| 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 | 33.4 | Very low | 54 | Low | 242 Ų | 242 | 92.6 Ų | 92.6 | 100% | 1.192 | 50% | 0.501 | S | S | * | . | 0 | 94.1 | 0 | -170.1 | 163.6 | 168.5 | 0 | 0 | 107.3 | M3 | M1-M3 PolarHBondContact O-N 3.43Š| |||
| 2 | M | 34.5 | Very low | 55.3 | Low | 157 Ų | 157 | 85.3 Ų | 85.3 | 77% | 0.773 | 46% | 0.463 | S | S | * | . | trans | -79.8 | 108.1 | 176.3 | -73.7 | 178.7 | -154.2 | 0 | 0 | 107.9 | F4 | M2-F4 HydrophobicContact CB-CD2 4.11Å; M2-F4 HydrophobicContact CB-CE1 4.38Å; M2-F4 HydrophobicContact CB-CE2 3.54Å; M2-F4 HydrophobicContact CB-CZ 3.7Å; M2-F4 HydrophobicContact CG-CZ 4.31Å; M2-F4 WeakPolarHBondContact O-CD2 3.37Å; M2-F4 PolarHBondContact O-N 3.33Å; M2-F4 VanDerWaalsContact O-N 3.1Å; M2-F4 HydrophobicContact SD-CE1 4.45Å; M2-F4 HydrophobicContact SD-CE2 4.27Å; M2-F4 HydrophobicContact SD-CZ 3.66Å | ||
| 3 | M | 39.7 | Very low | 57.1 | Low | 191 Ų | 191 | 80.3 Ų | 80.3 | 94% | 0.941 | 44% | 0.436 | S | S | * | . | trans | -75.1 | 90.7 | 173.9 | -177.6 | 167 | 162.5 | 0 | 0 | 108 | M1 | M1-M3 PolarHBondContact O-N 3.43Š| ||
| 4 | F | 51.3 | Low | 59 | Low | 129 Ų | 129 | 82.9 Ų | 82.9 | 57% | 0.566 | 44% | 0.444 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 134 | 172.7 | -65.2 | -72.2 | 0 | 0 | 0 | 109.6 | M2 | M2-F4 HydrophobicContact CB-CD2 4.11Å; M2-F4 HydrophobicContact CB-CE1 4.38Å; M2-F4 HydrophobicContact CB-CE2 3.54Å; M2-F4 HydrophobicContact CB-CZ 3.7Å; M2-F4 HydrophobicContact CG-CZ 4.31Å; M2-F4 WeakPolarHBondContact O-CD2 3.37Å; M2-F4 PolarHBondContact O-N 3.33Å; M2-F4 VanDerWaalsContact O-N 3.1Å; M2-F4 HydrophobicContact SD-CE1 4.45Å; M2-F4 HydrophobicContact SD-CE2 4.27Å; M2-F4 HydrophobicContact SD-CZ 3.66Å |
| 5 | A | 50.9 | Low | 60.8 | Low | 64 Ų | 64 | 83.7 Ų | 83.7 | 53% | 0.529 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -60.5 | 130.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 6 | P | 61.2 | Low | 62.4 | Low | 73 Ų | 73 | 85.6 Ų | 85.6 | 47% | 0.474 | 47% | 0.473 | S | S | . | . | P | Polyproline II helix | trans | -70.4 | 163.4 | 174.6 | 31.4 | -30.8 | 0 | 0 | 0 | 109.4 | T10 C11 W145 | P6-T10 WeakPolarHBondContact CB-OG1 3.02Å; P6-C11 VanDerWaalsContact CG-SG 3.56Å; P6-W145 PolarHBondContact O-NE1 2.9Å |
| 7 | V | 59.2 | Low | 63.7 | Low | 26 Ų | 26 | 83.1 Ų | 83.1 | 16% | 0.158 | 47% | 0.466 | C | S | . | . | trans | -45.1 | 144.5 | 179.8 | 177.9 | 0 | 0 | 0 | 0 | 111.5 | S9 T10 C11 A141 E144 | V7-S9 PolarHBondContact O-N 2.99Å; V7-T10 WeakPolarHBondContact CA-OG1 3.33Å; V7-T10 HydrophobicContact CB-CG2 4.24Å; V7-T10 WeakPolarHBondContact CB-OG1 3.36Å; V7-T10 PolarHBondContact N-OG1 3.2Å; V7-T10 WeakPolarHBondContact O-CA 3.34Å; V7-T10 PolarHBondContact O-N 3.43Å; V7-T10 PolarHBondContact O-OG1 3.15Å; V7-C11 PolarHBondContact O-N 3.13Å; V7-C11 VanDerWaalsContact O-N 3.1Å; V7-A141 HydrophobicContact CB-CB 4.34Å; V7-A141 HydrophobicContact CG2-CB 3.63Å; V7-E144 HydrophobicContact CG1-CG 4.48Å; V7-E144 WeakPolarHBondContact CG1-OE1 3.41Å; V7-E144 WeakPolarHBondContact CG1-OE2 3.27Å | ||
| 8 | V | 67.1 | Low | 65 | Low | 20 Ų | 20 | 78.8 Ų | 78.8 | 12% | 0.121 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -50.3 | -49.1 | -176 | 177.8 | 0 | 0 | 0 | 0 | 110.6 | T10 C11 G12 F21 E144 W145 A148 | V8-T10 PolarHBondContact O-N 3.31Å; V8-C11 WeakPolarHBondContact O-CB 3.44Å; V8-C11 PolarHBondContact O-N 3.47Å; V8-C11 VanDerWaalsContact O-N 3.13Å; V8-G12 PolarHBondContact O-N 3.48Å; V8-G12 VanDerWaalsContact O-N 3.17Å; V8-F21 HydrophobicContact CG1-CD2 4.37Å; V8-F21 HydrophobicContact CG1-CE2 3.79Å; V8-E144 HydrophobicContact CG2-CG 4.35Å; V8-W145 HydrophobicContact CB-CD2 4.42Å; V8-W145 HydrophobicContact CB-CZ2 4.3Å; V8-W145 HydrophobicContact CG2-CB 4.09Å; V8-W145 HydrophobicContact CG2-CD2 3.34Å; V8-W145 VanDerWaalsContact CG2-CE2 3.44Å; V8-W145 HydrophobicContact CG2-CE3 3.89Å; V8-W145 HydrophobicContact CG2-CG 3.43Å; V8-W145 VanDerWaalsContact CG2-CG 3.43Å; V8-W145 HydrophobicContact CG2-CZ2 4.05Å; V8-W145 HydrophobicContact CG2-CZ3 4.45Å; V8-A148 HydrophobicContact CG2-CB 4.45Å |
| 9 | S | 62.2 | Low | 66.2 | Low | 1 Ų | 1 | 78.7 Ų | 78.7 | 1% | 0.007 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -63.5 | -30 | 179.3 | -177.6 | 0 | 0 | 0 | 0 | 113.5 | V7 G12 D13 V76 H83 | V7-S9 PolarHBondContact O-N 2.99Å; S9-G12 CarbonylContact O-C 3.31Å; S9-G12 PolarHBondContact O-N 3.34Å; S9-D13 WeakPolarHBondContact O-CB 3.39Å; S9-D13 PolarHBondContact O-N 3Å; S9-D13 VanDerWaalsContact O-N 3.15Å; S9-V76 WeakPolarHBondContact OG-CG2 3.25Å; S9-H83 VanDerWaalsContact CB-CE1 3.42Å; S9-H83 WeakPolarHBondContact CB-CE1 3.44Å; S9-H83 WeakPolarHBondContact CB-NE2 3.46Å; S9-H83 PolarHBondContact OG-CE1 3.46Å; S9-H83 PolarHBondContact OG-NE2 3.21Å; S9-H83 VanDerWaalsContact OG-NE2 3.15Å |
| 10 | T | 65.6 | Low | 67.4 | Low | 60 Ų | 60 | 84.5 Ų | 84.5 | 37% | 0.368 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -73.8 | -29.5 | 176.6 | 50 | 0 | 0 | 0 | 0 | 112.5 | P6 V7 V8 G12 D13 | P6-T10 WeakPolarHBondContact CB-OG1 3.02Å; V7-T10 WeakPolarHBondContact CA-OG1 3.33Å; V7-T10 HydrophobicContact CB-CG2 4.24Å; V7-T10 WeakPolarHBondContact CB-OG1 3.36Å; V7-T10 PolarHBondContact N-OG1 3.2Å; V7-T10 WeakPolarHBondContact O-CA 3.34Å; V7-T10 PolarHBondContact O-N 3.43Å; V7-T10 PolarHBondContact O-OG1 3.15Å; V8-T10 PolarHBondContact O-N 3.31Å; T10-G12 VanDerWaalsContact C-N 3.31Å; T10-D13 WeakPolarHBondContact O-CB 3.16Å; T10-D13 PolarHBondContact O-N 3.3Å |
| 11 | C | 69.1 | Low | 68.3 | Low | 56 Ų | 56 | 82.2 Ų | 82.2 | 38% | 0.378 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -67.3 | -34.1 | 169.7 | -68.8 | 0 | 0 | 0 | 0 | 112 | P6 V7 V8 A17 W145 | P6-C11 VanDerWaalsContact CG-SG 3.56Å; V7-C11 PolarHBondContact O-N 3.13Å; V7-C11 VanDerWaalsContact O-N 3.1Å; V8-C11 WeakPolarHBondContact O-CB 3.44Å; V8-C11 PolarHBondContact O-N 3.47Å; V8-C11 VanDerWaalsContact O-N 3.13Å; C11-A17 VanDerWaalsContact O-CB 3.26Å; C11-A17 WeakPolarHBondContact O-CB 3.15Å; C11-W145 HydrophobicContact CB-CZ2 4.13Å |
| 12 | G | 69.1 | Low | 71.1 | Confident | 5 Ų | 5 | 71.4 Ų | 71.4 | 5% | 0.052 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96 | 25.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114 | V8 S9 T10 S18 | V8-G12 PolarHBondContact O-N 3.48Å; V8-G12 VanDerWaalsContact O-N 3.17Å; S9-G12 CarbonylContact O-C 3.31Å; S9-G12 PolarHBondContact O-N 3.34Å; T10-G12 VanDerWaalsContact C-N 3.31Å; G12-S18 WeakPolarHBondContact O-CA 3.41Å; G12-S18 WeakPolarHBondContact O-CB 3.4Å |
| 13 | D | 79.2 | Confident | 73.9 | Confident | 20 Ų | 20 | 69.2 Ų | 69.2 | 11% | 0.107 | 38% | 0.383 | C | S | . | . | S | Bend | trans | -90.7 | -31.7 | -170.7 | -168.4 | 73.2 | 0 | 0 | 0 | 113.2 | S9 T10 V76 S77 | S9-D13 WeakPolarHBondContact O-CB 3.39Å; S9-D13 PolarHBondContact O-N 3Å; S9-D13 VanDerWaalsContact O-N 3.15Å; T10-D13 WeakPolarHBondContact O-CB 3.16Å; T10-D13 PolarHBondContact O-N 3.3Å; D13-V76 PolarHBondContact OD1-N 2.97Å; D13-V76 VanDerWaalsContact OD1-N 3.1Å; D13-S77 PolarHBondContact OD1-N 3.24Å; D13-S77 PolarHBondContact OD1-OG 3.37Å; D13-S77 VanDerWaalsContact OD1-OG 3.07Å; D13-S77 WeakPolarHBondContact OD2-CB 3.38Å; D13-S77 PolarHBondContact OD2-OG 3.08Å |
| 14 | Q | 83 | Confident | 76.3 | Confident | 117 Ų | 117 | 62.7 Ų | 62.7 | 55% | 0.547 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -115.4 | 145.6 | -177 | -60.4 | -59.5 | -47.1 | 0 | 0 | 111.8 | A17 S18 S77 | Q14-A17 PolarHBondContact O-N 2.88Å; Q14-S18 VanDerWaalsContact C-OG 3.31Å; Q14-S18 PolarHBondContact O-N 2.96Å; Q14-S77 PolarHBondContact NE2-OG 3.2Å |
| 15 | P | 86.3 | Confident | 78.3 | Confident | 94 Ų | 94 | 56.7 Ų | 56.7 | 61% | 0.61 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 143.8 | 172 | -23.4 | 34.3 | 0 | 0 | 0 | 111.7 | ||
| 16 | P | 86.9 | Confident | 80.3 | Confident | 114 Ų | 114 | 55.6 Ų | 55.6 | 74% | 0.74 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85.1 | -9.9 | 3.4 | 34.1 | -36 | 0 | 0 | 0 | 114.6 | S18 C19 W20 | P16-S18 VanDerWaalsContact C-N 3.33Å; P16-S18 PolarHBondContact O-N 3.43Å; P16-C19 WeakPolarHBondContact O-CB 3.09Å; P16-C19 PolarHBondContact O-N 2.06Å; P16-W20 PolarHBondContact O-N 3.26Å |
| 17 | A | 84.4 | Confident | 81.8 | Confident | 44 Ų | 44 | 56.8 Ų | 56.8 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.1 | -35.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | C11 Q14 C19 W20 F21 | C11-A17 VanDerWaalsContact O-CB 3.26Å; C11-A17 WeakPolarHBondContact O-CB 3.15Å; Q14-A17 PolarHBondContact O-N 2.88Å; A17-C19 VanDerWaalsContact C-N 3.32Å; A17-C19 PolarHBondContact O-N 3.47Å; A17-W20 PolarHBondContact O-N 3.28Å; A17-F21 WeakPolarHBondContact O-CB 3.17Å; A17-F21 PolarHBondContact O-N 3.08Å |
| 18 | S | 85.9 | Confident | 83.3 | Confident | 6 Ų | 6 | 56.1 Ų | 56.1 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.6 | -34.7 | 176.3 | 63.5 | 0 | 0 | 0 | 0 | 114 | G12 Q14 P16 F21 S22 | G12-S18 WeakPolarHBondContact O-CA 3.41Å; G12-S18 WeakPolarHBondContact O-CB 3.4Å; Q14-S18 VanDerWaalsContact C-OG 3.31Å; Q14-S18 PolarHBondContact O-N 2.96Å; P16-S18 VanDerWaalsContact C-N 3.33Å; P16-S18 PolarHBondContact O-N 3.43Å; S18-F21 PolarHBondContact O-N 3.45Å; S18-S22 WeakPolarHBondContact O-CB 3.03Å; S18-S22 PolarHBondContact O-N 3.32Å |
| 19 | C | 89.6 | Confident | 84.5 | Confident | 76 Ų | 76 | 55.9 Ų | 55.9 | 51% | 0.514 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64.2 | -44.9 | 174.5 | -59.4 | 0 | 0 | 0 | 0 | 110.7 | P16 A17 S22 Q23 | P16-C19 WeakPolarHBondContact O-CB 3.09Å; P16-C19 PolarHBondContact O-N 2.06Å; A17-C19 VanDerWaalsContact C-N 3.32Å; A17-C19 PolarHBondContact O-N 3.47Å; C19-S22 PolarHBondContact O-N 3.34Å; C19-Q23 VanDerWaalsContact O-CG 3.28Å; C19-Q23 WeakPolarHBondContact O-CG 3.27Å; C19-Q23 PolarHBondContact O-N 3.46Å |
| 20 | W | 88.8 | Confident | 86 | Confident | 194 Ų | 194 | 59.7 Ų | 59.7 | 74% | 0.735 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.2 | -44.1 | 178 | -166.9 | -97.5 | 0 | 0 | 0 | 111.9 | P16 A17 S22 Q23 V24 | P16-W20 PolarHBondContact O-N 3.26Å; A17-W20 PolarHBondContact O-N 3.28Å; W20-S22 PolarHBondContact O-N 3.37Å; W20-Q23 PolarHBondContact O-N 3.25Å; W20-V24 WeakPolarHBondContact O-CG2 3.16Å; W20-V24 PolarHBondContact O-N 3.19Å |
| 21 | F | 87.8 | Confident | 87.2 | Confident | 38 Ų | 38 | 60.7 Ų | 60.7 | 17% | 0.167 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.4 | -46.7 | 176.2 | 178.5 | -106.9 | 0 | 0 | 0 | 112 | V8 A17 S18 Q23 V24 C25 T71 | V8-F21 HydrophobicContact CG1-CD2 4.37Å; V8-F21 HydrophobicContact CG1-CE2 3.79Å; A17-F21 WeakPolarHBondContact O-CB 3.17Å; A17-F21 PolarHBondContact O-N 3.08Å; S18-F21 PolarHBondContact O-N 3.45Å; F21-Q23 PolarHBondContact O-N 3.09Å; F21-V24 PolarHBondContact O-N 3.41Å; F21-C25 VanDerWaalsContact CZ-SG 3.59Å; F21-C25 WeakPolarHBondContact O-CB 3.45Å; F21-C25 PolarHBondContact O-N 3.39Å; F21-C25 PolarHBondContact O-SG 3.48Å; F21-T71 HydrophobicContact CE1-CG2 4.44Å; F21-T71 HydrophobicContact CZ-CG2 4.2Å |
| 22 | S | 91.3 | Very high | 88.2 | Confident | 15 Ų | 15 | 58.4 Ų | 58.4 | 11% | 0.105 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58 | -47.1 | 174.8 | 176.8 | 0 | 0 | 0 | 0 | 111.9 | S18 C19 W20 V24 C25 N26 G72 N73 | S18-S22 WeakPolarHBondContact O-CB 3.03Å; S18-S22 PolarHBondContact O-N 3.32Å; C19-S22 PolarHBondContact O-N 3.34Å; W20-S22 PolarHBondContact O-N 3.37Å; S22-V24 PolarHBondContact O-N 3.03Å; S22-C25 PolarHBondContact O-N 3.19Å; S22-N26 WeakPolarHBondContact O-CB 3.34Å; S22-N26 VanDerWaalsContact O-CG 3.26Å; S22-N26 PolarHBondContact O-N 3.11Å; S22-N26 PolarHBondContact O-ND2 2.94Å; S22-N26 VanDerWaalsContact O-ND2 3.12Å; S22-N26 PolarHBondContact OG-ND2 3.08Å; S22-G72 VanDerWaalsContact CA-O 3.23Å; S22-G72 WeakPolarHBondContact CA-O 3.35Å; S22-G72 WeakPolarHBondContact CB-O 3.36Å; S22-G72 PolarHBondContact OG-O 3.34Å; S22-N73 PolarHBondContact OG-OD1 3.41Å |
| 23 | Q | 93.6 | Very high | 89.3 | Confident | 111 Ų | 111 | 61.1 Ų | 61.1 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.1 | -46.8 | 178.7 | -71.4 | -61.6 | -20.5 | 0 | 0 | 112 | C19 W20 F21 C25 N26 I27 | C19-Q23 VanDerWaalsContact O-CG 3.28Å; C19-Q23 WeakPolarHBondContact O-CG 3.27Å; C19-Q23 PolarHBondContact O-N 3.46Å; W20-Q23 PolarHBondContact O-N 3.25Å; F21-Q23 PolarHBondContact O-N 3.09Å; Q23-C25 PolarHBondContact O-N 2.99Å; Q23-N26 PolarHBondContact O-N 3.33Å; Q23-I27 WeakPolarHBondContact O-CB 3.4Å; Q23-I27 VanDerWaalsContact O-CG1 3.23Å; Q23-I27 WeakPolarHBondContact O-CG1 3.38Å; Q23-I27 PolarHBondContact O-N 3.49Å |
| 24 | V | 90.6 | Very high | 89.9 | Confident | 53 Ų | 53 | 64.2 Ų | 64.2 | 32% | 0.321 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 177.7 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | W20 F21 S22 G28 F152 | W20-V24 WeakPolarHBondContact O-CG2 3.16Å; W20-V24 PolarHBondContact O-N 3.19Å; F21-V24 PolarHBondContact O-N 3.41Å; S22-V24 PolarHBondContact O-N 3.03Å; V24-G28 PolarHBondContact O-N 3.16Å; V24-F152 HydrophobicContact CG1-CE1 4.07Å; V24-F152 HydrophobicContact CG1-CZ 3.79Å |
| 25 | C | 91.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 61.4 Ų | 61.4 | 2% | 0.02 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.8 | -43 | 178.1 | -68.4 | 0 | 0 | 0 | 0 | 112.2 | F21 S22 Q23 G28 C29 L68 | F21-C25 VanDerWaalsContact CZ-SG 3.59Å; F21-C25 WeakPolarHBondContact O-CB 3.45Å; F21-C25 PolarHBondContact O-N 3.39Å; F21-C25 PolarHBondContact O-SG 3.48Å; S22-C25 PolarHBondContact O-N 3.19Å; Q23-C25 PolarHBondContact O-N 2.99Å; C25-G28 PolarHBondContact O-N 3.44Å; C25-C29 WeakPolarHBondContact O-CB 3.42Å; C25-C29 PolarHBondContact O-N 2.91Å; C25-L68 HydrophobicContact CB-CD1 4.05Å; C25-L68 HydrophobicContact CB-CG 4.09Å; C25-L68 WeakPolarHBondContact O-CD2 3.4Å; C25-L68 WeakPolarHBondContact O-CG 3.03Å |
| 26 | N | 94.6 | Very high | 90.3 | Very high | 41 Ų | 41 | 57 Ų | 57 | 22% | 0.219 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -67.9 | -41.1 | 179.5 | -73 | -35.3 | 0 | 0 | 0 | 111.8 | S22 Q23 G28 C29 V30 S69 N73 | S22-N26 WeakPolarHBondContact O-CB 3.34Å; S22-N26 VanDerWaalsContact O-CG 3.26Å; S22-N26 PolarHBondContact O-N 3.11Å; S22-N26 PolarHBondContact O-ND2 2.94Å; S22-N26 VanDerWaalsContact O-ND2 3.12Å; S22-N26 PolarHBondContact OG-ND2 3.08Å; Q23-N26 PolarHBondContact O-N 3.33Å; N26-G28 VanDerWaalsContact C-N 3.35Å; N26-C29 WeakPolarHBondContact O-CB 3.25Å; N26-C29 PolarHBondContact O-N 3.19Å; N26-V30 WeakPolarHBondContact O-CG2 3.37Å; N26-V30 PolarHBondContact O-N 3.18Å; N26-V30 VanDerWaalsContact O-N 3.08Å; N26-S69 PolarHBondContact OD1-OG 2.96Å; N26-N73 PolarHBondContact ND2-ND2 3.45Å; N26-N73 PolarHBondContact ND2-OD1 3.24Å; N26-N73 VanDerWaalsContact ND2-OD1 3.17Å; N26-N73 PolarHBondContact OD1-ND2 2.91Å |
