.94Å; A771-L800 HydrophobicContact CB-CD1 4.12Å; A771-L800 HydrophobicContact CB-CD2 3.72Å; A771-L800 HydrophobicContact CB-CG 3.74Å |
| 772 | I | 98.4 | Very high | 96.3 | Very high | 1 Ų | 1 | 15.9 Ų | 15.9 | 1% | 0.005 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -59.1 | -47.7 | 176.2 | -76.2 | 154.7 | 0 | 0 | 0 | 111.1 | L345 E768 N769 I774 G775 R776 L800 I803 E808 A812 | L345-I772 HydrophobicContact CD1-CD1 3.27Å; L345-I772 HydrophobicContact CD2-CD1 4.2Å; L345-I772 HydrophobicContact CG-CD1 4.39Å; E768-I772 PolarHBondContact O-N 3.07Å; N769-I772 PolarHBondContact O-N 3.08Å; I772-I774 PolarHBondContact O-N 3.07Å; I772-G775 WeakPolarHBondContact O-CA 3.42Å; I772-G775 PolarHBondContact O-N 3.42Å; I772-G775 VanDerWaalsContact O-N 3.15Å; I772-R776 HydrophobicContact CG2-CG 4.38Å; I772-R776 WeakPolarHBondContact O-CG 3.44Å; I772-R776 PolarHBondContact O-N 3.11Å; I772-L800 HydrophobicContact CD1-CD2 4.22Å; I772-L800 HydrophobicContact CG1-CD1 4.44Å; I772-L800 HydrophobicContact CG1-CD2 3.85Å; I772-I803 HydrophobicContact CD1-CD1 4.44Å; I772-E808 HydrophobicContact CD1-CB 4.01Å; I772-E808 HydrophobicContact CG2-CB 4.37Å; I772-A812 HydrophobicContact CB-CB 4.34Å; I772-A812 HydrophobicContact CG1-CB 4.06Å; I772-A812 HydrophobicContact CG2-CB 4.49Å |
| 773 | T | 98.7 | Very high | 96.7 | Very high | 0 Ų | 0 | 21.2 Ų | 21.2 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -64.3 | -42.2 | -179.1 | -67.9 | 0 | 0 | 0 | 0 | 112.1 | T728 I731 L753 N769 T770 A771 G775 R776 L777 | T728-T773 HydrophobicContact CG2-CG2 4.38Å; T728-T773 WeakPolarHBondContact O-CG2 3.31Å; T728-T773 PolarHBondContact O-OG1 2.84Å; I731-T773 HydrophobicContact CB-CG2 4.17Å; I731-T773 HydrophobicContact CG2-CG2 3.87Å; L753-T773 HydrophobicContact CD1-CG2 3.82Å; N769-T773 WeakPolarHBondContact O-CB 3.39Å; N769-T773 PolarHBondContact O-N 2.72Å; N769-T773 PolarHBondContact O-OG1 3.05Å; T770-T773 PolarHBondContact O-N 3.11Å; A771-T773 PolarHBondContact O-N 2.95Å; T773-G775 VanDerWaalsContact C-N 3.3Å; T773-G775 PolarHBondContact O-N 2.86Å; T773-R776 PolarHBondContact O-N 3.16Å; T773-L777 HydrophobicContact CG2-CD1 4.16Å; T773-L777 HydrophobicContact CG2-CG 4.43Å; T773-L777 WeakPolarHBondContact O-CB 3.25Å; T773-L777 VanDerWaalsContact O-CG 3.29Å; T773-L777 WeakPolarHBondContact O-CG 3.43Å; T773-L777 PolarHBondContact O-N 2.91Å |
| 774 | I | 98.8 | Very high | 97 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | 172.8 | -69 | 170.9 | 0 | 0 | 0 | 110.8 | L753 V754 I757 T770 A771 I772 L777 G778 V785 F792 | L753-I774 HydrophobicContact CB-CD1 3.98Å; L753-I774 HydrophobicContact CB-CG1 3.82Å; L753-I774 HydrophobicContact CD1-CG1 4.31Å; V754-I774 HydrophobicContact CG2-CD1 4.29Å; I757-I774 HydrophobicContact CB-CD1 4.43Å; I757-I774 HydrophobicContact CD1-CD1 4.14Å; I757-I774 HydrophobicContact CG2-CD1 4.18Å; T770-I774 HydrophobicContact CG2-CD1 3.99Å; T770-I774 VanDerWaalsContact O-CG1 3.32Å; T770-I774 WeakPolarHBondContact O-CG1 3.35Å; T770-I774 PolarHBondContact O-N 3.38Å; A771-I774 PolarHBondContact O-N 3.21Å; I772-I774 PolarHBondContact O-N 3.07Å; I774-L777 PolarHBondContact O-N 2.95Å; I774-G778 PolarHBondContact O-N 2.98Å; I774-V785 HydrophobicContact CG2-CG1 4.29Å; I774-F792 HydrophobicContact CG2-CD1 4.18Å; I774-F792 HydrophobicContact CG2-CD2 3.88Å; I774-F792 HydrophobicContact CG2-CE1 3.86Å; I774-F792 HydrophobicContact CG2-CE2 3.55Å; I774-F792 HydrophobicContact CG2-CG 4.2Å; I774-F792 HydrophobicContact CG2-CZ 3.54Å |
| 775 | G | 98.3 | Very high | 97.4 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -56.7 | -52.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A771 I772 T773 L777 G778 Y779 G815 | A771-G775 PolarHBondContact O-N 3.46Å; I772-G775 WeakPolarHBondContact O-CA 3.42Å; I772-G775 PolarHBondContact O-N 3.42Å; I772-G775 VanDerWaalsContact O-N 3.15Å; T773-G775 VanDerWaalsContact C-N 3.3Å; T773-G775 PolarHBondContact O-N 2.86Å; G775-L777 PolarHBondContact O-N 3.49Å; G775-G778 CarbonylContact O-C 3.55Å; G775-G778 PolarHBondContact O-N 3.26Å; G775-G778 VanDerWaalsContact O-N 3.16Å; G775-Y779 PolarHBondContact O-N 3.05Å; G775-G815 VanDerWaalsContact O-CA 3.27Å; G775-G815 WeakPolarHBondContact O-CA 3.49Å |
| 776 | R | 98.6 | Very high | 97.7 | Very high | 12 Ų | 12 | 19.2 Ų | 19.2 | 5% | 0.045 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -62.1 | -41.4 | 179.1 | -70.8 | 172.8 | 166.5 | -178.2 | -11.8 | 112.9 | E733 C735 M736 I772 T773 G778 Y779 V780 S811 | E733-R776 VanDerWaalsContact CD-NH1 3.3Å; E733-R776 IonicContact OE1-CZ 3.74Å; E733-R776 VanDerWaalsContact OE1-CZ 3.23Å; E733-R776 IonicContact OE1-NH1 2.77Å; E733-R776 PolarHBondContact OE1-NH1 3.31Å; E733-R776 IonicContact OE1-NH2 3.76Å; E733-R776 PolarHBondContact OE1-NH2 3.44Å; E733-R776 IonicContact OE2-NH1 3.03Å; E733-R776 IonicContact OE2-NH2 2.63Å; C735-R776 PolarHBondContact SG-O 2.92Å; M736-R776 HydrophobicContact CG-CB 4.27Å; M736-R776 HydrophobicContact CG-CG 3.96Å; M736-R776 HydrophobicContact SD-CB 3.96Å; M736-R776 HydrophobicContact SD-CG 3.75Å; I772-R776 HydrophobicContact CG2-CG 4.38Å; I772-R776 WeakPolarHBondContact O-CG 3.44Å; I772-R776 PolarHBondContact O-N 3.11Å; T773-R776 PolarHBondContact O-N 3.16Å; R776-G778 VanDerWaalsContact C-N 3.31Å; R776-G778 PolarHBondContact O-N 2.94Å; R776-Y779 VanDerWaalsContact O-CB 3.29Å; R776-Y779 WeakPolarHBondContact O-CB 3.47Å; R776-Y779 PolarHBondContact O-N 2.97Å; R776-Y779 VanDerWaalsContact O-N 3.1Å; R776-V780 PolarHBondContact O-N 2.95Å; R776-V780 VanDerWaalsContact O-N 3.14Å; R776-S811 PolarHBondContact NE-OG 3.16Å |
| 777 | L | 98.5 | Very high | 97.9 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -59.2 | -43.5 | 173.5 | -71.4 | 170.1 | 0 | 0 | 0 | 111.4 | C735 M742 I746 V749 L753 T773 I774 G775 Y779 V780 C781 V785 | C735-L777 HydrophobicContact CB-CD2 4.11Å; C735-L777 VanDerWaalsContact SG-CA 3.59Å; M742-L777 HydrophobicContact CE-CD2 3.9Å; M742-L777 HydrophobicContact CG-CD2 4.11Å; I746-L777 HydrophobicContact CG1-CD2 4.34Å; V749-L777 HydrophobicContact CG2-CD1 4.09Å; L753-L777 HydrophobicContact CD1-CD1 3.58Å; T773-L777 HydrophobicContact CG2-CD1 4.16Å; T773-L777 HydrophobicContact CG2-CG 4.43Å; T773-L777 WeakPolarHBondContact O-CB 3.25Å; T773-L777 VanDerWaalsContact O-CG 3.29Å; T773-L777 WeakPolarHBondContact O-CG 3.43Å; T773-L777 PolarHBondContact O-N 2.91Å; I774-L777 PolarHBondContact O-N 2.95Å; G775-L777 PolarHBondContact O-N 3.49Å; L777-Y779 VanDerWaalsContact C-N 3.31Å; L777-Y779 PolarHBondContact O-N 3.45Å; L777-V780 WeakPolarHBondContact O-CG2 3.46Å; L777-V780 PolarHBondContact O-N 3.37Å; L777-C781 PolarHBondContact O-N 3.45Å; L777-V785 HydrophobicContact CB-CG2 4Å |
| 778 | G | 98 | Very high | 97.9 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -68.5 | -28.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | I774 G775 R776 P782 | I774-G778 PolarHBondContact O-N 2.98Å; G775-G778 CarbonylContact O-C 3.55Å; G775-G778 PolarHBondContact O-N 3.26Å; G775-G778 VanDerWaalsContact O-N 3.16Å; R776-G778 VanDerWaalsContact C-N 3.31Å; R776-G778 PolarHBondContact O-N 2.94Å; G778-P782 WeakPolarHBondContact O-CA 3.48Å; G778-P782 VanDerWaalsContact O-CB 3.26Å; G778-P782 WeakPolarHBondContact O-CB 3.44Å; G778-P782 WeakPolarHBondContact O-CD 3.05Å |
| 779 | Y | 98.1 | Very high | 98 | Very high | 83 Ų | 83 | 22.7 Ų | 22.7 | 33% | 0.325 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -65 | -45.7 | 174.3 | -177.7 | -119.6 | 0 | 0 | 0 | 111.7 | M736 G775 R776 L777 R814 I818 | M736-Y779 HydrophobicContact CE-CD1 3.91Å; M736-Y779 HydrophobicContact CE-CE1 3.88Å; M736-Y779 HydrophobicContact SD-CD1 3.88Å; M736-Y779 HydrophobicContact SD-CE1 4.45Å; G775-Y779 PolarHBondContact O-N 3.05Å; R776-Y779 VanDerWaalsContact O-CB 3.29Å; R776-Y779 WeakPolarHBondContact O-CB 3.47Å; R776-Y779 PolarHBondContact O-N 2.97Å; R776-Y779 VanDerWaalsContact O-N 3.1Å; L777-Y779 VanDerWaalsContact C-N 3.31Å; L777-Y779 PolarHBondContact O-N 3.45Å; Y779-R814 HydrophobicContact CD2-CB 3.64Å; Y779-R814 HydrophobicContact CE2-CB 3.66Å; Y779-R814 HydrophobicContact CE2-CG 4.49Å; Y779-R814 HydrophobicContact CG-CB 4.5Å; Y779-I818 HydrophobicContact CD2-CD1 3.47Å; Y779-I818 VanDerWaalsContact CD2-CD1 3.47Å; Y779-I818 HydrophobicContact CE2-CD1 3.6Å |
| 780 | V | 97.7 | Very high | 98 | Very high | 21 Ų | 21 | 26.1 Ų | 26.1 | 13% | 0.127 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -84.6 | -33 | -176.8 | -55.4 | 0 | 0 | 0 | 0 | 113.5 | C735 M742 R776 L777 | C735-V780 WeakPolarHBondContact SG-CG2 3.49Å; M742-V780 HydrophobicContact CB-CG2 4.2Å; R776-V780 PolarHBondContact O-N 2.95Å; R776-V780 VanDerWaalsContact O-N 3.14Å; L777-V780 WeakPolarHBondContact O-CG2 3.46Å; L777-V780 PolarHBondContact O-N 3.37Å |
| 781 | C | 97.7 | Very high | 97.9 | Very high | 11 Ų | 11 | 31.1 Ų | 31.1 | 7% | 0.074 | 16% | 0.161 | C | C | . | . | trans | -135.5 | 63.6 | -174.3 | -71.8 | 0 | 0 | 0 | 0 | 111.6 | I746 L777 Q783 E784 V785 | I746-C781 HydrophobicContact CD1-CB 3.08Å; I746-C781 VanDerWaalsContact CD1-SG 3.59Å; L777-C781 PolarHBondContact O-N 3.45Å; C781-Q783 VanDerWaalsContact C-N 3.25Å; C781-Q783 PolarHBondContact O-N 3.11Å; C781-Q783 VanDerWaalsContact O-N 3.17Å; C781-E784 PolarHBondContact O-N 2.87Å; C781-E784 VanDerWaalsContact O-N 3.16Å; C781-V785 PolarHBondContact O-N 3.04Å | ||
| 782 | P | 97.5 | Very high | 97.9 | Very high | 26 Ų | 26 | 31.1 Ų | 31.1 | 17% | 0.169 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.6 | -28.4 | -171.1 | 24.8 | -35.9 | 0 | 0 | 0 | 113.9 | G778 E784 A786 I818 M819 V822 | G778-P782 WeakPolarHBondContact O-CA 3.48Å; G778-P782 VanDerWaalsContact O-CB 3.26Å; G778-P782 WeakPolarHBondContact O-CB 3.44Å; G778-P782 WeakPolarHBondContact O-CD 3.05Å; P782-E784 VanDerWaalsContact C-N 3.27Å; P782-E784 PolarHBondContact O-N 3.3Å; P782-A786 WeakPolarHBondContact O-CB 3.09Å; P782-A786 PolarHBondContact O-N 3.41Å; P782-I818 HydrophobicContact CB-CG2 3.65Å; P782-I818 HydrophobicContact CG-CG2 3.78Å; P782-M819 HydrophobicContact CB-CG 4.49Å; P782-V822 HydrophobicContact CB-CG2 4.01Å; P782-V822 HydrophobicContact CG-CG2 4.49Å |
| 783 | Q | 97.4 | Very high | 97.9 | Very high | 128 Ų | 128 | 31.1 Ų | 31.1 | 60% | 0.598 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -66.1 | -30.4 | -179.9 | -61.2 | -58.5 | -39 | 0 | 0 | 112.8 | C781 P787 | C781-Q783 VanDerWaalsContact C-N 3.25Å; C781-Q783 PolarHBondContact O-N 3.11Å; C781-Q783 VanDerWaalsContact O-N 3.17Å; Q783-P787 WeakPolarHBondContact O-CD 3.29Å |
| 784 | E | 97.6 | Very high | 97.8 | Very high | 88 Ų | 88 | 37.9 Ų | 37.9 | 41% | 0.411 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -86.6 | -33.9 | -178.3 | -54.6 | -63.8 | -172 | 0 | 0 | 111.8 | Q743 I746 C781 P782 | Q743-E784 HydrophobicContact CG-CG 4.19Å; Q743-E784 PolarHBondContact NE2-OE1 3.34Å; I746-E784 HydrophobicContact CD1-CB 4.1Å; I746-E784 HydrophobicContact CD1-CG 4.27Å; I746-E784 HydrophobicContact CG2-CB 4.07Å; C781-E784 PolarHBondContact O-N 2.87Å; C781-E784 VanDerWaalsContact O-N 3.16Å; P782-E784 VanDerWaalsContact C-N 3.27Å; P782-E784 PolarHBondContact O-N 3.3Å |
| 785 | V | 98.1 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -93.1 | -38.3 | -173.7 | -169.9 | 0 | 0 | 0 | 0 | 112.8 | I746 L750 I774 L777 C781 P787 M788 F792 M819 | I746-V785 HydrophobicContact CG2-CG2 4.26Å; L750-V785 HydrophobicContact CD1-CG1 3.88Å; L750-V785 HydrophobicContact CD2-CB 4.39Å; L750-V785 HydrophobicContact CD2-CG1 4.31Å; L750-V785 HydrophobicContact CD2-CG2 4.2Å; I774-V785 HydrophobicContact CG2-CG1 4.29Å; L777-V785 HydrophobicContact CB-CG2 4Å; C781-V785 PolarHBondContact O-N 3.04Å; V785-P787 VanDerWaalsContact C-N 3.3Å; V785-P787 VanDerWaalsContact O-N 3.15Å; V785-M788 PolarHBondContact O-N 3.38Å; V785-F792 HydrophobicContact CG1-CE1 4.37Å; V785-F792 HydrophobicContact CG1-CZ 4.39Å; V785-M819 HydrophobicContact CB-SD 3.69Å; V785-M819 HydrophobicContact CG1-CE 4.33Å; V785-M819 HydrophobicContact CG1-SD 3.4Å; V785-M819 WeakPolarHBondContact CG1-SD 3.19Å |
| 786 | A | 97.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | G | 310 helix | trans | -56.6 | -29.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | P782 M788 L789 M819 V822 N823 | P782-A786 WeakPolarHBondContact O-CB 3.09Å; P782-A786 PolarHBondContact O-N 3.41Å; A786-M788 PolarHBondContact O-N 3.25Å; A786-L789 VanDerWaalsContact O-CB 3.31Å; A786-L789 WeakPolarHBondContact O-CB 3.42Å; A786-L789 PolarHBondContact O-N 3.1Å; A786-M819 HydrophobicContact CB-CB 3.92Å; A786-M819 HydrophobicContact CB-CG 4.1Å; A786-V822 HydrophobicContact CB-CB 4Å; A786-V822 HydrophobicContact CB-CG1 3.91Å; A786-N823 HydrophobicContact CB-CB 4.03Å; A786-N823 PolarHBondContact O-ND2 2.94Å |
| 787 | P | 97.8 | Very high | 97.6 | Very high | 83 Ų | 83 | 38.7 Ų | 38.7 | 54% | 0.539 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -59.1 | -26.3 | 172.2 | -27.2 | 36.9 | 0 | 0 | 0 | 114.3 | Q783 V785 | Q783-P787 WeakPolarHBondContact O-CD 3.29Å; V785-P787 VanDerWaalsContact C-N 3.3Å; V785-P787 VanDerWaalsContact O-N 3.15Å |
