| 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 | 27.2 | Very low | 49.4 | Very low | 242 Ų | 242 | 105.5 Ų | 105.5 | 100% | 1.192 | 57% | 0.565 | S | S | * | * | 0 | 100.9 | 0 | -69.3 | 173 | 177.4 | 0 | 0 | 106.8 | N3 | M1-N3 PolarHBondContact O-N 3.26Š| |||
| 2 | Y | 32.8 | Very low | 50.7 | Low | 207 Ų | 207 | 103.2 Ų | 103.2 | 81% | 0.812 | 55% | 0.552 | S | S | * | * | trans | -95 | 89.1 | -176.8 | -140.7 | -92.2 | 0 | 0 | 0 | 107.4 | G4 | Y2-G4 VanDerWaalsContact C-N 3.31Å; Y2-G4 PolarHBondContact O-N 3.08Å | ||
| 3 | N | 34.8 | Very low | 52.6 | Low | 171 Ų | 171 | 101.2 Ų | 101.2 | 91% | 0.914 | 55% | 0.547 | S | S | * | . | trans | -89 | 70 | 176.3 | -103.5 | 6.5 | 0 | 0 | 0 | 109.2 | M1 | M1-N3 PolarHBondContact O-N 3.26Š| ||
| 4 | G | 47.7 | Very low | 54.4 | Low | 31 Ų | 31 | 94.1 Ų | 94.1 | 32% | 0.32 | 51% | 0.508 | S | S | . | . | trans | -111.6 | 110 | 158.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | Y2 C6 | Y2-G4 VanDerWaalsContact C-N 3.31Å; Y2-G4 PolarHBondContact O-N 3.08Å; G4-C6 PolarHBondContact O-N 2.87Å | ||
| 5 | S | 53.2 | Low | 56.3 | Low | 112 Ų | 112 | 88.9 Ų | 88.9 | 78% | 0.783 | 48% | 0.482 | S | S | * | . | trans | -67.5 | 96.2 | -178.9 | 39.5 | 0 | 0 | 0 | 0 | 110.1 | C7 | S5-C7 PolarHBondContact O-N 3.25Š| ||
| 6 | C | 58.6 | Low | 58 | Low | 61 Ų | 61 | 91.6 Ų | 91.6 | 41% | 0.412 | 49% | 0.49 | S | S | . | . | trans | -69.7 | 121.3 | 174.2 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | G4 R8 C157 Q159 | G4-C6 PolarHBondContact O-N 2.87Å; C6-R8 PolarHBondContact O-N 3Å; C6-R8 VanDerWaalsContact O-N 3.16Å; C6-C157 HydrophobicContact CB-CB 3.91Å; C6-C157 WeakPolarHBondContact CB-SG 3.19Å; C6-C157 WeakPolarHBondContact SG-CB 3.31Å; C6-C157 CovalentContact SG-SG 2Å; C6-C157 PolarHBondContact SG-SG 3.46Å; C6-Q159 PolarHBondContact O-NE2 2.93Å | ||
| 7 | C | 60.5 | Low | 59.5 | Low | 52 Ų | 52 | 89.9 Ų | 89.9 | 35% | 0.351 | 48% | 0.484 | S | S | . | . | trans | -69.9 | 107.5 | 169.6 | -62.5 | 0 | 0 | 0 | 0 | 110.6 | S5 I9 C252 | S5-C7 PolarHBondContact O-N 3.25Å; C7-I9 PolarHBondContact O-N 3.16Å; C7-C252 HydrophobicContact CB-CB 3.62Å; C7-C252 WeakPolarHBondContact CB-SG 3.4Å; C7-C252 WeakPolarHBondContact SG-CB 3.47Å; C7-C252 CovalentContact SG-SG 2.02Å; C7-C252 PolarHBondContact SG-SG 3.35Å | ||
| 8 | R | 58.3 | Low | 61 | Low | 92 Ų | 92 | 85 Ų | 85 | 35% | 0.347 | 46% | 0.457 | S | S | . | . | trans | -82.2 | 113.1 | 165.2 | -167.7 | -172.2 | 178.6 | 114 | -13.4 | 108.7 | C6 E10 Q159 T161 | C6-R8 PolarHBondContact O-N 3Å; C6-R8 VanDerWaalsContact O-N 3.16Å; R8-E10 PolarHBondContact O-N 3.2Å; R8-E10 VanDerWaalsContact O-N 3.15Å; R8-Q159 VanDerWaalsContact CD-OE1 3.31Å; R8-T161 PolarHBondContact NH1-OG1 3.27Å; R8-T161 PolarHBondContact NH2-OG1 3.42Å | ||
| 9 | I | 57.6 | Low | 62.6 | Low | 9 Ų | 9 | 80.8 Ų | 80.8 | 5% | 0.046 | 44% | 0.435 | C | S | . | . | trans | -81.3 | 92.9 | 171.2 | -58.6 | 135.6 | 0 | 0 | 0 | 107.4 | C7 G11 I14 R79 P254 H257 V258 | C7-I9 PolarHBondContact O-N 3.16Å; I9-G11 PolarHBondContact O-N 3.36Å; I9-I14 HydrophobicContact CG2-CD1 4.28Å; I9-R79 PolarHBondContact O-NH1 3.09Å; I9-R79 PolarHBondContact O-NH2 3.37Å; I9-P254 HydrophobicContact CG2-CB 3.9Å; I9-H257 HydrophobicContact CD1-CB 3.11Å; I9-H257 HydrophobicContact CG1-CB 3.5Å; I9-V258 HydrophobicContact CG2-CG2 4.29Å | ||
| 10 | E | 53.6 | Low | 64 | Low | 152 Ų | 152 | 80.3 Ų | 80.3 | 71% | 0.71 | 44% | 0.436 | S | S | * | . | trans | -65.5 | 115.8 | 169.8 | -92.4 | 175 | 158 | 0 | 0 | 109.5 | R8 | R8-E10 PolarHBondContact O-N 3.2Å; R8-E10 VanDerWaalsContact O-N 3.15Å | ||
| 11 | G | 59.1 | Low | 65.2 | Low | 32 Ų | 32 | 78.9 Ų | 78.9 | 33% | 0.33 | 43% | 0.428 | S | S | . | . | trans | 175.4 | 115.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I9 T13 | I9-G11 PolarHBondContact O-N 3.36Å; G11-T13 PolarHBondContact O-N 3.12Å | ||