| 27 | I | 92 | Very high | 90.5 | Very high | 98 Ų | 98 | 53.4 Ų | 53.4 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 172 | -68.5 | 166 | 0 | 0 | 0 | 110 | Q23 C29 V30 L31 | Q23-I27 WeakPolarHBondContact O-CB 3.4Å; Q23-I27 VanDerWaalsContact O-CG1 3.23Å; Q23-I27 WeakPolarHBondContact O-CG1 3.38Å; Q23-I27 PolarHBondContact O-N 3.49Å; I27-C29 VanDerWaalsContact C-N 3.31Å; I27-C29 PolarHBondContact O-N 3.4Å; I27-V30 PolarHBondContact O-N 2.97Å; I27-L31 HydrophobicContact CG2-CD1 3.86Å; I27-L31 HydrophobicContact CG2-CG 4.32Å; I27-L31 WeakPolarHBondContact O-CB 3.36Å; I27-L31 WeakPolarHBondContact O-CG 3.41Å; I27-L31 PolarHBondContact O-N 2.81Å |
| 28 | G | 90.5 | Very high | 90.7 | Very high | 13 Ų | 13 | 55.9 Ų | 55.9 | 13% | 0.134 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -56.9 | -42.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V24 C25 N26 L31 A32 | V24-G28 PolarHBondContact O-N 3.16Å; C25-G28 PolarHBondContact O-N 3.44Å; N26-G28 VanDerWaalsContact C-N 3.35Å; G28-L31 PolarHBondContact O-N 3.42Å; G28-A32 VanDerWaalsContact O-CB 3.27Å; G28-A32 WeakPolarHBondContact O-CB 3.44Å; G28-A32 PolarHBondContact O-N 2.94Å |
| 29 | C | 92.9 | Very high | 90.8 | Very high | 14 Ų | 14 | 56.5 Ų | 56.5 | 10% | 0.095 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60 | -49.8 | 176.2 | 170.2 | 0 | 0 | 0 | 0 | 111.7 | C25 N26 I27 L31 A32 L33 S65 L68 | C25-C29 WeakPolarHBondContact O-CB 3.42Å; C25-C29 PolarHBondContact O-N 2.91Å; N26-C29 WeakPolarHBondContact O-CB 3.25Å; N26-C29 PolarHBondContact O-N 3.19Å; I27-C29 VanDerWaalsContact C-N 3.31Å; I27-C29 PolarHBondContact O-N 3.4Å; C29-L31 PolarHBondContact O-N 3.37Å; C29-A32 PolarHBondContact O-N 3.07Å; C29-L33 WeakPolarHBondContact O-CG 3.48Å; C29-L33 PolarHBondContact O-N 3.5Å; C29-S65 PolarHBondContact SG-O 2.84Å; C29-L68 HydrophobicContact CB-CD2 4.39Å |
| 30 | V | 93.3 | Very high | 90.8 | Very high | 82 Ų | 82 | 55 Ų | 55 | 50% | 0.497 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62 | -44.9 | 179.1 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | N26 I27 L33 I34 | N26-V30 WeakPolarHBondContact O-CG2 3.37Å; N26-V30 PolarHBondContact O-N 3.18Å; N26-V30 VanDerWaalsContact O-N 3.08Å; I27-V30 PolarHBondContact O-N 2.97Å; V30-L33 PolarHBondContact O-N 3.38Å; V30-I34 HydrophobicContact CG1-CD1 3.89Å; V30-I34 VanDerWaalsContact O-CG1 3.29Å; V30-I34 WeakPolarHBondContact O-CG1 3.45Å; V30-I34 PolarHBondContact O-N 2.95Å |
| 31 | L | 90.6 | Very high | 90.9 | Very high | 81 Ų | 81 | 52.9 Ų | 52.9 | 42% | 0.424 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 177.7 | -70.5 | 176.5 | 0 | 0 | 0 | 111.3 | I27 G28 C29 L33 I34 F35 | I27-L31 HydrophobicContact CG2-CD1 3.86Å; I27-L31 HydrophobicContact CG2-CG 4.32Å; I27-L31 WeakPolarHBondContact O-CB 3.36Å; I27-L31 WeakPolarHBondContact O-CG 3.41Å; I27-L31 PolarHBondContact O-N 2.81Å; G28-L31 PolarHBondContact O-N 3.42Å; C29-L31 PolarHBondContact O-N 3.37Å; L31-L33 PolarHBondContact O-N 3.06Å; L31-I34 PolarHBondContact O-N 3.39Å; L31-F35 HydrophobicContact CB-CD2 4.34Å; L31-F35 HydrophobicContact CB-CE2 3.94Å; L31-F35 WeakPolarHBondContact O-CD2 3.35Å; L31-F35 WeakPolarHBondContact O-CG 3.38Å; L31-F35 PolarHBondContact O-N 2.92Å |
| 32 | A | 90.2 | Very high | 90.7 | Very high | 8 Ų | 8 | 57.3 Ų | 57.3 | 7% | 0.066 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.3 | -49.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | G28 C29 I34 F35 E36 S65 Y155 | G28-A32 VanDerWaalsContact O-CB 3.27Å; G28-A32 WeakPolarHBondContact O-CB 3.44Å; G28-A32 PolarHBondContact O-N 2.94Å; C29-A32 PolarHBondContact O-N 3.07Å; A32-I34 VanDerWaalsContact C-N 3.35Å; A32-I34 PolarHBondContact O-N 3.35Å; A32-F35 PolarHBondContact O-N 2.92Å; A32-F35 VanDerWaalsContact O-N 3.14Å; A32-E36 WeakPolarHBondContact O-CB 3.42Å; A32-E36 WeakPolarHBondContact O-CG 3.45Å; A32-E36 PolarHBondContact O-N 3.49Å; A32-S65 WeakPolarHBondContact CB-OG 3.4Å; A32-Y155 HydrophobicContact CB-CD1 4.19Å; A32-Y155 HydrophobicContact CB-CE1 3.59Å |
| 33 | L | 92.9 | Very high | 90.5 | Very high | 61 Ų | 61 | 57.1 Ų | 57.1 | 32% | 0.319 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.6 | -42.5 | 177.5 | -72.9 | 173.6 | 0 | 0 | 0 | 112.8 | C29 V30 L31 F35 T37 I62 | C29-L33 WeakPolarHBondContact O-CG 3.48Å; C29-L33 PolarHBondContact O-N 3.5Å; V30-L33 PolarHBondContact O-N 3.38Å; L31-L33 PolarHBondContact O-N 3.06Å; L33-F35 VanDerWaalsContact C-N 3.35Å; L33-T37 VanDerWaalsContact O-CB 3.27Å; L33-T37 WeakPolarHBondContact O-CB 3.43Å; L33-T37 PolarHBondContact O-N 3.43Å; L33-T37 PolarHBondContact O-OG1 3.46Å; L33-I62 HydrophobicContact CD2-CG1 4.12Å |
| 34 | I | 90.9 | Very high | 90.2 | Very high | 85 Ų | 85 | 58.9 Ų | 58.9 | 44% | 0.436 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 175.8 | -70.5 | 166.6 | 0 | 0 | 0 | 109.5 | V30 L31 A32 T37 L38 | V30-I34 HydrophobicContact CG1-CD1 3.89Å; V30-I34 VanDerWaalsContact O-CG1 3.29Å; V30-I34 WeakPolarHBondContact O-CG1 3.45Å; V30-I34 PolarHBondContact O-N 2.95Å; L31-I34 PolarHBondContact O-N 3.39Å; A32-I34 VanDerWaalsContact C-N 3.35Å; A32-I34 PolarHBondContact O-N 3.35Å; I34-T37 PolarHBondContact O-N 3.14Å; I34-L38 HydrophobicContact CG2-CD1 3.96Å; I34-L38 HydrophobicContact CG2-CG 4.45Å; I34-L38 VanDerWaalsContact O-CG 3.28Å; I34-L38 WeakPolarHBondContact O-CG 3.41Å; I34-L38 PolarHBondContact O-N 3.2Å |
| 35 | F | 87.3 | Confident | 89.8 | Confident | 59 Ų | 59 | 61.9 Ų | 61.9 | 26% | 0.259 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.6 | -45.4 | -177.6 | -66.7 | -50.9 | 0 | 0 | 0 | 113.1 | L31 A32 L33 T37 L38 R39 V159 | L31-F35 HydrophobicContact CB-CD2 4.34Å; L31-F35 HydrophobicContact CB-CE2 3.94Å; L31-F35 WeakPolarHBondContact O-CD2 3.35Å; L31-F35 WeakPolarHBondContact O-CG 3.38Å; L31-F35 PolarHBondContact O-N 2.92Å; A32-F35 PolarHBondContact O-N 2.92Å; A32-F35 VanDerWaalsContact O-N 3.14Å; L33-F35 VanDerWaalsContact C-N 3.35Å; F35-T37 VanDerWaalsContact C-N 3.27Å; F35-T37 PolarHBondContact O-N 3.33Å; F35-L38 PolarHBondContact O-N 3.41Å; F35-R39 VanDerWaalsContact O-CB 3.3Å; F35-R39 WeakPolarHBondContact O-CB 3.47Å; F35-R39 PolarHBondContact O-N 3.09Å; F35-V159 HydrophobicContact CB-CG2 3.87Å; F35-V159 HydrophobicContact CD1-CB 4.14Å; F35-V159 HydrophobicContact CD1-CG1 3.63Å; F35-V159 HydrophobicContact CD1-CG2 3.37Å; F35-V159 HydrophobicContact CD2-CG2 3.46Å; F35-V159 VanDerWaalsContact CD2-CG2 3.46Å; F35-V159 HydrophobicContact CE1-CB 4.07Å; F35-V159 HydrophobicContact CE1-CG1 3.18Å; F35-V159 HydrophobicContact CE1-CG2 3.67Å; F35-V159 HydrophobicContact CE2-CG1 4.31Å; F35-V159 HydrophobicContact CE2-CG2 3.75Å; F35-V159 HydrophobicContact CG-CB 4.47Å; F35-V159 HydrophobicContact CG-CG1 4.39Å; F35-V159 HydrophobicContact CG-CG2 3.28Å; F35-V159 HydrophobicContact CZ-CB 4.3Å; F35-V159 HydrophobicContact CZ-CG1 3.58Å; F35-V159 HydrophobicContact CZ-CG2 3.85Å |
| 36 | E | 90.1 | Very high | 89.3 | Confident | 2 Ų | 2 | 63.6 Ų | 63.6 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 177.1 | -70.6 | 160.3 | -174.8 | 0 | 0 | 110.9 | A32 R39 F40 F58 G61 I62 Y97 Y155 | A32-E36 WeakPolarHBondContact O-CB 3.42Å; A32-E36 WeakPolarHBondContact O-CG 3.45Å; A32-E36 PolarHBondContact O-N 3.49Å; E36-R39 PolarHBondContact O-N 3.11Å; E36-F40 VanDerWaalsContact O-CB 3.25Å; E36-F40 WeakPolarHBondContact O-CB 3.28Å; E36-F40 PolarHBondContact O-N 3.32Å; E36-F58 HydrophobicContact CB-CD2 4.19Å; E36-F58 HydrophobicContact CB-CE2 4.35Å; E36-G61 WeakPolarHBondContact OE1-CA 3.41Å; E36-G61 WeakPolarHBondContact OE2-CA 3.31Å; E36-G61 VanDerWaalsContact OE2-O 3.08Å; E36-I62 PolarHBondContact OE2-N 3.36Å; E36-Y97 HydrophobicContact CG-CE1 4.35Å; E36-Y97 HydrophobicContact CG-CE2 3.98Å; E36-Y155 PolarHBondContact OE1-OH 3.15Å |
| 37 | T | 91.3 | Very high | 88.4 | Confident | 37 Ų | 37 | 68.1 Ų | 68.1 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.1 | -45.8 | 176 | -59.3 | 0 | 0 | 0 | 0 | 111.7 | L33 I34 F35 R39 F40 R41 | L33-T37 VanDerWaalsContact O-CB 3.27Å; L33-T37 WeakPolarHBondContact O-CB 3.43Å; L33-T37 PolarHBondContact O-N 3.43Å; L33-T37 PolarHBondContact O-OG1 3.46Å; I34-T37 PolarHBondContact O-N 3.14Å; F35-T37 VanDerWaalsContact C-N 3.27Å; F35-T37 PolarHBondContact O-N 3.33Å; T37-R39 VanDerWaalsContact C-N 3.32Å; T37-R39 PolarHBondContact O-N 2.97Å; T37-F40 PolarHBondContact O-N 2.92Å; T37-R41 WeakPolarHBondContact O-CG 3.39Å; T37-R41 PolarHBondContact O-N 3.33Å |
| 38 | L | 88.9 | Confident | 87.8 | Confident | 96 Ų | 96 | 73.3 Ų | 73.3 | 50% | 0.503 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 176.8 | -70.9 | 174.3 | 0 | 0 | 0 | 111.2 | I34 F35 R42 | I34-L38 HydrophobicContact CG2-CD1 3.96Å; I34-L38 HydrophobicContact CG2-CG 4.45Å; I34-L38 VanDerWaalsContact O-CG 3.28Å; I34-L38 WeakPolarHBondContact O-CG 3.41Å; I34-L38 PolarHBondContact O-N 3.2Å; F35-L38 PolarHBondContact O-N 3.41Å; L38-R42 WeakPolarHBondContact O-CB 3.48Å; L38-R42 PolarHBondContact O-N 3.02Å |
| 39 | R | 87.9 | Confident | 87.4 | Confident | 20 Ų | 20 | 74.4 Ų | 74.4 | 8% | 0.075 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 178.7 | -177 | 56.6 | 170.9 | 170 | -2.1 | 111.6 | F35 E36 T37 R41 R42 L43 F162 | F35-R39 VanDerWaalsContact O-CB 3.3Å; F35-R39 WeakPolarHBondContact O-CB 3.47Å; F35-R39 PolarHBondContact O-N 3.09Å; E36-R39 PolarHBondContact O-N 3.11Å; T37-R39 VanDerWaalsContact C-N 3.32Å; T37-R39 PolarHBondContact O-N 2.97Å; R39-R41 PolarHBondContact O-N 2.69Å; R39-R42 PolarHBondContact O-N 2.96Å; R39-L43 HydrophobicContact CG-CD1 4Å; R39-L43 WeakPolarHBondContact O-CG 3.4Å; R39-L43 PolarHBondContact O-N 2.98Å; R39-F162 VanDerWaalsContact CD-CZ 3.44Å |
| 40 | F | 90.6 | Very high | 87.2 | Confident | 44 Ų | 44 | 76.2 Ų | 76.2 | 19% | 0.193 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.8 | -47.9 | 176.9 | 174.3 | -101 | 0 | 0 | 0 | 111.7 | E36 T37 L43 K44 N54 I55 F58 | E36-F40 VanDerWaalsContact O-CB 3.25Å; E36-F40 WeakPolarHBondContact O-CB 3.28Å; E36-F40 PolarHBondContact O-N 3.32Å; T37-F40 PolarHBondContact O-N 2.92Å; F40-L43 PolarHBondContact O-N 3.22Å; F40-K44 HydrophobicContact CE1-CD 4.47Å; F40-K44 WeakPolarHBondContact O-CB 3.49Å; F40-K44 PolarHBondContact O-N 3Å; F40-N54 WeakPolarHBondContact CA-OD1 3.26Å; F40-N54 HydrophobicContact CD2-CB 4.49Å; F40-N54 VanDerWaalsContact CD2-CG 3.48Å; F40-N54 VanDerWaalsContact CD2-ND2 3.34Å; F40-N54 WeakPolarHBondContact CD2-ND2 3.21Å; F40-N54 WeakPolarHBondContact CD2-OD1 3.09Å; F40-N54 PolarHBondContact O-ND2 2.85Å; F40-I55 HydrophobicContact CE2-CG1 3.89Å; F40-I55 HydrophobicContact CZ-CG1 4.36Å; F40-F58 HydrophobicContact CB-CB 4.17Å; F40-F58 HydrophobicContact CB-CD2 3.65Å; F40-F58 HydrophobicContact CB-CE2 4.23Å; F40-F58 HydrophobicContact CB-CG 3.95Å; F40-F58 HydrophobicContact CD2-CB 3.6Å; F40-F58 HydrophobicContact CD2-CD1 4.26Å; F40-F58 HydrophobicContact CD2-CD2 4.44Å; F40-F58 AromaticContact CD2-CG 3.86Å; F40-F58 HydrophobicContact CD2-CG 3.86Å; F40-F58 HydrophobicContact CE2-CB 4.3Å; F40-F58 HydrophobicContact CG-CB 4.07Å; F40-F58 HydrophobicContact CG-CD1 4.29Å; F40-F58 HydrophobicContact CG-CD2 4.05Å; F40-F58 AromaticContact CG-CG 3.87Å; F40-F58 HydrophobicContact CG-CG 3.87Å |
| 41 | R | 89.7 | Confident | 87 | Confident | 149 Ų | 149 | 76.1 Ų | 76.1 | 56% | 0.562 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -60.1 | -47 | 176 | -71.8 | 178.8 | -178.5 | 141.3 | 2.1 | 111.2 | T37 R39 L43 K44 D45 | T37-R41 WeakPolarHBondContact O-CG 3.39Å; T37-R41 PolarHBondContact O-N 3.33Å; R39-R41 PolarHBondContact O-N 2.69Å; R41-L43 VanDerWaalsContact C-N 3.31Å; R41-L43 PolarHBondContact O-N 3.24Å; R41-K44 WeakPolarHBondContact O-CB 3.44Å; R41-K44 PolarHBondContact O-N 3.22Å; R41-K44 VanDerWaalsContact O-N 3.11Å; R41-D45 PolarHBondContact O-N 3.29Å |
| 42 | R | 85.1 | Confident | 87.1 | Confident | 132 Ų | 132 | 82.6 Ų | 82.6 | 50% | 0.498 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -59.8 | -40.7 | -179.7 | -174.6 | 59.6 | 178 | 152.8 | -0.5 | 113 | L38 R39 | L38-R42 WeakPolarHBondContact O-CB 3.48Å; L38-R42 PolarHBondContact O-N 3.02Å; R39-R42 PolarHBondContact O-N 2.96Å |
| 43 | L | 86.4 | Confident | 87.2 | Confident | 10 Ų | 10 | 85.1 Ų | 85.1 | 5% | 0.052 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -75.6 | -27.2 | 178.3 | -72.2 | 170 | 0 | 0 | 0 | 112.6 | R39 F40 R41 D45 C46 C49 N54 L104 | R39-L43 HydrophobicContact CG-CD1 4Å; R39-L43 WeakPolarHBondContact O-CG 3.4Å; R39-L43 PolarHBondContact O-N 2.98Å; F40-L43 PolarHBondContact O-N 3.22Å; R41-L43 VanDerWaalsContact C-N 3.31Å; R41-L43 PolarHBondContact O-N 3.24Å; L43-D45 VanDerWaalsContact C-N 3.28Å; L43-C46 WeakPolarHBondContact O-CB 3.38Å; L43-C46 PolarHBondContact O-N 2.99Å; L43-C49 HydrophobicContact CD2-CB 4.3Å; L43-N54 HydrophobicContact CB-CB 4.32Å; L43-N54 VanDerWaalsContact CB-CG 3.49Å; L43-N54 WeakPolarHBondContact CB-OD1 3.19Å; L43-N54 WeakPolarHBondContact CD1-OD1 3.4Å; L43-L104 HydrophobicContact CD1-CD1 3.73Å; L43-L104 HydrophobicContact CD2-CB 4.26Å |
| 44 | K | 86.9 | Confident | 87.2 | Confident | 148 Ų | 148 | 82.4 Ų | 82.4 | 64% | 0.643 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -64.9 | -35.9 | 173.1 | -170.9 | 179 | 179 | -176.9 | 0 | 111.5 | F40 R41 C46 N54 | F40-K44 HydrophobicContact CE1-CD 4.47Å; F40-K44 WeakPolarHBondContact O-CB 3.49Å; F40-K44 PolarHBondContact O-N 3Å; R41-K44 WeakPolarHBondContact O-CB 3.44Å; R41-K44 PolarHBondContact O-N 3.22Å; R41-K44 VanDerWaalsContact O-N 3.11Å; K44-C46 VanDerWaalsContact C-N 3.26Å; K44-C46 PolarHBondContact O-N 3.46Å; K44-N54 PolarHBondContact N-ND2 3.36Å |
| 45 | D | 82.5 | Confident | 87.4 | Confident | 116 Ų | 116 | 82.5 Ų | 82.5 | 62% | 0.62 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -0.1 | 178 | -56.3 | -28.3 | 0 | 0 | 0 | 113.2 | R41 L43 P47 | R41-D45 PolarHBondContact O-N 3.29Å; L43-D45 VanDerWaalsContact C-N 3.28Å; D45-P47 WeakPolarHBondContact O-CD 3.42Å |
| 46 | C | 80.8 | Confident | 87.8 | Confident | 40 Ų | 40 | 81.6 Ų | 81.6 | 27% | 0.27 | 41% | 0.407 | S | S | . | . | trans | -92.7 | 110.7 | 178.5 | 166.8 | 0 | 0 | 0 | 0 | 110.3 | L43 K44 K48 C49 | L43-C46 WeakPolarHBondContact O-CB 3.38Å; L43-C46 PolarHBondContact O-N 2.99Å; K44-C46 VanDerWaalsContact C-N 3.26Å; K44-C46 PolarHBondContact O-N 3.46Å; C46-K48 PolarHBondContact O-N 2.94Å; C46-K48 VanDerWaalsContact O-N 3.13Å; C46-C49 HydrophobicContact CB-CB 3.64Å; C46-C49 WeakPolarHBondContact CB-SG 3.29Å; C46-C49 PolarHBondContact O-N 3.36Å; C46-C49 VanDerWaalsContact O-N 3.15Å; C46-C49 WeakPolarHBondContact SG-CB 3.39Å; C46-C49 PolarHBondContact SG-N 2.97Å; C46-C49 VanDerWaalsContact SG-N 3.43Å; C46-C49 CovalentContact SG-SG 2.06Å; C46-C49 PolarHBondContact SG-SG 2.66Å | ||
| 47 | P | 76.5 | Confident | 88 | Confident | 135 Ų | 135 | 81.6 Ų | 81.6 | 88% | 0.877 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -22.9 | -174.8 | -22.3 | 33.5 | 0 | 0 | 0 | 114.6 | D45 | D45-P47 WeakPolarHBondContact O-CD 3.42Š|
| 48 | K | 79.4 | Confident | 88.2 | Confident | 207 Ų | 207 | 81.9 Ų | 81.9 | 90% | 0.9 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.1 | -3.7 | -177.9 | -62.8 | -175.8 | 178.9 | -179.3 | 0 | 113.3 | C46 | C46-K48 PolarHBondContact O-N 2.94Å; C46-K48 VanDerWaalsContact O-N 3.13Å |