| 788 | M | 97.6 | Very high | 97.4 | Very high | 23 Ų | 23 | 41.9 Ų | 41.9 | 11% | 0.113 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -91 | -0.9 | -179.6 | -62.5 | -169.8 | 76.6 | 0 | 0 | 113.9 | L750 V754 V785 A786 P790 Q791 F792 | L750-M788 HydrophobicContact CD1-SD 4.45Å; L750-M788 HydrophobicContact CD2-CG 4.37Å; L750-M788 HydrophobicContact CD2-SD 3.49Å; L750-M788 WeakPolarHBondContact CD2-SD 3.44Å; L750-M788 HydrophobicContact CG-SD 3.61Å; V754-M788 HydrophobicContact CB-CE 3.9Å; V754-M788 HydrophobicContact CG1-CE 3.91Å; V754-M788 HydrophobicContact CG2-CE 3.75Å; V754-M788 HydrophobicContact CG2-SD 4.29Å; V785-M788 PolarHBondContact O-N 3.38Å; A786-M788 PolarHBondContact O-N 3.25Å; M788-P790 VanDerWaalsContact C-N 3.34Å; M788-Q791 WeakPolarHBondContact O-CB 3.47Å; M788-Q791 PolarHBondContact O-N 3.45Å; M788-F792 HydrophobicContact CB-CD1 4.26Å; M788-F792 HydrophobicContact CB-CE1 4.06Å; M788-F792 WeakPolarHBondContact O-CD1 3.29Å; M788-F792 WeakPolarHBondContact O-CE1 3.34Å |
| 789 | L | 96.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -48.1 | -44.2 | -177.1 | -152.1 | 114.8 | 0 | 0 | 0 | 114.7 | A786 Q791 F792 I793 I816 M819 I820 V827 | A786-L789 VanDerWaalsContact O-CB 3.31Å; A786-L789 WeakPolarHBondContact O-CB 3.42Å; A786-L789 PolarHBondContact O-N 3.1Å; L789-Q791 PolarHBondContact O-N 2.93Å; L789-Q791 VanDerWaalsContact O-N 3.11Å; L789-F792 HydrophobicContact CD1-CZ 4.34Å; L789-F792 HydrophobicContact CG-CZ 4.4Å; L789-F792 PolarHBondContact O-N 3.26Å; L789-I793 VanDerWaalsContact O-CB 3.29Å; L789-I793 WeakPolarHBondContact O-CB 3.45Å; L789-I793 WeakPolarHBondContact O-CG2 3.49Å; L789-I793 PolarHBondContact O-N 3.09Å; L789-I816 HydrophobicContact CD1-CD1 3.98Å; L789-M819 HydrophobicContact CD1-CB 3.41Å; L789-M819 VanDerWaalsContact CD1-CB 3.41Å; L789-M819 HydrophobicContact CD1-CE 4.48Å; L789-M819 HydrophobicContact CD1-CG 4.41Å; L789-M819 HydrophobicContact CD1-SD 4.15Å; L789-I820 HydrophobicContact CD1-CG1 4.43Å; L789-I820 HydrophobicContact CD2-CG1 4.11Å; L789-V827 HydrophobicContact CD2-CB 3.75Å |
| 790 | P | 97.2 | Very high | 97.1 | Very high | 72 Ų | 72 | 38.6 Ų | 38.6 | 47% | 0.468 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -60.5 | -22.7 | 177.6 | -17.8 | 26.7 | 0 | 0 | 0 | 114.6 | M788 G826 | M788-P790 VanDerWaalsContact C-N 3.34Å; P790-G826 WeakPolarHBondContact CA-O 3.28Å |
| 791 | Q | 97.6 | Very high | 96.7 | Very high | 106 Ų | 106 | 42.4 Ų | 42.4 | 50% | 0.495 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -85 | -21.8 | -173.3 | -57.6 | -177.3 | 26.6 | 0 | 0 | 112.7 | V754 N758 M788 L789 | V754-Q791 HydrophobicContact CG1-CB 3.86Å; N758-Q791 PolarHBondContact ND2-O 2.89Å; N758-Q791 PolarHBondContact OD1-O 3.34Å; M788-Q791 WeakPolarHBondContact O-CB 3.47Å; M788-Q791 PolarHBondContact O-N 3.45Å; L789-Q791 PolarHBondContact O-N 2.93Å; L789-Q791 VanDerWaalsContact O-N 3.11Å |
| 792 | F | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -129 | -13.3 | -174.6 | 67.3 | -103.3 | 0 | 0 | 0 | 114.4 | V754 I757 I774 V785 M788 L789 R794 P795 W796 I816 M819 | V754-F792 HydrophobicContact CG2-CD1 3.94Å; I757-F792 HydrophobicContact CG2-CB 3.83Å; I774-F792 HydrophobicContact CG2-CD1 4.18Å; I774-F792 HydrophobicContact CG2-CD2 3.88Å; I774-F792 HydrophobicContact CG2-CE1 3.86Å; I774-F792 HydrophobicContact CG2-CE2 3.55Å; I774-F792 HydrophobicContact CG2-CG 4.2Å; I774-F792 HydrophobicContact CG2-CZ 3.54Å; V785-F792 HydrophobicContact CG1-CE1 4.37Å; V785-F792 HydrophobicContact CG1-CZ 4.39Å; M788-F792 HydrophobicContact CB-CD1 4.26Å; M788-F792 HydrophobicContact CB-CE1 4.06Å; M788-F792 WeakPolarHBondContact O-CD1 3.29Å; M788-F792 WeakPolarHBondContact O-CE1 3.34Å; L789-F792 HydrophobicContact CD1-CZ 4.34Å; L789-F792 HydrophobicContact CG-CZ 4.4Å; L789-F792 PolarHBondContact O-N 3.26Å; F792-R794 PolarHBondContact O-N 3.49Å; F792-R794 VanDerWaalsContact O-N 3.13Å; F792-P795 WeakPolarHBondContact O-CD 3.48Å; F792-P795 VanDerWaalsContact O-CG 3.29Å; F792-P795 WeakPolarHBondContact O-CG 3.25Å; F792-W796 HydrophobicContact CD2-CB 3.99Å; F792-W796 HydrophobicContact CD2-CG 4.21Å; F792-W796 WeakPolarHBondContact O-CB 3.31Å; F792-W796 PolarHBondContact O-N 3.34Å; F792-I816 HydrophobicContact CE2-CD1 3.8Å; F792-I816 HydrophobicContact CZ-CD1 4.45Å; F792-M819 HydrophobicContact CE2-CE 4.31Å; F792-M819 HydrophobicContact CZ-CE 3.96Å; F792-M819 HydrophobicContact CZ-SD 4.09Å |
| 793 | I | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -56.5 | -37 | -171.7 | -173.1 | 61.4 | 0 | 0 | 0 | 113.3 | L789 W796 C797 I816 V827 D830 | L789-I793 VanDerWaalsContact O-CB 3.29Å; L789-I793 WeakPolarHBondContact O-CB 3.45Å; L789-I793 WeakPolarHBondContact O-CG2 3.49Å; L789-I793 PolarHBondContact O-N 3.09Å; I793-W796 HydrophobicContact CD1-CE3 4.48Å; I793-C797 WeakPolarHBondContact O-CB 3.44Å; I793-C797 PolarHBondContact O-N 2.88Å; I793-C797 PolarHBondContact O-SG 3.15Å; I793-I816 HydrophobicContact CD1-CD1 3.72Å; I793-I816 HydrophobicContact CD1-CG1 3.71Å; I793-V827 HydrophobicContact CD1-CG2 4.36Å; I793-V827 HydrophobicContact CG1-CG2 3.85Å; I793-D830 HydrophobicContact CG2-CB 4Å |
| 794 | R | 96.7 | Very high | 95 | Very high | 142 Ų | 142 | 42.7 Ų | 42.7 | 54% | 0.536 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -67.8 | -58.2 | -179.8 | -179.9 | 174 | 177.1 | -174.5 | -0.4 | 113 | F792 W796 C797 T798 F833 | F792-R794 PolarHBondContact O-N 3.49Å; F792-R794 VanDerWaalsContact O-N 3.13Å; R794-W796 VanDerWaalsContact C-N 3.27Å; R794-W796 PolarHBondContact O-N 3.33Å; R794-C797 PolarHBondContact O-N 3.01Å; R794-T798 PolarHBondContact O-N 3.01Å; R794-T798 VanDerWaalsContact O-N 3.11Å; R794-T798 PolarHBondContact O-OG1 3.41Å; R794-F833 HydrophobicContact CG-CD1 4.06Å; R794-F833 HydrophobicContact CG-CD2 4.02Å; R794-F833 HydrophobicContact CG-CE1 3.89Å; R794-F833 HydrophobicContact CG-CE2 3.84Å; R794-F833 HydrophobicContact CG-CG 4.14Å; R794-F833 HydrophobicContact CG-CZ 3.79Å |
| 795 | P | 96.8 | Very high | 94.6 | Very high | 27 Ų | 27 | 40.7 Ų | 40.7 | 18% | 0.175 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.9 | -34.3 | 176.1 | 26.9 | -36.2 | 0 | 0 | 0 | 111.7 | I757 F792 C797 T798 S799 | I757-P795 HydrophobicContact CG1-CB 4.07Å; I757-P795 HydrophobicContact CG1-CG 4.18Å; I757-P795 HydrophobicContact CG2-CG 4.28Å; I757-P795 VanDerWaalsContact O-CB 3.3Å; I757-P795 WeakPolarHBondContact O-CB 3.46Å; F792-P795 WeakPolarHBondContact O-CD 3.48Å; F792-P795 VanDerWaalsContact O-CG 3.29Å; F792-P795 WeakPolarHBondContact O-CG 3.25Å; P795-C797 PolarHBondContact O-N 3.49Å; P795-T798 WeakPolarHBondContact O-CB 3.49Å; P795-T798 PolarHBondContact O-N 3.39Å; P795-T798 VanDerWaalsContact O-N 3.12Å; P795-S799 PolarHBondContact O-N 3.01Å; P795-S799 PolarHBondContact O-OG 3.28Å; P795-S799 VanDerWaalsContact O-OG 3.12Å |
| 796 | W | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -56.8 | -49.4 | 174.9 | -173.4 | 98.3 | 0 | 0 | 0 | 113.2 | I757 A771 F792 I793 R794 T798 S799 L800 A812 F813 I816 | I757-W796 HydrophobicContact CD1-CB 3.92Å; A771-W796 HydrophobicContact CB-CG 4.06Å; A771-W796 VanDerWaalsContact O-CD1 3.3Å; A771-W796 PolarHBondContact O-NE1 2.94Å; F792-W796 HydrophobicContact CD2-CB 3.99Å; F792-W796 HydrophobicContact CD2-CG 4.21Å; F792-W796 WeakPolarHBondContact O-CB 3.31Å; F792-W796 PolarHBondContact O-N 3.34Å; I793-W796 HydrophobicContact CD1-CE3 4.48Å; R794-W796 VanDerWaalsContact C-N 3.27Å; R794-W796 PolarHBondContact O-N 3.33Å; W796-T798 VanDerWaalsContact C-N 3.3Å; W796-T798 PolarHBondContact O-N 3.34Å; W796-S799 PolarHBondContact O-N 3Å; W796-L800 HydrophobicContact CD2-CD1 4.05Å; W796-L800 VanDerWaalsContact CE2-CD1 3.48Å; W796-L800 HydrophobicContact CE3-CD1 4.41Å; W796-L800 HydrophobicContact CH2-CD1 3.71Å; W796-L800 HydrophobicContact CZ2-CD1 3.31Å; W796-L800 HydrophobicContact CZ3-CD1 4.24Å; W796-L800 PolarHBondContact O-N 3.46Å; W796-L800 VanDerWaalsContact O-N 3.1Å; W796-A812 HydrophobicContact CZ2-CB 4.08Å; W796-F813 AromaticContact CH2-CD1 3.97Å; W796-F813 HydrophobicContact CH2-CD1 3.97Å; W796-F813 AromaticContact CH2-CD2 3.79Å; W796-F813 HydrophobicContact CH2-CD2 3.79Å; W796-F813 HydrophobicContact CH2-CE1 4.1Å; W796-F813 AromaticContact CH2-CE2 3.93Å; W796-F813 HydrophobicContact CH2-CE2 3.93Å; W796-F813 AromaticContact CH2-CG 3.85Å; W796-F813 HydrophobicContact CH2-CG 3.85Å; W796-F813 HydrophobicContact CH2-CZ 4.1Å; W796-F813 HydrophobicContact CZ3-CD1 4.34Å; W796-F813 HydrophobicContact CZ3-CE1 4.08Å; W796-F813 HydrophobicContact CZ3-CE2 4.32Å; W796-F813 HydrophobicContact CZ3-CZ 4.09Å; W796-I816 HydrophobicContact CD2-CD1 4.26Å; W796-I816 HydrophobicContact CD2-CG1 4.48Å; W796-I816 HydrophobicContact CE3-CD1 4.41Å; W796-I816 HydrophobicContact CE3-CG1 4.19Å; W796-I816 HydrophobicContact CH2-CB 3.65Å; W796-I816 HydrophobicContact CH2-CG1 4.06Å; W796-I816 HydrophobicContact CH2-CG2 3.57Å; W796-I816 HydrophobicContact CZ2-CB 3.86Å; W796-I816 HydrophobicContact CZ2-CD1 4.47Å; W796-I816 HydrophobicContact CZ2-CG1 4.29Å; W796-I816 HydrophobicContact CZ2-CG2 4.26Å; W796-I816 HydrophobicContact CZ3-CB 4.09Å; W796-I816 HydrophobicContact CZ3-CG1 3.99Å; W796-I816 HydrophobicContact CZ3-CG2 3.91Å |
| 797 | C | 97.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.014 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -65.6 | -36.7 | 176.8 | -69.7 | 0 | 0 | 0 | 0 | 111.7 | I793 R794 P795 R801 F833 A837 | I793-C797 WeakPolarHBondContact O-CB 3.44Å; I793-C797 PolarHBondContact O-N 2.88Å; I793-C797 PolarHBondContact O-SG 3.15Å; R794-C797 PolarHBondContact O-N 3.01Å; P795-C797 PolarHBondContact O-N 3.49Å; C797-R801 WeakPolarHBondContact O-CB 3.22Å; C797-R801 WeakPolarHBondContact O-CG 3.37Å; C797-R801 PolarHBondContact O-N 3.36Å; C797-F833 HydrophobicContact CB-CB 3.7Å; C797-F833 WeakPolarHBondContact CB-O 3.5Å; C797-A837 HydrophobicContact CB-CB 3.91Å |
| 798 | T | 94.6 | Very high | 93.6 | Very high | 68 Ų | 68 | 46.6 Ų | 46.6 | 42% | 0.417 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -67.7 | -37.8 | -179.3 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | R794 P795 W796 R801 | R794-T798 PolarHBondContact O-N 3.01Å; R794-T798 VanDerWaalsContact O-N 3.11Å; R794-T798 PolarHBondContact O-OG1 3.41Å; P795-T798 WeakPolarHBondContact O-CB 3.49Å; P795-T798 PolarHBondContact O-N 3.39Å; P795-T798 VanDerWaalsContact O-N 3.12Å; W796-T798 VanDerWaalsContact C-N 3.3Å; W796-T798 PolarHBondContact O-N 3.34Å; T798-R801 WeakPolarHBondContact O-CG 3.44Å |
| 799 | S | 94.1 | Very high | 93.5 | Very high | 14 Ų | 14 | 45.5 Ų | 45.5 | 10% | 0.098 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -72.5 | -50.8 | 176.9 | -59.2 | 0 | 0 | 0 | 0 | 111.7 | P795 W796 R801 | P795-S799 PolarHBondContact O-N 3.01Å; P795-S799 PolarHBondContact O-OG 3.28Å; P795-S799 VanDerWaalsContact O-OG 3.12Å; W796-S799 PolarHBondContact O-N 3Å; S799-R801 VanDerWaalsContact C-N 3.34Å; S799-R801 PolarHBondContact O-N 3.15Å |
| 800 | L | 94.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -79.2 | -10.4 | -170.6 | -60 | -169.1 | 0 | 0 | 0 | 115.4 | A771 I772 W796 N802 I803 K809 A812 F813 | A771-L800 HydrophobicContact CB-CD1 4.12Å; A771-L800 HydrophobicContact CB-CD2 3.72Å; A771-L800 HydrophobicContact CB-CG 3.74Å; I772-L800 HydrophobicContact CD1-CD2 4.22Å; I772-L800 HydrophobicContact CG1-CD1 4.44Å; I772-L800 HydrophobicContact CG1-CD2 3.85Å; W796-L800 HydrophobicContact CD2-CD1 4.05Å; W796-L800 VanDerWaalsContact CE2-CD1 3.48Å; W796-L800 HydrophobicContact CE3-CD1 4.41Å; W796-L800 HydrophobicContact CH2-CD1 3.71Å; W796-L800 HydrophobicContact CZ2-CD1 3.31Å; W796-L800 HydrophobicContact CZ3-CD1 4.24Å; W796-L800 PolarHBondContact O-N 3.46Å; W796-L800 VanDerWaalsContact O-N 3.1Å; L800-N802 PolarHBondContact O-N 3.43Å; L800-I803 HydrophobicContact CD2-CD1 3.4Å; L800-I803 VanDerWaalsContact CD2-CD1 3.4Å; L800-K809 WeakPolarHBondContact O-CE 3.44Å; L800-A812 HydrophobicContact CD1-CB 3.94Å; L800-F813 HydrophobicContact CB-CE2 3.96Å; L800-F813 HydrophobicContact CB-CZ 4.46Å; L800-F813 HydrophobicContact CD1-CD2 4.45Å; L800-F813 HydrophobicContact CD1-CE2 4.16Å |
| 801 | R | 90.8 | Very high | 93.5 | Very high | 101 Ų | 101 | 43 Ų | 43 | 38% | 0.381 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68 | -18.8 | 179.6 | 56.8 | 165 | -88.1 | 173.5 | -8 | 114.3 | C797 T798 S799 D836 S840 | C797-R801 WeakPolarHBondContact O-CB 3.22Å; C797-R801 WeakPolarHBondContact O-CG 3.37Å; C797-R801 PolarHBondContact O-N 3.36Å; T798-R801 WeakPolarHBondContact O-CG 3.44Å; S799-R801 VanDerWaalsContact C-N 3.34Å; S799-R801 PolarHBondContact O-N 3.15Å; R801-D836 WeakPolarHBondContact CD-OD2 3.36Å; R801-D836 IonicContact CZ-OD2 2.79Å; R801-D836 IonicContact NE-OD2 2.82Å; R801-D836 IonicContact NH1-OD1 2.92Å; R801-D836 IonicContact NH1-OD2 3.64Å; R801-D836 PolarHBondContact NH1-OD2 3.17Å; R801-S840 WeakPolarHBondContact O-CB 3.35Å |