| 12 | D | 65.2 | Low | 68.2 | Low | 77 Ų | 77 | 67.4 Ų | 67.4 | 41% | 0.412 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.8 | -16.9 | 177.5 | -77.7 | -25.2 | 0 | 0 | 0 | 112.3 | I14 S15 Q16 R78 | D12-I14 PolarHBondContact O-N 3.11Å; D12-S15 CarbonylContact O-C 3.6Å; D12-S15 PolarHBondContact O-N 2.91Å; D12-Q16 VanDerWaalsContact O-CG 3.27Å; D12-Q16 WeakPolarHBondContact O-CG 3.44Å; D12-Q16 PolarHBondContact O-N 3.18Å; D12-R78 IonicContact OD1-CZ 3.77Å; D12-R78 IonicContact OD1-NH1 2.75Å; D12-R78 PolarHBondContact OD1-NH1 2.93Å; D12-R78 IonicContact OD2-NH1 3.92Å |
| 13 | T | 74.9 | Confident | 71.1 | Confident | 78 Ų | 78 | 61.6 Ų | 61.6 | 48% | 0.479 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | -175.1 | -44.7 | 0 | 0 | 0 | 0 | 113.2 | G11 Q16 V17 | G11-T13 PolarHBondContact O-N 3.12Å; T13-Q16 PolarHBondContact O-N 3.08Å; T13-V17 HydrophobicContact CG2-CG2 4.28Å; T13-V17 WeakPolarHBondContact O-CB 3.31Å; T13-V17 VanDerWaalsContact O-CG2 3.28Å; T13-V17 WeakPolarHBondContact O-CG2 3.43Å; T13-V17 PolarHBondContact O-N 3.28Å |
| 14 | I | 78.2 | Confident | 73.8 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.01 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -65 | -45 | 178.1 | -60.2 | 176.5 | 0 | 0 | 0 | 109.7 | I9 D12 Q16 V17 M18 Y75 V258 H261 | I9-I14 HydrophobicContact CG2-CD1 4.28Å; D12-I14 PolarHBondContact O-N 3.11Å; I14-Q16 PolarHBondContact O-N 3.3Å; I14-V17 PolarHBondContact O-N 3.48Å; I14-M18 HydrophobicContact CG2-CE 4.44Å; I14-M18 HydrophobicContact CG2-CG 3.51Å; I14-M18 VanDerWaalsContact O-CB 3.24Å; I14-M18 WeakPolarHBondContact O-CB 3.46Å; I14-M18 WeakPolarHBondContact O-CG 3.47Å; I14-M18 PolarHBondContact O-N 2.92Å; I14-Y75 HydrophobicContact CG2-CD1 3.95Å; I14-Y75 HydrophobicContact CG2-CE1 3.68Å; I14-V258 HydrophobicContact CD1-CB 4.22Å; I14-V258 HydrophobicContact CD1-CG2 3.66Å; I14-V258 HydrophobicContact CG1-CB 4.19Å; I14-V258 HydrophobicContact CG1-CG1 4.15Å; I14-V258 HydrophobicContact CG1-CG2 3.7Å; I14-H261 HydrophobicContact CD1-CB 4.47Å; I14-H261 HydrophobicContact CG2-CB 4.48Å |
| 15 | S | 82.3 | Confident | 75.8 | Confident | 15 Ų | 15 | 55.5 Ų | 55.5 | 11% | 0.105 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.2 | -22.9 | 179.6 | -54.1 | 0 | 0 | 0 | 0 | 112.8 | D12 P19 Y75 | D12-S15 CarbonylContact O-C 3.6Å; D12-S15 PolarHBondContact O-N 2.91Å; S15-P19 WeakPolarHBondContact O-CD 3.49Å; S15-P19 WeakPolarHBondContact O-CG 3.41Å; S15-Y75 WeakPolarHBondContact CB-O 3.3Å |
| 16 | Q | 83.4 | Confident | 77.7 | Confident | 132 Ų | 132 | 53.9 Ų | 53.9 | 62% | 0.617 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -87.5 | -39.9 | 174.7 | -71.2 | 174.1 | 8.6 | 0 | 0 | 112.9 | D12 T13 I14 P20 | D12-Q16 VanDerWaalsContact O-CG 3.27Å; D12-Q16 WeakPolarHBondContact O-CG 3.44Å; D12-Q16 PolarHBondContact O-N 3.18Å; T13-Q16 PolarHBondContact O-N 3.08Å; I14-Q16 PolarHBondContact O-N 3.3Å; Q16-P20 VanDerWaalsContact O-CD 3.22Å; Q16-P20 WeakPolarHBondContact O-CD 3.43Å |
| 17 | V | 84.6 | Confident | 79.3 | Confident | 64 Ų | 64 | 54.1 Ų | 54.1 | 39% | 0.388 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -84.3 | -36.2 | -173.9 | 175.6 | 0 | 0 | 0 | 0 | 112.6 | T13 I14 P20 | T13-V17 HydrophobicContact CG2-CG2 4.28Å; T13-V17 WeakPolarHBondContact O-CB 3.31Å; T13-V17 VanDerWaalsContact O-CG2 3.28Å; T13-V17 WeakPolarHBondContact O-CG2 3.43Å; T13-V17 PolarHBondContact O-N 3.28Å; I14-V17 PolarHBondContact O-N 3.48Å; V17-P20 WeakPolarHBondContact O-CD 3.48Å; V17-P20 WeakPolarHBondContact O-CG 3.41Å |