| 49 | C | 81.6 | Confident | 88.6 | Confident | 36 Ų | 36 | 80 Ų | 80 | 24% | 0.243 | 40% | 0.4 | C | S | . | . | S | Bend | trans | -93.1 | 140.1 | -172.9 | -65 | 0 | 0 | 0 | 0 | 111 | L43 C46 S51 | L43-C49 HydrophobicContact CD2-CB 4.3Å; C46-C49 HydrophobicContact CB-CB 3.64Å; C46-C49 WeakPolarHBondContact CB-SG 3.29Å; C46-C49 PolarHBondContact O-N 3.36Å; C46-C49 VanDerWaalsContact O-N 3.15Å; C46-C49 WeakPolarHBondContact SG-CB 3.39Å; C46-C49 PolarHBondContact SG-N 2.97Å; C46-C49 VanDerWaalsContact SG-N 3.43Å; C46-C49 CovalentContact SG-SG 2.06Å; C46-C49 PolarHBondContact SG-SG 2.66Å; C49-S51 PolarHBondContact O-N 3.44Å |
| 50 | S | 87.8 | Confident | 89 | Confident | 53 Ų | 53 | 81.2 Ų | 81.2 | 37% | 0.371 | 41% | 0.408 | S | S | . | . | trans | -71.1 | 113.3 | 179.5 | 175 | 0 | 0 | 0 | 0 | 111.3 | R52 L53 N54 | S50-R52 VanDerWaalsContact C-N 3.27Å; S50-R52 PolarHBondContact O-N 3.5Å; S50-L53 PolarHBondContact O-N 2.93Å; S50-L53 PolarHBondContact OG-N 3.2Å; S50-N54 PolarHBondContact O-N 2.82Å | ||
| 51 | S | 88.9 | Confident | 89.2 | Confident | 80 Ų | 80 | 79.1 Ų | 79.1 | 56% | 0.559 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -58.2 | -38.3 | 177.2 | -177.6 | 0 | 0 | 0 | 0 | 112.4 | C49 N54 I55 | C49-S51 PolarHBondContact O-N 3.44Å; S51-N54 PolarHBondContact O-N 3.45Å; S51-I55 WeakPolarHBondContact O-CG1 3.38Å; S51-I55 PolarHBondContact O-N 3.37Å |
| 52 | R | 92.8 | Very high | 89.6 | Confident | 216 Ų | 216 | 75.1 Ų | 75.1 | 82% | 0.815 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.9 | -46.2 | 177.9 | -69.2 | 179.9 | 64.1 | -166.7 | -0.5 | 112.4 | S50 N54 I55 A56 | S50-R52 VanDerWaalsContact C-N 3.27Å; S50-R52 PolarHBondContact O-N 3.5Å; R52-N54 VanDerWaalsContact C-N 3.31Å; R52-I55 PolarHBondContact O-N 3.5Å; R52-A56 WeakPolarHBondContact O-CB 3.4Å; R52-A56 PolarHBondContact O-N 3.28Å |
| 53 | L | 92.9 | Very high | 90.2 | Very high | 62 Ų | 62 | 72.3 Ų | 72.3 | 33% | 0.325 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -66.8 | -36.3 | 177.8 | -68.7 | 178.9 | 0 | 0 | 0 | 111.3 | S50 A56 S57 I100 L104 | S50-L53 PolarHBondContact O-N 2.93Å; S50-L53 PolarHBondContact OG-N 3.2Å; L53-A56 PolarHBondContact O-N 2.86Å; L53-S57 WeakPolarHBondContact O-CB 3.48Å; L53-S57 PolarHBondContact O-N 3.38Å; L53-S57 PolarHBondContact O-OG 3.25Å; L53-I100 HydrophobicContact CB-CG2 4.03Å; L53-I100 HydrophobicContact CD2-CG2 4.32Å; L53-L104 HydrophobicContact CB-CD1 4.31Å; L53-L104 HydrophobicContact CB-CD2 4.14Å; L53-L104 HydrophobicContact CD1-CD2 4.19Å |
| 54 | N | 92.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 72.2 Ų | 72.2 | 2% | 0.016 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.6 | -50.4 | 175.9 | -170.5 | 28.4 | 0 | 0 | 0 | 111.5 | F40 L43 K44 S50 S51 R52 S57 F58 | F40-N54 WeakPolarHBondContact CA-OD1 3.26Å; F40-N54 HydrophobicContact CD2-CB 4.49Å; F40-N54 VanDerWaalsContact CD2-CG 3.48Å; F40-N54 VanDerWaalsContact CD2-ND2 3.34Å; F40-N54 WeakPolarHBondContact CD2-ND2 3.21Å; F40-N54 WeakPolarHBondContact CD2-OD1 3.09Å; F40-N54 PolarHBondContact O-ND2 2.85Å; L43-N54 HydrophobicContact CB-CB 4.32Å; L43-N54 VanDerWaalsContact CB-CG 3.49Å; L43-N54 WeakPolarHBondContact CB-OD1 3.19Å; L43-N54 WeakPolarHBondContact CD1-OD1 3.4Å; K44-N54 PolarHBondContact N-ND2 3.36Å; S50-N54 PolarHBondContact O-N 2.82Å; S51-N54 PolarHBondContact O-N 3.45Å; R52-N54 VanDerWaalsContact C-N 3.31Å; N54-S57 PolarHBondContact O-N 3.37Å; N54-S57 PolarHBondContact O-OG 3.3Å; N54-F58 WeakPolarHBondContact O-CB 3.31Å; N54-F58 PolarHBondContact O-N 3.45Å |
| 55 | I | 94.9 | Very high | 91.1 | Very high | 87 Ų | 87 | 65.3 Ų | 65.3 | 45% | 0.446 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.1 | -48.5 | 176.5 | -65.5 | 164.9 | 0 | 0 | 0 | 110.8 | F40 S51 R52 S57 F58 S59 | F40-I55 HydrophobicContact CE2-CG1 3.89Å; F40-I55 HydrophobicContact CZ-CG1 4.36Å; S51-I55 WeakPolarHBondContact O-CG1 3.38Å; S51-I55 PolarHBondContact O-N 3.37Å; R52-I55 PolarHBondContact O-N 3.5Å; I55-S57 VanDerWaalsContact C-N 3.34Å; I55-S57 PolarHBondContact O-N 3Å; I55-F58 PolarHBondContact O-N 2.99Å; I55-S59 PolarHBondContact O-N 3.38Å; I55-S59 PolarHBondContact O-OG 3.04Å |
| 56 | A | 96 | Very high | 91.8 | Very high | 41 Ų | 41 | 63.3 Ų | 63.3 | 34% | 0.339 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.6 | -45.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | R52 L53 F58 S59 L60 I100 | R52-A56 WeakPolarHBondContact O-CB 3.4Å; R52-A56 PolarHBondContact O-N 3.28Å; L53-A56 PolarHBondContact O-N 2.86Å; A56-F58 PolarHBondContact O-N 3.43Å; A56-S59 PolarHBondContact O-N 3.35Å; A56-L60 WeakPolarHBondContact O-CG 3.31Å; A56-L60 PolarHBondContact O-N 2.98Å; A56-I100 HydrophobicContact CB-CD1 4.35Å |
| 57 | S | 94.2 | Very high | 92.5 | Very high | 1 Ų | 1 | 61.4 Ų | 61.4 | 1% | 0.007 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.6 | 73.5 | 0 | 0 | 0 | 0 | 111.5 | L53 N54 I55 S59 L60 G61 Y97 Q101 | L53-S57 WeakPolarHBondContact O-CB 3.48Å; L53-S57 PolarHBondContact O-N 3.38Å; L53-S57 PolarHBondContact O-OG 3.25Å; N54-S57 PolarHBondContact O-N 3.37Å; N54-S57 PolarHBondContact O-OG 3.3Å; I55-S57 VanDerWaalsContact C-N 3.34Å; I55-S57 PolarHBondContact O-N 3Å; S57-S59 PolarHBondContact O-N 3.37Å; S57-L60 PolarHBondContact O-N 3.42Å; S57-G61 PolarHBondContact O-N 2.79Å; S57-Y97 VanDerWaalsContact O-CD2 3.27Å; S57-Y97 WeakPolarHBondContact O-CD2 3.16Å; S57-Q101 PolarHBondContact OG-NE2 3.05Å; S57-Q101 VanDerWaalsContact OG-NE2 3.09Å |
| 58 | F | 95.1 | Very high | 93.4 | Very high | 44 Ų | 44 | 57 Ų | 57 | 19% | 0.193 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.6 | -42.6 | 179.6 | -178.1 | -114.2 | 0 | 0 | 0 | 112.2 | E36 F40 N54 I55 A56 L60 G61 I62 | E36-F58 HydrophobicContact CB-CD2 4.19Å; E36-F58 HydrophobicContact CB-CE2 4.35Å; F40-F58 HydrophobicContact CB-CB 4.17Å; F40-F58 HydrophobicContact CB-CD2 3.65Å; F40-F58 HydrophobicContact CB-CE2 4.23Å; F40-F58 HydrophobicContact CB-CG 3.95Å; F40-F58 HydrophobicContact CD2-CB 3.6Å; F40-F58 HydrophobicContact CD2-CD1 4.26Å; F40-F58 HydrophobicContact CD2-CD2 4.44Å; F40-F58 AromaticContact CD2-CG 3.86Å; F40-F58 HydrophobicContact CD2-CG 3.86Å; F40-F58 HydrophobicContact CE2-CB 4.3Å; F40-F58 HydrophobicContact CG-CB 4.07Å; F40-F58 HydrophobicContact CG-CD1 4.29Å; F40-F58 HydrophobicContact CG-CD2 4.05Å; F40-F58 AromaticContact CG-CG 3.87Å; F40-F58 HydrophobicContact CG-CG 3.87Å; N54-F58 WeakPolarHBondContact O-CB 3.31Å; N54-F58 PolarHBondContact O-N 3.45Å; I55-F58 PolarHBondContact O-N 2.99Å; A56-F58 PolarHBondContact O-N 3.43Å; F58-L60 VanDerWaalsContact C-N 3.34Å; F58-L60 PolarHBondContact O-N 3.42Å; F58-G61 PolarHBondContact O-N 3.02Å; F58-I62 HydrophobicContact CD1-CD1 4.02Å; F58-I62 HydrophobicContact CE1-CD1 3.53Å; F58-I62 HydrophobicContact CE1-CG1 4.46Å; F58-I62 HydrophobicContact CE2-CD1 4.33Å; F58-I62 HydrophobicContact CE2-CG1 4.48Å; F58-I62 HydrophobicContact CZ-CD1 3.71Å; F58-I62 HydrophobicContact CZ-CG1 4.3Å; F58-I62 WeakPolarHBondContact O-CG1 3.4Å; F58-I62 PolarHBondContact O-N 3.27Å |
| 59 | S | 97.3 | Very high | 94.2 | Very high | 55 Ų | 55 | 49 Ų | 49 | 39% | 0.385 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.5 | -42.4 | 174.3 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | I55 A56 S57 I62 I63 | I55-S59 PolarHBondContact O-N 3.38Å; I55-S59 PolarHBondContact O-OG 3.04Å; A56-S59 PolarHBondContact O-N 3.35Å; S57-S59 PolarHBondContact O-N 3.37Å; S59-I62 PolarHBondContact O-N 2.91Å; S59-I63 VanDerWaalsContact O-CG1 3.29Å; S59-I63 WeakPolarHBondContact O-CG1 3.3Å; S59-I63 PolarHBondContact O-N 3.45Å |
| 60 | L | 96.5 | Very high | 94.9 | Very high | 47 Ų | 47 | 49.3 Ų | 49.3 | 25% | 0.246 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66 | -37.1 | 176.8 | -72.6 | 166.1 | 0 | 0 | 0 | 112.6 | A56 S57 F58 I63 S64 A96 I100 | A56-L60 WeakPolarHBondContact O-CG 3.31Å; A56-L60 PolarHBondContact O-N 2.98Å; S57-L60 PolarHBondContact O-N 3.42Å; F58-L60 VanDerWaalsContact C-N 3.34Å; F58-L60 PolarHBondContact O-N 3.42Å; L60-I63 PolarHBondContact O-N 3.46Å; L60-S64 WeakPolarHBondContact O-CB 3.21Å; L60-S64 PolarHBondContact O-N 3.37Å; L60-A96 HydrophobicContact CD1-CB 3.86Å; L60-A96 HydrophobicContact CD2-CB 4.23Å; L60-I100 HydrophobicContact CD1-CD1 3.55Å |
| 61 | G | 95 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E36 S57 F58 I63 S64 S65 | E36-G61 WeakPolarHBondContact OE1-CA 3.41Å; E36-G61 WeakPolarHBondContact OE2-CA 3.31Å; E36-G61 VanDerWaalsContact OE2-O 3.08Å; S57-G61 PolarHBondContact O-N 2.79Å; F58-G61 PolarHBondContact O-N 3.02Å; G61-I63 VanDerWaalsContact C-N 3.35Å; G61-I63 PolarHBondContact O-N 3.48Å; G61-S64 VanDerWaalsContact O-CB 3.27Å; G61-S64 WeakPolarHBondContact O-CB 3.21Å; G61-S64 PolarHBondContact O-N 3.39Å; G61-S65 PolarHBondContact O-N 3.31Å; G61-S65 PolarHBondContact O-OG 2.93Å |
| 62 | I | 97.3 | Very high | 95.3 | Very high | 64 Ų | 64 | 43.7 Ų | 43.7 | 33% | 0.328 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.1 | -46.3 | 175.1 | -68.1 | 172.5 | 0 | 0 | 0 | 110.7 | L33 E36 F58 S59 S64 S65 V66 | L33-I62 HydrophobicContact CD2-CG1 4.12Å; E36-I62 PolarHBondContact OE2-N 3.36Å; F58-I62 HydrophobicContact CD1-CD1 4.02Å; F58-I62 HydrophobicContact CE1-CD1 3.53Å; F58-I62 HydrophobicContact CE1-CG1 4.46Å; F58-I62 HydrophobicContact CE2-CD1 4.33Å; F58-I62 HydrophobicContact CE2-CG1 4.48Å; F58-I62 HydrophobicContact CZ-CD1 3.71Å; F58-I62 HydrophobicContact CZ-CG1 4.3Å; F58-I62 WeakPolarHBondContact O-CG1 3.4Å; F58-I62 PolarHBondContact O-N 3.27Å; S59-I62 PolarHBondContact O-N 2.91Å; I62-S64 VanDerWaalsContact C-N 3.28Å; I62-S64 PolarHBondContact O-N 3Å; I62-S65 PolarHBondContact O-N 3.47Å; I62-V66 HydrophobicContact CG2-CG2 4.44Å; I62-V66 WeakPolarHBondContact O-CG2 3.3Å; I62-V66 PolarHBondContact O-N 3.48Å |
| 63 | I | 97.7 | Very high | 95.4 | Very high | 74 Ų | 74 | 36.5 Ų | 36.5 | 38% | 0.379 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.4 | -43.3 | 177.5 | -69.5 | 164.6 | 0 | 0 | 0 | 110.7 | S59 L60 G61 V66 G67 L89 | S59-I63 VanDerWaalsContact O-CG1 3.29Å; S59-I63 WeakPolarHBondContact O-CG1 3.3Å; S59-I63 PolarHBondContact O-N 3.45Å; L60-I63 PolarHBondContact O-N 3.46Å; G61-I63 VanDerWaalsContact C-N 3.35Å; G61-I63 PolarHBondContact O-N 3.48Å; I63-V66 PolarHBondContact O-N 3.37Å; I63-G67 PolarHBondContact O-N 2.97Å; I63-L89 HydrophobicContact CG2-CB 4.29Å; I63-L89 HydrophobicContact CG2-CD2 3.84Å |
| 64 | S | 96.3 | Very high | 95.5 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 6% | 0.056 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -58.7 | -49.8 | 175.5 | -179.7 | 0 | 0 | 0 | 0 | 112 | L60 G61 I62 V66 G67 L68 L89 G90 G94 | L60-S64 WeakPolarHBondContact O-CB 3.21Å; L60-S64 PolarHBondContact O-N 3.37Å; G61-S64 VanDerWaalsContact O-CB 3.27Å; G61-S64 WeakPolarHBondContact O-CB 3.21Å; G61-S64 PolarHBondContact O-N 3.39Å; I62-S64 VanDerWaalsContact C-N 3.28Å; I62-S64 PolarHBondContact O-N 3Å; S64-V66 PolarHBondContact O-N 3.24Å; S64-G67 WeakPolarHBondContact O-CA 3.38Å; S64-G67 PolarHBondContact O-N 3.05Å; S64-G67 VanDerWaalsContact O-N 3.1Å; S64-L68 PolarHBondContact O-N 2.99Å; S64-L89 WeakPolarHBondContact CA-O 3.27Å; S64-G90 WeakPolarHBondContact O-CA 3.49Å; S64-G90 PolarHBondContact OG-O 3.23Å; S64-G94 VanDerWaalsContact OG-CA 3.31Å; S64-G94 WeakPolarHBondContact OG-CA 3.36Å; S64-G94 PolarHBondContact OG-N 3.48Å |
| 65 | S | 95.9 | Very high | 95.3 | Very high | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.014 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.1 | -41.8 | -179.9 | -64.9 | 0 | 0 | 0 | 0 | 112.2 | C29 A32 G61 I62 G67 L68 S69 | C29-S65 PolarHBondContact SG-O 2.84Å; A32-S65 WeakPolarHBondContact CB-OG 3.4Å; G61-S65 PolarHBondContact O-N 3.31Å; G61-S65 PolarHBondContact O-OG 2.93Å; I62-S65 PolarHBondContact O-N 3.47Å; S65-G67 VanDerWaalsContact C-N 3.35Å; S65-L68 PolarHBondContact O-N 3.31Å; S65-S69 PolarHBondContact O-N 2.84Å |
| 66 | V | 97.2 | Very high | 95 | Very high | 75 Ų | 75 | 36.3 Ų | 36.3 | 46% | 0.455 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.1 | -44.9 | 172.2 | 171.4 | 0 | 0 | 0 | 0 | 110.7 | I62 I63 S64 L68 S69 I70 | I62-V66 HydrophobicContact CG2-CG2 4.44Å; I62-V66 WeakPolarHBondContact O-CG2 3.3Å; I62-V66 PolarHBondContact O-N 3.48Å; I63-V66 PolarHBondContact O-N 3.37Å; S64-V66 PolarHBondContact O-N 3.24Å; V66-L68 VanDerWaalsContact C-N 3.33Å; V66-L68 PolarHBondContact O-N 2.82Å; V66-S69 PolarHBondContact O-N 3.24Å; V66-I70 HydrophobicContact CG1-CD1 3.88Å; V66-I70 HydrophobicContact CG1-CG1 4.45Å; V66-I70 WeakPolarHBondContact O-CG1 3.34Å; V66-I70 PolarHBondContact O-N 2.91Å |
| 67 | G | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57 | -44.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I63 S64 S65 I70 T71 G86 | I63-G67 PolarHBondContact O-N 2.97Å; S64-G67 WeakPolarHBondContact O-CA 3.38Å; S64-G67 PolarHBondContact O-N 3.05Å; S64-G67 VanDerWaalsContact O-N 3.1Å; S65-G67 VanDerWaalsContact C-N 3.35Å; G67-I70 PolarHBondContact O-N 2.89Å; G67-T71 WeakPolarHBondContact O-CB 3.33Å; G67-T71 PolarHBondContact O-N 3.42Å; G67-T71 PolarHBondContact O-OG1 3.31Å; G67-G86 CarbonylContact C-O 3.57Å; G67-G86 VanDerWaalsContact C-O 3.31Å; G67-G86 VanDerWaalsContact CA-O 3.23Å; G67-G86 WeakPolarHBondContact CA-O 3.28Å; G67-G86 CarbonylContact O-C 3.32Å; G67-G86 WeakPolarHBondContact O-CA 3.27Å |
| 68 | L | 94.2 | Very high | 94.2 | Very high | 43 Ų | 43 | 41.5 Ų | 41.5 | 23% | 0.225 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.8 | -42 | 177.3 | -171.8 | 60.7 | 0 | 0 | 0 | 112.2 | C25 C29 S64 S65 V66 T71 G72 | C25-L68 HydrophobicContact CB-CD1 4.05Å; C25-L68 HydrophobicContact CB-CG 4.09Å; C25-L68 WeakPolarHBondContact O-CD2 3.4Å; C25-L68 WeakPolarHBondContact O-CG 3.03Å; C29-L68 HydrophobicContact CB-CD2 4.39Å; S64-L68 PolarHBondContact O-N 2.99Å; S65-L68 PolarHBondContact O-N 3.31Å; V66-L68 VanDerWaalsContact C-N 3.33Å; V66-L68 PolarHBondContact O-N 2.82Å; L68-T71 PolarHBondContact O-N 3.39Å; L68-G72 PolarHBondContact O-N 3.41Å |
| 69 | S | 96.5 | Very high | 94 | Very high | 39 Ų | 39 | 43.2 Ų | 43.2 | 27% | 0.273 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.9 | -43.8 | 175 | -174.6 | 0 | 0 | 0 | 0 | 111.8 | N26 S65 V66 G72 N73 | N26-S69 PolarHBondContact OD1-OG 2.96Å; S65-S69 PolarHBondContact O-N 2.84Å; V66-S69 PolarHBondContact O-N 3.24Å; S69-G72 PolarHBondContact O-N 3.06Å; S69-N73 PolarHBondContact O-N 3.29Å; S69-N73 VanDerWaalsContact O-N 3.16Å; S69-N73 PolarHBondContact O-ND2 2.84Å; S69-N73 PolarHBondContact OG-ND2 3.47Å |