| 802 | N | 82.4 | Confident | 93.5 | Very high | 64 Ų | 64 | 37.9 Ų | 37.9 | 34% | 0.342 | 18% | 0.177 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | 1.6 | -175.1 | -58 | -32.5 | 0 | 0 | 0 | 113.1 | E348 L800 | E348-N802 PolarHBondContact N-O 3.07Å; L800-N802 PolarHBondContact O-N 3.43Å |
| 803 | I | 86.3 | Confident | 93.5 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | B | Isolated β-bridge | trans | -88.8 | 142.6 | -179.2 | -51.9 | -176.8 | 0 | 0 | 0 | 109.7 | L345 E768 I772 L800 K809 | L345-I803 HydrophobicContact CB-CG2 4.24Å; L345-I803 HydrophobicContact CD1-CD1 3.82Å; E768-I803 HydrophobicContact CB-CD1 3.69Å; E768-I803 HydrophobicContact CG-CD1 3.62Å; E768-I803 HydrophobicContact CG-CG1 4.21Å; I772-I803 HydrophobicContact CD1-CD1 4.44Å; L800-I803 HydrophobicContact CD2-CD1 3.4Å; L800-I803 VanDerWaalsContact CD2-CD1 3.4Å; I803-K809 WeakPolarHBondContact O-CE 3.37Å; I803-K809 PolarHBondContact O-NZ 3Å |
| 804 | R | 86.2 | Confident | 93.5 | Very high | 106 Ų | 106 | 39 Ų | 39 | 40% | 0.4 | 18% | 0.181 | S | C | . | . | trans | -57.8 | 149.1 | 173.3 | -70.4 | -176.1 | -173.8 | 176.4 | 0.9 | 112 | Q346 H347 E348 N806 K809 | Q346-R804 HydrophobicContact CB-CG 4.44Å; Q346-R804 WeakPolarHBondContact O-CG 3.45Å; Q346-R804 PolarHBondContact O-N 3Å; H347-R804 PolarHBondContact O-NE 3.29Å; H347-R804 PolarHBondContact O-NH2 3.4Å; H347-R804 VanDerWaalsContact O-NH2 3.16Å; E348-R804 HydrophobicContact CG-CB 4.34Å; E348-R804 HydrophobicContact CG-CG 3.74Å; R804-N806 PolarHBondContact O-N 3.34Å; R804-K809 WeakPolarHBondContact O-CD 3.34Å | ||
| 805 | D | 89.5 | Confident | 93.6 | Very high | 46 Ų | 46 | 32.2 Ų | 32.2 | 25% | 0.246 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -64.7 | 103 | 171.8 | -69.3 | -6.5 | 0 | 0 | 0 | 110.3 | K809 W841 V842 N843 | D805-K809 IonicContact OD1-NZ 3.9Å; D805-K809 PolarHBondContact OD1-NZ 3Å; D805-W841 HydrophobicContact CB-CE3 3.96Å; D805-W841 HydrophobicContact CB-CZ3 3.84Å; D805-W841 VanDerWaalsContact OD1-CE3 3.26Å; D805-V842 PolarHBondContact OD2-N 2.99Å; D805-N843 PolarHBondContact OD2-N 2.91Å |
| 806 | N | 89.2 | Confident | 93.7 | Very high | 43 Ų | 43 | 30.9 Ų | 30.9 | 23% | 0.23 | 15% | 0.147 | C | C | . | . | trans | -136.1 | -179.3 | 178 | 63.9 | 9 | 0 | 0 | 0 | 111.6 | R804 E808 K809 D810 | R804-N806 PolarHBondContact O-N 3.34Å; N806-E808 VanDerWaalsContact C-N 3.31Å; N806-E808 PolarHBondContact ND2-OE2 3.06Å; N806-E808 PolarHBondContact O-N 3.15Å; N806-E808 PolarHBondContact OD1-N 3.41Å; N806-E808 PolarHBondContact OD1-OE2 3.18Å; N806-K809 PolarHBondContact O-N 3.18Å; N806-K809 VanDerWaalsContact OD1-CB 3.25Å; N806-K809 WeakPolarHBondContact OD1-CB 3.42Å; N806-K809 PolarHBondContact OD1-N 3.33Å; N806-D810 WeakPolarHBondContact O-CB 3.3Å; N806-D810 PolarHBondContact O-N 2.86Å | ||
| 807 | E | 90.4 | Very high | 93.7 | Very high | 117 Ų | 117 | 31.2 Ų | 31.2 | 55% | 0.547 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -67.5 | -32 | -178.3 | -68 | -65.5 | 151.7 | 0 | 0 | 112.1 | D810 S811 K845 | E807-D810 PolarHBondContact O-N 3.31Å; E807-S811 WeakPolarHBondContact O-CB 3.32Å; E807-S811 PolarHBondContact O-N 3.04Å; E807-S811 PolarHBondContact O-OG 2.82Å; E807-K845 IonicContact OE1-NZ 3.76Å; E807-K845 PolarHBondContact OE1-NZ 3.44Å; E807-K845 IonicContact OE2-NZ 2.84Å; E807-K845 PolarHBondContact OE2-NZ 3.39Å |
| 808 | E | 93 | Very high | 93.7 | Very high | 47 Ų | 47 | 33.8 Ų | 33.8 | 22% | 0.22 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -63 | -52.8 | 175.6 | -65 | 73.1 | -165.1 | 0 | 0 | 110.6 | L345 I772 N806 D810 S811 A812 | L345-E808 HydrophobicContact CD2-CB 4.39Å; L345-E808 HydrophobicContact CD2-CG 4.26Å; I772-E808 HydrophobicContact CD1-CB 4.01Å; I772-E808 HydrophobicContact CG2-CB 4.37Å; N806-E808 VanDerWaalsContact C-N 3.31Å; N806-E808 PolarHBondContact ND2-OE2 3.06Å; N806-E808 PolarHBondContact O-N 3.15Å; N806-E808 PolarHBondContact OD1-N 3.41Å; N806-E808 PolarHBondContact OD1-OE2 3.18Å; E808-D810 PolarHBondContact O-N 2.85Å; E808-S811 PolarHBondContact O-N 2.74Å; E808-S811 PolarHBondContact O-OG 3.33Å; E808-A812 WeakPolarHBondContact O-CB 3.47Å; E808-A812 PolarHBondContact O-N 3.47Å |
| 809 | K | 95.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -60 | -44.5 | 175.7 | -163 | -174.1 | 178.7 | -178.1 | 0 | 110.5 | L800 I803 R804 D805 N806 S811 A812 F813 S840 W841 | L800-K809 WeakPolarHBondContact O-CE 3.44Å; I803-K809 WeakPolarHBondContact O-CE 3.37Å; I803-K809 PolarHBondContact O-NZ 3Å; R804-K809 WeakPolarHBondContact O-CD 3.34Å; D805-K809 IonicContact OD1-NZ 3.9Å; D805-K809 PolarHBondContact OD1-NZ 3Å; N806-K809 PolarHBondContact O-N 3.18Å; N806-K809 VanDerWaalsContact OD1-CB 3.25Å; N806-K809 WeakPolarHBondContact OD1-CB 3.42Å; N806-K809 PolarHBondContact OD1-N 3.33Å; K809-S811 PolarHBondContact O-N 2.95Å; K809-A812 PolarHBondContact O-N 3.35Å; K809-F813 HydrophobicContact CD-CE2 4.35Å; K809-F813 HydrophobicContact CG-CD2 3.76Å; K809-F813 HydrophobicContact CG-CE2 3.64Å; K809-F813 VanDerWaalsContact O-CD2 3.27Å; K809-F813 WeakPolarHBondContact O-CD2 3.43Å; K809-F813 PolarHBondContact O-N 3.4Å; K809-S840 PolarHBondContact NZ-OG 3.02Å; K809-W841 HydrophobicContact CB-CH2 4.09Å; K809-W841 HydrophobicContact CB-CZ2 4.03Å; K809-W841 HydrophobicContact CD-CH2 4.18Å; K809-W841 HydrophobicContact CD-CZ2 3.83Å; K809-W841 HydrophobicContact CG-CH2 4.05Å; K809-W841 HydrophobicContact CG-CZ2 3.55Å |
| 810 | D | 96.9 | Very high | 94 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 6% | 0.059 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -58.4 | -49.9 | 177.8 | 176 | 82.6 | 0 | 0 | 0 | 111.2 | N806 E807 E808 A812 F813 R814 W841 K845 L848 | N806-D810 WeakPolarHBondContact O-CB 3.3Å; N806-D810 PolarHBondContact O-N 2.86Å; E807-D810 PolarHBondContact O-N 3.31Å; E808-D810 PolarHBondContact O-N 2.85Å; D810-A812 VanDerWaalsContact C-N 3.34Å; D810-A812 PolarHBondContact O-N 3.15Å; D810-F813 PolarHBondContact O-N 3.49Å; D810-R814 VanDerWaalsContact CG-NE 3.34Å; D810-R814 VanDerWaalsContact O-CG 3.3Å; D810-R814 WeakPolarHBondContact O-CG 3.29Å; D810-R814 PolarHBondContact O-N 3.06Å; D810-R814 IonicContact OD1-CZ 2.58Å; D810-R814 IonicContact OD1-NE 3.7Å; D810-R814 PolarHBondContact OD1-NE 2.9Å; D810-R814 IonicContact OD1-NH2 3.73Å; D810-R814 PolarHBondContact OD1-NH2 2.75Å; D810-R814 IonicContact OD2-CZ 2.68Å; D810-R814 IonicContact OD2-NE 3.49Å; D810-R814 PolarHBondContact OD2-NE 3.06Å; D810-R814 IonicContact OD2-NH2 3.76Å; D810-R814 PolarHBondContact OD2-NH2 3.44Å; D810-W841 HydrophobicContact CB-CH2 3.89Å; D810-K845 IonicContact OD2-NZ 2.99Å; D810-L848 WeakPolarHBondContact OD1-CD2 3.49Å |
| 811 | S | 97.1 | Very high | 94 | Very high | 8 Ų | 8 | 33.2 Ų | 33.2 | 6% | 0.056 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.6 | -40.5 | 179 | 70.1 | 0 | 0 | 0 | 0 | 112.8 | R776 E807 E808 K809 G815 | R776-S811 PolarHBondContact NE-OG 3.16Å; E807-S811 WeakPolarHBondContact O-CB 3.32Å; E807-S811 PolarHBondContact O-N 3.04Å; E807-S811 PolarHBondContact O-OG 2.82Å; E808-S811 PolarHBondContact O-N 2.74Å; E808-S811 PolarHBondContact O-OG 3.33Å; K809-S811 PolarHBondContact O-N 2.95Å; S811-G815 PolarHBondContact O-N 3.18Å |
| 812 | A | 97.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -66.1 | -44.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I772 W796 L800 E808 K809 D810 G815 I816 | I772-A812 HydrophobicContact CB-CB 4.34Å; I772-A812 HydrophobicContact CG1-CB 4.06Å; I772-A812 HydrophobicContact CG2-CB 4.49Å; W796-A812 HydrophobicContact CZ2-CB 4.08Å; L800-A812 HydrophobicContact CD1-CB 3.94Å; E808-A812 WeakPolarHBondContact O-CB 3.47Å; E808-A812 PolarHBondContact O-N 3.47Å; K809-A812 PolarHBondContact O-N 3.35Å; D810-A812 VanDerWaalsContact C-N 3.34Å; D810-A812 PolarHBondContact O-N 3.15Å; A812-G815 WeakPolarHBondContact O-CA 3.42Å; A812-G815 PolarHBondContact O-N 3.43Å; A812-G815 VanDerWaalsContact O-N 3.15Å; A812-I816 PolarHBondContact O-N 2.9Å |
| 813 | F | 98.3 | Very high | 94.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -70.7 | -31 | 178.8 | -87 | -99.2 | 0 | 0 | 0 | 112.9 | W796 L800 K809 D810 G815 I816 C817 A837 W841 L848 F852 | W796-F813 AromaticContact CH2-CD1 3.97Å; W796-F813 HydrophobicContact CH2-CD1 3.97Å; W796-F813 AromaticContact CH2-CD2 3.79Å; W796-F813 HydrophobicContact CH2-CD2 3.79Å; W796-F813 HydrophobicContact CH2-CE1 4.1Å; W796-F813 AromaticContact CH2-CE2 3.93Å; W796-F813 HydrophobicContact CH2-CE2 3.93Å; W796-F813 AromaticContact CH2-CG 3.85Å; W796-F813 HydrophobicContact CH2-CG 3.85Å; W796-F813 HydrophobicContact CH2-CZ 4.1Å; W796-F813 HydrophobicContact CZ3-CD1 4.34Å; W796-F813 HydrophobicContact CZ3-CE1 4.08Å; W796-F813 HydrophobicContact CZ3-CE2 4.32Å; W796-F813 HydrophobicContact CZ3-CZ 4.09Å; L800-F813 HydrophobicContact CB-CE2 3.96Å; L800-F813 HydrophobicContact CB-CZ 4.46Å; L800-F813 HydrophobicContact CD1-CD2 4.45Å; L800-F813 HydrophobicContact CD1-CE2 4.16Å; K809-F813 HydrophobicContact CD-CE2 4.35Å; K809-F813 HydrophobicContact CG-CD2 3.76Å; K809-F813 HydrophobicContact CG-CE2 3.64Å; K809-F813 VanDerWaalsContact O-CD2 3.27Å; K809-F813 WeakPolarHBondContact O-CD2 3.43Å; K809-F813 PolarHBondContact O-N 3.4Å; D810-F813 PolarHBondContact O-N 3.49Å; F813-G815 VanDerWaalsContact C-N 3.27Å; F813-G815 PolarHBondContact O-N 2.9Å; F813-I816 HydrophobicContact CD1-CG2 4.31Å; F813-I816 WeakPolarHBondContact O-CG2 3.45Å; F813-I816 PolarHBondContact O-N 2.65Å; F813-C817 WeakPolarHBondContact O-CB 3.25Å; F813-C817 PolarHBondContact O-N 3.41Å; F813-C817 PolarHBondContact O-SG 3.02Å; F813-A837 HydrophobicContact CE1-CB 3.97Å; F813-A837 HydrophobicContact CZ-CB 3.89Å; F813-W841 HydrophobicContact CB-CZ2 4.14Å; F813-W841 AromaticContact CD1-NE1 3.53Å; F813-W841 AromaticContact CD2-CZ2 3.81Å; F813-W841 HydrophobicContact CD2-CZ2 3.81Å; F813-W841 AromaticContact CD2-NE1 3.58Å; F813-W841 AromaticContact CE1-NE1 3.48Å; F813-W841 HydrophobicContact CE2-CZ2 4.36Å; F813-W841 AromaticContact CE2-NE1 3.53Å; F813-W841 HydrophobicContact CG-CZ2 4.02Å; F813-W841 AromaticContact CG-NE1 3.55Å; F813-W841 AromaticContact CZ-NE1 3.47Å; F813-L848 HydrophobicContact CB-CD1 4.2Å; F813-L848 HydrophobicContact CB-CD2 4.22Å; F813-F852 HydrophobicContact CB-CE1 4.2Å; F813-F852 HydrophobicContact CB-CZ 4.08Å; F813-F852 AromaticContact CD1-CE1 3.68Å; F813-F852 HydrophobicContact CD1-CE1 3.68Å; F813-F852 AromaticContact CD1-CZ 3.63Å; F813-F852 HydrophobicContact CD1-CZ 3.63Å; F813-F852 HydrophobicContact CE1-CZ 4.38Å; F813-F852 HydrophobicContact CG-CE1 4.38Å; F813-F852 HydrophobicContact CG-CZ 4.14Å |
| 814 | R | 98.3 | Very high | 95.1 | Very high | 22 Ų | 22 | 33.2 Ų | 33.2 | 8% | 0.083 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 167.9 | -71.6 | 171 | -173 | -74.7 | -14.1 | 110.7 | Y779 D810 C817 I818 D847 L848 | Y779-R814 HydrophobicContact CD2-CB 3.64Å; Y779-R814 HydrophobicContact CE2-CB 3.66Å; Y779-R814 HydrophobicContact CE2-CG 4.49Å; Y779-R814 HydrophobicContact CG-CB 4.5Å; D810-R814 VanDerWaalsContact CG-NE 3.34Å; D810-R814 VanDerWaalsContact O-CG 3.3Å; D810-R814 WeakPolarHBondContact O-CG 3.29Å; D810-R814 PolarHBondContact O-N 3.06Å; D810-R814 IonicContact OD1-CZ 2.58Å; D810-R814 IonicContact OD1-NE 3.7Å; D810-R814 PolarHBondContact OD1-NE 2.9Å; D810-R814 IonicContact OD1-NH2 3.73Å; D810-R814 PolarHBondContact OD1-NH2 2.75Å; D810-R814 IonicContact OD2-CZ 2.68Å; D810-R814 IonicContact OD2-NE 3.49Å; D810-R814 PolarHBondContact OD2-NE 3.06Å; D810-R814 IonicContact OD2-NH2 3.76Å; D810-R814 PolarHBondContact OD2-NH2 3.44Å; R814-C817 PolarHBondContact O-N 2.89Å; R814-I818 WeakPolarHBondContact O-CG1 3.49Å; R814-I818 PolarHBondContact O-N 3.41Å; R814-D847 IonicContact CZ-OD1 2.68Å; R814-D847 IonicContact CZ-OD2 3.81Å; R814-D847 IonicContact NH1-OD1 3.93Å; R814-D847 IonicContact NH1-OD2 3.76Å; R814-D847 PolarHBondContact NH1-OD2 2.83Å; R814-D847 VanDerWaalsContact NH2-CG 3.33Å; R814-D847 IonicContact NH2-OD1 2.65Å; R814-D847 PolarHBondContact NH2-OD1 3.02Å; R814-D847 IonicContact NH2-OD2 2.83Å; R814-D847 PolarHBondContact NH2-OD2 3.03Å; R814-L848 HydrophobicContact CG-CD1 4.01Å |
| 815 | G | 97.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -57.1 | -50.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | G775 S811 A812 F813 C817 I818 M819 | G775-G815 VanDerWaalsContact O-CA 3.27Å; G775-G815 WeakPolarHBondContact O-CA 3.49Å; S811-G815 PolarHBondContact O-N 3.18Å; A812-G815 WeakPolarHBondContact O-CA 3.42Å; A812-G815 PolarHBondContact O-N 3.43Å; A812-G815 VanDerWaalsContact O-N 3.15Å; F813-G815 VanDerWaalsContact C-N 3.27Å; F813-G815 PolarHBondContact O-N 2.9Å; G815-C817 VanDerWaalsContact C-N 3.31Å; G815-C817 PolarHBondContact O-N 3.46Å; G815-I818 PolarHBondContact O-N 2.94Å; G815-M819 WeakPolarHBondContact O-CG 3.37Å; G815-M819 PolarHBondContact O-N 3.45Å |