| 18 | M | 86.1 | Confident | 80.8 | Confident | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.1 | -48.2 | -175 | -67.9 | -68.1 | 145.4 | 0 | 0 | 113.8 | I14 L21 L22 Y75 H261 I262 S265 | I14-M18 HydrophobicContact CG2-CE 4.44Å; I14-M18 HydrophobicContact CG2-CG 3.51Å; I14-M18 VanDerWaalsContact O-CB 3.24Å; I14-M18 WeakPolarHBondContact O-CB 3.46Å; I14-M18 WeakPolarHBondContact O-CG 3.47Å; I14-M18 PolarHBondContact O-N 2.92Å; M18-L21 PolarHBondContact O-N 2.99Å; M18-L22 WeakPolarHBondContact O-CG 3.39Å; M18-L22 PolarHBondContact O-N 3.12Å; M18-Y75 HydrophobicContact CB-CD1 3.96Å; M18-Y75 HydrophobicContact CB-CD2 3.51Å; M18-Y75 HydrophobicContact CB-CE1 4.28Å; M18-Y75 HydrophobicContact CB-CE2 3.82Å; M18-Y75 HydrophobicContact CB-CG 3.59Å; M18-Y75 HydrophobicContact CG-CD1 4.07Å; M18-Y75 HydrophobicContact CG-CD2 4.17Å; M18-Y75 HydrophobicContact CG-CE1 3.97Å; M18-Y75 HydrophobicContact CG-CE2 4.03Å; M18-Y75 HydrophobicContact CG-CG 4.19Å; M18-H261 VanDerWaalsContact CE-C 3.49Å; M18-H261 HydrophobicContact CE-CB 3.84Å; M18-H261 WeakPolarHBondContact CE-O 3.1Å; M18-I262 HydrophobicContact CE-CB 4.43Å; M18-I262 HydrophobicContact CE-CG1 3.86Å; M18-S265 WeakPolarHBondContact CE-OG 3.29Å; M18-S265 PolarHBondContact SD-OG 3.18Å |
| 19 | P | 91 | Very high | 82.4 | Confident | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.032 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -54.6 | -50.6 | -177.2 | -25 | 34.4 | 0 | 0 | 0 | 114.7 | S15 L21 L22 I23 T72 L76 | S15-P19 WeakPolarHBondContact O-CD 3.49Å; S15-P19 WeakPolarHBondContact O-CG 3.41Å; P19-L21 VanDerWaalsContact C-N 3.31Å; P19-L21 PolarHBondContact O-N 3.26Å; P19-L22 PolarHBondContact O-N 3.3Å; P19-I23 WeakPolarHBondContact O-CB 3.29Å; P19-I23 WeakPolarHBondContact O-CD1 3.4Å; P19-I23 WeakPolarHBondContact O-CG1 3.26Å; P19-I23 PolarHBondContact O-N 3.48Å; P19-T72 HydrophobicContact CB-CG2 4.15Å; P19-L76 HydrophobicContact CB-CD2 3.7Å; P19-L76 HydrophobicContact CB-CG 3.96Å; P19-L76 HydrophobicContact CG-CD2 3.77Å; P19-L76 HydrophobicContact CG-CG 3.98Å |
| 20 | P | 91.1 | Very high | 84 | Confident | 70 Ų | 70 | 52.4 Ų | 52.4 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63 | -38 | 179.8 | 23.9 | -32.6 | 0 | 0 | 0 | 112.1 | Q16 V17 I23 V24 | Q16-P20 VanDerWaalsContact O-CD 3.22Å; Q16-P20 WeakPolarHBondContact O-CD 3.43Å; V17-P20 WeakPolarHBondContact O-CD 3.48Å; V17-P20 WeakPolarHBondContact O-CG 3.41Å; P20-I23 PolarHBondContact O-N 2.95Å; P20-V24 VanDerWaalsContact O-CG2 3.29Å; P20-V24 WeakPolarHBondContact O-CG2 3.44Å; P20-V24 PolarHBondContact O-N 2.93Å |
| 21 | L | 89.1 | Confident | 85.8 | Confident | 52 Ų | 52 | 50.5 Ų | 50.5 | 27% | 0.272 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.7 | -48.7 | 176.1 | -171.2 | 159.6 | 0 | 0 | 0 | 111.1 | M18 P19 I23 V24 A25 Y268 | M18-L21 PolarHBondContact O-N 2.99Å; P19-L21 VanDerWaalsContact C-N 3.31Å; P19-L21 PolarHBondContact O-N 3.26Å; L21-I23 VanDerWaalsContact C-N 3.35Å; L21-I23 PolarHBondContact O-N 3.4Å; L21-V24 PolarHBondContact O-N 3.22Å; L21-A25 WeakPolarHBondContact O-CB 3.44Å; L21-A25 PolarHBondContact O-N 2.87Å; L21-Y268 HydrophobicContact CD2-CD2 4.13Å |
| 22 | L | 90.6 | Very high | 87.2 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 179.6 | -64.9 | -173.6 | 0 | 0 | 0 | 112.7 | M18 P19 A25 F26 L68 R71 T72 Y75 Y268 | M18-L22 WeakPolarHBondContact O-CG 3.39Å; M18-L22 PolarHBondContact O-N 3.12Å; P19-L22 PolarHBondContact O-N 3.3Å; L22-A25 PolarHBondContact O-N 3.45Å; L22-F26 VanDerWaalsContact O-CB 3.29Å; L22-F26 WeakPolarHBondContact O-CB 3.44Å; L22-F26 PolarHBondContact O-N 3.46Å; L22-L68 HydrophobicContact CD2-CD2 4.2Å; L22-R71 HydrophobicContact CD1-CB 4.06Å; L22-R71 HydrophobicContact CD1-CG 3.89Å; L22-T72 VanDerWaalsContact CB-OG1 3.31Å; L22-T72 WeakPolarHBondContact CB-OG1 3.28Å; L22-Y75 HydrophobicContact CD1-CD2 3.67Å; L22-Y75 HydrophobicContact CD1-CE2 3.8Å; L22-Y268 HydrophobicContact CD2-CD2 3.49Å; L22-Y268 VanDerWaalsContact CD2-CD2 3.49Å; L22-Y268 HydrophobicContact CD2-CE2 3.47Å; L22-Y268 VanDerWaalsContact CD2-CE2 3.47Å; L22-Y268 HydrophobicContact CD2-CG 4.15Å |