| 70 | I | 96.4 | Very high | 93.6 | Very high | 42 Ų | 42 | 46.2 Ų | 46.2 | 22% | 0.215 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.2 | -50.8 | 175.3 | -68 | 169.5 | 0 | 0 | 0 | 110 | V66 G67 G72 N73 F74 V82 | V66-I70 HydrophobicContact CG1-CD1 3.88Å; V66-I70 HydrophobicContact CG1-CG1 4.45Å; V66-I70 WeakPolarHBondContact O-CG1 3.34Å; V66-I70 PolarHBondContact O-N 2.91Å; G67-I70 PolarHBondContact O-N 2.89Å; I70-G72 VanDerWaalsContact C-N 3.28Å; I70-G72 PolarHBondContact O-N 3.32Å; I70-N73 PolarHBondContact O-N 2.83Å; I70-F74 HydrophobicContact CB-CD2 4.42Å; I70-F74 HydrophobicContact CG2-CD2 3.84Å; I70-F74 HydrophobicContact CG2-CE2 4.46Å; I70-F74 WeakPolarHBondContact O-CB 3.46Å; I70-F74 WeakPolarHBondContact O-CD2 3.46Å; I70-F74 PolarHBondContact O-N 2.9Å; I70-V82 HydrophobicContact CG2-CG1 3.56Å; I70-V82 WeakPolarHBondContact CG2-O 3.49Å |
| 71 | T | 93.9 | Very high | 93.3 | Very high | 14 Ų | 14 | 48.2 Ų | 48.2 | 9% | 0.086 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -56 | -43.6 | -179.4 | -52.4 | 0 | 0 | 0 | 0 | 111.9 | F21 G67 L68 H83 G86 A87 | F21-T71 HydrophobicContact CE1-CG2 4.44Å; F21-T71 HydrophobicContact CZ-CG2 4.2Å; G67-T71 WeakPolarHBondContact O-CB 3.33Å; G67-T71 PolarHBondContact O-N 3.42Å; G67-T71 PolarHBondContact O-OG1 3.31Å; L68-T71 PolarHBondContact O-N 3.39Å; T71-H83 WeakPolarHBondContact CG2-CE1 3.48Å; T71-H83 PolarHBondContact O-CE1 2.95Å; T71-H83 VanDerWaalsContact O-CE1 3.28Å; T71-H83 PolarHBondContact O-ND1 2.85Å; T71-G86 PolarHBondContact OG1-O 3Å; T71-A87 HydrophobicContact CG2-CB 4.18Å; T71-A87 VanDerWaalsContact OG1-CA 3.31Å; T71-A87 WeakPolarHBondContact OG1-CA 3.39Å; T71-A87 PolarHBondContact OG1-N 3.1Å |
| 72 | G | 92.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.01 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -69.8 | -29.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | S22 L68 S69 I70 | S22-G72 VanDerWaalsContact CA-O 3.23Å; S22-G72 WeakPolarHBondContact CA-O 3.35Å; S22-G72 WeakPolarHBondContact CB-O 3.36Å; S22-G72 PolarHBondContact OG-O 3.34Å; L68-G72 PolarHBondContact O-N 3.41Å; S69-G72 PolarHBondContact O-N 3.06Å; I70-G72 VanDerWaalsContact C-N 3.28Å; I70-G72 PolarHBondContact O-N 3.32Å |
| 73 | N | 94.8 | Very high | 93.1 | Very high | 64 Ų | 64 | 47.5 Ų | 47.5 | 34% | 0.342 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -103.3 | -21.2 | -173.1 | -65.9 | -66.9 | 0 | 0 | 0 | 114.1 | S22 N26 S69 I70 Q75 | S22-N73 PolarHBondContact OG-OD1 3.41Å; N26-N73 PolarHBondContact ND2-ND2 3.45Å; N26-N73 PolarHBondContact ND2-OD1 3.24Å; N26-N73 VanDerWaalsContact ND2-OD1 3.17Å; N26-N73 PolarHBondContact OD1-ND2 2.91Å; S69-N73 PolarHBondContact O-N 3.29Å; S69-N73 VanDerWaalsContact O-N 3.16Å; S69-N73 PolarHBondContact O-ND2 2.84Å; S69-N73 PolarHBondContact OG-ND2 3.47Å; I70-N73 PolarHBondContact O-N 2.83Å; N73-Q75 PolarHBondContact O-OE1 3.4Å |
| 74 | F | 93.5 | Very high | 92.8 | Very high | 85 Ų | 85 | 47.5 Ų | 47.5 | 37% | 0.373 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -107.2 | 101.7 | 176.5 | -67.9 | -86.6 | 0 | 0 | 0 | 109.6 | I70 I79 V82 H83 | I70-F74 HydrophobicContact CB-CD2 4.42Å; I70-F74 HydrophobicContact CG2-CD2 3.84Å; I70-F74 HydrophobicContact CG2-CE2 4.46Å; I70-F74 WeakPolarHBondContact O-CB 3.46Å; I70-F74 WeakPolarHBondContact O-CD2 3.46Å; I70-F74 PolarHBondContact O-N 2.9Å; F74-I79 HydrophobicContact CD1-CD1 4.15Å; F74-I79 HydrophobicContact CE1-CD1 4.35Å; F74-V82 HydrophobicContact CB-CG1 4Å; F74-V82 HydrophobicContact CD1-CG1 3.92Å; F74-V82 HydrophobicContact CD2-CG1 3.8Å; F74-V82 HydrophobicContact CE1-CG1 4.35Å; F74-V82 HydrophobicContact CE2-CG1 4.24Å; F74-V82 HydrophobicContact CG-CB 4.44Å; F74-V82 HydrophobicContact CG-CG1 3.62Å; F74-V82 HydrophobicContact CZ-CG1 4.49Å; F74-H83 VanDerWaalsContact O-CB 3.32Å; F74-H83 WeakPolarHBondContact O-CB 3.23Å; F74-H83 PolarHBondContact O-ND1 3.44Å |
| 75 | Q | 89.5 | Confident | 92.7 | Very high | 46 Ų | 46 | 51.9 Ų | 51.9 | 22% | 0.215 | 29% | 0.286 | C | S | . | . | trans | -69.2 | 153.1 | -179.8 | -61.8 | 79.2 | 3.9 | 0 | 0 | 111.6 | N73 S77 S78 I79 | N73-Q75 PolarHBondContact O-OE1 3.4Å; Q75-S77 VanDerWaalsContact C-N 3.33Å; Q75-S77 PolarHBondContact O-N 3.02Å; Q75-S78 PolarHBondContact O-N 3.01Å; Q75-I79 PolarHBondContact O-N 3.27Å; Q75-I79 VanDerWaalsContact O-N 3.07Å | ||
| 76 | V | 87.6 | Confident | 92.7 | Very high | 18 Ų | 18 | 51.8 Ų | 51.8 | 11% | 0.109 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -64 | -37 | -178.3 | 165.8 | 0 | 0 | 0 | 0 | 111.8 | S9 D13 K80 H83 | S9-V76 WeakPolarHBondContact OG-CG2 3.25Å; D13-V76 PolarHBondContact OD1-N 2.97Å; D13-V76 VanDerWaalsContact OD1-N 3.1Å; V76-K80 HydrophobicContact CG1-CG 4.27Å; V76-K80 WeakPolarHBondContact O-CA 3.32Å; V76-K80 WeakPolarHBondContact O-CB 3.25Å; V76-K80 PolarHBondContact O-N 3.38Å; V76-H83 HydrophobicContact CG2-CB 4.05Å; V76-H83 WeakPolarHBondContact CG2-CD2 3.26Å; V76-H83 VanDerWaalsContact CG2-CG 3.43Å |
| 77 | S | 84.9 | Confident | 92.5 | Very high | 70 Ų | 70 | 48.8 Ų | 48.8 | 49% | 0.49 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -70.1 | -31.2 | 176.6 | 55.9 | 0 | 0 | 0 | 0 | 113.6 | D13 Q14 Q75 | D13-S77 PolarHBondContact OD1-N 3.24Å; D13-S77 PolarHBondContact OD1-OG 3.37Å; D13-S77 VanDerWaalsContact OD1-OG 3.07Å; D13-S77 WeakPolarHBondContact OD2-CB 3.38Å; D13-S77 PolarHBondContact OD2-OG 3.08Å; Q14-S77 PolarHBondContact NE2-OG 3.2Å; Q75-S77 VanDerWaalsContact C-N 3.33Å; Q75-S77 PolarHBondContact O-N 3.02Å |
| 78 | S | 88.9 | Confident | 92.3 | Very high | 81 Ų | 81 | 54.8 Ų | 54.8 | 57% | 0.566 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -77.2 | -61.8 | -179.7 | -61.1 | 0 | 0 | 0 | 0 | 111.5 | Q75 | Q75-S78 PolarHBondContact O-N 3.01Å |
| 79 | I | 91.9 | Very high | 92.4 | Very high | 80 Ų | 80 | 55.2 Ų | 55.2 | 41% | 0.41 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -142 | 77.5 | -176.6 | -52.4 | 173 | 0 | 0 | 0 | 109.6 | F74 Q75 S81 V82 H83 | F74-I79 HydrophobicContact CD1-CD1 4.15Å; F74-I79 HydrophobicContact CE1-CD1 4.35Å; Q75-I79 PolarHBondContact O-N 3.27Å; Q75-I79 VanDerWaalsContact O-N 3.07Å; I79-S81 VanDerWaalsContact C-N 3.27Å; I79-S81 PolarHBondContact O-N 3.35Å; I79-S81 VanDerWaalsContact O-N 3.16Å; I79-V82 HydrophobicContact CB-CB 4.38Å; I79-V82 HydrophobicContact CG2-CB 3.78Å; I79-V82 HydrophobicContact CG2-CG2 3.53Å; I79-V82 PolarHBondContact O-N 3.27Å; I79-V82 VanDerWaalsContact O-N 3.13Å; I79-H83 PolarHBondContact O-N 3.28Å; I79-H83 VanDerWaalsContact O-N 3.09Å |
| 80 | K | 87.9 | Confident | 92.3 | Very high | 118 Ų | 118 | 53.8 Ų | 53.8 | 51% | 0.513 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -47 | -44.6 | -178.6 | -170.2 | 169.7 | -174 | 175.9 | 0 | 114.2 | V76 H83 Y84 | V76-K80 HydrophobicContact CG1-CG 4.27Å; V76-K80 WeakPolarHBondContact O-CA 3.32Å; V76-K80 WeakPolarHBondContact O-CB 3.25Å; V76-K80 PolarHBondContact O-N 3.38Å; K80-H83 PolarHBondContact O-N 3.5Å; K80-Y84 HydrophobicContact CD-CE2 4.02Å; K80-Y84 VanDerWaalsContact CE-CE2 3.42Å; K80-Y84 HydrophobicContact CG-CD2 3.72Å; K80-Y84 HydrophobicContact CG-CE2 3.38Å; K80-Y84 WeakPolarHBondContact O-CD2 3.47Å; K80-Y84 PolarHBondContact O-N 2.94Å; K80-Y84 VanDerWaalsContact O-N 3.11Å |
| 81 | S | 91.3 | Very high | 92.1 | Very high | 88 Ų | 88 | 53.5 Ų | 53.5 | 62% | 0.615 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.1 | -46.5 | -177.3 | -45.2 | 0 | 0 | 0 | 0 | 111.9 | I79 I85 | I79-S81 VanDerWaalsContact C-N 3.27Å; I79-S81 PolarHBondContact O-N 3.35Å; I79-S81 VanDerWaalsContact O-N 3.16Å; S81-I85 WeakPolarHBondContact O-CD1 3.38Å; S81-I85 VanDerWaalsContact O-CG1 3.25Å; S81-I85 WeakPolarHBondContact O-CG1 3.27Å; S81-I85 PolarHBondContact O-N 3.12Å; S81-I85 VanDerWaalsContact O-N 3.11Å |
| 82 | V | 94.2 | Very high | 92.2 | Very high | 48 Ų | 48 | 54 Ų | 54 | 29% | 0.291 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -69.3 | -41.1 | -179.1 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | I70 F74 I79 Y84 I85 G86 | I70-V82 HydrophobicContact CG2-CG1 3.56Å; I70-V82 WeakPolarHBondContact CG2-O 3.49Å; F74-V82 HydrophobicContact CB-CG1 4Å; F74-V82 HydrophobicContact CD1-CG1 3.92Å; F74-V82 HydrophobicContact CD2-CG1 3.8Å; F74-V82 HydrophobicContact CE1-CG1 4.35Å; F74-V82 HydrophobicContact CE2-CG1 4.24Å; F74-V82 HydrophobicContact CG-CB 4.44Å; F74-V82 HydrophobicContact CG-CG1 3.62Å; F74-V82 HydrophobicContact CZ-CG1 4.49Å; I79-V82 HydrophobicContact CB-CB 4.38Å; I79-V82 HydrophobicContact CG2-CB 3.78Å; I79-V82 HydrophobicContact CG2-CG2 3.53Å; I79-V82 PolarHBondContact O-N 3.27Å; I79-V82 VanDerWaalsContact O-N 3.13Å; V82-Y84 PolarHBondContact O-N 3.42Å; V82-I85 PolarHBondContact O-N 3.26Å; V82-G86 PolarHBondContact O-N 3.26Å |
| 83 | H | 93.6 | Very high | 92.3 | Very high | 2 Ų | 2 | 54.2 Ų | 54.2 | 1% | 0.009 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55.1 | -52.1 | 175.7 | -176.1 | 91.6 | 0 | 0 | 0 | 111.8 | S9 T71 F74 V76 I79 K80 I85 G86 A87 | S9-H83 VanDerWaalsContact CB-CE1 3.42Å; S9-H83 WeakPolarHBondContact CB-CE1 3.44Å; S9-H83 WeakPolarHBondContact CB-NE2 3.46Å; S9-H83 PolarHBondContact OG-CE1 3.46Å; S9-H83 PolarHBondContact OG-NE2 3.21Å; S9-H83 VanDerWaalsContact OG-NE2 3.15Å; T71-H83 WeakPolarHBondContact CG2-CE1 3.48Å; T71-H83 PolarHBondContact O-CE1 2.95Å; T71-H83 VanDerWaalsContact O-CE1 3.28Å; T71-H83 PolarHBondContact O-ND1 2.85Å; F74-H83 VanDerWaalsContact O-CB 3.32Å; F74-H83 WeakPolarHBondContact O-CB 3.23Å; F74-H83 PolarHBondContact O-ND1 3.44Å; V76-H83 HydrophobicContact CG2-CB 4.05Å; V76-H83 WeakPolarHBondContact CG2-CD2 3.26Å; V76-H83 VanDerWaalsContact CG2-CG 3.43Å; I79-H83 PolarHBondContact O-N 3.28Å; I79-H83 VanDerWaalsContact O-N 3.09Å; K80-H83 PolarHBondContact O-N 3.5Å; H83-I85 PolarHBondContact O-N 3.33Å; H83-G86 WeakPolarHBondContact O-CA 3.5Å; H83-G86 PolarHBondContact O-N 3.4Å; H83-G86 VanDerWaalsContact O-N 3.14Å; H83-A87 PolarHBondContact O-N 2.9Å |
| 84 | Y | 90.5 | Very high | 92.2 | Very high | 74 Ų | 74 | 51.2 Ų | 51.2 | 29% | 0.29 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.4 | -30.6 | -178 | -72.1 | -54.6 | 0 | 0 | 0 | 113.8 | K80 V82 G86 A87 F88 | K80-Y84 HydrophobicContact CD-CE2 4.02Å; K80-Y84 VanDerWaalsContact CE-CE2 3.42Å; K80-Y84 HydrophobicContact CG-CD2 3.72Å; K80-Y84 HydrophobicContact CG-CE2 3.38Å; K80-Y84 WeakPolarHBondContact O-CD2 3.47Å; K80-Y84 PolarHBondContact O-N 2.94Å; K80-Y84 VanDerWaalsContact O-N 3.11Å; V82-Y84 PolarHBondContact O-N 3.42Å; Y84-G86 VanDerWaalsContact C-N 3.32Å; Y84-A87 PolarHBondContact O-N 3.41Å; Y84-F88 VanDerWaalsContact O-CB 3.32Å; Y84-F88 WeakPolarHBondContact O-CB 3.21Å; Y84-F88 PolarHBondContact O-N 3.38Å |
| 85 | I | 95 | Very high | 92.3 | Very high | 99 Ų | 99 | 47.6 Ų | 47.6 | 51% | 0.508 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.1 | -47.2 | 169.4 | -69.9 | 165.5 | 0 | 0 | 0 | 109.2 | S81 V82 H83 A87 F88 L89 | S81-I85 WeakPolarHBondContact O-CD1 3.38Å; S81-I85 VanDerWaalsContact O-CG1 3.25Å; S81-I85 WeakPolarHBondContact O-CG1 3.27Å; S81-I85 PolarHBondContact O-N 3.12Å; S81-I85 VanDerWaalsContact O-N 3.11Å; V82-I85 PolarHBondContact O-N 3.26Å; H83-I85 PolarHBondContact O-N 3.33Å; I85-A87 PolarHBondContact O-N 3.46Å; I85-F88 PolarHBondContact O-N 2.93Å; I85-L89 HydrophobicContact CG2-CD1 3.97Å; I85-L89 HydrophobicContact CG2-CG 4.39Å; I85-L89 WeakPolarHBondContact O-CB 3.48Å; I85-L89 VanDerWaalsContact O-CG 3.25Å; I85-L89 WeakPolarHBondContact O-CG 3.31Å; I85-L89 PolarHBondContact O-N 3.44Å |
| 86 | G | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -55.6 | -49.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | G67 T71 V82 H83 Y84 F88 L89 G90 | G67-G86 CarbonylContact C-O 3.57Å; G67-G86 VanDerWaalsContact C-O 3.31Å; G67-G86 VanDerWaalsContact CA-O 3.23Å; G67-G86 WeakPolarHBondContact CA-O 3.28Å; G67-G86 CarbonylContact O-C 3.32Å; G67-G86 WeakPolarHBondContact O-CA 3.27Å; T71-G86 PolarHBondContact OG1-O 3Å; V82-G86 PolarHBondContact O-N 3.26Å; H83-G86 WeakPolarHBondContact O-CA 3.5Å; H83-G86 PolarHBondContact O-N 3.4Å; H83-G86 VanDerWaalsContact O-N 3.14Å; Y84-G86 VanDerWaalsContact C-N 3.32Å; G86-F88 VanDerWaalsContact C-N 3.33Å; G86-F88 PolarHBondContact O-N 2.89Å; G86-L89 PolarHBondContact O-N 3.39Å; G86-G90 PolarHBondContact O-N 3.46Å |
| 87 | A | 92.5 | Very high | 92.8 | Very high | 13 Ų | 13 | 46.9 Ų | 46.9 | 11% | 0.107 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T71 H83 Y84 I85 G90 F91 | T71-A87 HydrophobicContact CG2-CB 4.18Å; T71-A87 VanDerWaalsContact OG1-CA 3.31Å; T71-A87 WeakPolarHBondContact OG1-CA 3.39Å; T71-A87 PolarHBondContact OG1-N 3.1Å; H83-A87 PolarHBondContact O-N 2.9Å; Y84-A87 PolarHBondContact O-N 3.41Å; I85-A87 PolarHBondContact O-N 3.46Å; A87-G90 PolarHBondContact O-N 2.94Å; A87-F91 HydrophobicContact CB-CE2 4.47Å; A87-F91 WeakPolarHBondContact O-CB 3.19Å; A87-F91 WeakPolarHBondContact O-CD2 3.37Å; A87-F91 PolarHBondContact O-N 2.89Å |
| 88 | F | 93.4 | Very high | 93.1 | Very high | 126 Ų | 126 | 43.6 Ų | 43.6 | 55% | 0.553 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -62.6 | -48.1 | 174.3 | 177.5 | -99 | 0 | 0 | 0 | 111.7 | Y84 I85 G86 G90 A92 | Y84-F88 VanDerWaalsContact O-CB 3.32Å; Y84-F88 WeakPolarHBondContact O-CB 3.21Å; Y84-F88 PolarHBondContact O-N 3.38Å; I85-F88 PolarHBondContact O-N 2.93Å; G86-F88 VanDerWaalsContact C-N 3.33Å; G86-F88 PolarHBondContact O-N 2.89Å; F88-G90 VanDerWaalsContact C-N 3.32Å; F88-G90 PolarHBondContact O-N 3.15Å; F88-A92 HydrophobicContact CD2-CB 4.19Å; F88-A92 HydrophobicContact CE1-CB 4.37Å; F88-A92 HydrophobicContact CE2-CB 3.89Å; F88-A92 HydrophobicContact CZ-CB 3.99Å; F88-A92 WeakPolarHBondContact O-CB 3.17Å; F88-A92 PolarHBondContact O-N 3.19Å |
| 89 | L | 95.7 | Very high | 93.3 | Very high | 52 Ų | 52 | 43.7 Ų | 43.7 | 27% | 0.272 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -61.1 | -42.1 | 178 | -68.4 | 175.5 | 0 | 0 | 0 | 111.6 | I63 S64 I85 G86 G93 | I63-L89 HydrophobicContact CG2-CB 4.29Å; I63-L89 HydrophobicContact CG2-CD2 3.84Å; S64-L89 WeakPolarHBondContact CA-O 3.27Å; I85-L89 HydrophobicContact CG2-CD1 3.97Å; I85-L89 HydrophobicContact CG2-CG 4.39Å; I85-L89 WeakPolarHBondContact O-CB 3.48Å; I85-L89 VanDerWaalsContact O-CG 3.25Å; I85-L89 WeakPolarHBondContact O-CG 3.31Å; I85-L89 PolarHBondContact O-N 3.44Å; G86-L89 PolarHBondContact O-N 3.39Å; L89-G93 VanDerWaalsContact O-CA 3.26Å; L89-G93 WeakPolarHBondContact O-CA 3.28Å; L89-G93 PolarHBondContact O-N 3.18Å |
| 90 | G | 94.2 | Very high | 93.4 | Very high | 8 Ų | 8 | 41.3 Ų | 41.3 | 8% | 0.082 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.7 | -54.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S64 G86 A87 F88 G94 | S64-G90 WeakPolarHBondContact O-CA 3.49Å; S64-G90 PolarHBondContact OG-O 3.23Å; G86-G90 PolarHBondContact O-N 3.46Å; A87-G90 PolarHBondContact O-N 2.94Å; F88-G90 VanDerWaalsContact C-N 3.32Å; F88-G90 PolarHBondContact O-N 3.15Å; G90-G94 PolarHBondContact O-N 3.12Å |