| 816 | I | 98.3 | Very high | 95.4 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62 | -39.9 | 178.9 | -149 | 64.5 | 0 | 0 | 0 | 111.7 | L789 F792 I793 W796 A812 F813 I818 M819 I820 F834 | L789-I816 HydrophobicContact CD1-CD1 3.98Å; F792-I816 HydrophobicContact CE2-CD1 3.8Å; F792-I816 HydrophobicContact CZ-CD1 4.45Å; I793-I816 HydrophobicContact CD1-CD1 3.72Å; I793-I816 HydrophobicContact CD1-CG1 3.71Å; W796-I816 HydrophobicContact CD2-CD1 4.26Å; W796-I816 HydrophobicContact CD2-CG1 4.48Å; W796-I816 HydrophobicContact CE3-CD1 4.41Å; W796-I816 HydrophobicContact CE3-CG1 4.19Å; W796-I816 HydrophobicContact CH2-CB 3.65Å; W796-I816 HydrophobicContact CH2-CG1 4.06Å; W796-I816 HydrophobicContact CH2-CG2 3.57Å; W796-I816 HydrophobicContact CZ2-CB 3.86Å; W796-I816 HydrophobicContact CZ2-CD1 4.47Å; W796-I816 HydrophobicContact CZ2-CG1 4.29Å; W796-I816 HydrophobicContact CZ2-CG2 4.26Å; W796-I816 HydrophobicContact CZ3-CB 4.09Å; W796-I816 HydrophobicContact CZ3-CG1 3.99Å; W796-I816 HydrophobicContact CZ3-CG2 3.91Å; A812-I816 PolarHBondContact O-N 2.9Å; F813-I816 HydrophobicContact CD1-CG2 4.31Å; F813-I816 WeakPolarHBondContact O-CG2 3.45Å; F813-I816 PolarHBondContact O-N 2.65Å; I816-I818 PolarHBondContact O-N 3.31Å; I816-M819 HydrophobicContact CD1-CE 3.65Å; I816-M819 PolarHBondContact O-N 3.42Å; I816-I820 HydrophobicContact CG1-CD1 4.32Å; I816-I820 WeakPolarHBondContact O-CB 3.16Å; I816-I820 VanDerWaalsContact O-CG1 3.25Å; I816-I820 WeakPolarHBondContact O-CG1 3.48Å; I816-I820 PolarHBondContact O-N 3.25Å; I816-F834 HydrophobicContact CG2-CD2 4.42Å; I816-F834 HydrophobicContact CG2-CE2 3.81Å |
| 817 | C | 98.1 | Very high | 95.5 | Very high | 7 Ų | 7 | 27 Ų | 27 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -64 | -43.1 | 178.6 | -69.3 | 0 | 0 | 0 | 0 | 112.1 | F813 R814 G815 I820 G821 M851 I855 | F813-C817 WeakPolarHBondContact O-CB 3.25Å; F813-C817 PolarHBondContact O-N 3.41Å; F813-C817 PolarHBondContact O-SG 3.02Å; R814-C817 PolarHBondContact O-N 2.89Å; G815-C817 VanDerWaalsContact C-N 3.31Å; G815-C817 PolarHBondContact O-N 3.46Å; C817-I820 PolarHBondContact O-N 3.31Å; C817-G821 PolarHBondContact O-N 3.13Å; C817-M851 HydrophobicContact CB-CB 3.97Å; C817-M851 HydrophobicContact CB-CG 4.47Å; C817-M851 HydrophobicContact CB-SD 3.87Å; C817-I855 HydrophobicContact CB-CD1 3.73Å |
| 818 | I | 97.8 | Very high | 95.4 | Very high | 55 Ų | 55 | 24.2 Ų | 24.2 | 28% | 0.282 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -65.6 | -43.9 | 176.8 | -65.5 | -179.7 | 0 | 0 | 0 | 110.5 | Y779 P782 R814 G815 I816 I820 G821 V822 | Y779-I818 HydrophobicContact CD2-CD1 3.47Å; Y779-I818 VanDerWaalsContact CD2-CD1 3.47Å; Y779-I818 HydrophobicContact CE2-CD1 3.6Å; P782-I818 HydrophobicContact CB-CG2 3.65Å; P782-I818 HydrophobicContact CG-CG2 3.78Å; R814-I818 WeakPolarHBondContact O-CG1 3.49Å; R814-I818 PolarHBondContact O-N 3.41Å; G815-I818 PolarHBondContact O-N 2.94Å; I816-I818 PolarHBondContact O-N 3.31Å; I818-I820 PolarHBondContact O-N 3.48Å; I818-G821 WeakPolarHBondContact O-CA 3.49Å; I818-G821 PolarHBondContact O-N 2.73Å; I818-G821 VanDerWaalsContact O-N 3.11Å; I818-V822 PolarHBondContact O-N 3.32Å; I818-V822 VanDerWaalsContact O-N 3.1Å |
| 819 | M | 98.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63 | -40.6 | 178 | -71.2 | -168.3 | -82.8 | 0 | 0 | 112.5 | P782 V785 A786 L789 F792 G815 I816 G821 V822 N823 | P782-M819 HydrophobicContact CB-CG 4.49Å; V785-M819 HydrophobicContact CB-SD 3.69Å; V785-M819 HydrophobicContact CG1-CE 4.33Å; V785-M819 HydrophobicContact CG1-SD 3.4Å; V785-M819 WeakPolarHBondContact CG1-SD 3.19Å; A786-M819 HydrophobicContact CB-CB 3.92Å; A786-M819 HydrophobicContact CB-CG 4.1Å; L789-M819 HydrophobicContact CD1-CB 3.41Å; L789-M819 VanDerWaalsContact CD1-CB 3.41Å; L789-M819 HydrophobicContact CD1-CE 4.48Å; L789-M819 HydrophobicContact CD1-CG 4.41Å; L789-M819 HydrophobicContact CD1-SD 4.15Å; F792-M819 HydrophobicContact CE2-CE 4.31Å; F792-M819 HydrophobicContact CZ-CE 3.96Å; F792-M819 HydrophobicContact CZ-SD 4.09Å; G815-M819 WeakPolarHBondContact O-CG 3.37Å; G815-M819 PolarHBondContact O-N 3.45Å; I816-M819 HydrophobicContact CD1-CE 3.65Å; I816-M819 PolarHBondContact O-N 3.42Å; M819-G821 VanDerWaalsContact C-N 3.28Å; M819-G821 PolarHBondContact O-N 3.41Å; M819-V822 PolarHBondContact O-N 3.01Å; M819-V822 VanDerWaalsContact O-N 3.08Å; M819-N823 PolarHBondContact O-N 3.2Å |
| 820 | I | 97.1 | Very high | 95 | Very high | 9 Ų | 9 | 32.2 Ų | 32.2 | 5% | 0.046 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.3 | -39.1 | 173 | -70 | 166.5 | 0 | 0 | 0 | 110.4 | L789 I816 C817 I818 V822 N823 P824 V827 F834 I855 | L789-I820 HydrophobicContact CD1-CG1 4.43Å; L789-I820 HydrophobicContact CD2-CG1 4.11Å; I816-I820 HydrophobicContact CG1-CD1 4.32Å; I816-I820 WeakPolarHBondContact O-CB 3.16Å; I816-I820 VanDerWaalsContact O-CG1 3.25Å; I816-I820 WeakPolarHBondContact O-CG1 3.48Å; I816-I820 PolarHBondContact O-N 3.25Å; C817-I820 PolarHBondContact O-N 3.31Å; I818-I820 PolarHBondContact O-N 3.48Å; I820-V822 PolarHBondContact O-N 2.97Å; I820-N823 CarbonylContact O-C 3.34Å; I820-N823 PolarHBondContact O-N 3.03Å; I820-P824 VanDerWaalsContact O-CA 3.23Å; I820-P824 WeakPolarHBondContact O-CA 3.26Å; I820-P824 WeakPolarHBondContact O-CD 3.32Å; I820-P824 WeakPolarHBondContact O-CG 3.42Å; I820-V827 HydrophobicContact CD1-CG1 4.32Å; I820-V827 HydrophobicContact CD1-CG2 4.42Å; I820-V827 HydrophobicContact CG1-CB 4.34Å; I820-V827 HydrophobicContact CG1-CG1 4.07Å; I820-V827 HydrophobicContact CG2-CG1 4.05Å; I820-F834 HydrophobicContact CD1-CD2 3.86Å; I820-F834 HydrophobicContact CD1-CE1 4.49Å; I820-F834 HydrophobicContact CD1-CE2 3.72Å; I820-F834 HydrophobicContact CD1-CG 4.31Å; I820-F834 HydrophobicContact CD1-CZ 4.05Å; I820-I855 HydrophobicContact CB-CD1 4.23Å; I820-I855 HydrophobicContact CD1-CD1 4.28Å; I820-I855 HydrophobicContact CG2-CD1 4.15Å; I820-I855 HydrophobicContact CG2-CG1 4.24Å; I820-I855 HydrophobicContact CG2-CG2 4Å |
| 821 | G | 94.9 | Very high | 94.8 | Very high | 61 Ų | 61 | 31.8 Ų | 31.8 | 63% | 0.629 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -60.5 | -32.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | C817 I818 M819 | C817-G821 PolarHBondContact O-N 3.13Å; I818-G821 WeakPolarHBondContact O-CA 3.49Å; I818-G821 PolarHBondContact O-N 2.73Å; I818-G821 VanDerWaalsContact O-N 3.11Å; M819-G821 VanDerWaalsContact C-N 3.28Å; M819-G821 PolarHBondContact O-N 3.41Å |
| 822 | V | 96.3 | Very high | 94.5 | Very high | 56 Ų | 56 | 33.7 Ų | 33.7 | 34% | 0.339 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -82.9 | -40.9 | 177.8 | 173.9 | 0 | 0 | 0 | 0 | 112.4 | P782 A786 I818 M819 I820 | P782-V822 HydrophobicContact CB-CG2 4.01Å; P782-V822 HydrophobicContact CG-CG2 4.49Å; A786-V822 HydrophobicContact CB-CB 4Å; A786-V822 HydrophobicContact CB-CG1 3.91Å; I818-V822 PolarHBondContact O-N 3.32Å; I818-V822 VanDerWaalsContact O-N 3.1Å; M819-V822 PolarHBondContact O-N 3.01Å; M819-V822 VanDerWaalsContact O-N 3.08Å; I820-V822 PolarHBondContact O-N 2.97Å |
| 823 | N | 95.5 | Very high | 94.3 | Very high | 47 Ų | 47 | 36.1 Ų | 36.1 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | trans | -132.2 | 73.5 | -179.8 | -176.8 | 17.9 | 0 | 0 | 0 | 111.8 | A786 M819 I820 G825 G826 | A786-N823 HydrophobicContact CB-CB 4.03Å; A786-N823 PolarHBondContact O-ND2 2.94Å; M819-N823 PolarHBondContact O-N 3.2Å; I820-N823 CarbonylContact O-C 3.34Å; I820-N823 PolarHBondContact O-N 3.03Å; N823-G825 PolarHBondContact O-N 2.87Å; N823-G826 PolarHBondContact O-N 3.18Å; N823-G826 PolarHBondContact OD1-N 3.05Å | ||
| 824 | P | 91.7 | Very high | 94.2 | Very high | 62 Ų | 62 | 36.1 Ų | 36.1 | 40% | 0.403 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -61.5 | -33 | -179.3 | -20.6 | 29.2 | 0 | 0 | 0 | 112.5 | I820 G826 V827 V828 | I820-P824 VanDerWaalsContact O-CA 3.23Å; I820-P824 WeakPolarHBondContact O-CA 3.26Å; I820-P824 WeakPolarHBondContact O-CD 3.32Å; I820-P824 WeakPolarHBondContact O-CG 3.42Å; P824-G826 PolarHBondContact O-N 3.44Å; P824-G826 VanDerWaalsContact O-N 3.08Å; P824-V827 WeakPolarHBondContact O-CG1 3.29Å; P824-V827 PolarHBondContact O-N 2.69Å; P824-V828 WeakPolarHBondContact O-CG2 3.21Å |
| 825 | G | 90.8 | Very high | 94 | Very high | 57 Ų | 57 | 35.1 Ų | 35.1 | 59% | 0.588 | 22% | 0.215 | S | C | * | . | G | 310 helix | trans | -60 | -19.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | N823 | N823-G825 PolarHBondContact O-N 2.87Š|
| 826 | G | 90 | Very high | 93.8 | Very high | 6 Ų | 6 | 37.1 Ų | 37.1 | 6% | 0.062 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -77.4 | -17 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | P790 N823 P824 | P790-G826 WeakPolarHBondContact CA-O 3.28Å; N823-G826 PolarHBondContact O-N 3.18Å; N823-G826 PolarHBondContact OD1-N 3.05Å; P824-G826 PolarHBondContact O-N 3.44Å; P824-G826 VanDerWaalsContact O-N 3.08Å |
| 827 | V | 92.2 | Very high | 93.6 | Very high | 3 Ų | 3 | 37.1 Ų | 37.1 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108 | -11.4 | -179.6 | 67.1 | 0 | 0 | 0 | 0 | 113.5 | L789 I793 I820 P824 Q829 D830 F831 F834 | L789-V827 HydrophobicContact CD2-CB 3.75Å; I793-V827 HydrophobicContact CD1-CG2 4.36Å; I793-V827 HydrophobicContact CG1-CG2 3.85Å; I820-V827 HydrophobicContact CD1-CG1 4.32Å; I820-V827 HydrophobicContact CD1-CG2 4.42Å; I820-V827 HydrophobicContact CG1-CB 4.34Å; I820-V827 HydrophobicContact CG1-CG1 4.07Å; I820-V827 HydrophobicContact CG2-CG1 4.05Å; P824-V827 WeakPolarHBondContact O-CG1 3.29Å; P824-V827 PolarHBondContact O-N 2.69Å; V827-Q829 VanDerWaalsContact C-N 3.29Å; V827-Q829 PolarHBondContact O-N 3.35Å; V827-Q829 VanDerWaalsContact O-N 3.16Å; V827-D830 CarbonylContact O-C 3.49Å; V827-D830 PolarHBondContact O-N 3.25Å; V827-F831 HydrophobicContact CG1-CD2 4.1Å; V827-F831 HydrophobicContact CG2-CD2 4.11Å; V827-F831 WeakPolarHBondContact O-CA 3.48Å; V827-F831 PolarHBondContact O-N 2.95Å; V827-F834 HydrophobicContact CG2-CB 4.11Å |
| 828 | V | 87.8 | Confident | 93.5 | Very high | 57 Ų | 57 | 36.8 Ų | 36.8 | 35% | 0.345 | 22% | 0.224 | S | C | . | . | G | 310 helix | trans | -56.2 | -39.8 | -169.8 | 173.6 | 0 | 0 | 0 | 0 | 113.2 | P824 D830 F859 | P824-V828 WeakPolarHBondContact O-CG2 3.21Å; V828-D830 VanDerWaalsContact C-N 3.34Å; V828-F859 HydrophobicContact CB-CE2 4.44Å; V828-F859 HydrophobicContact CG1-CE2 4.17Å; V828-F859 HydrophobicContact CG2-CE2 4.37Å |
| 829 | Q | 87.5 | Confident | 93.2 | Very high | 183 Ų | 183 | 34.5 Ų | 34.5 | 86% | 0.855 | 21% | 0.213 | S | C | * | . | G | 310 helix | trans | -72 | -28.7 | -178.2 | -66.6 | -173.4 | -6.2 | 0 | 0 | 113 | V827 | V827-Q829 VanDerWaalsContact C-N 3.29Å; V827-Q829 PolarHBondContact O-N 3.35Å; V827-Q829 VanDerWaalsContact O-N 3.16Å |
| 830 | D | 92.1 | Very high | 92.9 | Very high | 33 Ų | 33 | 35 Ų | 35 | 18% | 0.176 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -116.4 | 21.6 | -173.9 | -66.1 | -72.3 | 0 | 0 | 0 | 112 | I793 V827 V828 I832 F833 | I793-D830 HydrophobicContact CG2-CB 4Å; V827-D830 CarbonylContact O-C 3.49Å; V827-D830 PolarHBondContact O-N 3.25Å; V828-D830 VanDerWaalsContact C-N 3.34Å; D830-I832 PolarHBondContact O-N 3.12Å; D830-F833 HydrophobicContact CB-CD2 3.95Å; D830-F833 WeakPolarHBondContact O-CB 3.44Å; D830-F833 PolarHBondContact O-N 2.8Å |