| 23 | I | 92.4 | Very high | 88.5 | Confident | 85 Ų | 85 | 45.9 Ų | 45.9 | 44% | 0.436 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.9 | -46.7 | 174.6 | -70.3 | 164 | 0 | 0 | 0 | 110 | P19 P20 L21 A25 F26 V27 T72 | P19-I23 WeakPolarHBondContact O-CB 3.29Å; P19-I23 WeakPolarHBondContact O-CD1 3.4Å; P19-I23 WeakPolarHBondContact O-CG1 3.26Å; P19-I23 PolarHBondContact O-N 3.48Å; P20-I23 PolarHBondContact O-N 2.95Å; L21-I23 VanDerWaalsContact C-N 3.35Å; L21-I23 PolarHBondContact O-N 3.4Å; I23-A25 VanDerWaalsContact C-N 3.32Å; I23-A25 PolarHBondContact O-N 3.2Å; I23-F26 PolarHBondContact O-N 3.27Å; I23-V27 WeakPolarHBondContact O-CG2 3.28Å; I23-V27 PolarHBondContact O-N 2.99Å; I23-T72 HydrophobicContact CD1-CG2 4.11Å; I23-T72 HydrophobicContact CG1-CG2 3.81Å |
| 24 | V | 91.9 | Very high | 89.3 | Confident | 74 Ų | 74 | 43 Ų | 43 | 45% | 0.448 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 176.5 | 172.4 | 0 | 0 | 0 | 0 | 110.6 | P20 L21 V27 L28 M272 | P20-V24 VanDerWaalsContact O-CG2 3.29Å; P20-V24 WeakPolarHBondContact O-CG2 3.44Å; P20-V24 PolarHBondContact O-N 2.93Å; L21-V24 PolarHBondContact O-N 3.22Å; V24-V27 PolarHBondContact O-N 3.49Å; V24-L28 HydrophobicContact CG1-CD1 3.85Å; V24-L28 HydrophobicContact CG1-CG 4.34Å; V24-L28 WeakPolarHBondContact O-CB 3.46Å; V24-L28 WeakPolarHBondContact O-CG 3.3Å; V24-L28 PolarHBondContact O-N 3.03Å; V24-M272 HydrophobicContact CG1-CE 3.77Å |
| 25 | A | 90.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.5 | -43.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L21 L22 I23 G29 L68 M272 | L21-A25 WeakPolarHBondContact O-CB 3.44Å; L21-A25 PolarHBondContact O-N 2.87Å; L22-A25 PolarHBondContact O-N 3.45Å; I23-A25 VanDerWaalsContact C-N 3.32Å; I23-A25 PolarHBondContact O-N 3.2Å; A25-G29 VanDerWaalsContact O-CA 3.32Å; A25-G29 WeakPolarHBondContact O-CA 3.26Å; A25-G29 PolarHBondContact O-N 3.3Å; A25-L68 HydrophobicContact CB-CD1 4.13Å; A25-M272 VanDerWaalsContact CA-SD 3.51Å; A25-M272 HydrophobicContact CB-CG 4.07Å; A25-M272 HydrophobicContact CB-SD 3.63Å |
| 26 | F | 92.7 | Very high | 90.2 | Very high | 79 Ų | 79 | 44.4 Ų | 44.4 | 35% | 0.346 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61 | -50.9 | 175.7 | 173.4 | -102.4 | 0 | 0 | 0 | 111.8 | L22 I23 A30 M65 L68 P69 | L22-F26 VanDerWaalsContact O-CB 3.29Å; L22-F26 WeakPolarHBondContact O-CB 3.44Å; L22-F26 PolarHBondContact O-N 3.46Å; I23-F26 PolarHBondContact O-N 3.27Å; F26-A30 WeakPolarHBondContact O-CB 3.45Å; F26-A30 PolarHBondContact O-N 3.34Å; F26-M65 HydrophobicContact CD2-CB 4.23Å; F26-M65 VanDerWaalsContact CD2-O 3.31Å; F26-M65 WeakPolarHBondContact CD2-O 3.5Å; F26-M65 HydrophobicContact CE2-CB 4.41Å; F26-M65 WeakPolarHBondContact CE2-O 3.43Å; F26-L68 HydrophobicContact CB-CB 4.35Å; F26-L68 HydrophobicContact CB-CD1 4.13Å; F26-L68 HydrophobicContact CD2-CB 4.43Å; F26-P69 HydrophobicContact CD2-CG 4.09Å; F26-P69 HydrophobicContact CE2-CG 3.91Å; F26-P69 HydrophobicContact CZ-CG 4.41Å |
| 27 | V | 92.8 | Very high | 90.6 | Very high | 65 Ų | 65 | 39.4 Ų | 39.4 | 39% | 0.394 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.6 | -51.4 | -177.5 | 172.7 | 0 | 0 | 0 | 0 | 111 | I23 V24 L31 | I23-V27 WeakPolarHBondContact O-CG2 3.28Å; I23-V27 PolarHBondContact O-N 2.99Å; V24-V27 PolarHBondContact O-N 3.49Å; V27-L31 HydrophobicContact CG1-CD1 3.93Å; V27-L31 VanDerWaalsContact O-CB 3.32Å; V27-L31 WeakPolarHBondContact O-CB 3.29Å; V27-L31 WeakPolarHBondContact O-CG 3.21Å; V27-L31 PolarHBondContact O-N 3.17Å; V27-L31 VanDerWaalsContact O-N 3.11Å |
| 28 | L | 91.4 | Very high | 90.8 | Very high | 90 Ų | 90 | 39.3 Ų | 39.3 | 47% | 0.471 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -69.7 | -40.1 | -177.8 | -66.1 | -176.6 | 0 | 0 | 0 | 111.9 | V24 G32 M272 | V24-L28 HydrophobicContact CG1-CD1 3.85Å; V24-L28 HydrophobicContact CG1-CG 4.34Å; V24-L28 WeakPolarHBondContact O-CB 3.46Å; V24-L28 WeakPolarHBondContact O-CG 3.3Å; V24-L28 PolarHBondContact O-N 3.03Å; L28-G32 PolarHBondContact O-N 3.47Å; L28-M272 HydrophobicContact CB-CE 4.12Å; L28-M272 HydrophobicContact CD1-CE 3.56Å; L28-M272 HydrophobicContact CG-CE 4.32Å |