| 91 | F | 93.6 | Very high | 93.4 | Very high | 37 Ų | 37 | 35.9 Ų | 35.9 | 16% | 0.162 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.8 | -50.5 | -176.6 | -67.4 | -48.6 | 0 | 0 | 0 | 113.1 | A87 L95 L125 E144 L147 A148 F151 | A87-F91 HydrophobicContact CB-CE2 4.47Å; A87-F91 WeakPolarHBondContact O-CB 3.19Å; A87-F91 WeakPolarHBondContact O-CD2 3.37Å; A87-F91 PolarHBondContact O-N 2.89Å; F91-L95 WeakPolarHBondContact O-CB 3.21Å; F91-L95 PolarHBondContact O-N 2.73Å; F91-L125 HydrophobicContact CB-CD1 4.1Å; F91-E144 HydrophobicContact CE2-CG 4.46Å; F91-L147 HydrophobicContact CB-CD2 4.09Å; F91-L147 HydrophobicContact CD1-CD2 3.97Å; F91-L147 HydrophobicContact CD1-CG 4.07Å; F91-L147 HydrophobicContact CD2-CD2 4.12Å; F91-L147 HydrophobicContact CE1-CD2 4.45Å; F91-L147 HydrophobicContact CE1-CG 4.31Å; F91-L147 HydrophobicContact CG-CD2 3.8Å; F91-L147 HydrophobicContact CG-CG 4.42Å; F91-A148 HydrophobicContact CE1-CB 4.27Å; F91-A148 HydrophobicContact CZ-CB 4.07Å; F91-F151 HydrophobicContact CD1-CD1 4.37Å; F91-F151 HydrophobicContact CD1-CD2 4.43Å; F91-F151 HydrophobicContact CD1-CE1 4.45Å; F91-F151 HydrophobicContact CD1-CG 4.34Å; F91-F151 VanDerWaalsContact O-CZ 3.31Å; F91-F151 WeakPolarHBondContact O-CZ 3.14Å |
| 92 | A | 94.6 | Very high | 93.3 | Very high | 23 Ų | 23 | 31.7 Ų | 31.7 | 19% | 0.19 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.1 | -41.9 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | F88 L95 A96 L125 | F88-A92 HydrophobicContact CD2-CB 4.19Å; F88-A92 HydrophobicContact CE1-CB 4.37Å; F88-A92 HydrophobicContact CE2-CB 3.89Å; F88-A92 HydrophobicContact CZ-CB 3.99Å; F88-A92 WeakPolarHBondContact O-CB 3.17Å; F88-A92 PolarHBondContact O-N 3.19Å; A92-L95 PolarHBondContact O-N 3.33Å; A92-A96 WeakPolarHBondContact O-CB 3.37Å; A92-A96 PolarHBondContact O-N 2.85Å; A92-L125 HydrophobicContact CB-CD2 4.16Å |
| 93 | G | 95.5 | Very high | 93.1 | Very high | 7 Ų | 7 | 33.9 Ų | 33.9 | 7% | 0.072 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.7 | -47.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L89 L95 A96 Y97 | L89-G93 VanDerWaalsContact O-CA 3.26Å; L89-G93 WeakPolarHBondContact O-CA 3.28Å; L89-G93 PolarHBondContact O-N 3.18Å; G93-L95 PolarHBondContact O-N 3Å; G93-A96 PolarHBondContact O-N 3.39Å; G93-Y97 PolarHBondContact O-N 3.44Å |
| 94 | G | 93.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.2 | -37.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S64 G90 Y97 L98 | S64-G94 VanDerWaalsContact OG-CA 3.31Å; S64-G94 WeakPolarHBondContact OG-CA 3.36Å; S64-G94 PolarHBondContact OG-N 3.48Å; G90-G94 PolarHBondContact O-N 3.12Å; G94-Y97 WeakPolarHBondContact O-CB 3.22Å; G94-Y97 PolarHBondContact O-N 3.42Å; G94-L98 VanDerWaalsContact O-CG 3.31Å; G94-L98 WeakPolarHBondContact O-CG 3.35Å; G94-L98 PolarHBondContact O-N 2.91Å |
| 95 | L | 94.3 | Very high | 92.4 | Very high | 10 Ų | 10 | 31.6 Ų | 31.6 | 5% | 0.052 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -44.8 | 174.7 | -173.5 | 57 | 0 | 0 | 0 | 111.6 | F91 A92 G93 Y97 L98 W99 C118 C121 T122 L125 F151 | F91-L95 WeakPolarHBondContact O-CB 3.21Å; F91-L95 PolarHBondContact O-N 2.73Å; A92-L95 PolarHBondContact O-N 3.33Å; G93-L95 PolarHBondContact O-N 3Å; L95-Y97 VanDerWaalsContact C-N 3.33Å; L95-Y97 PolarHBondContact O-N 3.14Å; L95-L98 PolarHBondContact O-N 2.68Å; L95-W99 VanDerWaalsContact O-CD1 3.24Å; L95-W99 PolarHBondContact O-N 3.35Å; L95-C118 HydrophobicContact CD1-CB 4.41Å; L95-C121 HydrophobicContact CD1-CB 3.79Å; L95-T122 HydrophobicContact CD2-CG2 4.42Å; L95-L125 HydrophobicContact CD2-CD2 3.9Å; L95-F151 HydrophobicContact CB-CZ 3.92Å |
| 96 | A | 95.2 | Very high | 91.7 | Very high | 34 Ų | 34 | 32.5 Ų | 32.5 | 28% | 0.281 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -62.9 | -40.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L60 A92 G93 W99 I100 | L60-A96 HydrophobicContact CD1-CB 3.86Å; L60-A96 HydrophobicContact CD2-CB 4.23Å; A92-A96 WeakPolarHBondContact O-CB 3.37Å; A92-A96 PolarHBondContact O-N 2.85Å; G93-A96 PolarHBondContact O-N 3.39Å; A96-W99 PolarHBondContact O-N 3.24Å; A96-I100 WeakPolarHBondContact O-CG1 2.95Å; A96-I100 PolarHBondContact O-N 3.03Å; A96-I100 VanDerWaalsContact O-N 3.14Å |
| 97 | Y | 93.4 | Very high | 91.2 | Very high | 15 Ų | 15 | 36.3 Ų | 36.3 | 6% | 0.059 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.2 | -51.9 | 170.8 | 163 | -103 | 0 | 0 | 0 | 111.4 | E36 S57 G93 G94 L95 W99 I100 Q101 Y155 | E36-Y97 HydrophobicContact CG-CE1 4.35Å; E36-Y97 HydrophobicContact CG-CE2 3.98Å; S57-Y97 VanDerWaalsContact O-CD2 3.27Å; S57-Y97 WeakPolarHBondContact O-CD2 3.16Å; G93-Y97 PolarHBondContact O-N 3.44Å; G94-Y97 WeakPolarHBondContact O-CB 3.22Å; G94-Y97 PolarHBondContact O-N 3.42Å; L95-Y97 VanDerWaalsContact C-N 3.33Å; L95-Y97 PolarHBondContact O-N 3.14Å; Y97-W99 PolarHBondContact O-N 2.98Å; Y97-I100 PolarHBondContact O-N 3.14Å; Y97-Q101 HydrophobicContact CD1-CG 4.4Å; Y97-Q101 HydrophobicContact CD2-CG 3.95Å; Y97-Q101 HydrophobicContact CE1-CG 3.99Å; Y97-Q101 HydrophobicContact CE2-CG 3.52Å; Y97-Q101 HydrophobicContact CG-CG 4.38Å; Y97-Q101 WeakPolarHBondContact O-CG 3.16Å; Y97-Q101 PolarHBondContact O-N 3.15Å; Y97-Y155 HydrophobicContact CE1-CE1 4.42Å |
| 98 | L | 91.3 | Very high | 90.8 | Very high | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.2 | -41.3 | -178.7 | -68.8 | 173.8 | 0 | 0 | 0 | 112.5 | G94 L95 I100 Q101 L102 L154 F158 | G94-L98 VanDerWaalsContact O-CG 3.31Å; G94-L98 WeakPolarHBondContact O-CG 3.35Å; G94-L98 PolarHBondContact O-N 2.91Å; L95-L98 PolarHBondContact O-N 2.68Å; L98-I100 PolarHBondContact O-N 2.84Å; L98-Q101 PolarHBondContact O-N 3.32Å; L98-L102 WeakPolarHBondContact O-CG 3.46Å; L98-L102 PolarHBondContact O-N 3.33Å; L98-L154 HydrophobicContact CD1-CB 4.41Å; L98-L154 HydrophobicContact CD1-CD1 4.16Å; L98-L154 HydrophobicContact CD1-CD2 4.49Å; L98-F158 HydrophobicContact CD2-CD2 3.68Å; L98-F158 HydrophobicContact CD2-CE2 3.83Å; L98-F158 HydrophobicContact CD2-CG 4.24Å; L98-F158 HydrophobicContact CD2-CZ 4.48Å |
| 99 | W | 93.6 | Very high | 90.4 | Very high | 83 Ų | 83 | 45.3 Ų | 45.3 | 31% | 0.314 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -59.2 | -44.5 | 174.9 | -86.1 | 112.2 | 0 | 0 | 0 | 112.6 | L95 A96 Y97 L102 L103 Y115 C118 T122 | L95-W99 VanDerWaalsContact O-CD1 3.24Å; L95-W99 PolarHBondContact O-N 3.35Å; A96-W99 PolarHBondContact O-N 3.24Å; Y97-W99 PolarHBondContact O-N 2.98Å; W99-L102 HydrophobicContact CE3-CD1 4.38Å; W99-L102 PolarHBondContact O-N 2.94Å; W99-L103 PolarHBondContact O-N 3.45Å; W99-Y115 HydrophobicContact CE3-CD1 4.16Å; W99-Y115 HydrophobicContact CE3-CE1 4.13Å; W99-Y115 HydrophobicContact CH2-CD1 4.18Å; W99-Y115 AromaticContact CZ3-CD1 3.45Å; W99-Y115 HydrophobicContact CZ3-CD1 3.45Å; W99-Y115 VanDerWaalsContact CZ3-CD1 3.45Å; W99-Y115 AromaticContact CZ3-CE1 3.69Å; W99-Y115 HydrophobicContact CZ3-CE1 3.69Å; W99-C118 HydrophobicContact CD2-CB 4.19Å; W99-C118 HydrophobicContact CH2-CB 4.49Å; W99-C118 HydrophobicContact CZ2-CB 3.93Å; W99-T122 PolarHBondContact NE1-OG1 3.32Å |
| 100 | I | 92.1 | Very high | 89.8 | Confident | 29 Ų | 29 | 44.2 Ų | 44.2 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.6 | -39.7 | 176.9 | -61.2 | 173.7 | 0 | 0 | 0 | 110.5 | L53 A56 L60 A96 Y97 L98 L102 L103 L104 | L53-I100 HydrophobicContact CB-CG2 4.03Å; L53-I100 HydrophobicContact CD2-CG2 4.32Å; A56-I100 HydrophobicContact CB-CD1 4.35Å; L60-I100 HydrophobicContact CD1-CD1 3.55Å; A96-I100 WeakPolarHBondContact O-CG1 2.95Å; A96-I100 PolarHBondContact O-N 3.03Å; A96-I100 VanDerWaalsContact O-N 3.14Å; Y97-I100 PolarHBondContact O-N 3.14Å; L98-I100 PolarHBondContact O-N 2.84Å; I100-L102 VanDerWaalsContact C-N 3.26Å; I100-L102 PolarHBondContact O-N 2.79Å; I100-L103 WeakPolarHBondContact O-CB 2.96Å; I100-L103 PolarHBondContact O-N 3.11Å; I100-L103 VanDerWaalsContact O-N 3.08Å; I100-L104 HydrophobicContact CG2-CD1 4.22Å; I100-L104 PolarHBondContact O-N 3.5Å |
| 101 | Q | 89.4 | Confident | 89.4 | Confident | 5 Ų | 5 | 46.5 Ų | 46.5 | 2% | 0.023 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -35.4 | 176.9 | -71.5 | -59.4 | -23.5 | 0 | 0 | 112.5 | S57 Y97 L98 L103 L104 I105 | S57-Q101 PolarHBondContact OG-NE2 3.05Å; S57-Q101 VanDerWaalsContact OG-NE2 3.09Å; Y97-Q101 HydrophobicContact CD1-CG 4.4Å; Y97-Q101 HydrophobicContact CD2-CG 3.95Å; Y97-Q101 HydrophobicContact CE1-CG 3.99Å; Y97-Q101 HydrophobicContact CE2-CG 3.52Å; Y97-Q101 HydrophobicContact CG-CG 4.38Å; Y97-Q101 WeakPolarHBondContact O-CG 3.16Å; Y97-Q101 PolarHBondContact O-N 3.15Å; L98-Q101 PolarHBondContact O-N 3.32Å; Q101-L103 VanDerWaalsContact C-N 3.3Å; Q101-L103 PolarHBondContact O-N 3.41Å; Q101-L104 CarbonylContact O-C 3.53Å; Q101-L104 PolarHBondContact O-N 3.4Å; Q101-L104 VanDerWaalsContact O-N 3.08Å; Q101-I105 WeakPolarHBondContact O-CG1 3.41Å; Q101-I105 PolarHBondContact O-N 2.85Å |
| 102 | L | 89 | Confident | 89.1 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.8 | -32.5 | 174.3 | -75.3 | 170.4 | 0 | 0 | 0 | 113.9 | L98 W99 I100 L104 K111 G114 Y115 C118 F158 | L98-L102 WeakPolarHBondContact O-CG 3.46Å; L98-L102 PolarHBondContact O-N 3.33Å; W99-L102 HydrophobicContact CE3-CD1 4.38Å; W99-L102 PolarHBondContact O-N 2.94Å; I100-L102 VanDerWaalsContact C-N 3.26Å; I100-L102 PolarHBondContact O-N 2.79Å; L102-L104 PolarHBondContact O-N 3.5Å; L102-K111 WeakPolarHBondContact O-CE 3.36Å; L102-K111 PolarHBondContact O-NZ 2.77Å; L102-G114 WeakPolarHBondContact CD1-O 3.43Å; L102-Y115 HydrophobicContact CB-CD1 4.46Å; L102-Y115 HydrophobicContact CB-CE1 4.07Å; L102-Y115 HydrophobicContact CD1-CD1 3.79Å; L102-Y115 HydrophobicContact CD1-CE1 4.18Å; L102-Y115 HydrophobicContact CD1-CG 4.38Å; L102-C118 HydrophobicContact CD1-CB 3.96Å; L102-C118 VanDerWaalsContact CD1-SG 3.55Å; L102-F158 HydrophobicContact CD2-CE1 3.92Å; L102-F158 HydrophobicContact CD2-CZ 3.82Å; L102-F158 HydrophobicContact CG-CE1 4.36Å; L102-F158 HydrophobicContact CG-CZ 4.14Å |
| 103 | L | 89.1 | Confident | 88.8 | Confident | 93 Ų | 93 | 54.8 Ų | 54.8 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.3 | -31.4 | 174.2 | -58.9 | 178.3 | 0 | 0 | 0 | 111.3 | W99 I100 Q101 | W99-L103 PolarHBondContact O-N 3.45Å; I100-L103 WeakPolarHBondContact O-CB 2.96Å; I100-L103 PolarHBondContact O-N 3.11Å; I100-L103 VanDerWaalsContact O-N 3.08Å; Q101-L103 VanDerWaalsContact C-N 3.3Å; Q101-L103 PolarHBondContact O-N 3.41Å |
| 104 | L | 86 | Confident | 88.4 | Confident | 22 Ų | 22 | 54.6 Ų | 54.6 | 12% | 0.115 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -89.8 | -12.1 | -176.9 | -59.7 | 174.4 | 0 | 0 | 0 | 113.8 | L43 L53 I100 Q101 L102 | L43-L104 HydrophobicContact CD1-CD1 3.73Å; L43-L104 HydrophobicContact CD2-CB 4.26Å; L53-L104 HydrophobicContact CB-CD1 4.31Å; L53-L104 HydrophobicContact CB-CD2 4.14Å; L53-L104 HydrophobicContact CD1-CD2 4.19Å; I100-L104 HydrophobicContact CG2-CD1 4.22Å; I100-L104 PolarHBondContact O-N 3.5Å; Q101-L104 CarbonylContact O-C 3.53Å; Q101-L104 PolarHBondContact O-N 3.4Å; Q101-L104 VanDerWaalsContact O-N 3.08Å; L102-L104 PolarHBondContact O-N 3.5Å |
| 105 | I | 83.8 | Confident | 88.3 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | trans | -79.3 | 133.1 | 175.1 | -74.7 | 164.9 | 0 | 0 | 0 | 110.9 | Q101 N107 L110 K111 F158 E161 | Q101-I105 WeakPolarHBondContact O-CG1 3.41Å; Q101-I105 PolarHBondContact O-N 2.85Å; I105-N107 HydrophobicContact CG2-CB 4.19Å; I105-L110 HydrophobicContact CD1-CD2 4.34Å; I105-K111 HydrophobicContact CG2-CB 4.36Å; I105-F158 HydrophobicContact CD1-CD1 3.66Å; I105-F158 HydrophobicContact CD1-CE1 3.43Å; I105-F158 VanDerWaalsContact CD1-CE1 3.43Å; I105-E161 WeakPolarHBondContact CD1-OE2 3Å | ||
| 106 | S | 81.3 | Confident | 88.1 | Confident | 118 Ų | 118 | 60.1 Ų | 60.1 | 83% | 0.825 | 31% | 0.306 | S | S | * | . | trans | -93.6 | -23.6 | 177.8 | -58.6 | 0 | 0 | 0 | 0 | 113.4 | R108 | S106-R108 PolarHBondContact O-N 2.93Š| ||
| 107 | N | 83.6 | Confident | 87.9 | Confident | 81 Ų | 81 | 60.7 Ų | 60.7 | 43% | 0.433 | 30% | 0.304 | S | S | . | . | trans | -71.1 | 114.8 | -179.6 | -174.5 | -30.1 | 0 | 0 | 0 | 110.5 | I105 I109 L110 K111 | I105-N107 HydrophobicContact CG2-CB 4.19Å; N107-I109 PolarHBondContact O-N 2.92Å; N107-I109 PolarHBondContact OD1-N 3.45Å; N107-I109 VanDerWaalsContact OD1-N 3.11Å; N107-L110 HydrophobicContact CB-CB 4.23Å; N107-L110 PolarHBondContact OD1-N 3.45Å; N107-K111 WeakPolarHBondContact O-CB 3.42Å; N107-K111 PolarHBondContact O-N 3.35Å | ||
| 108 | R | 84.8 | Confident | 87.8 | Confident | 198 Ų | 198 | 60 Ų | 60 | 75% | 0.747 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -62.2 | -43.4 | -175.8 | -75.8 | -170.1 | -110.4 | 178.1 | -3.6 | 113.5 | S106 K111 Y112 | S106-R108 PolarHBondContact O-N 2.93Å; R108-K111 PolarHBondContact O-N 3.49Å; R108-Y112 HydrophobicContact CB-CE2 4.38Å; R108-Y112 WeakPolarHBondContact O-CD2 3.21Å; R108-Y112 PolarHBondContact O-N 3.42Å |
| 109 | I | 84.9 | Confident | 87.9 | Confident | 130 Ų | 130 | 62.3 Ų | 62.3 | 67% | 0.667 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -63.4 | -51.4 | -176.7 | -63.6 | 173.1 | 0 | 0 | 0 | 109.3 | N107 K111 Y112 C113 | N107-I109 PolarHBondContact O-N 2.92Å; N107-I109 PolarHBondContact OD1-N 3.45Å; N107-I109 VanDerWaalsContact OD1-N 3.11Å; I109-K111 VanDerWaalsContact C-N 3.27Å; I109-K111 PolarHBondContact O-N 3.23Å; I109-Y112 PolarHBondContact O-N 3.08Å; I109-C113 PolarHBondContact O-N 3.27Å; I109-C113 PolarHBondContact O-SG 3.21Å; I109-C113 VanDerWaalsContact O-SG 3.38Å |
| 110 | L | 82.3 | Confident | 87.9 | Confident | 29 Ų | 29 | 61.9 Ų | 61.9 | 15% | 0.152 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 179.5 | -171.5 | 67.2 | 0 | 0 | 0 | 111.9 | I105 N107 C113 G114 E161 | I105-L110 HydrophobicContact CD1-CD2 4.34Å; N107-L110 HydrophobicContact CB-CB 4.23Å; N107-L110 PolarHBondContact OD1-N 3.45Å; L110-C113 PolarHBondContact O-N 2.89Å; L110-G114 PolarHBondContact O-N 3.16Å; L110-E161 HydrophobicContact CD2-CB 3.83Å; L110-E161 HydrophobicContact CD2-CG 3.52Å; L110-E161 WeakPolarHBondContact CD2-OE1 3.47Å; L110-E161 WeakPolarHBondContact CD2-OE2 3.37Å |
| 111 | K | 86.3 | Confident | 88 | Confident | 55 Ų | 55 | 60.5 Ų | 60.5 | 24% | 0.239 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 175.5 | -172.6 | 167.8 | -171.4 | 155.9 | 0 | 112 | L102 I105 N107 R108 I109 Y115 | L102-K111 WeakPolarHBondContact O-CE 3.36Å; L102-K111 PolarHBondContact O-NZ 2.77Å; I105-K111 HydrophobicContact CG2-CB 4.36Å; N107-K111 WeakPolarHBondContact O-CB 3.42Å; N107-K111 PolarHBondContact O-N 3.35Å; R108-K111 PolarHBondContact O-N 3.49Å; I109-K111 VanDerWaalsContact C-N 3.27Å; I109-K111 PolarHBondContact O-N 3.23Å; K111-Y115 HydrophobicContact CD-CE2 4.01Å; K111-Y115 WeakPolarHBondContact CE-OH 3.44Å; K111-Y115 HydrophobicContact CG-CD2 3.81Å; K111-Y115 HydrophobicContact CG-CE2 3.39Å; K111-Y115 WeakPolarHBondContact O-CB 3.31Å; K111-Y115 WeakPolarHBondContact O-CD2 3.43Å; K111-Y115 PolarHBondContact O-N 2.92Å |
| 112 | Y | 88.2 | Confident | 88.2 | Confident | 164 Ų | 164 | 62.2 Ų | 62.2 | 64% | 0.643 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.9 | -46.4 | 175.4 | -73.8 | -62.5 | 0 | 0 | 0 | 112.8 | R108 I109 G114 Y115 A116 | R108-Y112 HydrophobicContact CB-CE2 4.38Å; R108-Y112 WeakPolarHBondContact O-CD2 3.21Å; R108-Y112 PolarHBondContact O-N 3.42Å; I109-Y112 PolarHBondContact O-N 3.08Å; Y112-G114 VanDerWaalsContact C-N 3.3Å; Y112-G114 PolarHBondContact O-N 3.32Å; Y112-Y115 PolarHBondContact O-N 3.13Å; Y112-A116 PolarHBondContact O-N 3.46Å |