| 831 | F | 92.3 | Very high | 92.7 | Very high | 2 Ų | 2 | 35.4 Ų | 35.4 | 1% | 0.009 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60.3 | -24.8 | -172.4 | -166.8 | -104.6 | 0 | 0 | 0 | 113.4 | V827 F833 F834 C835 I855 L856 F859 W868 F871 | V827-F831 HydrophobicContact CG1-CD2 4.1Å; V827-F831 HydrophobicContact CG2-CD2 4.11Å; V827-F831 WeakPolarHBondContact O-CA 3.48Å; V827-F831 PolarHBondContact O-N 2.95Å; F831-F833 VanDerWaalsContact C-N 3.3Å; F831-F833 PolarHBondContact O-N 3.21Å; F831-F834 HydrophobicContact CD2-CD1 4.41Å; F831-F834 AromaticContact CE2-CD1 3.87Å; F831-F834 HydrophobicContact CE2-CD1 3.87Å; F831-F834 HydrophobicContact CE2-CE1 4.47Å; F831-F834 HydrophobicContact CZ-CD1 4.22Å; F831-F834 PolarHBondContact O-N 2.85Å; F831-C835 VanDerWaalsContact CD1-SG 3.54Å; F831-C835 WeakPolarHBondContact CE1-SG 3.47Å; F831-C835 PolarHBondContact O-N 3.36Å; F831-C835 PolarHBondContact O-SG 3.48Å; F831-I855 HydrophobicContact CE2-CG2 3.9Å; F831-I855 HydrophobicContact CZ-CG2 4.27Å; F831-L856 HydrophobicContact CE1-CD2 4.21Å; F831-L856 HydrophobicContact CZ-CD2 4.08Å; F831-F859 HydrophobicContact CB-CD2 4.36Å; F831-F859 HydrophobicContact CB-CE1 4.39Å; F831-F859 HydrophobicContact CB-CE2 3.83Å; F831-F859 HydrophobicContact CB-CZ 3.83Å; F831-F859 HydrophobicContact CD1-CB 4.31Å; F831-F859 AromaticContact CD1-CD1 3.4Å; F831-F859 HydrophobicContact CD1-CD1 3.4Å; F831-F859 AromaticContact CD1-CD2 3.9Å; F831-F859 HydrophobicContact CD1-CD2 3.9Å; F831-F859 AromaticContact CD1-CE1 3.5Å; F831-F859 HydrophobicContact CD1-CE1 3.5Å; F831-F859 AromaticContact CD1-CE2 4Å; F831-F859 HydrophobicContact CD1-CE2 4Å; F831-F859 AromaticContact CD1-CG 3.6Å; F831-F859 HydrophobicContact CD1-CG 3.6Å; F831-F859 AromaticContact CD1-CZ 3.8Å; F831-F859 HydrophobicContact CD1-CZ 3.8Å; F831-F859 HydrophobicContact CD2-CB 4.45Å; F831-F859 AromaticContact CD2-CD2 3.68Å; F831-F859 HydrophobicContact CD2-CD2 3.68Å; F831-F859 HydrophobicContact CD2-CE2 4.01Å; F831-F859 HydrophobicContact CD2-CG 4.01Å; F831-F859 HydrophobicContact CE1-CB 3.63Å; F831-F859 AromaticContact CE1-CD1 3.37Å; F831-F859 HydrophobicContact CE1-CD1 3.37Å; F831-F859 HydrophobicContact CE1-CD2 4.08Å; F831-F859 AromaticContact CE1-CE1 3.98Å; F831-F859 HydrophobicContact CE1-CE1 3.98Å; F831-F859 AromaticContact CE1-CG 3.41Å; F831-F859 HydrophobicContact CE1-CG 3.41Å; F831-F859 VanDerWaalsContact CE1-CG 3.41Å; F831-F859 HydrophobicContact CE2-CB 3.8Å; F831-F859 AromaticContact CE2-CD2 3.88Å; F831-F859 HydrophobicContact CE2-CD2 3.88Å; F831-F859 AromaticContact CE2-CG 3.85Å; F831-F859 HydrophobicContact CE2-CG 3.85Å; F831-F859 HydrophobicContact CG-CD1 4.07Å; F831-F859 AromaticContact CG-CD2 3.7Å; F831-F859 HydrophobicContact CG-CD2 3.7Å; F831-F859 HydrophobicContact CG-CE1 4.03Å; F831-F859 AromaticContact CG-CE2 3.66Å; F831-F859 HydrophobicContact CG-CE2 3.66Å; F831-F859 AromaticContact CG-CG 3.9Å; F831-F859 HydrophobicContact CG-CG 3.9Å; F831-F859 AromaticContact CG-CZ 3.82Å; F831-F859 HydrophobicContact CG-CZ 3.82Å; F831-F859 HydrophobicContact CZ-CB 3.33Å; F831-F859 HydrophobicContact CZ-CD1 4.02Å; F831-F859 HydrophobicContact CZ-CD2 4.08Å; F831-F859 AromaticContact CZ-CG 3.55Å; F831-F859 HydrophobicContact CZ-CG 3.55Å; F831-W868 HydrophobicContact CD1-CZ3 4.43Å; F831-W868 HydrophobicContact CE1-CH2 4.42Å; F831-W868 HydrophobicContact CE1-CZ3 4.01Å; F831-F871 HydrophobicContact CB-CZ 4.21Å; F831-F871 AromaticContact CD1-CE1 3.95Å; F831-F871 HydrophobicContact CD1-CE1 3.95Å; F831-F871 HydrophobicContact CD1-CZ 4.21Å |
| 832 | I | 92 | Very high | 92.4 | Very high | 48 Ų | 48 | 36.1 Ų | 36.1 | 25% | 0.246 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.9 | -36.7 | 175.5 | -172.7 | 164.7 | 0 | 0 | 0 | 111.9 | D830 C835 D836 F871 F875 | D830-I832 PolarHBondContact O-N 3.12Å; I832-C835 WeakPolarHBondContact O-CB 3.39Å; I832-C835 PolarHBondContact O-N 3.13Å; I832-D836 PolarHBondContact O-N 2.93Å; I832-F871 HydrophobicContact CB-CE2 4.33Å; I832-F871 HydrophobicContact CB-CZ 3.85Å; I832-F875 HydrophobicContact CB-CE1 4.37Å; I832-F875 HydrophobicContact CD1-CD1 3.88Å; I832-F875 HydrophobicContact CD1-CE1 4Å; I832-F875 HydrophobicContact CG1-CD1 4Å; I832-F875 HydrophobicContact CG1-CE1 3.76Å |
| 833 | F | 94 | Very high | 92 | Very high | 51 Ų | 51 | 40 Ų | 40 | 22% | 0.224 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.7 | -39.2 | 177.5 | -68.9 | -85 | 0 | 0 | 0 | 110.9 | R794 C797 D830 F831 D836 A837 | R794-F833 HydrophobicContact CG-CD1 4.06Å; R794-F833 HydrophobicContact CG-CD2 4.02Å; R794-F833 HydrophobicContact CG-CE1 3.89Å; R794-F833 HydrophobicContact CG-CE2 3.84Å; R794-F833 HydrophobicContact CG-CG 4.14Å; R794-F833 HydrophobicContact CG-CZ 3.79Å; C797-F833 HydrophobicContact CB-CB 3.7Å; C797-F833 WeakPolarHBondContact CB-O 3.5Å; D830-F833 HydrophobicContact CB-CD2 3.95Å; D830-F833 WeakPolarHBondContact O-CB 3.44Å; D830-F833 PolarHBondContact O-N 2.8Å; F831-F833 VanDerWaalsContact C-N 3.3Å; F831-F833 PolarHBondContact O-N 3.21Å; F833-D836 PolarHBondContact O-N 2.81Å; F833-A837 WeakPolarHBondContact O-CB 3.37Å; F833-A837 PolarHBondContact O-N 3.04Å |
| 834 | F | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 173.7 | 179.3 | -103 | 0 | 0 | 0 | 111.8 | I816 I820 V827 F831 D836 A837 V838 F852 I855 | I816-F834 HydrophobicContact CG2-CD2 4.42Å; I816-F834 HydrophobicContact CG2-CE2 3.81Å; I820-F834 HydrophobicContact CD1-CD2 3.86Å; I820-F834 HydrophobicContact CD1-CE1 4.49Å; I820-F834 HydrophobicContact CD1-CE2 3.72Å; I820-F834 HydrophobicContact CD1-CG 4.31Å; I820-F834 HydrophobicContact CD1-CZ 4.05Å; V827-F834 HydrophobicContact CG2-CB 4.11Å; F831-F834 HydrophobicContact CD2-CD1 4.41Å; F831-F834 AromaticContact CE2-CD1 3.87Å; F831-F834 HydrophobicContact CE2-CD1 3.87Å; F831-F834 HydrophobicContact CE2-CE1 4.47Å; F831-F834 HydrophobicContact CZ-CD1 4.22Å; F831-F834 PolarHBondContact O-N 2.85Å; F834-D836 VanDerWaalsContact C-N 3.34Å; F834-D836 PolarHBondContact O-N 3.21Å; F834-A837 PolarHBondContact O-N 3.49Å; F834-V838 HydrophobicContact CD1-CG2 4.22Å; F834-V838 HydrophobicContact CD2-CG2 4.33Å; F834-V838 HydrophobicContact CE1-CG2 3.72Å; F834-V838 HydrophobicContact CE2-CG2 3.84Å; F834-V838 HydrophobicContact CZ-CG2 3.52Å; F834-V838 WeakPolarHBondContact O-CB 3.35Å; F834-V838 WeakPolarHBondContact O-CG2 3.3Å; F834-V838 PolarHBondContact O-N 3.4Å; F834-F852 HydrophobicContact CZ-CD1 4.32Å; F834-I855 HydrophobicContact CD1-CG2 4.19Å; F834-I855 HydrophobicContact CE1-CB 4.16Å; F834-I855 HydrophobicContact CE1-CG2 3.49Å; F834-I855 VanDerWaalsContact CE1-CG2 3.49Å; F834-I855 HydrophobicContact CZ-CB 4.47Å; F834-I855 HydrophobicContact CZ-CD1 4.05Å; F834-I855 HydrophobicContact CZ-CG2 4.05Å |
| 835 | C | 94.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.5 | -45.7 | 175.6 | -68.2 | 0 | 0 | 0 | 0 | 111.9 | F831 I832 V838 A839 F875 L883 | F831-C835 VanDerWaalsContact CD1-SG 3.54Å; F831-C835 WeakPolarHBondContact CE1-SG 3.47Å; F831-C835 PolarHBondContact O-N 3.36Å; F831-C835 PolarHBondContact O-SG 3.48Å; I832-C835 WeakPolarHBondContact O-CB 3.39Å; I832-C835 PolarHBondContact O-N 3.13Å; C835-V838 PolarHBondContact O-N 3.15Å; C835-A839 WeakPolarHBondContact O-CB 3.44Å; C835-A839 PolarHBondContact O-N 3.29Å; C835-F875 HydrophobicContact CB-CE2 4.48Å; C835-F875 HydrophobicContact CB-CZ 4.05Å; C835-L883 HydrophobicContact CB-CD1 3.87Å |
| 836 | D | 92.7 | Very high | 92.1 | Very high | 42 Ų | 42 | 43.3 Ų | 43.3 | 23% | 0.225 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -46.2 | 177.4 | -171.2 | 45.6 | 0 | 0 | 0 | 112 | R801 I832 F833 F834 V838 A839 S840 L879 | R801-D836 WeakPolarHBondContact CD-OD2 3.36Å; R801-D836 IonicContact CZ-OD2 2.79Å; R801-D836 IonicContact NE-OD2 2.82Å; R801-D836 IonicContact NH1-OD1 2.92Å; R801-D836 IonicContact NH1-OD2 3.64Å; R801-D836 PolarHBondContact NH1-OD2 3.17Å; I832-D836 PolarHBondContact O-N 2.93Å; F833-D836 PolarHBondContact O-N 2.81Å; F834-D836 VanDerWaalsContact C-N 3.34Å; F834-D836 PolarHBondContact O-N 3.21Å; D836-V838 VanDerWaalsContact C-N 3.35Å; D836-V838 PolarHBondContact O-N 3.2Å; D836-A839 PolarHBondContact O-N 3.39Å; D836-A839 VanDerWaalsContact O-N 3.14Å; D836-S840 PolarHBondContact O-N 3.33Å; D836-L879 HydrophobicContact CB-CD1 4.48Å; D836-L879 HydrophobicContact CB-CD2 4.14Å |
| 837 | A | 94.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.4 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C797 F813 F833 F834 S840 | C797-A837 HydrophobicContact CB-CB 3.91Å; F813-A837 HydrophobicContact CE1-CB 3.97Å; F813-A837 HydrophobicContact CZ-CB 3.89Å; F833-A837 WeakPolarHBondContact O-CB 3.37Å; F833-A837 PolarHBondContact O-N 3.04Å; F834-A837 PolarHBondContact O-N 3.49Å; A837-S840 WeakPolarHBondContact O-CB 3.33Å; A837-S840 PolarHBondContact O-N 3.39Å; A837-S840 PolarHBondContact O-OG 3.36Å |
| 838 | V | 95.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.6 | -40.2 | 174.1 | 167.8 | 0 | 0 | 0 | 0 | 111.5 | F834 C835 D836 S840 W841 F852 L856 L883 Y887 | F834-V838 HydrophobicContact CD1-CG2 4.22Å; F834-V838 HydrophobicContact CD2-CG2 4.33Å; F834-V838 HydrophobicContact CE1-CG2 3.72Å; F834-V838 HydrophobicContact CE2-CG2 3.84Å; F834-V838 HydrophobicContact CZ-CG2 3.52Å; F834-V838 WeakPolarHBondContact O-CB 3.35Å; F834-V838 WeakPolarHBondContact O-CG2 3.3Å; F834-V838 PolarHBondContact O-N 3.4Å; C835-V838 PolarHBondContact O-N 3.15Å; D836-V838 VanDerWaalsContact C-N 3.35Å; D836-V838 PolarHBondContact O-N 3.2Å; V838-S840 PolarHBondContact O-N 3.05Å; V838-W841 WeakPolarHBondContact O-CB 3.42Å; V838-W841 PolarHBondContact O-N 3.15Å; V838-F852 HydrophobicContact CG1-CB 3.94Å; V838-F852 HydrophobicContact CG1-CD1 4.34Å; V838-F852 HydrophobicContact CG1-CD2 3.76Å; V838-F852 HydrophobicContact CG1-CE2 4.29Å; V838-F852 HydrophobicContact CG1-CG 3.77Å; V838-F852 HydrophobicContact CG2-CD1 3.7Å; V838-F852 HydrophobicContact CG2-CD2 4.45Å; V838-F852 HydrophobicContact CG2-CE1 3.9Å; V838-F852 HydrophobicContact CG2-CG 4Å; V838-F852 HydrophobicContact CG2-CZ 4.33Å; V838-L856 HydrophobicContact CG1-CD1 4.31Å; V838-L883 HydrophobicContact CG1-CD2 4.45Å; V838-Y887 HydrophobicContact CG1-CD2 4.34Å; V838-Y887 HydrophobicContact CG1-CE1 4.43Å; V838-Y887 HydrophobicContact CG1-CE2 3.58Å |
| 839 | A | 92.4 | Very high | 92.8 | Very high | 8 Ų | 8 | 49 Ų | 49 | 7% | 0.066 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.3 | -14 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | C835 D836 W841 L879 R882 L883 | C835-A839 WeakPolarHBondContact O-CB 3.44Å; C835-A839 PolarHBondContact O-N 3.29Å; D836-A839 PolarHBondContact O-N 3.39Å; D836-A839 VanDerWaalsContact O-N 3.14Å; A839-W841 PolarHBondContact O-N 3Å; A839-L879 HydrophobicContact CB-CD1 3.17Å; A839-R882 HydrophobicContact CB-CB 4.32Å; A839-R882 WeakPolarHBondContact O-CD 3.39Å; A839-R882 PolarHBondContact O-NH1 3.42Å; A839-L883 HydrophobicContact CB-CD2 4.07Å; A839-L883 HydrophobicContact CB-CG 4.23Å |
| 840 | S | 92.3 | Very high | 93.2 | Very high | 11 Ų | 11 | 44.8 Ų | 44.8 | 8% | 0.077 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -27 | 170.8 | 76.2 | 0 | 0 | 0 | 0 | 112.6 | R801 K809 D836 A837 V838 V842 | R801-S840 WeakPolarHBondContact O-CB 3.35Å; K809-S840 PolarHBondContact NZ-OG 3.02Å; D836-S840 PolarHBondContact O-N 3.33Å; A837-S840 WeakPolarHBondContact O-CB 3.33Å; A837-S840 PolarHBondContact O-N 3.39Å; A837-S840 PolarHBondContact O-OG 3.36Å; V838-S840 PolarHBondContact O-N 3.05Å; S840-V842 PolarHBondContact O-N 2.93Å |
| 841 | W | 92.7 | Very high | 93.4 | Very high | 16 Ų | 16 | 45.8 Ų | 45.8 | 6% | 0.061 | 23% | 0.233 | C | C | . | . | trans | -66.4 | 129.1 | -179.9 | -76.1 | 84.5 | 0 | 0 | 0 | 111.6 | D805 K809 D810 F813 V838 A839 P844 L848 F852 | D805-W841 HydrophobicContact CB-CE3 3.96Å; D805-W841 HydrophobicContact CB-CZ3 3.84Å; D805-W841 VanDerWaalsContact OD1-CE3 3.26Å; K809-W841 HydrophobicContact CB-CH2 4.09Å; K809-W841 HydrophobicContact CB-CZ2 4.03Å; K809-W841 HydrophobicContact CD-CH2 4.18Å; K809-W841 HydrophobicContact CD-CZ2 3.83Å; K809-W841 HydrophobicContact CG-CH2 4.05Å; K809-W841 HydrophobicContact CG-CZ2 3.55Å; D810-W841 HydrophobicContact CB-CH2 3.89Å; F813-W841 HydrophobicContact CB-CZ2 4.14Å; F813-W841 AromaticContact CD1-NE1 3.53Å; F813-W841 AromaticContact CD2-CZ2 3.81Å; F813-W841 HydrophobicContact CD2-CZ2 3.81Å; F813-W841 AromaticContact CD2-NE1 3.58Å; F813-W841 AromaticContact CE1-NE1 3.48Å; F813-W841 HydrophobicContact CE2-CZ2 4.36Å; F813-W841 AromaticContact CE2-NE1 3.53Å; F813-W841 HydrophobicContact CG-CZ2 4.02Å; F813-W841 AromaticContact CG-NE1 3.55Å; F813-W841 AromaticContact CZ-NE1 3.47Å; V838-W841 WeakPolarHBondContact O-CB 3.42Å; V838-W841 PolarHBondContact O-N 3.15Å; A839-W841 PolarHBondContact O-N 3Å; W841-P844 HydrophobicContact CB-CB 4.29Å; W841-P844 HydrophobicContact CB-CG 4.17Å; W841-P844 HydrophobicContact CD2-CB 4.07Å; W841-P844 HydrophobicContact CE3-CB 3.71Å; W841-P844 HydrophobicContact CG-CB 4.35Å; W841-P844 HydrophobicContact CZ3-CB 4.39Å; W841-L848 HydrophobicContact CH2-CD2 3.92Å; W841-L848 HydrophobicContact CZ2-CD2 3.77Å; W841-L848 HydrophobicContact CZ3-CD2 4.41Å; W841-F852 AromaticContact CD1-CE2 3.85Å; W841-F852 AromaticContact CD1-CZ 3.91Å; W841-F852 HydrophobicContact CD2-CE2 4.4Å; W841-F852 HydrophobicContact CG-CE2 4.06Å; W841-F852 HydrophobicContact CG-CZ 4.46Å; W841-F852 AromaticContact NE1-CZ 3.69Å | ||
| 842 | V | 88.6 | Confident | 93.7 | Very high | 77 Ų | 77 | 45.7 Ų | 45.7 | 47% | 0.467 | 23% | 0.233 | S | C | . | . | S | Bend | trans | -90.2 | -50.1 | 174.8 | -176.8 | 0 | 0 | 0 | 0 | 109.7 | E348 D805 S840 | E348-V842 WeakPolarHBondContact OE1-CG2 3.49Å; D805-V842 PolarHBondContact OD2-N 2.99Å; S840-V842 PolarHBondContact O-N 2.93Å |
| 843 | N | 87.8 | Confident | 93.8 | Very high | 136 Ų | 136 | 48.8 Ų | 48.8 | 73% | 0.727 | 24% | 0.242 | S | C | * | . | S | Bend | trans | -137.5 | 68 | -175.2 | -68.1 | -49.7 | 0 | 0 | 0 | 112.2 | D805 | D805-N843 PolarHBondContact OD2-N 2.91Š|
| 844 | P | 92.1 | Very high | 93.9 | Very high | 23 Ų | 23 | 53.2 Ų | 53.2 | 15% | 0.149 | 26% | 0.262 | C | S | . | . | trans | -67.9 | 146.1 | 177.2 | 29.3 | -32.4 | 0 | 0 | 0 | 111.2 | W841 R849 F852 | W841-P844 HydrophobicContact CB-CB 4.29Å; W841-P844 HydrophobicContact CB-CG 4.17Å; W841-P844 HydrophobicContact CD2-CB 4.07Å; W841-P844 HydrophobicContact CE3-CB 3.71Å; W841-P844 HydrophobicContact CG-CB 4.35Å; W841-P844 HydrophobicContact CZ3-CB 4.39Å; P844-R849 HydrophobicContact CG-CB 4.28Å; P844-R849 HydrophobicContact CG-CG 4.47Å; P844-F852 HydrophobicContact CB-CE2 4.15Å | ||