| 29 | G | 91.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.7 | -45.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | A25 N33 | A25-G29 VanDerWaalsContact O-CA 3.32Å; A25-G29 WeakPolarHBondContact O-CA 3.26Å; A25-G29 PolarHBondContact O-N 3.3Å; G29-N33 VanDerWaalsContact O-CB 3.24Å; G29-N33 WeakPolarHBondContact O-CB 3.46Å; G29-N33 PolarHBondContact O-N 3.07Å; G29-N33 PolarHBondContact O-ND2 2.84Å |
| 30 | A | 91.5 | Very high | 90.8 | Very high | 27 Ų | 27 | 39 Ų | 39 | 22% | 0.223 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.5 | -44 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | F26 G34 M65 | F26-A30 WeakPolarHBondContact O-CB 3.45Å; F26-A30 PolarHBondContact O-N 3.34Å; A30-G34 VanDerWaalsContact O-CA 3.3Å; A30-G34 WeakPolarHBondContact O-CA 3.29Å; A30-G34 PolarHBondContact O-N 2.85Å; A30-M65 HydrophobicContact CB-CB 4.48Å; A30-M65 HydrophobicContact CB-CG 4.31Å |
| 31 | L | 91.2 | Very high | 90.6 | Very high | 112 Ų | 112 | 39.2 Ų | 39.2 | 59% | 0.586 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -65.2 | -49.2 | 176 | -69.5 | 174.3 | 0 | 0 | 0 | 111.4 | V27 V35 | V27-L31 HydrophobicContact CG1-CD1 3.93Å; V27-L31 VanDerWaalsContact O-CB 3.32Å; V27-L31 WeakPolarHBondContact O-CB 3.29Å; V27-L31 WeakPolarHBondContact O-CG 3.21Å; V27-L31 PolarHBondContact O-N 3.17Å; V27-L31 VanDerWaalsContact O-N 3.11Å; L31-V35 VanDerWaalsContact O-CB 3.32Å; L31-V35 WeakPolarHBondContact O-CB 3.32Å; L31-V35 WeakPolarHBondContact O-CG2 3.26Å; L31-V35 PolarHBondContact O-N 3.35Å |
| 32 | G | 89.8 | Confident | 90.4 | Very high | 13 Ų | 13 | 45.1 Ų | 45.1 | 13% | 0.134 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.3 | -54.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | L28 A36 | L28-G32 PolarHBondContact O-N 3.47Å; G32-A36 WeakPolarHBondContact O-CB 3.38Å; G32-A36 PolarHBondContact O-N 3.05Å |
| 33 | N | 92.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72 | -35.8 | -179.2 | -65.3 | -65.2 | 0 | 0 | 0 | 111.8 | G29 A36 L37 D61 S271 Y278 | G29-N33 VanDerWaalsContact O-CB 3.24Å; G29-N33 WeakPolarHBondContact O-CB 3.46Å; G29-N33 PolarHBondContact O-N 3.07Å; G29-N33 PolarHBondContact O-ND2 2.84Å; N33-A36 PolarHBondContact O-N 2.9Å; N33-L37 WeakPolarHBondContact O-CB 3.4Å; N33-L37 VanDerWaalsContact O-CG 3.32Å; N33-L37 WeakPolarHBondContact O-CG 3.37Å; N33-L37 PolarHBondContact O-N 3.49Å; N33-D61 HydrophobicContact CB-CB 4.28Å; N33-D61 PolarHBondContact OD1-OD2 3.19Å; N33-S271 PolarHBondContact ND2-O 2.87Å; N33-Y278 WeakPolarHBondContact OD1-CE2 3.43Å |
| 34 | G | 91.2 | Very high | 89.3 | Confident | 16 Ų | 16 | 45.5 Ų | 45.5 | 17% | 0.165 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A30 A36 L37 C38 | A30-G34 VanDerWaalsContact O-CA 3.3Å; A30-G34 WeakPolarHBondContact O-CA 3.29Å; A30-G34 PolarHBondContact O-N 2.85Å; G34-A36 VanDerWaalsContact C-N 3.32Å; G34-A36 PolarHBondContact O-N 3.32Å; G34-L37 PolarHBondContact O-N 3.2Å; G34-C38 PolarHBondContact O-N 3.13Å; G34-C38 PolarHBondContact O-SG 3.21Å |
| 35 | V | 89.3 | Confident | 88.4 | Confident | 48 Ų | 48 | 51.8 Ų | 51.8 | 29% | 0.291 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62.6 | -39.7 | 175.3 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | L31 C38 G39 F288 Y289 L292 | L31-V35 VanDerWaalsContact O-CB 3.32Å; L31-V35 WeakPolarHBondContact O-CB 3.32Å; L31-V35 WeakPolarHBondContact O-CG2 3.26Å; L31-V35 PolarHBondContact O-N 3.35Å; V35-C38 PolarHBondContact O-N 3.47Å; V35-G39 PolarHBondContact O-N 2.83Å; V35-F288 HydrophobicContact CG1-CE1 3.94Å; V35-Y289 HydrophobicContact CB-CE1 4.3Å; V35-Y289 HydrophobicContact CG1-CD1 4.03Å; V35-Y289 HydrophobicContact CG1-CE1 3.4Å; V35-Y289 VanDerWaalsContact CG1-CE1 3.4Å; V35-L292 HydrophobicContact CG1-CD1 3.75Å |