| 113 | C | 86.9 | Confident | 88.5 | Confident | 71 Ų | 71 | 66.5 Ų | 66.5 | 48% | 0.48 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 175.9 | -66.6 | 0 | 0 | 0 | 0 | 111.3 | I109 L110 A116 L117 | I109-C113 PolarHBondContact O-N 3.27Å; I109-C113 PolarHBondContact O-SG 3.21Å; I109-C113 VanDerWaalsContact O-SG 3.38Å; L110-C113 PolarHBondContact O-N 2.89Å; C113-A116 PolarHBondContact O-N 3.11Å; C113-L117 WeakPolarHBondContact O-CB 3.46Å; C113-L117 PolarHBondContact O-N 2.85Å |
| 114 | G | 88.3 | Confident | 88.8 | Confident | 2 Ų | 2 | 63.5 Ų | 63.5 | 2% | 0.021 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.3 | -36 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L102 L110 Y112 L117 C118 | L102-G114 WeakPolarHBondContact CD1-O 3.43Å; L110-G114 PolarHBondContact O-N 3.16Å; Y112-G114 VanDerWaalsContact C-N 3.3Å; Y112-G114 PolarHBondContact O-N 3.32Å; G114-L117 PolarHBondContact O-N 3.45Å; G114-C118 VanDerWaalsContact O-CB 3.28Å; G114-C118 WeakPolarHBondContact O-CB 3.38Å; G114-C118 PolarHBondContact O-N 3.14Å; G114-C118 PolarHBondContact O-SG 2.7Å |
| 115 | Y | 90.6 | Very high | 89.2 | Confident | 67 Ų | 67 | 63.6 Ų | 63.6 | 26% | 0.263 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 170.9 | -82.8 | -48.6 | 0 | 0 | 0 | 111.9 | W99 L102 K111 Y112 L117 S119 | W99-Y115 HydrophobicContact CE3-CD1 4.16Å; W99-Y115 HydrophobicContact CE3-CE1 4.13Å; W99-Y115 HydrophobicContact CH2-CD1 4.18Å; W99-Y115 AromaticContact CZ3-CD1 3.45Å; W99-Y115 HydrophobicContact CZ3-CD1 3.45Å; W99-Y115 VanDerWaalsContact CZ3-CD1 3.45Å; W99-Y115 AromaticContact CZ3-CE1 3.69Å; W99-Y115 HydrophobicContact CZ3-CE1 3.69Å; L102-Y115 HydrophobicContact CB-CD1 4.46Å; L102-Y115 HydrophobicContact CB-CE1 4.07Å; L102-Y115 HydrophobicContact CD1-CD1 3.79Å; L102-Y115 HydrophobicContact CD1-CE1 4.18Å; L102-Y115 HydrophobicContact CD1-CG 4.38Å; K111-Y115 HydrophobicContact CD-CE2 4.01Å; K111-Y115 WeakPolarHBondContact CE-OH 3.44Å; K111-Y115 HydrophobicContact CG-CD2 3.81Å; K111-Y115 HydrophobicContact CG-CE2 3.39Å; K111-Y115 WeakPolarHBondContact O-CB 3.31Å; K111-Y115 WeakPolarHBondContact O-CD2 3.43Å; K111-Y115 PolarHBondContact O-N 2.92Å; Y112-Y115 PolarHBondContact O-N 3.13Å; Y115-L117 VanDerWaalsContact C-N 3.32Å; Y115-L117 PolarHBondContact O-N 3.11Å; Y115-S119 VanDerWaalsContact O-CB 3.26Å; Y115-S119 WeakPolarHBondContact O-CB 3.4Å; Y115-S119 PolarHBondContact O-N 3.39Å; Y115-S119 PolarHBondContact O-OG 3.03Å |
| 116 | A | 91 | Very high | 89.7 | Confident | 59 Ų | 59 | 67.3 Ų | 67.3 | 49% | 0.488 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -58.3 | -48.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Y112 C113 S119 V120 | Y112-A116 PolarHBondContact O-N 3.46Å; C113-A116 PolarHBondContact O-N 3.11Å; A116-S119 WeakPolarHBondContact O-CB 3.49Å; A116-S119 PolarHBondContact O-N 2.89Å; A116-V120 WeakPolarHBondContact O-CG2 3.41Å; A116-V120 PolarHBondContact O-N 2.95Å |
| 117 | L | 89.3 | Confident | 90.2 | Very high | 46 Ų | 46 | 63.8 Ų | 63.8 | 24% | 0.241 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.4 | -40.1 | -175.5 | -163.2 | 51.1 | 0 | 0 | 0 | 113.2 | C113 G114 Y115 S119 V120 C121 L150 L154 L157 | C113-L117 WeakPolarHBondContact O-CB 3.46Å; C113-L117 PolarHBondContact O-N 2.85Å; G114-L117 PolarHBondContact O-N 3.45Å; Y115-L117 VanDerWaalsContact C-N 3.32Å; Y115-L117 PolarHBondContact O-N 3.11Å; L117-S119 VanDerWaalsContact C-N 3.32Å; L117-S119 PolarHBondContact O-N 3.33Å; L117-V120 PolarHBondContact O-N 3.41Å; L117-C121 PolarHBondContact O-N 3.32Å; L117-C121 PolarHBondContact O-SG 3.33Å; L117-L150 HydrophobicContact CD1-CD2 4.02Å; L117-L154 HydrophobicContact CB-CD2 4.11Å; L117-L154 HydrophobicContact CD2-CD1 4.32Å; L117-L154 HydrophobicContact CD2-CD2 3.26Å; L117-L154 HydrophobicContact CD2-CG 3.55Å; L117-L154 HydrophobicContact CG-CD1 3.96Å; L117-L154 HydrophobicContact CG-CD2 3.53Å; L117-L154 HydrophobicContact CG-CG 3.75Å; L117-L157 HydrophobicContact CD2-CD2 4.33Å |
| 118 | C | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.3 | -34.8 | 173 | -69 | 0 | 0 | 0 | 0 | 111.7 | L95 W99 L102 G114 C121 T122 | L95-C118 HydrophobicContact CD1-CB 4.41Å; W99-C118 HydrophobicContact CD2-CB 4.19Å; W99-C118 HydrophobicContact CH2-CB 4.49Å; W99-C118 HydrophobicContact CZ2-CB 3.93Å; L102-C118 HydrophobicContact CD1-CB 3.96Å; L102-C118 VanDerWaalsContact CD1-SG 3.55Å; G114-C118 VanDerWaalsContact O-CB 3.28Å; G114-C118 WeakPolarHBondContact O-CB 3.38Å; G114-C118 PolarHBondContact O-N 3.14Å; G114-C118 PolarHBondContact O-SG 2.7Å; C118-C121 PolarHBondContact O-N 3.45Å; C118-T122 WeakPolarHBondContact O-CB 3.32Å; C118-T122 PolarHBondContact O-N 2.93Å; C118-T122 PolarHBondContact O-OG1 2.84Å |
| 119 | S | 93.9 | Very high | 90.9 | Very high | 51 Ų | 51 | 54.9 Ų | 54.9 | 36% | 0.357 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.7 | -45.5 | 174.4 | -58.2 | 0 | 0 | 0 | 0 | 111 | Y115 A116 L117 C121 T122 V123 | Y115-S119 VanDerWaalsContact O-CB 3.26Å; Y115-S119 WeakPolarHBondContact O-CB 3.4Å; Y115-S119 PolarHBondContact O-N 3.39Å; Y115-S119 PolarHBondContact O-OG 3.03Å; A116-S119 WeakPolarHBondContact O-CB 3.49Å; A116-S119 PolarHBondContact O-N 2.89Å; L117-S119 VanDerWaalsContact C-N 3.32Å; L117-S119 PolarHBondContact O-N 3.33Å; S119-C121 VanDerWaalsContact C-N 3.34Å; S119-C121 PolarHBondContact O-N 2.94Å; S119-T122 WeakPolarHBondContact O-CB 2.88Å; S119-T122 PolarHBondContact O-N 3.24Å; S119-V123 WeakPolarHBondContact O-CG2 3.33Å; S119-V123 PolarHBondContact O-N 3.39Å |
| 120 | V | 93.5 | Very high | 91.2 | Very high | 73 Ų | 73 | 50.4 Ų | 50.4 | 44% | 0.442 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -58.4 | -46.3 | 173.8 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | A116 L117 T122 V123 L124 L150 | A116-V120 WeakPolarHBondContact O-CG2 3.41Å; A116-V120 PolarHBondContact O-N 2.95Å; L117-V120 PolarHBondContact O-N 3.41Å; V120-T122 VanDerWaalsContact C-N 3.31Å; V120-T122 PolarHBondContact O-N 3.45Å; V120-V123 PolarHBondContact O-N 2.85Å; V120-L124 HydrophobicContact CG1-CD1 3.9Å; V120-L124 HydrophobicContact CG1-CG 4.35Å; V120-L124 WeakPolarHBondContact O-CB 3.49Å; V120-L124 WeakPolarHBondContact O-CG 3.44Å; V120-L124 PolarHBondContact O-N 3.42Å; V120-L150 HydrophobicContact CG1-CD1 4.07Å |
| 121 | C | 93.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.7 | -37.8 | 177.7 | -67.3 | 0 | 0 | 0 | 0 | 112.7 | L95 L117 C118 S119 L124 L125 L147 F151 L154 | L95-C121 HydrophobicContact CD1-CB 3.79Å; L117-C121 PolarHBondContact O-N 3.32Å; L117-C121 PolarHBondContact O-SG 3.33Å; C118-C121 PolarHBondContact O-N 3.45Å; S119-C121 VanDerWaalsContact C-N 3.34Å; S119-C121 PolarHBondContact O-N 2.94Å; C121-L124 PolarHBondContact O-N 3.22Å; C121-L125 WeakPolarHBondContact O-CB 3.41Å; C121-L125 PolarHBondContact O-N 3.27Å; C121-L147 HydrophobicContact CB-CD1 3.85Å; C121-F151 HydrophobicContact CB-CE2 4.19Å; C121-L154 WeakPolarHBondContact SG-CD1 2.97Å |
| 122 | T | 94.8 | Very high | 91.6 | Very high | 42 Ų | 42 | 53.1 Ų | 53.1 | 26% | 0.258 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 175.9 | -53.4 | 0 | 0 | 0 | 0 | 110.9 | L95 W99 C118 S119 V120 L124 L125 C126 | L95-T122 HydrophobicContact CD2-CG2 4.42Å; W99-T122 PolarHBondContact NE1-OG1 3.32Å; C118-T122 WeakPolarHBondContact O-CB 3.32Å; C118-T122 PolarHBondContact O-N 2.93Å; C118-T122 PolarHBondContact O-OG1 2.84Å; S119-T122 WeakPolarHBondContact O-CB 2.88Å; S119-T122 PolarHBondContact O-N 3.24Å; V120-T122 VanDerWaalsContact C-N 3.31Å; V120-T122 PolarHBondContact O-N 3.45Å; T122-L124 VanDerWaalsContact C-N 3.35Å; T122-L124 PolarHBondContact O-N 2.98Å; T122-L125 PolarHBondContact O-N 3.08Å; T122-C126 PolarHBondContact O-N 3.05Å; T122-C126 PolarHBondContact O-SG 3.26Å; T122-C126 VanDerWaalsContact O-SG 3.33Å |
| 123 | V | 95.4 | Very high | 91.7 | Very high | 90 Ų | 90 | 52.4 Ų | 52.4 | 55% | 0.545 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 176.6 | 172.2 | 0 | 0 | 0 | 0 | 110.7 | S119 V120 L125 C126 C127 | S119-V123 WeakPolarHBondContact O-CG2 3.33Å; S119-V123 PolarHBondContact O-N 3.39Å; V120-V123 PolarHBondContact O-N 2.85Å; V123-L125 PolarHBondContact O-N 3.22Å; V123-C126 PolarHBondContact O-N 3.48Å; V123-C127 WeakPolarHBondContact O-CB 3.06Å; V123-C127 PolarHBondContact O-N 2.89Å; V123-C127 PolarHBondContact O-SG 2.84Å |
| 124 | L | 94.1 | Very high | 91.8 | Very high | 30 Ų | 30 | 52 Ų | 52 | 16% | 0.157 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.6 | -41.2 | 177.7 | -73.5 | 171.5 | 0 | 0 | 0 | 112.4 | V120 C121 T122 C127 L128 T146 L147 L150 | V120-L124 HydrophobicContact CG1-CD1 3.9Å; V120-L124 HydrophobicContact CG1-CG 4.35Å; V120-L124 WeakPolarHBondContact O-CB 3.49Å; V120-L124 WeakPolarHBondContact O-CG 3.44Å; V120-L124 PolarHBondContact O-N 3.42Å; C121-L124 PolarHBondContact O-N 3.22Å; T122-L124 VanDerWaalsContact C-N 3.35Å; T122-L124 PolarHBondContact O-N 2.98Å; L124-C127 PolarHBondContact O-N 3.45Å; L124-L128 VanDerWaalsContact O-CB 3.3Å; L124-L128 WeakPolarHBondContact O-CB 3.29Å; L124-L128 PolarHBondContact O-N 2.97Å; L124-T146 HydrophobicContact CD1-CG2 3.73Å; L124-T146 HydrophobicContact CD2-CG2 4.47Å; L124-L147 HydrophobicContact CB-CD1 4.21Å; L124-L150 HydrophobicContact CD1-CD1 3.54Å |
| 125 | L | 94.1 | Very high | 91.8 | Very high | 23 Ų | 23 | 61.1 Ų | 61.1 | 12% | 0.12 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -65.1 | -44.2 | 176.3 | -176.8 | 62.4 | 0 | 0 | 0 | 111.5 | F91 A92 L95 C121 T122 V123 L128 V129 L147 | F91-L125 HydrophobicContact CB-CD1 4.1Å; A92-L125 HydrophobicContact CB-CD2 4.16Å; L95-L125 HydrophobicContact CD2-CD2 3.9Å; C121-L125 WeakPolarHBondContact O-CB 3.41Å; C121-L125 PolarHBondContact O-N 3.27Å; T122-L125 PolarHBondContact O-N 3.08Å; V123-L125 PolarHBondContact O-N 3.22Å; L125-L128 WeakPolarHBondContact O-CB 2.94Å; L125-L128 PolarHBondContact O-N 3.14Å; L125-V129 WeakPolarHBondContact O-CG2 3.45Å; L125-V129 PolarHBondContact O-N 3.2Å; L125-L147 HydrophobicContact CB-CD2 4.13Å; L125-L147 HydrophobicContact CD1-CD2 3.9Å |
| 126 | C | 94.4 | Very high | 91.7 | Very high | 84 Ų | 84 | 65.6 Ų | 65.6 | 57% | 0.568 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.9 | -44.3 | 174.6 | -68.7 | 0 | 0 | 0 | 0 | 111.9 | T122 V123 V129 G130 | T122-C126 PolarHBondContact O-N 3.05Å; T122-C126 PolarHBondContact O-SG 3.26Å; T122-C126 VanDerWaalsContact O-SG 3.33Å; V123-C126 PolarHBondContact O-N 3.48Å; C126-V129 PolarHBondContact O-N 2.89Å; C126-G130 PolarHBondContact O-N 3.33Å |
| 127 | C | 93.2 | Very high | 91.3 | Very high | 45 Ų | 45 | 68.6 Ų | 68.6 | 30% | 0.304 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 175.7 | -74 | 0 | 0 | 0 | 0 | 111.7 | V123 L124 V129 G130 F131 | V123-C127 WeakPolarHBondContact O-CB 3.06Å; V123-C127 PolarHBondContact O-N 2.89Å; V123-C127 PolarHBondContact O-SG 2.84Å; L124-C127 PolarHBondContact O-N 3.45Å; C127-V129 PolarHBondContact O-N 3.41Å; C127-G130 PolarHBondContact O-N 3.19Å; C127-F131 HydrophobicContact CB-CD2 4.27Å; C127-F131 HydrophobicContact CB-CE2 3.95Å; C127-F131 VanDerWaalsContact O-CB 3.31Å; C127-F131 WeakPolarHBondContact O-CB 3.34Å; C127-F131 WeakPolarHBondContact O-CD2 3.25Å; C127-F131 WeakPolarHBondContact O-CG 3.31Å; C127-F131 PolarHBondContact O-N 3.35Å |
| 128 | L | 90.9 | Very high | 90.9 | Very high | 30 Ų | 30 | 73 Ų | 73 | 16% | 0.157 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -57.8 | -50.1 | 176.3 | 177.8 | 134.7 | 0 | 0 | 0 | 111.2 | L124 L125 H132 C143 E144 | L124-L128 VanDerWaalsContact O-CB 3.3Å; L124-L128 WeakPolarHBondContact O-CB 3.29Å; L124-L128 PolarHBondContact O-N 2.97Å; L125-L128 WeakPolarHBondContact O-CB 2.94Å; L125-L128 PolarHBondContact O-N 3.14Å; L128-H132 VanDerWaalsContact O-CB 3.28Å; L128-H132 WeakPolarHBondContact O-CB 3.19Å; L128-H132 PolarHBondContact O-N 2.94Å; L128-C143 HydrophobicContact CB-CB 3.89Å; L128-C143 HydrophobicContact CD1-CB 4.29Å; L128-E144 VanDerWaalsContact CD1-CA 3.48Å; L128-E144 HydrophobicContact CD1-CB 3.49Å; L128-E144 VanDerWaalsContact CD1-CB 3.49Å; L128-E144 HydrophobicContact CD1-CG 4Å |
| 129 | V | 91 | Very high | 90.5 | Very high | 61 Ų | 61 | 74.3 Ų | 74.3 | 37% | 0.37 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -61.5 | -47.4 | 177.3 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | L125 C126 C127 H132 H133 | L125-V129 WeakPolarHBondContact O-CG2 3.45Å; L125-V129 PolarHBondContact O-N 3.2Å; C126-V129 PolarHBondContact O-N 2.89Å; C127-V129 PolarHBondContact O-N 3.41Å; V129-H132 PolarHBondContact O-N 3.45Å; V129-H133 PolarHBondContact O-CD2 2.99Å; V129-H133 VanDerWaalsContact O-CD2 3.24Å; V129-H133 PolarHBondContact O-N 3.3Å |
| 130 | G | 90.9 | Very high | 90 | Very high | 37 Ų | 37 | 72.1 Ų | 72.1 | 38% | 0.381 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | C126 C127 H132 H133 A134 | C126-G130 PolarHBondContact O-N 3.33Å; C127-G130 PolarHBondContact O-N 3.19Å; G130-H132 VanDerWaalsContact C-N 3.35Å; G130-H133 PolarHBondContact O-N 3.44Å; G130-A134 WeakPolarHBondContact O-CB 3.48Å; G130-A134 PolarHBondContact O-N 3.47Å |
| 131 | F | 91 | Very high | 89.4 | Confident | 61 Ų | 61 | 68.9 Ų | 68.9 | 27% | 0.268 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -67.4 | -35.5 | 177.2 | -67 | -32.2 | 0 | 0 | 0 | 112.3 | C127 A134 R135 R136 A139 A140 | C127-F131 HydrophobicContact CB-CD2 4.27Å; C127-F131 HydrophobicContact CB-CE2 3.95Å; C127-F131 VanDerWaalsContact O-CB 3.31Å; C127-F131 WeakPolarHBondContact O-CB 3.34Å; C127-F131 WeakPolarHBondContact O-CD2 3.25Å; C127-F131 WeakPolarHBondContact O-CG 3.31Å; C127-F131 PolarHBondContact O-N 3.35Å; F131-A134 CarbonylContact O-C 3.39Å; F131-A134 PolarHBondContact O-N 2.99Å; F131-R135 PolarHBondContact O-N 3.33Å; F131-R135 VanDerWaalsContact O-N 3.14Å; F131-R136 HydrophobicContact CB-CB 4.19Å; F131-R136 HydrophobicContact CD1-CB 4.45Å; F131-R136 PolarHBondContact O-N 3.06Å; F131-A139 HydrophobicContact CB-CB 4.29Å; F131-A139 HydrophobicContact CD1-CB 4.26Å; F131-A139 HydrophobicContact CD2-CB 3.49Å; F131-A139 VanDerWaalsContact CD2-CB 3.49Å; F131-A139 HydrophobicContact CE1-CB 4.5Å; F131-A139 HydrophobicContact CE2-CB 3.77Å; F131-A139 HydrophobicContact CG-CB 3.77Å; F131-A139 HydrophobicContact CZ-CB 4.27Å; F131-A140 HydrophobicContact CB-CB 3.99Å |
| 132 | H | 87 | Confident | 88.9 | Confident | 80 Ų | 80 | 73.8 Ų | 73.8 | 37% | 0.37 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 173.2 | -172.7 | -89.5 | 0 | 0 | 0 | 111.3 | L128 V129 G130 A134 R135 | L128-H132 VanDerWaalsContact O-CB 3.28Å; L128-H132 WeakPolarHBondContact O-CB 3.19Å; L128-H132 PolarHBondContact O-N 2.94Å; V129-H132 PolarHBondContact O-N 3.45Å; G130-H132 VanDerWaalsContact C-N 3.35Å; H132-A134 PolarHBondContact O-N 3.45Å; H132-R135 PolarHBondContact O-N 3.16Å; H132-R135 VanDerWaalsContact O-N 3.12Å |