| 845 | K | 93.3 | Very high | 93.9 | Very high | 87 Ų | 87 | 54.4 Ų | 54.4 | 38% | 0.378 | 27% | 0.268 | S | S | . | . | trans | -57.3 | 145 | 171.8 | -66.6 | 174.7 | -175.8 | 165.1 | 0 | 110.1 | E807 D810 D847 L848 R849 | E807-K845 IonicContact OE1-NZ 3.76Å; E807-K845 PolarHBondContact OE1-NZ 3.44Å; E807-K845 IonicContact OE2-NZ 2.84Å; E807-K845 PolarHBondContact OE2-NZ 3.39Å; D810-K845 IonicContact OD2-NZ 2.99Å; K845-D847 WeakPolarHBondContact CB-OD1 3.42Å; K845-D847 PolarHBondContact O-N 3.23Å; K845-D847 VanDerWaalsContact O-N 3.15Å; K845-L848 PolarHBondContact O-N 3.03Å; K845-R849 PolarHBondContact O-N 2.92Å | ||
| 846 | D | 93.6 | Very high | 94 | Very high | 126 Ų | 126 | 54.4 Ų | 54.4 | 67% | 0.674 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -54.7 | -38.8 | -172.7 | -73.5 | -31.1 | 0 | 0 | 0 | 113.2 | R849 D850 | D846-R849 WeakPolarHBondContact O-CB 3.38Å; D846-R849 PolarHBondContact O-N 3.24Å; D846-D850 PolarHBondContact O-N 3.08Å |
| 847 | D | 94.5 | Very high | 94.1 | Very high | 80 Ų | 80 | 54.2 Ų | 54.2 | 43% | 0.428 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -71 | -35.4 | -179.8 | 64.8 | -25.9 | 0 | 0 | 0 | 113.1 | R814 K845 M851 | R814-D847 IonicContact CZ-OD1 2.68Å; R814-D847 IonicContact CZ-OD2 3.81Å; R814-D847 IonicContact NH1-OD1 3.93Å; R814-D847 IonicContact NH1-OD2 3.76Å; R814-D847 PolarHBondContact NH1-OD2 2.83Å; R814-D847 VanDerWaalsContact NH2-CG 3.33Å; R814-D847 IonicContact NH2-OD1 2.65Å; R814-D847 PolarHBondContact NH2-OD1 3.02Å; R814-D847 IonicContact NH2-OD2 2.83Å; R814-D847 PolarHBondContact NH2-OD2 3.03Å; K845-D847 WeakPolarHBondContact CB-OD1 3.42Å; K845-D847 PolarHBondContact O-N 3.23Å; K845-D847 VanDerWaalsContact O-N 3.15Å; D847-M851 WeakPolarHBondContact O-CG 3.23Å; D847-M851 PolarHBondContact O-N 3.05Å |
| 848 | L | 96.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -70.2 | -40.9 | 171 | -179.5 | 59.3 | 0 | 0 | 0 | 111 | D810 F813 R814 W841 K845 D850 M851 F852 | D810-L848 WeakPolarHBondContact OD1-CD2 3.49Å; F813-L848 HydrophobicContact CB-CD1 4.2Å; F813-L848 HydrophobicContact CB-CD2 4.22Å; R814-L848 HydrophobicContact CG-CD1 4.01Å; W841-L848 HydrophobicContact CH2-CD2 3.92Å; W841-L848 HydrophobicContact CZ2-CD2 3.77Å; W841-L848 HydrophobicContact CZ3-CD2 4.41Å; K845-L848 PolarHBondContact O-N 3.03Å; L848-D850 VanDerWaalsContact C-N 3.26Å; L848-D850 PolarHBondContact O-N 3.44Å; L848-M851 HydrophobicContact CD1-SD 4.46Å; L848-M851 WeakPolarHBondContact O-CA 3.5Å; L848-M851 WeakPolarHBondContact O-CB 3.39Å; L848-M851 PolarHBondContact O-N 2.91Å; L848-F852 HydrophobicContact CD1-CD1 4.36Å; L848-F852 HydrophobicContact CD1-CE1 3.68Å; L848-F852 HydrophobicContact CD1-CE2 4.37Å; L848-F852 HydrophobicContact CD1-CZ 3.71Å; L848-F852 HydrophobicContact CD2-CE2 4.11Å; L848-F852 HydrophobicContact CD2-CZ 3.77Å; L848-F852 HydrophobicContact CG-CD2 4.43Å; L848-F852 HydrophobicContact CG-CE1 4.02Å; L848-F852 HydrophobicContact CG-CE2 3.78Å; L848-F852 HydrophobicContact CG-CZ 3.54Å; L848-F852 WeakPolarHBondContact O-CG 3.3Å; L848-F852 PolarHBondContact O-N 3.11Å |
| 849 | R | 94.6 | Very high | 93.7 | Very high | 107 Ų | 107 | 56.6 Ų | 56.6 | 40% | 0.404 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.3 | -40.8 | 174.4 | -170.1 | -173.2 | 177.9 | 170.4 | 0.9 | 111.6 | P844 K845 D846 M851 F852 Y853 C886 Y887 | P844-R849 HydrophobicContact CG-CB 4.28Å; P844-R849 HydrophobicContact CG-CG 4.47Å; K845-R849 PolarHBondContact O-N 2.92Å; D846-R849 WeakPolarHBondContact O-CB 3.38Å; D846-R849 PolarHBondContact O-N 3.24Å; R849-M851 VanDerWaalsContact C-N 3.33Å; R849-M851 PolarHBondContact O-N 3.43Å; R849-F852 PolarHBondContact O-N 3.04Å; R849-Y853 WeakPolarHBondContact O-CB 3.47Å; R849-Y853 PolarHBondContact O-N 3.33Å; R849-C886 PolarHBondContact NE-O 2.86Å; R849-C886 PolarHBondContact NH2-O 3.27Å; R849-Y887 HydrophobicContact CG-CD1 4.37Å; R849-Y887 HydrophobicContact CG-CE1 3.73Å |
| 850 | D | 95.6 | Very high | 93.7 | Very high | 94 Ų | 94 | 57.7 Ų | 57.7 | 50% | 0.503 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.3 | -34.8 | 174.6 | -83.4 | -6.2 | 0 | 0 | 0 | 112.8 | D846 L848 K854 | D846-D850 PolarHBondContact O-N 3.08Å; L848-D850 VanDerWaalsContact C-N 3.26Å; L848-D850 PolarHBondContact O-N 3.44Å; D850-K854 VanDerWaalsContact O-CG 3.3Å; D850-K854 WeakPolarHBondContact O-CG 3.01Å; D850-K854 PolarHBondContact O-N 3.48Å; D850-K854 VanDerWaalsContact O-N 3.09Å |
| 851 | M | 97.4 | Very high | 93.6 | Very high | 54 Ų | 54 | 64.9 Ų | 64.9 | 27% | 0.266 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.7 | -46.3 | 173.4 | -66.6 | -175.1 | 179.6 | 0 | 0 | 111.2 | C817 D847 L848 R849 Y853 K854 I855 | C817-M851 HydrophobicContact CB-CB 3.97Å; C817-M851 HydrophobicContact CB-CG 4.47Å; C817-M851 HydrophobicContact CB-SD 3.87Å; D847-M851 WeakPolarHBondContact O-CG 3.23Å; D847-M851 PolarHBondContact O-N 3.05Å; L848-M851 HydrophobicContact CD1-SD 4.46Å; L848-M851 WeakPolarHBondContact O-CA 3.5Å; L848-M851 WeakPolarHBondContact O-CB 3.39Å; L848-M851 PolarHBondContact O-N 2.91Å; R849-M851 VanDerWaalsContact C-N 3.33Å; R849-M851 PolarHBondContact O-N 3.43Å; M851-Y853 VanDerWaalsContact C-N 3.34Å; M851-Y853 PolarHBondContact O-N 3.48Å; M851-K854 PolarHBondContact O-N 3.08Å; M851-I855 WeakPolarHBondContact O-CG1 3.2Å; M851-I855 PolarHBondContact O-N 3.22Å; M851-I855 VanDerWaalsContact O-N 3.1Å |
| 852 | F | 97.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.7 | -47.7 | 175.3 | -62.5 | -25.1 | 0 | 0 | 0 | 111.5 | F813 F834 V838 W841 P844 L848 R849 K854 I855 L856 Y887 | F813-F852 HydrophobicContact CB-CE1 4.2Å; F813-F852 HydrophobicContact CB-CZ 4.08Å; F813-F852 AromaticContact CD1-CE1 3.68Å; F813-F852 HydrophobicContact CD1-CE1 3.68Å; F813-F852 AromaticContact CD1-CZ 3.63Å; F813-F852 HydrophobicContact CD1-CZ 3.63Å; F813-F852 HydrophobicContact CE1-CZ 4.38Å; F813-F852 HydrophobicContact CG-CE1 4.38Å; F813-F852 HydrophobicContact CG-CZ 4.14Å; F834-F852 HydrophobicContact CZ-CD1 4.32Å; V838-F852 HydrophobicContact CG1-CB 3.94Å; V838-F852 HydrophobicContact CG1-CD1 4.34Å; V838-F852 HydrophobicContact CG1-CD2 3.76Å; V838-F852 HydrophobicContact CG1-CE2 4.29Å; V838-F852 HydrophobicContact CG1-CG 3.77Å; V838-F852 HydrophobicContact CG2-CD1 3.7Å; V838-F852 HydrophobicContact CG2-CD2 4.45Å; V838-F852 HydrophobicContact CG2-CE1 3.9Å; V838-F852 HydrophobicContact CG2-CG 4Å; V838-F852 HydrophobicContact CG2-CZ 4.33Å; W841-F852 AromaticContact CD1-CE2 3.85Å; W841-F852 AromaticContact CD1-CZ 3.91Å; W841-F852 HydrophobicContact CD2-CE2 4.4Å; W841-F852 HydrophobicContact CG-CE2 4.06Å; W841-F852 HydrophobicContact CG-CZ 4.46Å; W841-F852 AromaticContact NE1-CZ 3.69Å; P844-F852 HydrophobicContact CB-CE2 4.15Å; L848-F852 HydrophobicContact CD1-CD1 4.36Å; L848-F852 HydrophobicContact CD1-CE1 3.68Å; L848-F852 HydrophobicContact CD1-CE2 4.37Å; L848-F852 HydrophobicContact CD1-CZ 3.71Å; L848-F852 HydrophobicContact CD2-CE2 4.11Å; L848-F852 HydrophobicContact CD2-CZ 3.77Å; L848-F852 HydrophobicContact CG-CD2 4.43Å; L848-F852 HydrophobicContact CG-CE1 4.02Å; L848-F852 HydrophobicContact CG-CE2 3.78Å; L848-F852 HydrophobicContact CG-CZ 3.54Å; L848-F852 WeakPolarHBondContact O-CG 3.3Å; L848-F852 PolarHBondContact O-N 3.11Å; R849-F852 PolarHBondContact O-N 3.04Å; F852-K854 VanDerWaalsContact C-N 3.34Å; F852-K854 PolarHBondContact O-N 3.1Å; F852-I855 PolarHBondContact O-N 3.23Å; F852-L856 WeakPolarHBondContact O-CB 3.49Å; F852-L856 VanDerWaalsContact O-CG 3.31Å; F852-L856 WeakPolarHBondContact O-CG 3.47Å; F852-L856 PolarHBondContact O-N 2.93Å; F852-Y887 HydrophobicContact CB-CD1 4.18Å; F852-Y887 HydrophobicContact CB-CE1 3.67Å; F852-Y887 HydrophobicContact CD2-CE1 4.03Å; F852-Y887 AromaticContact CD2-CZ 3.98Å; F852-Y887 WeakPolarHBondContact CD2-OH 3.4Å; F852-Y887 HydrophobicContact CG-CE1 4.37Å |
| 853 | Y | 95.8 | Very high | 93.3 | Very high | 112 Ų | 112 | 68.7 Ų | 68.7 | 44% | 0.439 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -54.4 | -49.5 | 176.8 | -179.6 | -85 | 0 | 0 | 0 | 111.7 | R849 M851 I855 L856 H857 | R849-Y853 WeakPolarHBondContact O-CB 3.47Å; R849-Y853 PolarHBondContact O-N 3.33Å; M851-Y853 VanDerWaalsContact C-N 3.34Å; M851-Y853 PolarHBondContact O-N 3.48Å; Y853-I855 PolarHBondContact O-N 2.94Å; Y853-L856 PolarHBondContact O-N 3.29Å; Y853-H857 AromaticContact CD1-CD2 3.88Å; Y853-H857 AromaticContact CD2-CD2 3.53Å; Y853-H857 AromaticContact CD2-NE2 3.65Å; Y853-H857 AromaticContact CE1-CD2 3.62Å; Y853-H857 AromaticContact CE2-CD2 3.29Å; Y853-H857 WeakPolarHBondContact CE2-CD2 3.35Å; Y853-H857 AromaticContact CE2-NE2 3.09Å; Y853-H857 WeakPolarHBondContact CE2-NE2 3.27Å; Y853-H857 AromaticContact CG-CD2 3.82Å; Y853-H857 AromaticContact CZ-CD2 3.31Å; Y853-H857 AromaticContact CZ-CE1 3.99Å; Y853-H857 AromaticContact CZ-CG 3.93Å; Y853-H857 AromaticContact CZ-NE2 3.37Å; Y853-H857 WeakPolarHBondContact O-CB 3.33Å; Y853-H857 PolarHBondContact O-CD2 2.9Å; Y853-H857 VanDerWaalsContact O-CD2 3.31Å; Y853-H857 PolarHBondContact O-N 3.02Å |
| 854 | K | 95.5 | Very high | 93.3 | Very high | 145 Ų | 145 | 63.6 Ų | 63.6 | 63% | 0.63 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.6 | -40.9 | -179.1 | -74.3 | 167.7 | -174.5 | 163.9 | 0 | 112.7 | D850 M851 F852 G858 | D850-K854 VanDerWaalsContact O-CG 3.3Å; D850-K854 WeakPolarHBondContact O-CG 3.01Å; D850-K854 PolarHBondContact O-N 3.48Å; D850-K854 VanDerWaalsContact O-N 3.09Å; M851-K854 PolarHBondContact O-N 3.08Å; F852-K854 VanDerWaalsContact C-N 3.34Å; F852-K854 PolarHBondContact O-N 3.1Å; K854-G858 WeakPolarHBondContact O-CA 3.4Å; K854-G858 PolarHBondContact O-N 3.14Å |
| 855 | I | 95.9 | Very high | 93.1 | Very high | 25 Ų | 25 | 68.4 Ų | 68.4 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -70.7 | -46.3 | -179.4 | -66.7 | 169 | 0 | 0 | 0 | 110.7 | C817 I820 F831 F834 M851 F852 Y853 G858 F859 | C817-I855 HydrophobicContact CB-CD1 3.73Å; I820-I855 HydrophobicContact CB-CD1 4.23Å; I820-I855 HydrophobicContact CD1-CD1 4.28Å; I820-I855 HydrophobicContact CG2-CD1 4.15Å; I820-I855 HydrophobicContact CG2-CG1 4.24Å; I820-I855 HydrophobicContact CG2-CG2 4Å; F831-I855 HydrophobicContact CE2-CG2 3.9Å; F831-I855 HydrophobicContact CZ-CG2 4.27Å; F834-I855 HydrophobicContact CD1-CG2 4.19Å; F834-I855 HydrophobicContact CE1-CB 4.16Å; F834-I855 HydrophobicContact CE1-CG2 3.49Å; F834-I855 VanDerWaalsContact CE1-CG2 3.49Å; F834-I855 HydrophobicContact CZ-CB 4.47Å; F834-I855 HydrophobicContact CZ-CD1 4.05Å; F834-I855 HydrophobicContact CZ-CG2 4.05Å; M851-I855 WeakPolarHBondContact O-CG1 3.2Å; M851-I855 PolarHBondContact O-N 3.22Å; M851-I855 VanDerWaalsContact O-N 3.1Å; F852-I855 PolarHBondContact O-N 3.23Å; Y853-I855 PolarHBondContact O-N 2.94Å; I855-G858 PolarHBondContact O-N 2.94Å; I855-F859 PolarHBondContact O-N 3.46Å |
| 856 | L | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 71.7 Ų | 71.7 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -61.8 | -49.3 | 179.6 | -70.8 | 170.5 | 0 | 0 | 0 | 111.8 | F831 V838 F852 Y853 F859 K860 L883 Y887 V889 | F831-L856 HydrophobicContact CE1-CD2 4.21Å; F831-L856 HydrophobicContact CZ-CD2 4.08Å; V838-L856 HydrophobicContact CG1-CD1 4.31Å; F852-L856 WeakPolarHBondContact O-CB 3.49Å; F852-L856 VanDerWaalsContact O-CG 3.31Å; F852-L856 WeakPolarHBondContact O-CG 3.47Å; F852-L856 PolarHBondContact O-N 2.93Å; Y853-L856 PolarHBondContact O-N 3.29Å; L856-F859 PolarHBondContact O-N 3.1Å; L856-K860 WeakPolarHBondContact O-CB 3.2Å; L856-K860 PolarHBondContact O-N 3.3Å; L856-L883 HydrophobicContact CD1-CD2 4.19Å; L856-Y887 HydrophobicContact CD1-CD1 4.24Å; L856-Y887 HydrophobicContact CD1-CD2 3.8Å; L856-Y887 HydrophobicContact CD1-CG 3.66Å; L856-V889 HydrophobicContact CB-CG1 4.09Å; L856-V889 HydrophobicContact CB-CG2 4.12Å; L856-V889 HydrophobicContact CD1-CG2 4.13Å; L856-V889 HydrophobicContact CG-CG2 4.5Å |
| 857 | H | 94.3 | Very high | 92.6 | Very high | 38 Ų | 38 | 70 Ų | 70 | 18% | 0.176 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -67.4 | -38.5 | 176.8 | -80.1 | -85.4 | 0 | 0 | 0 | 112.1 | Y853 F859 K860 E861 Y887 V889 | Y853-H857 AromaticContact CD1-CD2 3.88Å; Y853-H857 AromaticContact CD2-CD2 3.53Å; Y853-H857 AromaticContact CD2-NE2 3.65Å; Y853-H857 AromaticContact CE1-CD2 3.62Å; Y853-H857 AromaticContact CE2-CD2 3.29Å; Y853-H857 WeakPolarHBondContact CE2-CD2 3.35Å; Y853-H857 AromaticContact CE2-NE2 3.09Å; Y853-H857 WeakPolarHBondContact CE2-NE2 3.27Å; Y853-H857 AromaticContact CG-CD2 3.82Å; Y853-H857 AromaticContact CZ-CD2 3.31Å; Y853-H857 AromaticContact CZ-CE1 3.99Å; Y853-H857 AromaticContact CZ-CG 3.93Å; Y853-H857 AromaticContact CZ-NE2 3.37Å; Y853-H857 WeakPolarHBondContact O-CB 3.33Å; Y853-H857 PolarHBondContact O-CD2 2.9Å; Y853-H857 VanDerWaalsContact O-CD2 3.31Å; Y853-H857 PolarHBondContact O-N 3.02Å; H857-F859 VanDerWaalsContact C-N 3.35Å; H857-F859 PolarHBondContact O-N 3.5Å; H857-K860 PolarHBondContact O-N 2.95Å; H857-E861 WeakPolarHBondContact O-CB 3.27Å; H857-E861 WeakPolarHBondContact O-CG 3.28Å; H857-E861 PolarHBondContact O-N 3.34Å; H857-Y887 PolarHBondContact NE2-O 2.68Å; H857-V889 VanDerWaalsContact NE2-CG1 3.34Å; H857-V889 WeakPolarHBondContact NE2-CG1 3.29Å |