| 36 | A | 89.7 | Confident | 87.9 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61.1 | -49.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | G32 N33 G34 C38 G39 F40 Y278 | G32-A36 WeakPolarHBondContact O-CB 3.38Å; G32-A36 PolarHBondContact O-N 3.05Å; N33-A36 PolarHBondContact O-N 2.9Å; G34-A36 VanDerWaalsContact C-N 3.32Å; G34-A36 PolarHBondContact O-N 3.32Å; A36-C38 PolarHBondContact O-N 2.9Å; A36-G39 CarbonylContact O-C 2.96Å; A36-G39 WeakPolarHBondContact O-CA 3.23Å; A36-G39 PolarHBondContact O-N 2.85Å; A36-F40 HydrophobicContact CB-CD2 4.49Å; A36-F40 HydrophobicContact CB-CE2 4.18Å; A36-F40 WeakPolarHBondContact O-CD2 3.43Å; A36-F40 PolarHBondContact O-N 3.17Å; A36-Y278 HydrophobicContact CB-CD2 3.47Å; A36-Y278 VanDerWaalsContact CB-CD2 3.47Å; A36-Y278 HydrophobicContact CB-CE2 3.9Å; A36-Y278 HydrophobicContact CB-CG 4.26Å |
| 37 | L | 91.8 | Very high | 87.5 | Confident | 27 Ų | 27 | 57.3 Ų | 57.3 | 14% | 0.141 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.5 | -45.6 | 175.9 | -73.5 | 173.8 | 0 | 0 | 0 | 111.6 | N33 G34 G39 F40 C41 F55 A58 V59 F62 | N33-L37 WeakPolarHBondContact O-CB 3.4Å; N33-L37 VanDerWaalsContact O-CG 3.32Å; N33-L37 WeakPolarHBondContact O-CG 3.37Å; N33-L37 PolarHBondContact O-N 3.49Å; G34-L37 PolarHBondContact O-N 3.2Å; L37-G39 VanDerWaalsContact C-N 3.28Å; L37-G39 PolarHBondContact O-N 2.8Å; L37-F40 PolarHBondContact O-N 3.17Å; L37-C41 WeakPolarHBondContact O-CB 3.48Å; L37-C41 PolarHBondContact O-N 2.79Å; L37-C41 PolarHBondContact O-SG 3.08Å; L37-C41 VanDerWaalsContact O-SG 3.32Å; L37-F55 HydrophobicContact CD2-CD2 3.9Å; L37-F55 HydrophobicContact CD2-CE2 3.66Å; L37-F55 HydrophobicContact CD2-CZ 4.39Å; L37-A58 HydrophobicContact CD2-CB 3.73Å; L37-A58 HydrophobicContact CG-CB 3.99Å; L37-V59 HydrophobicContact CD2-CG2 3.78Å; L37-F62 HydrophobicContact CD1-CB 3.68Å; L37-F62 HydrophobicContact CD1-CD1 4.45Å; L37-F62 HydrophobicContact CD1-CD2 4.04Å; L37-F62 HydrophobicContact CD1-CG 3.8Å |
| 38 | C | 89.5 | Confident | 87.1 | Confident | 61 Ų | 61 | 60 Ų | 60 | 41% | 0.412 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -57.9 | -42.1 | 172.9 | -68 | 0 | 0 | 0 | 0 | 111.8 | G34 V35 A36 C41 F42 | G34-C38 PolarHBondContact O-N 3.13Å; G34-C38 PolarHBondContact O-SG 3.21Å; V35-C38 PolarHBondContact O-N 3.47Å; A36-C38 PolarHBondContact O-N 2.9Å; C38-C41 PolarHBondContact O-N 2.81Å; C38-F42 HydrophobicContact CB-CD2 4.21Å; C38-F42 WeakPolarHBondContact O-CB 3.4Å; C38-F42 VanDerWaalsContact O-CD2 3.31Å; C38-F42 WeakPolarHBondContact O-CD2 3.47Å; C38-F42 PolarHBondContact O-N 2.69Å |
| 39 | G | 87.3 | Confident | 86.9 | Confident | 1 Ų | 1 | 56.6 Ų | 56.6 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -62.1 | -43.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V35 A36 L37 H43 M44 F288 | V35-G39 PolarHBondContact O-N 2.83Å; A36-G39 CarbonylContact O-C 2.96Å; A36-G39 WeakPolarHBondContact O-CA 3.23Å; A36-G39 PolarHBondContact O-N 2.85Å; L37-G39 VanDerWaalsContact C-N 3.28Å; L37-G39 PolarHBondContact O-N 2.8Å; G39-H43 WeakPolarHBondContact O-CA 3.28Å; G39-H43 WeakPolarHBondContact O-CB 3.3Å; G39-H43 PolarHBondContact O-N 2.53Å; G39-H43 VanDerWaalsContact O-N 3.08Å; G39-M44 WeakPolarHBondContact O-CG 3.48Å; G39-M44 PolarHBondContact O-N 3.28Å; G39-F288 VanDerWaalsContact CA-CE1 3.45Å |