| 133 | H | 89.6 | Confident | 88.6 | Confident | 149 Ų | 149 | 72.3 Ų | 72.3 | 69% | 0.69 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -62.8 | -39.8 | 174.4 | -83.3 | -71.7 | 0 | 0 | 0 | 112.9 | V129 G130 R135 | V129-H133 PolarHBondContact O-CD2 2.99Å; V129-H133 VanDerWaalsContact O-CD2 3.24Å; V129-H133 PolarHBondContact O-N 3.3Å; G130-H133 PolarHBondContact O-N 3.44Å; H133-R135 PolarHBondContact O-N 2.71Å |
| 134 | A | 90.2 | Very high | 88.2 | Confident | 61 Ų | 61 | 69.1 Ų | 69.1 | 50% | 0.504 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | 4.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G130 F131 H132 R136 | G130-A134 WeakPolarHBondContact O-CB 3.48Å; G130-A134 PolarHBondContact O-N 3.47Å; F131-A134 CarbonylContact O-C 3.39Å; F131-A134 PolarHBondContact O-N 2.99Å; H132-A134 PolarHBondContact O-N 3.45Å; A134-R136 HydrophobicContact CB-CG 4.23Å; A134-R136 PolarHBondContact O-N 2.96Å; A134-R136 VanDerWaalsContact O-N 3.15Å |
| 135 | R | 87.9 | Confident | 87.7 | Confident | 194 Ų | 194 | 72.2 Ų | 72.2 | 73% | 0.732 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.5 | 27.5 | -175.6 | -56 | -170.4 | 178.6 | -170.2 | -0.3 | 114 | F131 H132 H133 Y137 | F131-R135 PolarHBondContact O-N 3.33Å; F131-R135 VanDerWaalsContact O-N 3.14Å; H132-R135 PolarHBondContact O-N 3.16Å; H132-R135 VanDerWaalsContact O-N 3.12Å; H133-R135 PolarHBondContact O-N 2.71Å; R135-Y137 VanDerWaalsContact C-N 3.33Å; R135-Y137 HydrophobicContact CB-CE2 4Å; R135-Y137 WeakPolarHBondContact O-CD2 3.35Å; R135-Y137 PolarHBondContact O-N 3.05Å |
| 136 | R | 88 | Confident | 87.3 | Confident | 162 Ų | 162 | 73.9 Ų | 73.9 | 61% | 0.611 | 37% | 0.372 | S | S | * | . | trans | -90.2 | 67.4 | 174.6 | -67.4 | -172 | 175.5 | -179 | -0.6 | 110.2 | F131 A134 H138 A139 A140 | F131-R136 HydrophobicContact CB-CB 4.19Å; F131-R136 HydrophobicContact CD1-CB 4.45Å; F131-R136 PolarHBondContact O-N 3.06Å; A134-R136 HydrophobicContact CB-CG 4.23Å; A134-R136 PolarHBondContact O-N 2.96Å; A134-R136 VanDerWaalsContact O-N 3.15Å; R136-H138 VanDerWaalsContact C-N 3.26Å; R136-H138 PolarHBondContact O-N 3.11Å; R136-A139 HydrophobicContact CB-CB 4.32Å; R136-A139 PolarHBondContact O-N 3.34Å; R136-A139 VanDerWaalsContact O-N 3.14Å; R136-A140 PolarHBondContact O-N 3.09Å | ||
| 137 | Y | 82.2 | Confident | 87 | Confident | 121 Ų | 121 | 69.9 Ų | 69.9 | 48% | 0.475 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.9 | -32.7 | -171.4 | -56.7 | -62.7 | 0 | 0 | 0 | 114 | R135 A140 A141 | R135-Y137 VanDerWaalsContact C-N 3.33Å; R135-Y137 HydrophobicContact CB-CE2 4Å; R135-Y137 WeakPolarHBondContact O-CD2 3.35Å; R135-Y137 PolarHBondContact O-N 3.05Å; Y137-A140 PolarHBondContact O-N 2.69Å; Y137-A141 WeakPolarHBondContact O-CB 3.48Å; Y137-A141 PolarHBondContact O-N 3.26Å |
| 138 | H | 81.3 | Confident | 86.7 | Confident | 138 Ų | 138 | 68.3 Ų | 68.3 | 64% | 0.639 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -64.8 | -45.2 | 176.4 | -57.6 | -62.7 | 0 | 0 | 0 | 112.7 | R136 A141 I142 | R136-H138 VanDerWaalsContact C-N 3.26Å; R136-H138 PolarHBondContact O-N 3.11Å; H138-A141 PolarHBondContact O-N 3.48Å; H138-I142 WeakPolarHBondContact O-CG1 3.4Å; H138-I142 PolarHBondContact O-N 3.41Å |
| 139 | A | 82.9 | Confident | 86.4 | Confident | 28 Ų | 28 | 70.3 Ų | 70.3 | 23% | 0.231 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -68.4 | -39 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | F131 R136 A141 I142 C143 | F131-A139 HydrophobicContact CB-CB 4.29Å; F131-A139 HydrophobicContact CD1-CB 4.26Å; F131-A139 HydrophobicContact CD2-CB 3.49Å; F131-A139 VanDerWaalsContact CD2-CB 3.49Å; F131-A139 HydrophobicContact CE1-CB 4.5Å; F131-A139 HydrophobicContact CE2-CB 3.77Å; F131-A139 HydrophobicContact CG-CB 3.77Å; F131-A139 HydrophobicContact CZ-CB 4.27Å; R136-A139 HydrophobicContact CB-CB 4.32Å; R136-A139 PolarHBondContact O-N 3.34Å; R136-A139 VanDerWaalsContact O-N 3.14Å; A139-A141 VanDerWaalsContact C-N 3.34Å; A139-A141 PolarHBondContact O-N 2.73Å; A139-I142 PolarHBondContact O-N 2.87Å; A139-C143 PolarHBondContact O-N 2.92Å; A139-C143 PolarHBondContact O-SG 3.23Å; A139-C143 VanDerWaalsContact O-SG 3.4Å |
| 140 | A | 85 | Confident | 86.2 | Confident | 6 Ų | 6 | 69 Ų | 69 | 5% | 0.05 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | F131 R136 Y137 I142 C143 E144 | F131-A140 HydrophobicContact CB-CB 3.99Å; R136-A140 PolarHBondContact O-N 3.09Å; Y137-A140 PolarHBondContact O-N 2.69Å; A140-I142 PolarHBondContact O-N 3.28Å; A140-C143 PolarHBondContact O-N 3.18Å; A140-E144 PolarHBondContact O-N 3.29Å |
| 141 | A | 80.1 | Confident | 85.9 | Confident | 4 Ų | 4 | 68.1 Ų | 68.1 | 3% | 0.033 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60 | -46 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | V7 Y137 H138 A139 C143 E144 W145 | V7-A141 HydrophobicContact CB-CB 4.34Å; V7-A141 HydrophobicContact CG2-CB 3.63Å; Y137-A141 WeakPolarHBondContact O-CB 3.48Å; Y137-A141 PolarHBondContact O-N 3.26Å; H138-A141 PolarHBondContact O-N 3.48Å; A139-A141 VanDerWaalsContact C-N 3.34Å; A139-A141 PolarHBondContact O-N 2.73Å; A141-C143 VanDerWaalsContact C-N 3.33Å; A141-C143 PolarHBondContact O-N 3.45Å; A141-E144 PolarHBondContact O-N 3.33Å; A141-E144 VanDerWaalsContact O-N 3.16Å; A141-W145 VanDerWaalsContact O-CD1 3.25Å; A141-W145 PolarHBondContact O-N 2.9Å |
| 142 | I | 83.5 | Confident | 85.3 | Confident | 104 Ų | 104 | 69.9 Ų | 69.9 | 53% | 0.533 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 177.3 | -64.6 | 166.6 | 0 | 0 | 0 | 110.6 | H138 A139 A140 E144 T146 | H138-I142 WeakPolarHBondContact O-CG1 3.4Å; H138-I142 PolarHBondContact O-N 3.41Å; A139-I142 PolarHBondContact O-N 2.87Å; A140-I142 PolarHBondContact O-N 3.28Å; I142-E144 VanDerWaalsContact C-N 3.31Å; I142-E144 PolarHBondContact O-N 2.97Å; I142-T146 WeakPolarHBondContact O-CB 3.34Å; I142-T146 PolarHBondContact O-N 3.16Å; I142-T146 PolarHBondContact O-OG1 3.41Å |
| 143 | C | 87.6 | Confident | 84.8 | Confident | 10 Ų | 10 | 71.4 Ų | 71.4 | 7% | 0.068 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 175.6 | -68.1 | 0 | 0 | 0 | 0 | 111.8 | L128 A139 A140 A141 T146 L147 | L128-C143 HydrophobicContact CB-CB 3.89Å; L128-C143 HydrophobicContact CD1-CB 4.29Å; A139-C143 PolarHBondContact O-N 2.92Å; A139-C143 PolarHBondContact O-SG 3.23Å; A139-C143 VanDerWaalsContact O-SG 3.4Å; A140-C143 PolarHBondContact O-N 3.18Å; A141-C143 VanDerWaalsContact C-N 3.33Å; A141-C143 PolarHBondContact O-N 3.45Å; C143-T146 PolarHBondContact O-N 3.15Å; C143-L147 WeakPolarHBondContact O-CB 3.25Å; C143-L147 PolarHBondContact O-N 2.87Å |
| 144 | E | 87 | Confident | 84.1 | Confident | 24 Ų | 24 | 64.3 Ų | 64.3 | 11% | 0.112 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64.9 | -49.5 | -179.8 | -166.8 | 176.1 | 130.7 | 0 | 0 | 111.7 | V7 V8 F91 L128 A140 A141 I142 T146 L147 A148 | V7-E144 HydrophobicContact CG1-CG 4.48Å; V7-E144 WeakPolarHBondContact CG1-OE1 3.41Å; V7-E144 WeakPolarHBondContact CG1-OE2 3.27Å; V8-E144 HydrophobicContact CG2-CG 4.35Å; F91-E144 HydrophobicContact CE2-CG 4.46Å; L128-E144 VanDerWaalsContact CD1-CA 3.48Å; L128-E144 HydrophobicContact CD1-CB 3.49Å; L128-E144 VanDerWaalsContact CD1-CB 3.49Å; L128-E144 HydrophobicContact CD1-CG 4Å; A140-E144 PolarHBondContact O-N 3.29Å; A141-E144 PolarHBondContact O-N 3.33Å; A141-E144 VanDerWaalsContact O-N 3.16Å; I142-E144 VanDerWaalsContact C-N 3.31Å; I142-E144 PolarHBondContact O-N 2.97Å; E144-T146 VanDerWaalsContact C-N 3.34Å; E144-T146 PolarHBondContact O-N 3.45Å; E144-L147 PolarHBondContact O-N 3.32Å; E144-A148 VanDerWaalsContact O-CB 3.31Å; E144-A148 WeakPolarHBondContact O-CB 3.42Å; E144-A148 PolarHBondContact O-N 3.13Å |
| 145 | W | 83.2 | Confident | 83.3 | Confident | 95 Ų | 95 | 62.9 Ų | 62.9 | 36% | 0.36 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -56.6 | -50.1 | 176.2 | -87.3 | 93.2 | 0 | 0 | 0 | 111.3 | P6 V8 C11 A141 L147 A148 T149 | P6-W145 PolarHBondContact O-NE1 2.9Å; V8-W145 HydrophobicContact CB-CD2 4.42Å; V8-W145 HydrophobicContact CB-CZ2 4.3Å; V8-W145 HydrophobicContact CG2-CB 4.09Å; V8-W145 HydrophobicContact CG2-CD2 3.34Å; V8-W145 VanDerWaalsContact CG2-CE2 3.44Å; V8-W145 HydrophobicContact CG2-CE3 3.89Å; V8-W145 HydrophobicContact CG2-CG 3.43Å; V8-W145 VanDerWaalsContact CG2-CG 3.43Å; V8-W145 HydrophobicContact CG2-CZ2 4.05Å; V8-W145 HydrophobicContact CG2-CZ3 4.45Å; C11-W145 HydrophobicContact CB-CZ2 4.13Å; A141-W145 VanDerWaalsContact O-CD1 3.25Å; A141-W145 PolarHBondContact O-N 2.9Å; W145-L147 VanDerWaalsContact C-N 3.35Å; W145-L147 PolarHBondContact O-N 2.95Å; W145-A148 PolarHBondContact O-N 3.28Å; W145-T149 WeakPolarHBondContact O-CB 3.32Å; W145-T149 PolarHBondContact O-N 3.1Å; W145-T149 PolarHBondContact O-OG1 2.61Å |
| 146 | T | 86.4 | Confident | 82.3 | Confident | 57 Ų | 57 | 56 Ų | 56 | 35% | 0.35 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.2 | -44.9 | -179.6 | -49.6 | 0 | 0 | 0 | 0 | 110.9 | L124 I142 C143 E144 T149 L150 | L124-T146 HydrophobicContact CD1-CG2 3.73Å; L124-T146 HydrophobicContact CD2-CG2 4.47Å; I142-T146 WeakPolarHBondContact O-CB 3.34Å; I142-T146 PolarHBondContact O-N 3.16Å; I142-T146 PolarHBondContact O-OG1 3.41Å; C143-T146 PolarHBondContact O-N 3.15Å; E144-T146 VanDerWaalsContact C-N 3.34Å; E144-T146 PolarHBondContact O-N 3.45Å; T146-T149 PolarHBondContact O-N 3.35Å; T146-L150 HydrophobicContact CG2-CD1 4.12Å; T146-L150 HydrophobicContact CG2-CG 4.44Å; T146-L150 WeakPolarHBondContact O-CB 3.48Å; T146-L150 WeakPolarHBondContact O-CG 3.41Å; T146-L150 PolarHBondContact O-N 2.87Å |
| 147 | L | 88.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.3 | -45.2 | 180 | -174.5 | 65.7 | 0 | 0 | 0 | 111.7 | F91 C121 L124 L125 C143 E144 W145 L150 F151 | F91-L147 HydrophobicContact CB-CD2 4.09Å; F91-L147 HydrophobicContact CD1-CD2 3.97Å; F91-L147 HydrophobicContact CD1-CG 4.07Å; F91-L147 HydrophobicContact CD2-CD2 4.12Å; F91-L147 HydrophobicContact CE1-CD2 4.45Å; F91-L147 HydrophobicContact CE1-CG 4.31Å; F91-L147 HydrophobicContact CG-CD2 3.8Å; F91-L147 HydrophobicContact CG-CG 4.42Å; C121-L147 HydrophobicContact CB-CD1 3.85Å; L124-L147 HydrophobicContact CB-CD1 4.21Å; L125-L147 HydrophobicContact CB-CD2 4.13Å; L125-L147 HydrophobicContact CD1-CD2 3.9Å; C143-L147 WeakPolarHBondContact O-CB 3.25Å; C143-L147 PolarHBondContact O-N 2.87Å; E144-L147 PolarHBondContact O-N 3.32Å; W145-L147 VanDerWaalsContact C-N 3.35Å; W145-L147 PolarHBondContact O-N 2.95Å; L147-L150 PolarHBondContact O-N 3.18Å; L147-F151 HydrophobicContact CD1-CD2 3.94Å; L147-F151 HydrophobicContact CD1-CE2 3.72Å; L147-F151 HydrophobicContact CG-CD2 4.23Å; L147-F151 HydrophobicContact CG-CE2 4.26Å; L147-F151 WeakPolarHBondContact O-CD2 3.41Å; L147-F151 PolarHBondContact O-N 3.17Å |
| 148 | A | 87.5 | Confident | 80.6 | Confident | 13 Ų | 13 | 47.2 Ų | 47.2 | 11% | 0.107 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.4 | -49.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | V8 F91 E144 W145 L150 F151 F152 | V8-A148 HydrophobicContact CG2-CB 4.45Å; F91-A148 HydrophobicContact CE1-CB 4.27Å; F91-A148 HydrophobicContact CZ-CB 4.07Å; E144-A148 VanDerWaalsContact O-CB 3.31Å; E144-A148 WeakPolarHBondContact O-CB 3.42Å; E144-A148 PolarHBondContact O-N 3.13Å; W145-A148 PolarHBondContact O-N 3.28Å; A148-L150 VanDerWaalsContact C-N 3.34Å; A148-L150 PolarHBondContact O-N 2.77Å; A148-F151 PolarHBondContact O-N 3.43Å; A148-F152 VanDerWaalsContact O-CD2 3.25Å; A148-F152 WeakPolarHBondContact O-CD2 3.42Å; A148-F152 PolarHBondContact O-N 3.1Å |
| 149 | T | 84.4 | Confident | 79.9 | Confident | 72 Ų | 72 | 41.8 Ų | 41.8 | 44% | 0.442 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -60.4 | -43.6 | 177.6 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | W145 T146 F151 F152 L153 | W145-T149 WeakPolarHBondContact O-CB 3.32Å; W145-T149 PolarHBondContact O-N 3.1Å; W145-T149 PolarHBondContact O-OG1 2.61Å; T146-T149 PolarHBondContact O-N 3.35Å; T149-F151 VanDerWaalsContact C-N 3.34Å; T149-F151 PolarHBondContact O-N 3.24Å; T149-F152 PolarHBondContact O-N 3.32Å; T149-L153 HydrophobicContact CG2-CD1 4.17Å; T149-L153 WeakPolarHBondContact O-CG 3.09Å; T149-L153 PolarHBondContact O-N 2.82Å; T149-L153 VanDerWaalsContact O-N 3.11Å |
| 150 | L | 85.6 | Confident | 78.8 | Confident | 34 Ų | 34 | 47.3 Ų | 47.3 | 18% | 0.178 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | 177.2 | -74.9 | 178 | 0 | 0 | 0 | 112.1 | L117 V120 L124 T146 L147 A148 L153 L154 | L117-L150 HydrophobicContact CD1-CD2 4.02Å; V120-L150 HydrophobicContact CG1-CD1 4.07Å; L124-L150 HydrophobicContact CD1-CD1 3.54Å; T146-L150 HydrophobicContact CG2-CD1 4.12Å; T146-L150 HydrophobicContact CG2-CG 4.44Å; T146-L150 WeakPolarHBondContact O-CB 3.48Å; T146-L150 WeakPolarHBondContact O-CG 3.41Å; T146-L150 PolarHBondContact O-N 2.87Å; L147-L150 PolarHBondContact O-N 3.18Å; A148-L150 VanDerWaalsContact C-N 3.34Å; A148-L150 PolarHBondContact O-N 2.77Å; L150-L153 PolarHBondContact O-N 3.07Å; L150-L154 WeakPolarHBondContact O-CB 3.46Å; L150-L154 WeakPolarHBondContact O-CG 3.45Å; L150-L154 PolarHBondContact O-N 2.85Å |
| 151 | F | 84.4 | Confident | 77.8 | Confident | 18 Ų | 18 | 48.7 Ų | 48.7 | 8% | 0.079 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.2 | -97.9 | -116 | 0 | 0 | 0 | 112.5 | F91 L95 C121 L147 A148 T149 L153 L154 Y155 | F91-F151 HydrophobicContact CD1-CD1 4.37Å; F91-F151 HydrophobicContact CD1-CD2 4.43Å; F91-F151 HydrophobicContact CD1-CE1 4.45Å; F91-F151 HydrophobicContact CD1-CG 4.34Å; F91-F151 VanDerWaalsContact O-CZ 3.31Å; F91-F151 WeakPolarHBondContact O-CZ 3.14Å; L95-F151 HydrophobicContact CB-CZ 3.92Å; C121-F151 HydrophobicContact CB-CE2 4.19Å; L147-F151 HydrophobicContact CD1-CD2 3.94Å; L147-F151 HydrophobicContact CD1-CE2 3.72Å; L147-F151 HydrophobicContact CG-CD2 4.23Å; L147-F151 HydrophobicContact CG-CE2 4.26Å; L147-F151 WeakPolarHBondContact O-CD2 3.41Å; L147-F151 PolarHBondContact O-N 3.17Å; A148-F151 PolarHBondContact O-N 3.43Å; T149-F151 VanDerWaalsContact C-N 3.34Å; T149-F151 PolarHBondContact O-N 3.24Å; F151-L153 PolarHBondContact O-N 3.26Å; F151-L154 PolarHBondContact O-N 2.6Å; F151-Y155 HydrophobicContact CD1-CE2 4.47Å; F151-Y155 PolarHBondContact O-N 3.07Å |
| 152 | F | 79.1 | Confident | 76.7 | Confident | 97 Ų | 97 | 51.3 Ų | 51.3 | 43% | 0.425 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.2 | -27.4 | 175.8 | -84.1 | -70.1 | 0 | 0 | 0 | 113.1 | V24 A148 T149 P156 | V24-F152 HydrophobicContact CG1-CE1 4.07Å; V24-F152 HydrophobicContact CG1-CZ 3.79Å; A148-F152 VanDerWaalsContact O-CD2 3.25Å; A148-F152 WeakPolarHBondContact O-CD2 3.42Å; A148-F152 PolarHBondContact O-N 3.1Å; T149-F152 PolarHBondContact O-N 3.32Å; F152-P156 WeakPolarHBondContact O-CD 3.23Å; F152-P156 WeakPolarHBondContact O-CG 3.44Å |
| 153 | L | 76.4 | Confident | 75.3 | Confident | 113 Ų | 113 | 49.1 Ų | 49.1 | 59% | 0.592 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -86.5 | -35.8 | 175.2 | -65.3 | 173.9 | 0 | 0 | 0 | 112.9 | T149 L150 F151 P156 L157 | T149-L153 HydrophobicContact CG2-CD1 4.17Å; T149-L153 WeakPolarHBondContact O-CG 3.09Å; T149-L153 PolarHBondContact O-N 2.82Å; T149-L153 VanDerWaalsContact O-N 3.11Å; L150-L153 PolarHBondContact O-N 3.07Å; F151-L153 PolarHBondContact O-N 3.26Å; L153-P156 WeakPolarHBondContact O-CD 3.33Å; L153-L157 PolarHBondContact O-N 2.89Å |