| 858 | G | 92.4 | Very high | 92.3 | Very high | 32 Ų | 32 | 66.5 Ų | 66.5 | 33% | 0.33 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K854 I855 Q862 | K854-G858 WeakPolarHBondContact O-CA 3.4Å; K854-G858 PolarHBondContact O-N 3.14Å; I855-G858 PolarHBondContact O-N 2.94Å; G858-Q862 WeakPolarHBondContact O-CB 3.45Å; G858-Q862 PolarHBondContact O-N 3.38Å |
| 859 | F | 91 | Very high | 91.9 | Very high | 17 Ų | 17 | 72.1 Ų | 72.1 | 8% | 0.075 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66 | -44.9 | 174.8 | -173.8 | -91.8 | 0 | 0 | 0 | 111.7 | V828 F831 I855 L856 H857 E861 Q862 V863 W868 F871 | V828-F859 HydrophobicContact CB-CE2 4.44Å; V828-F859 HydrophobicContact CG1-CE2 4.17Å; V828-F859 HydrophobicContact CG2-CE2 4.37Å; F831-F859 HydrophobicContact CB-CD2 4.36Å; F831-F859 HydrophobicContact CB-CE1 4.39Å; F831-F859 HydrophobicContact CB-CE2 3.83Å; F831-F859 HydrophobicContact CB-CZ 3.83Å; F831-F859 HydrophobicContact CD1-CB 4.31Å; F831-F859 AromaticContact CD1-CD1 3.4Å; F831-F859 HydrophobicContact CD1-CD1 3.4Å; F831-F859 AromaticContact CD1-CD2 3.9Å; F831-F859 HydrophobicContact CD1-CD2 3.9Å; F831-F859 AromaticContact CD1-CE1 3.5Å; F831-F859 HydrophobicContact CD1-CE1 3.5Å; F831-F859 AromaticContact CD1-CE2 4Å; F831-F859 HydrophobicContact CD1-CE2 4Å; F831-F859 AromaticContact CD1-CG 3.6Å; F831-F859 HydrophobicContact CD1-CG 3.6Å; F831-F859 AromaticContact CD1-CZ 3.8Å; F831-F859 HydrophobicContact CD1-CZ 3.8Å; F831-F859 HydrophobicContact CD2-CB 4.45Å; F831-F859 AromaticContact CD2-CD2 3.68Å; F831-F859 HydrophobicContact CD2-CD2 3.68Å; F831-F859 HydrophobicContact CD2-CE2 4.01Å; F831-F859 HydrophobicContact CD2-CG 4.01Å; F831-F859 HydrophobicContact CE1-CB 3.63Å; F831-F859 AromaticContact CE1-CD1 3.37Å; F831-F859 HydrophobicContact CE1-CD1 3.37Å; F831-F859 HydrophobicContact CE1-CD2 4.08Å; F831-F859 AromaticContact CE1-CE1 3.98Å; F831-F859 HydrophobicContact CE1-CE1 3.98Å; F831-F859 AromaticContact CE1-CG 3.41Å; F831-F859 HydrophobicContact CE1-CG 3.41Å; F831-F859 VanDerWaalsContact CE1-CG 3.41Å; F831-F859 HydrophobicContact CE2-CB 3.8Å; F831-F859 AromaticContact CE2-CD2 3.88Å; F831-F859 HydrophobicContact CE2-CD2 3.88Å; F831-F859 AromaticContact CE2-CG 3.85Å; F831-F859 HydrophobicContact CE2-CG 3.85Å; F831-F859 HydrophobicContact CG-CD1 4.07Å; F831-F859 AromaticContact CG-CD2 3.7Å; F831-F859 HydrophobicContact CG-CD2 3.7Å; F831-F859 HydrophobicContact CG-CE1 4.03Å; F831-F859 AromaticContact CG-CE2 3.66Å; F831-F859 HydrophobicContact CG-CE2 3.66Å; F831-F859 AromaticContact CG-CG 3.9Å; F831-F859 HydrophobicContact CG-CG 3.9Å; F831-F859 AromaticContact CG-CZ 3.82Å; F831-F859 HydrophobicContact CG-CZ 3.82Å; F831-F859 HydrophobicContact CZ-CB 3.33Å; F831-F859 HydrophobicContact CZ-CD1 4.02Å; F831-F859 HydrophobicContact CZ-CD2 4.08Å; F831-F859 AromaticContact CZ-CG 3.55Å; F831-F859 HydrophobicContact CZ-CG 3.55Å; I855-F859 PolarHBondContact O-N 3.46Å; L856-F859 PolarHBondContact O-N 3.1Å; H857-F859 VanDerWaalsContact C-N 3.35Å; H857-F859 PolarHBondContact O-N 3.5Å; F859-E861 VanDerWaalsContact C-N 3.34Å; F859-E861 PolarHBondContact O-N 3.07Å; F859-Q862 WeakPolarHBondContact O-CB 3.26Å; F859-Q862 PolarHBondContact O-N 3.41Å; F859-Q862 VanDerWaalsContact O-N 3.11Å; F859-V863 HydrophobicContact CD1-CG1 4.17Å; F859-V863 HydrophobicContact CD1-CG2 4.33Å; F859-V863 HydrophobicContact CE1-CG1 3.71Å; F859-V863 HydrophobicContact CE1-CG2 4.22Å; F859-V863 HydrophobicContact CE2-CG1 4.23Å; F859-V863 HydrophobicContact CZ-CG1 3.75Å; F859-V863 WeakPolarHBondContact O-CG2 3.48Å; F859-V863 PolarHBondContact O-N 3.23Å; F859-W868 AromaticContact CD1-CE3 3.91Å; F859-W868 HydrophobicContact CD1-CE3 3.91Å; F859-W868 AromaticContact CD1-CZ3 3.72Å; F859-W868 HydrophobicContact CD1-CZ3 3.72Å; F859-W868 HydrophobicContact CE1-CE3 4.22Å; F859-W868 HydrophobicContact CE1-CZ3 4.14Å; F859-F871 HydrophobicContact CE1-CD1 4.36Å; F859-F871 HydrophobicContact CE1-CE1 4.26Å |
| 860 | K | 91.1 | Very high | 91.6 | Very high | 32 Ų | 32 | 72.7 Ų | 72.7 | 14% | 0.139 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.1 | -45.1 | 176.1 | 177.6 | 173.5 | 179.1 | 177.4 | 0 | 112 | L856 H857 Q862 G864 E865 W868 V889 | L856-K860 WeakPolarHBondContact O-CB 3.2Å; L856-K860 PolarHBondContact O-N 3.3Å; H857-K860 PolarHBondContact O-N 2.95Å; K860-Q862 VanDerWaalsContact C-N 3.33Å; K860-Q862 PolarHBondContact O-N 3.12Å; K860-G864 WeakPolarHBondContact O-CA 3.29Å; K860-G864 PolarHBondContact O-N 3.07Å; K860-E865 WeakPolarHBondContact CE-OE1 3.35Å; K860-E865 WeakPolarHBondContact CE-OE2 3.4Å; K860-E865 IonicContact NZ-OE1 3.73Å; K860-E865 PolarHBondContact NZ-OE1 3.09Å; K860-E865 IonicContact NZ-OE2 3.23Å; K860-E865 PolarHBondContact NZ-OE2 3.38Å; K860-W868 HydrophobicContact CB-CD2 4.04Å; K860-W868 HydrophobicContact CB-CE3 4.23Å; K860-W868 HydrophobicContact CB-CG 4.22Å; K860-W868 HydrophobicContact CD-CD2 4.3Å; K860-W868 HydrophobicContact CD-CG 4Å; K860-W868 HydrophobicContact CG-CB 4.03Å; K860-W868 HydrophobicContact CG-CD2 4.01Å; K860-W868 HydrophobicContact CG-CG 3.68Å; K860-V889 HydrophobicContact CD-CG1 4.33Å |
| 861 | E | 91.4 | Very high | 91.2 | Very high | 161 Ų | 161 | 70 Ų | 70 | 75% | 0.752 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -62.9 | -39.3 | 175.2 | -74.7 | -177.8 | 175.6 | 0 | 0 | 112.1 | H857 F859 | H857-E861 WeakPolarHBondContact O-CB 3.27Å; H857-E861 WeakPolarHBondContact O-CG 3.28Å; H857-E861 PolarHBondContact O-N 3.34Å; F859-E861 VanDerWaalsContact C-N 3.34Å; F859-E861 PolarHBondContact O-N 3.07Å |
| 862 | Q | 88.2 | Confident | 90.7 | Very high | 134 Ų | 134 | 67.9 Ų | 67.9 | 63% | 0.626 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -68.4 | -41.6 | -178.9 | -175.4 | 178.1 | -1.8 | 0 | 0 | 113 | G858 F859 K860 | G858-Q862 WeakPolarHBondContact O-CB 3.45Å; G858-Q862 PolarHBondContact O-N 3.38Å; F859-Q862 WeakPolarHBondContact O-CB 3.26Å; F859-Q862 PolarHBondContact O-N 3.41Å; F859-Q862 VanDerWaalsContact O-N 3.11Å; K860-Q862 VanDerWaalsContact C-N 3.33Å; K860-Q862 PolarHBondContact O-N 3.12Å |
| 863 | V | 85.9 | Confident | 90.2 | Very high | 39 Ų | 39 | 73.9 Ų | 73.9 | 24% | 0.236 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -83.4 | -23.5 | 179.2 | -57.3 | 0 | 0 | 0 | 0 | 112.5 | F859 N867 W868 | F859-V863 HydrophobicContact CD1-CG1 4.17Å; F859-V863 HydrophobicContact CD1-CG2 4.33Å; F859-V863 HydrophobicContact CE1-CG1 3.71Å; F859-V863 HydrophobicContact CE1-CG2 4.22Å; F859-V863 HydrophobicContact CE2-CG1 4.23Å; F859-V863 HydrophobicContact CZ-CG1 3.75Å; F859-V863 WeakPolarHBondContact O-CG2 3.48Å; F859-V863 PolarHBondContact O-N 3.23Å; V863-N867 HydrophobicContact CB-CB 4.11Å; V863-N867 HydrophobicContact CG2-CB 4.37Å; V863-N867 WeakPolarHBondContact O-CB 3.35Å; V863-N867 PolarHBondContact O-ND2 2.89Å; V863-W868 HydrophobicContact CG2-CB 3.9Å; V863-W868 HydrophobicContact CG2-CE3 4.48Å |
| 864 | G | 87.9 | Confident | 89.7 | Confident | 29 Ų | 29 | 74.9 Ų | 74.9 | 30% | 0.299 | 37% | 0.37 | S | S | . | . | trans | 83.1 | 155 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | K860 E866 N867 W868 | K860-G864 WeakPolarHBondContact O-CA 3.29Å; K860-G864 PolarHBondContact O-N 3.07Å; G864-E866 PolarHBondContact O-N 3.46Å; G864-N867 PolarHBondContact O-N 3.31Å; G864-W868 WeakPolarHBondContact O-CB 3.41Å; G864-W868 PolarHBondContact O-N 2.96Å | ||
| 865 | E | 88.4 | Confident | 89.4 | Confident | 125 Ų | 125 | 68.7 Ų | 68.7 | 58% | 0.584 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -54.3 | -43.5 | -172.4 | -73.5 | -72 | 175.4 | 0 | 0 | 114 | K860 W868 Q869 | K860-E865 WeakPolarHBondContact CE-OE1 3.35Å; K860-E865 WeakPolarHBondContact CE-OE2 3.4Å; K860-E865 IonicContact NZ-OE1 3.73Å; K860-E865 PolarHBondContact NZ-OE1 3.09Å; K860-E865 IonicContact NZ-OE2 3.23Å; K860-E865 PolarHBondContact NZ-OE2 3.38Å; E865-W868 PolarHBondContact O-N 3.39Å; E865-Q869 WeakPolarHBondContact O-CB 3.37Å; E865-Q869 PolarHBondContact O-N 3.4Å |
| 866 | E | 88.1 | Confident | 89 | Confident | 156 Ų | 156 | 71 Ų | 71 | 73% | 0.729 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -66.1 | -42.2 | -179.1 | -69.6 | -175.5 | 173.2 | 0 | 0 | 112.4 | G864 Q869 Q870 | G864-E866 PolarHBondContact O-N 3.46Å; E866-Q869 PolarHBondContact O-N 3.06Å; E866-Q870 WeakPolarHBondContact O-CG 3.44Å; E866-Q870 PolarHBondContact O-N 3.17Å; E866-Q870 VanDerWaalsContact O-N 3.13Å |
| 867 | N | 87.6 | Confident | 88.6 | Confident | 91 Ų | 91 | 75.8 Ų | 75.8 | 49% | 0.487 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -74.7 | -35.3 | 178.9 | -66.1 | -38.4 | 0 | 0 | 0 | 111.5 | V863 G864 Q869 Q870 F871 | V863-N867 HydrophobicContact CB-CB 4.11Å; V863-N867 HydrophobicContact CG2-CB 4.37Å; V863-N867 WeakPolarHBondContact O-CB 3.35Å; V863-N867 PolarHBondContact O-ND2 2.89Å; G864-N867 PolarHBondContact O-N 3.31Å; N867-Q869 VanDerWaalsContact C-N 3.31Å; N867-Q870 PolarHBondContact O-N 2.89Å; N867-F871 VanDerWaalsContact O-CB 3.27Å; N867-F871 WeakPolarHBondContact O-CB 3.45Å; N867-F871 PolarHBondContact O-N 3.07Å |
| 868 | W | 89.1 | Confident | 88.1 | Confident | 6 Ų | 6 | 79.4 Ų | 79.4 | 2% | 0.023 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -61.1 | -42.3 | 171.8 | 175.8 | -105.6 | 0 | 0 | 0 | 111.2 | F831 F859 K860 V863 G864 E865 F871 S872 F875 V889 | F831-W868 HydrophobicContact CD1-CZ3 4.43Å; F831-W868 HydrophobicContact CE1-CH2 4.42Å; F831-W868 HydrophobicContact CE1-CZ3 4.01Å; F859-W868 AromaticContact CD1-CE3 3.91Å; F859-W868 HydrophobicContact CD1-CE3 3.91Å; F859-W868 AromaticContact CD1-CZ3 3.72Å; F859-W868 HydrophobicContact CD1-CZ3 3.72Å; F859-W868 HydrophobicContact CE1-CE3 4.22Å; F859-W868 HydrophobicContact CE1-CZ3 4.14Å; K860-W868 HydrophobicContact CB-CD2 4.04Å; K860-W868 HydrophobicContact CB-CE3 4.23Å; K860-W868 HydrophobicContact CB-CG 4.22Å; K860-W868 HydrophobicContact CD-CD2 4.3Å; K860-W868 HydrophobicContact CD-CG 4Å; K860-W868 HydrophobicContact CG-CB 4.03Å; K860-W868 HydrophobicContact CG-CD2 4.01Å; K860-W868 HydrophobicContact CG-CG 3.68Å; V863-W868 HydrophobicContact CG2-CB 3.9Å; V863-W868 HydrophobicContact CG2-CE3 4.48Å; G864-W868 WeakPolarHBondContact O-CB 3.41Å; G864-W868 PolarHBondContact O-N 2.96Å; E865-W868 PolarHBondContact O-N 3.39Å; W868-F871 HydrophobicContact CE3-CD1 4.01Å; W868-F871 AromaticContact CZ3-CD1 3.82Å; W868-F871 HydrophobicContact CZ3-CD1 3.82Å; W868-F871 HydrophobicContact CZ3-CE1 4.04Å; W868-F871 PolarHBondContact O-N 3.01Å; W868-S872 VanDerWaalsContact O-CB 3.31Å; W868-S872 WeakPolarHBondContact O-CB 3.38Å; W868-S872 PolarHBondContact O-N 3.31Å; W868-S872 PolarHBondContact O-OG 2.96Å; W868-S872 VanDerWaalsContact O-OG 3.08Å; W868-F875 HydrophobicContact CH2-CE2 4.37Å; W868-F875 HydrophobicContact CH2-CZ 4.35Å; W868-V889 HydrophobicContact CH2-CG2 4.49Å; W868-V889 HydrophobicContact CZ2-CB 3.71Å; W868-V889 HydrophobicContact CZ2-CG2 3.96Å; W868-V889 PolarHBondContact NE1-OXT 2.82Å |
| 869 | Q | 87.9 | Confident | 87.9 | Confident | 117 Ų | 117 | 78.4 Ų | 78.4 | 55% | 0.547 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.4 | -48.8 | 176.1 | -171.2 | 175.6 | -6.6 | 0 | 0 | 111.2 | E865 E866 N867 F871 S872 E873 | E865-Q869 WeakPolarHBondContact O-CB 3.37Å; E865-Q869 PolarHBondContact O-N 3.4Å; E866-Q869 PolarHBondContact O-N 3.06Å; N867-Q869 VanDerWaalsContact C-N 3.31Å; Q869-F871 VanDerWaalsContact C-N 3.3Å; Q869-F871 PolarHBondContact O-N 3.08Å; Q869-S872 PolarHBondContact O-N 2.84Å; Q869-S872 PolarHBondContact O-OG 2.95Å; Q869-E873 WeakPolarHBondContact O-CG 3.47Å; Q869-E873 PolarHBondContact O-N 2.82Å; Q869-E873 VanDerWaalsContact O-N 3.1Å |
| 870 | Q | 87.5 | Confident | 87.8 | Confident | 119 Ų | 119 | 81.6 Ų | 81.6 | 56% | 0.556 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.3 | -35 | 176.4 | -70 | 177.4 | 14.7 | 0 | 0 | 113.3 | E866 N867 | E866-Q870 WeakPolarHBondContact O-CG 3.44Å; E866-Q870 PolarHBondContact O-N 3.17Å; E866-Q870 VanDerWaalsContact O-N 3.13Å; N867-Q870 PolarHBondContact O-N 2.89Å |
| 871 | F | 87 | Confident | 87.7 | Confident | 39 Ų | 39 | 86.3 Ų | 86.3 | 17% | 0.171 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -70.5 | -49.2 | 176.8 | 178.8 | -104.7 | 0 | 0 | 0 | 111.7 | F831 I832 F859 N867 W868 Q869 E873 Q874 F875 | F831-F871 HydrophobicContact CB-CZ 4.21Å; F831-F871 AromaticContact CD1-CE1 3.95Å; F831-F871 HydrophobicContact CD1-CE1 3.95Å; F831-F871 HydrophobicContact CD1-CZ 4.21Å; I832-F871 HydrophobicContact CB-CE2 4.33Å; I832-F871 HydrophobicContact CB-CZ 3.85Å; F859-F871 HydrophobicContact CE1-CD1 4.36Å; F859-F871 HydrophobicContact CE1-CE1 4.26Å; N867-F871 VanDerWaalsContact O-CB 3.27Å; N867-F871 WeakPolarHBondContact O-CB 3.45Å; N867-F871 PolarHBondContact O-N 3.07Å; W868-F871 HydrophobicContact CE3-CD1 4.01Å; W868-F871 AromaticContact CZ3-CD1 3.82Å; W868-F871 HydrophobicContact CZ3-CD1 3.82Å; W868-F871 HydrophobicContact CZ3-CE1 4.04Å; W868-F871 PolarHBondContact O-N 3.01Å; Q869-F871 VanDerWaalsContact C-N 3.3Å; Q869-F871 PolarHBondContact O-N 3.08Å; F871-E873 PolarHBondContact O-N 3.45Å; F871-Q874 WeakPolarHBondContact O-CB 3.48Å; F871-Q874 PolarHBondContact O-N 3.39Å; F871-F875 AromaticContact CD1-CE1 3.99Å; F871-F875 HydrophobicContact CD1-CE1 3.99Å; F871-F875 AromaticContact CD1-CZ 3.89Å; F871-F875 HydrophobicContact CD1-CZ 3.89Å; F871-F875 AromaticContact CE1-CE1 3.59Å; F871-F875 HydrophobicContact CE1-CE1 3.59Å; F871-F875 AromaticContact CE1-CZ 3.53Å; F871-F875 HydrophobicContact CE1-CZ 3.53Å; F871-F875 HydrophobicContact CZ-CE1 4.1Å; F871-F875 HydrophobicContact CZ-CZ 4.41Å |