| 40 | F | 89.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | I | π-helix | trans | -64 | -46.5 | 175.6 | -71.6 | -67.4 | 0 | 0 | 0 | 112 | A36 L37 M44 T51 L54 F55 A58 Y278 F285 | A36-F40 HydrophobicContact CB-CD2 4.49Å; A36-F40 HydrophobicContact CB-CE2 4.18Å; A36-F40 WeakPolarHBondContact O-CD2 3.43Å; A36-F40 PolarHBondContact O-N 3.17Å; L37-F40 PolarHBondContact O-N 3.17Å; F40-M44 HydrophobicContact CD1-CG 4.38Å; F40-M44 WeakPolarHBondContact O-CB 3.25Å; F40-T51 HydrophobicContact CD1-CG2 3.7Å; F40-T51 HydrophobicContact CE1-CG2 3.75Å; F40-L54 HydrophobicContact CE1-CB 4.29Å; F40-L54 HydrophobicContact CZ-CB 3.81Å; F40-F55 HydrophobicContact CB-CD2 3.58Å; F40-F55 HydrophobicContact CB-CE2 4.18Å; F40-F55 HydrophobicContact CD1-CB 4.35Å; F40-F55 HydrophobicContact CD2-CB 4.47Å; F40-F55 HydrophobicContact CD2-CD2 4.05Å; F40-F55 HydrophobicContact CG-CB 4.32Å; F40-F55 AromaticContact CG-CD2 3.88Å; F40-F55 HydrophobicContact CG-CD2 3.88Å; F40-A58 HydrophobicContact CE2-CB 4.21Å; F40-Y278 HydrophobicContact CE2-CD1 4.36Å; F40-Y278 HydrophobicContact CZ-CD1 4.15Å; F40-F285 HydrophobicContact CD1-CE2 4.09Å; F40-F285 AromaticContact CD1-CZ 3.49Å; F40-F285 HydrophobicContact CD1-CZ 3.49Å; F40-F285 VanDerWaalsContact CD1-CZ 3.49Å; F40-F285 HydrophobicContact CD2-CZ 4.04Å; F40-F285 HydrophobicContact CE1-CE1 4.46Å; F40-F285 AromaticContact CE1-CE2 3.45Å; F40-F285 HydrophobicContact CE1-CE2 3.45Å; F40-F285 VanDerWaalsContact CE1-CE2 3.45Å; F40-F285 AromaticContact CE1-CZ 3.23Å; F40-F285 HydrophobicContact CE1-CZ 3.23Å; F40-F285 HydrophobicContact CE2-CE1 4.45Å; F40-F285 HydrophobicContact CE2-CE2 4.5Å; F40-F285 AromaticContact CE2-CZ 3.8Å; F40-F285 HydrophobicContact CE2-CZ 3.8Å; F40-F285 AromaticContact CG-CZ 3.87Å; F40-F285 HydrophobicContact CG-CZ 3.87Å; F40-F285 HydrophobicContact CZ-CE1 4.37Å; F40-F285 AromaticContact CZ-CE2 3.67Å; F40-F285 HydrophobicContact CZ-CE2 3.67Å; F40-F285 AromaticContact CZ-CZ 3.37Å; F40-F285 HydrophobicContact CZ-CZ 3.37Å |
| 41 | C | 87.6 | Confident | 86.4 | Confident | 73 Ų | 73 | 56.2 Ų | 56.2 | 49% | 0.493 | 29% | 0.289 | S | S | . | . | I | π-helix | trans | -73.5 | -41.5 | -175.6 | -65.6 | 0 | 0 | 0 | 0 | 113.1 | L37 C38 | L37-C41 WeakPolarHBondContact O-CB 3.48Å; L37-C41 PolarHBondContact O-N 2.79Å; L37-C41 PolarHBondContact O-SG 3.08Å; L37-C41 VanDerWaalsContact O-SG 3.32Å; C38-C41 PolarHBondContact O-N 2.81Å |
| 42 | F | 84.3 | Confident | 86.4 | Confident | 177 Ų | 177 | 51.6 Ų | 51.6 | 78% | 0.776 | 27% | 0.266 | S | S | * | . | I | π-helix | trans | -108.1 | -21.4 | -167.8 | -58.3 | -64.8 | 0 | 0 | 0 | 114.7 | C38 | C38-F42 HydrophobicContact CB-CD2 4.21Å; C38-F42 WeakPolarHBondContact O-CB 3.4Å; C38-F42 VanDerWaalsContact O-CD2 3.31Å; C38-F42 WeakPolarHBondContact O-CD2 3.47Å; C38-F42 PolarHBondContact O-N 2.69Å |
| 43 | H | 80.2 | Confident | 86.5 | Confident | 71 Ų | 71 | 51.5 Ų | 51.5 | 33% | 0.329 | 26% | 0.261 | S | S | . | . | I | π-helix | trans | -115.8 | -16.1 | -172.7 | -160.7 | -81.1 | 0 | 0 | 0 | 114 | G39 K45 F288 | G39-H43 WeakPolarHBondContact O-CA 3.28Å; G39-H43 WeakPolarHBondContact O-CB 3.3Å; G39-H43 PolarHBondContact O-N 2.53Å; G39-H43 VanDerWaalsContact O-N 3.08Å; H43-K45 PolarHBondContact O-N 3.02Å; H43-F288 HydrophobicContact CB-CD2 3.74Å; H43-F288 HydrophobicContact CB-CE2 3.98Å; H43-F288 HydrophobicContact CB-CG 4.37Å; H43-F288 AromaticContact CD2-CD2 3.52Å; H43-F288 AromaticContact CG-CD2 3.55Å |
| 44 | M | 80.1 | Confident | 86.5 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 11% | 0.108 | 26% | 0.262 | C | S | . | . | trans | -86.6 | 100.9 | -179.8 | -69.6 | -71 | -83.7 | 0 | 0 | 111.2 | G39 F40 T51 F285 | G39-M44 WeakPolarHBondContact O-CG 3.48Å; G39-M44 PolarHBondContact O-N 3.28Å; F40-M44 HydrophobicContact CD1-CG 4.38Å; F40-M44 WeakPolarHBondContact O-CB 3.25Å; M44-T51 HydrophobicContact CE-CG2 3.63Å; M44-F285 HydrophobicContact CE-CE2 4.3Å; M44-F285 HydrophobicContact CG-CZ 4.42Å; M44-F285 HydrophobicContact SD-CE2 4.44Å | ||
| 45 | K | 72.3 | Confident | 86.5 | Confident | 206 Ų | 206 | 53.1 Ų | 53.1 | 90% | 0.896 | 26% | 0.264 | S | S | * | . | trans | -73.1 | -22.7 | 178.6 | -64.1 | -172.7 | 177.7 | -171.8 | 0 | 114.4 | H43 | H43-K45 PolarHBondContact O-N 3.02Š| ||