| 154 | L | 74.1 | Confident | 73.7 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.6 | -49.3 | -179.9 | -94.7 | 163.8 | 0 | 0 | 0 | 112.3 | L98 L117 C121 L150 F151 L157 F158 | L98-L154 HydrophobicContact CD1-CB 4.41Å; L98-L154 HydrophobicContact CD1-CD1 4.16Å; L98-L154 HydrophobicContact CD1-CD2 4.49Å; L117-L154 HydrophobicContact CB-CD2 4.11Å; L117-L154 HydrophobicContact CD2-CD1 4.32Å; L117-L154 HydrophobicContact CD2-CD2 3.26Å; L117-L154 HydrophobicContact CD2-CG 3.55Å; L117-L154 HydrophobicContact CG-CD1 3.96Å; L117-L154 HydrophobicContact CG-CD2 3.53Å; L117-L154 HydrophobicContact CG-CG 3.75Å; C121-L154 WeakPolarHBondContact SG-CD1 2.97Å; L150-L154 WeakPolarHBondContact O-CB 3.46Å; L150-L154 WeakPolarHBondContact O-CG 3.45Å; L150-L154 PolarHBondContact O-N 2.85Å; F151-L154 PolarHBondContact O-N 2.6Å; L154-L157 WeakPolarHBondContact O-CB 3.38Å; L154-L157 PolarHBondContact O-N 3.17Å; L154-L157 VanDerWaalsContact O-N 3.08Å; L154-F158 HydrophobicContact CD2-CD2 4.12Å; L154-F158 HydrophobicContact CD2-CE2 3.61Å; L154-F158 WeakPolarHBondContact O-CD2 3.4Å; L154-F158 PolarHBondContact O-N 3.34Å; L154-F158 VanDerWaalsContact O-N 3.08Å |
| 155 | Y | 73.3 | Confident | 71.9 | Confident | 31 Ų | 31 | 57 Ų | 57 | 12% | 0.122 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -55.4 | -50.4 | -177.3 | -107.4 | -98.6 | 0 | 0 | 0 | 111.4 | A32 E36 Y97 F151 L157 F158 V159 | A32-Y155 HydrophobicContact CB-CD1 4.19Å; A32-Y155 HydrophobicContact CB-CE1 3.59Å; E36-Y155 PolarHBondContact OE1-OH 3.15Å; Y97-Y155 HydrophobicContact CE1-CE1 4.42Å; F151-Y155 HydrophobicContact CD1-CE2 4.47Å; F151-Y155 PolarHBondContact O-N 3.07Å; Y155-L157 PolarHBondContact O-N 3.39Å; Y155-F158 PolarHBondContact O-N 3.19Å; Y155-V159 WeakPolarHBondContact O-CG2 3.5Å; Y155-V159 PolarHBondContact O-N 3.12Å; Y155-V159 VanDerWaalsContact O-N 3.11Å |
| 156 | P | 68 | Low | 70.2 | Confident | 49 Ų | 49 | 60 Ų | 60 | 32% | 0.318 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.8 | -38.2 | 174 | -24 | 33.9 | 0 | 0 | 0 | 113.9 | F152 L153 F158 V159 F160 | F152-P156 WeakPolarHBondContact O-CD 3.23Å; F152-P156 WeakPolarHBondContact O-CG 3.44Å; L153-P156 WeakPolarHBondContact O-CD 3.33Å; P156-F158 VanDerWaalsContact C-N 3.31Å; P156-F158 PolarHBondContact O-N 3.48Å; P156-V159 WeakPolarHBondContact O-CA 3.09Å; P156-V159 WeakPolarHBondContact O-CB 3.4Å; P156-V159 PolarHBondContact O-N 3.24Å; P156-F160 HydrophobicContact CB-CD2 4.17Å; P156-F160 HydrophobicContact CB-CE2 3.76Å; P156-F160 WeakPolarHBondContact O-CD2 2.95Å; P156-F160 PolarHBondContact O-N 3.49Å |
| 157 | L | 69.4 | Low | 68.2 | Low | 85 Ų | 85 | 61.2 Ų | 61.2 | 45% | 0.445 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -59.8 | -42 | 179.6 | -170.3 | 73 | 0 | 0 | 0 | 111.8 | L117 L153 L154 Y155 V159 | L117-L157 HydrophobicContact CD2-CD2 4.33Å; L153-L157 PolarHBondContact O-N 2.89Å; L154-L157 WeakPolarHBondContact O-CB 3.38Å; L154-L157 PolarHBondContact O-N 3.17Å; L154-L157 VanDerWaalsContact O-N 3.08Å; Y155-L157 PolarHBondContact O-N 3.39Å; L157-V159 VanDerWaalsContact C-N 3.34Å |
| 158 | F | 65.6 | Low | 66 | Low | 13 Ų | 13 | 69.4 Ų | 69.4 | 6% | 0.057 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -71.8 | -28.2 | 173.7 | -80.7 | -81.5 | 0 | 0 | 0 | 112.8 | L98 L102 I105 L154 Y155 P156 F162 | L98-F158 HydrophobicContact CD2-CD2 3.68Å; L98-F158 HydrophobicContact CD2-CE2 3.83Å; L98-F158 HydrophobicContact CD2-CG 4.24Å; L98-F158 HydrophobicContact CD2-CZ 4.48Å; L102-F158 HydrophobicContact CD2-CE1 3.92Å; L102-F158 HydrophobicContact CD2-CZ 3.82Å; L102-F158 HydrophobicContact CG-CE1 4.36Å; L102-F158 HydrophobicContact CG-CZ 4.14Å; I105-F158 HydrophobicContact CD1-CD1 3.66Å; I105-F158 HydrophobicContact CD1-CE1 3.43Å; I105-F158 VanDerWaalsContact CD1-CE1 3.43Å; L154-F158 HydrophobicContact CD2-CD2 4.12Å; L154-F158 HydrophobicContact CD2-CE2 3.61Å; L154-F158 WeakPolarHBondContact O-CD2 3.4Å; L154-F158 PolarHBondContact O-N 3.34Å; L154-F158 VanDerWaalsContact O-N 3.08Å; Y155-F158 PolarHBondContact O-N 3.19Å; P156-F158 VanDerWaalsContact C-N 3.31Å; P156-F158 PolarHBondContact O-N 3.48Å; F158-F162 WeakPolarHBondContact O-CD2 3.28Å; F158-F162 WeakPolarHBondContact O-CE2 3.23Å |
| 159 | V | 65.8 | Low | 64.1 | Low | 25 Ų | 25 | 73.5 Ų | 73.5 | 15% | 0.152 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -70.3 | -43.9 | 176.8 | 164.6 | 0 | 0 | 0 | 0 | 112.3 | F35 Y155 P156 L157 E161 F162 | F35-V159 HydrophobicContact CB-CG2 3.87Å; F35-V159 HydrophobicContact CD1-CB 4.14Å; F35-V159 HydrophobicContact CD1-CG1 3.63Å; F35-V159 HydrophobicContact CD1-CG2 3.37Å; F35-V159 HydrophobicContact CD2-CG2 3.46Å; F35-V159 VanDerWaalsContact CD2-CG2 3.46Å; F35-V159 HydrophobicContact CE1-CB 4.07Å; F35-V159 HydrophobicContact CE1-CG1 3.18Å; F35-V159 HydrophobicContact CE1-CG2 3.67Å; F35-V159 HydrophobicContact CE2-CG1 4.31Å; F35-V159 HydrophobicContact CE2-CG2 3.75Å; F35-V159 HydrophobicContact CG-CB 4.47Å; F35-V159 HydrophobicContact CG-CG1 4.39Å; F35-V159 HydrophobicContact CG-CG2 3.28Å; F35-V159 HydrophobicContact CZ-CB 4.3Å; F35-V159 HydrophobicContact CZ-CG1 3.58Å; F35-V159 HydrophobicContact CZ-CG2 3.85Å; Y155-V159 WeakPolarHBondContact O-CG2 3.5Å; Y155-V159 PolarHBondContact O-N 3.12Å; Y155-V159 VanDerWaalsContact O-N 3.11Å; P156-V159 WeakPolarHBondContact O-CA 3.09Å; P156-V159 WeakPolarHBondContact O-CB 3.4Å; P156-V159 PolarHBondContact O-N 3.24Å; L157-V159 VanDerWaalsContact C-N 3.34Å; V159-E161 PolarHBondContact O-N 3.49Å; V159-F162 PolarHBondContact O-N 3.46Å |
| 160 | F | 60.9 | Low | 62.4 | Low | 144 Ų | 144 | 75 Ų | 75 | 63% | 0.632 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -68.2 | -20.2 | -176.5 | -71.2 | -62.2 | 0 | 0 | 0 | 113.3 | P156 F162 A163 | P156-F160 HydrophobicContact CB-CD2 4.17Å; P156-F160 HydrophobicContact CB-CE2 3.76Å; P156-F160 WeakPolarHBondContact O-CD2 2.95Å; P156-F160 PolarHBondContact O-N 3.49Å; F160-F162 PolarHBondContact O-N 2.93Å; F160-A163 PolarHBondContact O-N 2.99Å |
| 161 | E | 63.7 | Low | 60.6 | Low | 35 Ų | 35 | 79.9 Ų | 79.9 | 16% | 0.164 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -55.2 | -32.7 | 168.2 | -170.1 | -170.8 | -171.6 | 0 | 0 | 111.8 | I105 L110 V159 I165 | I105-E161 WeakPolarHBondContact CD1-OE2 3Å; L110-E161 HydrophobicContact CD2-CB 3.83Å; L110-E161 HydrophobicContact CD2-CG 3.52Å; L110-E161 WeakPolarHBondContact CD2-OE1 3.47Å; L110-E161 WeakPolarHBondContact CD2-OE2 3.37Å; V159-E161 PolarHBondContact O-N 3.49Å; E161-I165 WeakPolarHBondContact O-CD1 3.26Å; E161-I165 WeakPolarHBondContact O-CG1 3.38Å |
| 162 | F | 56 | Low | 58.8 | Low | 58 Ų | 58 | 87.6 Ų | 87.6 | 25% | 0.254 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -86.4 | -24.5 | -177.5 | -55.3 | -52.9 | 0 | 0 | 0 | 114.4 | R39 F158 V159 F160 | R39-F162 VanDerWaalsContact CD-CZ 3.44Å; F158-F162 WeakPolarHBondContact O-CD2 3.28Å; F158-F162 WeakPolarHBondContact O-CE2 3.23Å; V159-F162 PolarHBondContact O-N 3.46Å; F160-F162 PolarHBondContact O-N 2.93Å |
| 163 | A | 55.4 | Low | 57.3 | Low | 58 Ų | 58 | 87.8 Ų | 87.8 | 48% | 0.479 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -66 | -42 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F160 I165 K166 | F160-A163 PolarHBondContact O-N 2.99Å; A163-I165 VanDerWaalsContact C-N 3.32Å; A163-I165 PolarHBondContact O-N 3.38Å; A163-K166 PolarHBondContact O-N 3.44Å |
| 164 | D | 52.1 | Low | 55.9 | Low | 123 Ų | 123 | 87.8 Ų | 87.8 | 66% | 0.658 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -73.3 | -24.4 | -174.8 | -152.3 | 45.3 | 0 | 0 | 0 | 113 | ||
| 165 | I | 51 | Low | 54.7 | Low | 78 Ų | 78 | 91.2 Ų | 91.2 | 40% | 0.4 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -76.2 | -28.3 | 178.4 | -59.6 | 170.3 | 0 | 0 | 0 | 111.7 | E161 A163 K168 | E161-I165 WeakPolarHBondContact O-CD1 3.26Å; E161-I165 WeakPolarHBondContact O-CG1 3.38Å; A163-I165 VanDerWaalsContact C-N 3.32Å; A163-I165 PolarHBondContact O-N 3.38Å; I165-K168 PolarHBondContact O-N 2.94Å |
| 166 | K | 47.4 | Very low | 53.5 | Low | 157 Ų | 157 | 96 Ų | 96 | 68% | 0.683 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.6 | -35.5 | 176.8 | -99.2 | -173 | 175.8 | -174.6 | 0 | 112.5 | A163 K168 L169 T170 | A163-K166 PolarHBondContact O-N 3.44Å; K166-K168 PolarHBondContact O-N 3.34Å; K166-L169 PolarHBondContact O-N 3.1Å; K166-L169 VanDerWaalsContact O-N 3.12Å; K166-T170 PolarHBondContact O-N 3.48Å; K166-T170 PolarHBondContact O-OG1 2.94Å |
| 167 | C | 43.7 | Very low | 52.4 | Low | 83 Ų | 83 | 97 Ų | 97 | 56% | 0.561 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.1 | -29.4 | 176.1 | -80.6 | 0 | 0 | 0 | 0 | 113 | I171 | C167-I171 WeakPolarHBondContact O-CG1 3.44Å |
| 168 | K | 41.4 | Very low | 50.8 | Low | 171 Ų | 171 | 102.1 Ų | 102.1 | 74% | 0.743 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -75.3 | -23.5 | 175.7 | -98.4 | 176.1 | 176.9 | 171.1 | 0 | 114.5 | I165 K166 | I165-K168 PolarHBondContact O-N 2.94Å; K166-K168 PolarHBondContact O-N 3.34Å |
| 169 | L | 48.8 | Very low | 49.5 | Very low | 100 Ų | 100 | 109 Ų | 109 | 52% | 0.524 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -88.9 | -32 | -178.9 | -79.8 | 162.2 | 0 | 0 | 0 | 112.6 | K166 I171 K172 S173 | K166-L169 PolarHBondContact O-N 3.1Å; K166-L169 VanDerWaalsContact O-N 3.12Å; L169-I171 VanDerWaalsContact C-N 3.34Å; L169-I171 PolarHBondContact O-N 3Å; L169-K172 PolarHBondContact O-N 3.37Å; L169-S173 PolarHBondContact O-N 3.43Å |
| 170 | T | 47.6 | Very low | 48.2 | Very low | 102 Ų | 102 | 111.5 Ų | 111.5 | 63% | 0.626 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -67.3 | -35.4 | 175.7 | -45.9 | 0 | 0 | 0 | 0 | 112 | K166 K172 | K166-T170 PolarHBondContact O-N 3.48Å; K166-T170 PolarHBondContact O-OG1 2.94Å; T170-K172 VanDerWaalsContact C-N 3.35Å; T170-K172 PolarHBondContact O-N 3.24Å |
| 171 | I | 49 | Very low | 47 | Very low | 137 Ų | 137 | 109.3 Ų | 109.3 | 70% | 0.703 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -72.3 | -29.5 | 178.8 | -62.5 | 175.1 | 0 | 0 | 0 | 111.7 | C167 L169 | C167-I171 WeakPolarHBondContact O-CG1 3.44Å; L169-I171 VanDerWaalsContact C-N 3.34Å; L169-I171 PolarHBondContact O-N 3Å |
| 172 | K | 46.6 | Very low | 45.8 | Very low | 180 Ų | 180 | 114.2 Ų | 114.2 | 78% | 0.783 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -82 | -14.1 | -178.5 | -141.9 | -179.1 | -176.3 | -173.6 | 0 | 113.8 | L169 T170 | L169-K172 PolarHBondContact O-N 3.37Å; T170-K172 VanDerWaalsContact C-N 3.35Å; T170-K172 PolarHBondContact O-N 3.24Å |
| 173 | S | 46.5 | Very low | 45.1 | Very low | 102 Ų | 102 | 120 Ų | 120 | 71% | 0.713 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -10.4 | 177.6 | -168 | 0 | 0 | 0 | 0 | 113.9 | L169 | L169-S173 PolarHBondContact O-N 3.43Š|
| 174 | S | 47.1 | Very low | 44.5 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 10.4 | -179.5 | -56.4 | 0 | 0 | 0 | 0 | 114 | ||
| 175 | G | 49.2 | Very low | 43.8 | Very low | 71 Ų | 71 | 126.6 Ų | 126.6 | 73% | 0.732 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -118.6 | 12.4 | -172.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 176 | C | 48.2 | Very low | 43.6 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 89% | 0.885 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -141.1 | 91.5 | 175.3 | -159.2 | 0 | 0 | 0 | 0 | 111 | ||
| 177 | G | 45.5 | Very low | 43.8 | Very low | 70 Ų | 70 | 133.5 Ų | 133.5 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 165.2 | 99 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 178 | Q | 36.3 | Very low | 44.2 | Very low | 193 Ų | 193 | 133.9 Ų | 133.9 | 90% | 0.902 | 76% | 0.76 | S | S | * | * | trans | 133.4 | 131.4 | 156.9 | -77.4 | -178.3 | 11 | 0 | 0 | 110.4 | ||||
| 179 | H | 37.4 | Very low | 44.5 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 73% | 0.731 | 76% | 0.764 | S | S | * | * | cis | -167.4 | 119.8 | -4.8 | -172.6 | -72.3 | 0 | 0 | 0 | 104.1 | S181 | H179-S181 PolarHBondContact O-N 3.06Å; H179-S181 VanDerWaalsContact O-N 3.09Å | ||
| 180 | G | 38.3 | Very low | 44.9 | Very low | 77 Ų | 77 | 132 Ų | 132 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -74.6 | 96.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 181 | S | 36.1 | Very low | 44.8 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 69% | 0.692 | 81% | 0.814 | S | S | * | * | trans | -85.8 | 100.5 | 167.1 | 46.8 | 0 | 0 | 0 | 0 | 108.7 | H179 E183 | H179-S181 PolarHBondContact O-N 3.06Å; H179-S181 VanDerWaalsContact O-N 3.09Å; S181-E183 PolarHBondContact O-N 3.41Å | ||
| 182 | T | 37.7 | Very low | 44.6 | Very low | 138 Ų | 138 | 136.6 Ų | 136.6 | 85% | 0.847 | 82% | 0.82 | S | S | * | * | trans | -70.1 | 113.4 | 164 | 36.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 183 | E | 42.5 | Very low | 44.5 | Very low | 178 Ų | 178 | 134.3 Ų | 134.3 | 83% | 0.832 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 142.8 | 167.2 | -75.6 | 179.6 | 125.7 | 0 | 0 | 110.9 | S181 Q185 | S181-E183 PolarHBondContact O-N 3.41Å; E183-Q185 PolarHBondContact O-N 3.22Å |
| 184 | P | 41.8 | Very low | 44.4 | Very low | 128 Ų | 128 | 136.1 Ų | 136.1 | 83% | 0.831 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 122 | 168.3 | 27.8 | -28.7 | 0 | 0 | 0 | 110.6 | ||
| 185 | Q | 37.8 | Very low | 44.3 | Very low | 193 Ų | 193 | 137.5 Ų | 137.5 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 127.2 | 170.3 | -79.1 | -141.5 | -57 | 0 | 0 | 111.3 | E183 | E183-Q185 PolarHBondContact O-N 3.22Š|
| 186 | Y | 47 | Very low | 44 | Very low | 204 Ų | 204 | 141.6 Ų | 141.6 | 80% | 0.8 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 125 | 167.8 | 175.1 | -97.6 | 0 | 0 | 0 | 110.1 | P188 | Y186-P188 HydrophobicContact CE1-CB 4.21Š|
| 187 | Q | 52.2 | Low | 43.7 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 127.7 | 166.8 | -77.8 | -158.5 | -51.1 | 0 | 0 | 109.9 | ||
| 188 | P | 50.8 | Low | 43.5 | Very low | 91 Ų | 91 | 147.5 Ų | 147.5 | 59% | 0.591 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 130.8 | 166.9 | 28.2 | -23.1 | 0 | 0 | 0 | 109.5 | Y186 | Y186-P188 HydrophobicContact CE1-CB 4.21Š|
| 189 | G | 48.6 | Very low | 44.1 | Very low | 80 Ų | 80 | 144 Ų | 144 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 124.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||
| 190 | D | 56.2 | Low | 44.7 | Very low | 151 Ų | 151 | 142.8 Ų | 142.8 | 81% | 0.807 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 134.8 | 168 | -74.3 | -34 | 0 | 0 | 0 | 110.1 | ||
| 191 | S | 47 | Very low | 45.2 | Very low | 200 Ų | 200 | 148.8 Ų | 148.8 | 100% | 1.399 | 85% | 0.849 | S | S | * | * | trans | 88.8 | 0 | 168.5 | -31.4 | 0 | 0 | 0 | 0 | 117.9 |
Retrieved 191 of 191 residues in 56.8 ms
(Link to these results)