| 872 | S | 86.8 | Confident | 87.5 | Confident | 9 Ų | 9 | 83.2 Ų | 83.2 | 6% | 0.063 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -68.5 | -11.8 | 179.4 | 71.4 | 0 | 0 | 0 | 0 | 114.1 | W868 Q869 F875 K880 | W868-S872 VanDerWaalsContact O-CB 3.31Å; W868-S872 WeakPolarHBondContact O-CB 3.38Å; W868-S872 PolarHBondContact O-N 3.31Å; W868-S872 PolarHBondContact O-OG 2.96Å; W868-S872 VanDerWaalsContact O-OG 3.08Å; Q869-S872 PolarHBondContact O-N 2.84Å; Q869-S872 PolarHBondContact O-OG 2.95Å; S872-F875 PolarHBondContact O-N 2.9Å; S872-K880 PolarHBondContact O-NZ 3.43Å |
| 873 | E | 86.9 | Confident | 87.6 | Confident | 126 Ų | 126 | 77 Ų | 77 | 59% | 0.589 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -19.4 | 169.4 | -81.6 | 173.5 | -173 | 0 | 0 | 112.7 | Q869 F871 F875 | Q869-E873 WeakPolarHBondContact O-CG 3.47Å; Q869-E873 PolarHBondContact O-N 2.82Å; Q869-E873 VanDerWaalsContact O-N 3.1Å; F871-E873 PolarHBondContact O-N 3.45Å; E873-F875 VanDerWaalsContact C-N 3.3Å |
| 874 | Q | 86.3 | Confident | 87.8 | Confident | 133 Ų | 133 | 77.6 Ų | 77.6 | 62% | 0.621 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -10.8 | 177.1 | -56.6 | 174.2 | 33.4 | 0 | 0 | 112.6 | F871 | F871-Q874 WeakPolarHBondContact O-CB 3.48Å; F871-Q874 PolarHBondContact O-N 3.39Å |
| 875 | F | 87.8 | Confident | 87.8 | Confident | 15 Ų | 15 | 80.2 Ų | 80.2 | 7% | 0.066 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -73.6 | 140.5 | -177.2 | -66.1 | -3.8 | 0 | 0 | 0 | 111.3 | I832 C835 W868 F871 S872 E873 L879 K880 L883 | I832-F875 HydrophobicContact CB-CE1 4.37Å; I832-F875 HydrophobicContact CD1-CD1 3.88Å; I832-F875 HydrophobicContact CD1-CE1 4Å; I832-F875 HydrophobicContact CG1-CD1 4Å; I832-F875 HydrophobicContact CG1-CE1 3.76Å; C835-F875 HydrophobicContact CB-CE2 4.48Å; C835-F875 HydrophobicContact CB-CZ 4.05Å; W868-F875 HydrophobicContact CH2-CE2 4.37Å; W868-F875 HydrophobicContact CH2-CZ 4.35Å; F871-F875 AromaticContact CD1-CE1 3.99Å; F871-F875 HydrophobicContact CD1-CE1 3.99Å; F871-F875 AromaticContact CD1-CZ 3.89Å; F871-F875 HydrophobicContact CD1-CZ 3.89Å; F871-F875 AromaticContact CE1-CE1 3.59Å; F871-F875 HydrophobicContact CE1-CE1 3.59Å; F871-F875 AromaticContact CE1-CZ 3.53Å; F871-F875 HydrophobicContact CE1-CZ 3.53Å; F871-F875 HydrophobicContact CZ-CE1 4.1Å; F871-F875 HydrophobicContact CZ-CZ 4.41Å; S872-F875 PolarHBondContact O-N 2.9Å; E873-F875 VanDerWaalsContact C-N 3.3Å; F875-L879 HydrophobicContact CB-CB 4.46Å; F875-L879 HydrophobicContact CB-CD2 4.14Å; F875-L879 HydrophobicContact CB-CG 4.3Å; F875-L879 HydrophobicContact CD1-CD2 4.26Å; F875-L879 HydrophobicContact CD2-CD2 4.38Å; F875-L879 HydrophobicContact CD2-CG 4.31Å; F875-L879 HydrophobicContact CG-CD2 4.02Å; F875-L879 HydrophobicContact CG-CG 4.32Å; F875-K880 HydrophobicContact CB-CB 4.17Å; F875-L883 HydrophobicContact CD2-CD1 4.03Å; F875-L883 HydrophobicContact CE2-CD1 3.65Å; F875-L883 HydrophobicContact CZ-CD1 4.5Å |
| 876 | P | 87.4 | Confident | 87.7 | Confident | 74 Ų | 74 | 76.7 Ų | 76.7 | 48% | 0.481 | 40% | 0.403 | S | S | . | . | trans | -53.3 | 145.5 | 164.2 | -25 | 34.6 | 0 | 0 | 0 | 111 | L878 L879 K880 | P876-L878 VanDerWaalsContact C-N 3.27Å; P876-L878 PolarHBondContact O-N 3.48Å; P876-L879 HydrophobicContact CB-CB 4.31Å; P876-L879 WeakPolarHBondContact O-CB 3.33Å; P876-L879 PolarHBondContact O-N 2.99Å; P876-K880 PolarHBondContact O-N 3.17Å | ||
| 877 | P | 87.1 | Confident | 87.8 | Confident | 100 Ų | 100 | 69.8 Ų | 69.8 | 65% | 0.649 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -52.6 | -43.3 | -176.9 | -28.9 | 35 | 0 | 0 | 0 | 113.7 | L879 K880 E881 | P877-L879 PolarHBondContact O-N 3.08Å; P877-K880 PolarHBondContact O-N 3.38Å; P877-E881 WeakPolarHBondContact O-CG 3.38Å; P877-E881 PolarHBondContact O-N 3.16Å |
| 878 | L | 84.9 | Confident | 87.9 | Confident | 113 Ų | 113 | 67.8 Ų | 67.8 | 59% | 0.592 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -64.1 | -40.8 | 179.6 | -168.4 | 73.1 | 0 | 0 | 0 | 112.5 | P876 E881 R882 | P876-L878 VanDerWaalsContact C-N 3.27Å; P876-L878 PolarHBondContact O-N 3.48Å; L878-E881 PolarHBondContact O-N 3.23Å; L878-R882 WeakPolarHBondContact O-CB 3.17Å; L878-R882 WeakPolarHBondContact O-CG 3.18Å; L878-R882 PolarHBondContact O-N 3.2Å |
| 879 | L | 87.9 | Confident | 87.7 | Confident | 11 Ų | 11 | 68.9 Ų | 68.9 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.2 | -47.2 | 176.8 | 175.1 | 57.6 | 0 | 0 | 0 | 110.4 | D836 A839 F875 P876 P877 E881 R882 L883 | D836-L879 HydrophobicContact CB-CD1 4.48Å; D836-L879 HydrophobicContact CB-CD2 4.14Å; A839-L879 HydrophobicContact CB-CD1 3.17Å; F875-L879 HydrophobicContact CB-CB 4.46Å; F875-L879 HydrophobicContact CB-CD2 4.14Å; F875-L879 HydrophobicContact CB-CG 4.3Å; F875-L879 HydrophobicContact CD1-CD2 4.26Å; F875-L879 HydrophobicContact CD2-CD2 4.38Å; F875-L879 HydrophobicContact CD2-CG 4.31Å; F875-L879 HydrophobicContact CG-CD2 4.02Å; F875-L879 HydrophobicContact CG-CG 4.32Å; P876-L879 HydrophobicContact CB-CB 4.31Å; P876-L879 WeakPolarHBondContact O-CB 3.33Å; P876-L879 PolarHBondContact O-N 2.99Å; P877-L879 PolarHBondContact O-N 3.08Å; L879-E881 PolarHBondContact O-N 3.45Å; L879-R882 PolarHBondContact O-N 3.46Å; L879-L883 HydrophobicContact CD1-CD1 3.77Å; L879-L883 HydrophobicContact CD1-CG 4.03Å; L879-L883 HydrophobicContact CG-CD1 4.02Å; L879-L883 WeakPolarHBondContact O-CG 3.49Å; L879-L883 PolarHBondContact O-N 2.84Å |
| 880 | K | 88.6 | Confident | 87.7 | Confident | 85 Ų | 85 | 66.5 Ų | 66.5 | 37% | 0.37 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.6 | -44.2 | 179.2 | -170.5 | 170.2 | -171.5 | 152.9 | 0 | 112.1 | S872 F875 P876 P877 A884 | S872-K880 PolarHBondContact O-NZ 3.43Å; F875-K880 HydrophobicContact CB-CB 4.17Å; P876-K880 PolarHBondContact O-N 3.17Å; P877-K880 PolarHBondContact O-N 3.38Å; K880-A884 WeakPolarHBondContact O-CB 3.4Å; K880-A884 PolarHBondContact O-N 3.17Å |
| 881 | E | 88.6 | Confident | 87.7 | Confident | 131 Ų | 131 | 63.7 Ų | 63.7 | 61% | 0.612 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -63.6 | -45.2 | 177.2 | -75.2 | 179.2 | 179.4 | 0 | 0 | 112.1 | P877 L878 L879 A884 A885 | P877-E881 WeakPolarHBondContact O-CG 3.38Å; P877-E881 PolarHBondContact O-N 3.16Å; L878-E881 PolarHBondContact O-N 3.23Å; L879-E881 PolarHBondContact O-N 3.45Å; E881-A884 PolarHBondContact O-N 3.28Å; E881-A885 VanDerWaalsContact O-CB 3.24Å; E881-A885 WeakPolarHBondContact O-CB 3.29Å; E881-A885 PolarHBondContact O-N 3.47Å |
| 882 | R | 87.8 | Confident | 87.7 | Confident | 96 Ų | 96 | 65.1 Ų | 65.1 | 36% | 0.362 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 177.3 | -80 | -168.2 | 177.3 | -165.3 | 1.1 | 111.9 | A839 L878 L879 A884 A885 C886 | A839-R882 HydrophobicContact CB-CB 4.32Å; A839-R882 WeakPolarHBondContact O-CD 3.39Å; A839-R882 PolarHBondContact O-NH1 3.42Å; L878-R882 WeakPolarHBondContact O-CB 3.17Å; L878-R882 WeakPolarHBondContact O-CG 3.18Å; L878-R882 PolarHBondContact O-N 3.2Å; L879-R882 PolarHBondContact O-N 3.46Å; R882-A884 PolarHBondContact O-N 2.94Å; R882-A885 PolarHBondContact O-N 3.38Å; R882-C886 VanDerWaalsContact O-CB 3.27Å; R882-C886 WeakPolarHBondContact O-CB 3.35Å; R882-C886 PolarHBondContact O-N 3.22Å; R882-C886 PolarHBondContact O-SG 2.96Å |
| 883 | L | 90.6 | Very high | 87.8 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.01 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.6 | -41.4 | -179.2 | -69.8 | 173.2 | 0 | 0 | 0 | 112.3 | C835 V838 A839 L856 F875 L879 Y887 G888 V889 | C835-L883 HydrophobicContact CB-CD1 3.87Å; V838-L883 HydrophobicContact CG1-CD2 4.45Å; A839-L883 HydrophobicContact CB-CD2 4.07Å; A839-L883 HydrophobicContact CB-CG 4.23Å; L856-L883 HydrophobicContact CD1-CD2 4.19Å; F875-L883 HydrophobicContact CD2-CD1 4.03Å; F875-L883 HydrophobicContact CE2-CD1 3.65Å; F875-L883 HydrophobicContact CZ-CD1 4.5Å; L879-L883 HydrophobicContact CD1-CD1 3.77Å; L879-L883 HydrophobicContact CD1-CG 4.03Å; L879-L883 HydrophobicContact CG-CD1 4.02Å; L879-L883 WeakPolarHBondContact O-CG 3.49Å; L879-L883 PolarHBondContact O-N 2.84Å; L883-Y887 HydrophobicContact CD2-CD2 3.93Å; L883-Y887 HydrophobicContact CD2-CE2 4.23Å; L883-Y887 WeakPolarHBondContact O-CA 3.22Å; L883-Y887 PolarHBondContact O-N 3.05Å; L883-G888 PolarHBondContact O-N 3.15Å; L883-V889 HydrophobicContact CB-CG2 4.26Å |
| 884 | A | 89.1 | Confident | 87.8 | Confident | 53 Ų | 53 | 64.8 Ų | 64.8 | 44% | 0.438 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -64.7 | -43.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | K880 E881 R882 G888 | K880-A884 WeakPolarHBondContact O-CB 3.4Å; K880-A884 PolarHBondContact O-N 3.17Å; E881-A884 PolarHBondContact O-N 3.28Å; R882-A884 PolarHBondContact O-N 2.94Å; A884-G888 VanDerWaalsContact O-CA 3.3Å; A884-G888 WeakPolarHBondContact O-CA 3.47Å; A884-G888 PolarHBondContact O-N 3.15Å; A884-G888 VanDerWaalsContact O-N 3.08Å |
| 885 | A | 88.1 | Confident | 87.9 | Confident | 83 Ų | 83 | 60.3 Ų | 60.3 | 69% | 0.686 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -68.8 | -42.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | E881 R882 | E881-A885 VanDerWaalsContact O-CB 3.24Å; E881-A885 WeakPolarHBondContact O-CB 3.29Å; E881-A885 PolarHBondContact O-N 3.47Å; R882-A885 PolarHBondContact O-N 3.38Å |
| 886 | C | 86 | Confident | 87.9 | Confident | 52 Ų | 52 | 63.5 Ų | 63.5 | 35% | 0.351 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -86.8 | -33.6 | -173.4 | -67.4 | 0 | 0 | 0 | 0 | 113.3 | R849 R882 | R849-C886 PolarHBondContact NE-O 2.86Å; R849-C886 PolarHBondContact NH2-O 3.27Å; R882-C886 VanDerWaalsContact O-CB 3.27Å; R882-C886 WeakPolarHBondContact O-CB 3.35Å; R882-C886 PolarHBondContact O-N 3.22Å; R882-C886 PolarHBondContact O-SG 2.96Å |
| 887 | Y | 91.6 | Very high | 88 | Confident | 10 Ų | 10 | 62.7 Ų | 62.7 | 4% | 0.039 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -131.3 | -7.7 | -169.5 | -50.2 | -77.5 | 0 | 0 | 0 | 114.6 | V838 R849 F852 L856 H857 L883 V889 | V838-Y887 HydrophobicContact CG1-CD2 4.34Å; V838-Y887 HydrophobicContact CG1-CE1 4.43Å; V838-Y887 HydrophobicContact CG1-CE2 3.58Å; R849-Y887 HydrophobicContact CG-CD1 4.37Å; R849-Y887 HydrophobicContact CG-CE1 3.73Å; F852-Y887 HydrophobicContact CB-CD1 4.18Å; F852-Y887 HydrophobicContact CB-CE1 3.67Å; F852-Y887 HydrophobicContact CD2-CE1 4.03Å; F852-Y887 AromaticContact CD2-CZ 3.98Å; F852-Y887 WeakPolarHBondContact CD2-OH 3.4Å; F852-Y887 HydrophobicContact CG-CE1 4.37Å; L856-Y887 HydrophobicContact CD1-CD1 4.24Å; L856-Y887 HydrophobicContact CD1-CD2 3.8Å; L856-Y887 HydrophobicContact CD1-CG 3.66Å; H857-Y887 PolarHBondContact NE2-O 2.68Å; L883-Y887 HydrophobicContact CD2-CD2 3.93Å; L883-Y887 HydrophobicContact CD2-CE2 4.23Å; L883-Y887 WeakPolarHBondContact O-CA 3.22Å; L883-Y887 PolarHBondContact O-N 3.05Å; Y887-V889 PolarHBondContact O-N 2.87Å |
| 888 | G | 88.2 | Confident | 88 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 52% | 0.515 | 35% | 0.351 | S | S | . | . | trans | 69.8 | 28.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 115 | L883 A884 | L883-G888 PolarHBondContact O-N 3.15Å; A884-G888 VanDerWaalsContact O-CA 3.3Å; A884-G888 WeakPolarHBondContact O-CA 3.47Å; A884-G888 PolarHBondContact O-N 3.15Å; A884-G888 VanDerWaalsContact O-N 3.08Å | ||
| 889 | V | 85 | Confident | 88.3 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 18% | 0.176 | 33% | 0.329 | C | S | . | . | trans | -110.7 | 0 | 178 | -68.2 | 0 | 0 | 0 | 0 | 113.3 | L856 H857 K860 W868 L883 Y887 | L856-V889 HydrophobicContact CB-CG1 4.09Å; L856-V889 HydrophobicContact CB-CG2 4.12Å; L856-V889 HydrophobicContact CD1-CG2 4.13Å; L856-V889 HydrophobicContact CG-CG2 4.5Å; H857-V889 VanDerWaalsContact NE2-CG1 3.34Å; H857-V889 WeakPolarHBondContact NE2-CG1 3.29Å; K860-V889 HydrophobicContact CD-CG1 4.33Å; W868-V889 HydrophobicContact CH2-CG2 4.49Å; W868-V889 HydrophobicContact CZ2-CB 3.71Å; W868-V889 HydrophobicContact CZ2-CG2 3.96Å; W868-V889 PolarHBondContact NE1-OXT 2.82Å; L883-V889 HydrophobicContact CB-CG2 4.26Å; Y887-V889 PolarHBondContact O-N 2.87Å |
Retrieved 889 of 889 residues in 1687.9 ms
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