| 46 | T | 79.6 | Confident | 86.8 | Confident | 97 Ų | 97 | 51.9 Ų | 51.9 | 60% | 0.595 | 26% | 0.256 | S | S | * | . | S | Bend | trans | -133.5 | 122.6 | -177.7 | 36.7 | 0 | 0 | 0 | 0 | 110.9 | ||
| 47 | W | 84.3 | Confident | 86.9 | Confident | 98 Ų | 98 | 51.9 Ų | 51.9 | 37% | 0.371 | 26% | 0.256 | S | S | . | . | trans | -89.5 | 131.9 | 175.9 | -72.8 | 76.6 | 0 | 0 | 0 | 110.1 | T51 V52 F55 N129 | W47-T51 HydrophobicContact CD2-CG2 4.48Å; W47-T51 HydrophobicContact CE3-CG2 4.04Å; W47-T51 HydrophobicContact CZ3-CG2 4.34Å; W47-V52 HydrophobicContact CE3-CG2 3.95Å; W47-F55 HydrophobicContact CH2-CB 4.13Å; W47-F55 HydrophobicContact CH2-CD1 4.18Å; W47-F55 AromaticContact CH2-CD2 3.9Å; W47-F55 HydrophobicContact CH2-CD2 3.9Å; W47-F55 HydrophobicContact CH2-CE2 4.34Å; W47-F55 AromaticContact CH2-CG 3.79Å; W47-F55 HydrophobicContact CH2-CG 3.79Å; W47-F55 HydrophobicContact CZ3-CB 3.91Å; W47-F55 HydrophobicContact CZ3-CD1 4.31Å; W47-F55 AromaticContact CZ3-CG 3.99Å; W47-F55 HydrophobicContact CZ3-CG 3.99Å; W47-N129 PolarHBondContact O-ND2 2.81Å; W47-N129 PolarHBondContact O-OD1 2.92Å | ||
| 48 | K | 85.8 | Confident | 87 | Confident | 122 Ų | 122 | 50.6 Ų | 50.6 | 53% | 0.53 | 25% | 0.249 | S | C | . | . | trans | -123.3 | 158.5 | 173.9 | -64.5 | 178.4 | -177.1 | 175.2 | 0 | 108.3 | S50 T51 V52 | K48-S50 VanDerWaalsContact C-N 3.29Å; K48-S50 PolarHBondContact O-N 3.46Å; K48-S50 VanDerWaalsContact O-N 3.17Å; K48-T51 WeakPolarHBondContact O-CA 3.44Å; K48-T51 VanDerWaalsContact O-CB 3.26Å; K48-T51 WeakPolarHBondContact O-CB 3.03Å; K48-T51 PolarHBondContact O-N 2.9Å; K48-V52 PolarHBondContact O-N 3.4Å; K48-V52 VanDerWaalsContact O-N 3.13Å | ||
| 49 | P | 86.3 | Confident | 87.2 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 12% | 0.117 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -49.2 | -46.1 | 178 | -31.4 | 36.5 | 0 | 0 | 0 | 113.9 | T51 V52 Y53 I127 A132 | P49-T51 PolarHBondContact O-N 3.45Å; P49-V52 WeakPolarHBondContact O-CB 3.18Å; P49-V52 PolarHBondContact O-N 2.9Å; P49-V52 VanDerWaalsContact O-N 3.08Å; P49-Y53 HydrophobicContact CB-CE2 4.27Å; P49-Y53 VanDerWaalsContact O-CD2 3.28Å; P49-Y53 WeakPolarHBondContact O-CD2 3.02Å; P49-Y53 PolarHBondContact O-N 2.99Å; P49-I127 HydrophobicContact CG-CG2 4.47Å; P49-I127 WeakPolarHBondContact CG-O 3.32Å; P49-A132 HydrophobicContact CB-CB 3.82Å; P49-A132 HydrophobicContact CG-CB 4.18Å |
| 50 | S | 84.6 | Confident | 87.5 | Confident | 6 Ų | 6 | 49.7 Ų | 49.7 | 4% | 0.042 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -60.3 | -31.6 | 176.7 | -33.3 | 0 | 0 | 0 | 0 | 113.8 | K48 L54 D112 K116 | K48-S50 VanDerWaalsContact C-N 3.29Å; K48-S50 PolarHBondContact O-N 3.46Å; K48-S50 VanDerWaalsContact O-N 3.17Å; S50-L54 WeakPolarHBondContact O-CD1 3.34Å; S50-L54 VanDerWaalsContact O-CG 3.26Å; S50-L54 WeakPolarHBondContact O-CG 3.38Å; S50-L54 PolarHBondContact O-N 3.36Å; S50-D112 WeakPolarHBondContact CB-OD2 3.43Å; S50-D112 PolarHBondContact OG-OD2 3.24Å; S50-K116 PolarHBondContact OG-NZ 2.92Å |
| 51 | T | 88.4 | Confident | 87.7 | Confident | 13 Ų | 13 | 49.7 Ų | 49.7 | 8% | 0.08 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -73.4 | -36.3 | 178 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | F40 M44 W47 K48 P49 L54 F55 | F40-T51 HydrophobicContact CD1-CG2 3.7Å; F40-T51 HydrophobicContact CE1-CG2 3.75Å; M44-T51 HydrophobicContact CE-CG2 3.63Å; W47-T51 HydrophobicContact CD2-CG2 4.48Å; W47-T51 HydrophobicContact CE3-CG2 4.04Å; W47-T51 HydrophobicContact CZ3-CG2 4.34Å; K48-T51 WeakPolarHBondContact O-CA 3.44Å; K48-T51 VanDerWaalsContact O-CB 3.26Å; K48-T51 WeakPolarHBondContact O-CB 3.03Å; K48-T51 PolarHBondContact O-N 2.9Å; P49-T51 PolarHBondContact O-N 3.45Å; T51-L54 PolarHBondContact O-N 3.17Å; T51-F55 VanDerWaalsContact O-CB 3.29Å; T51-F55 WeakPolarHBondContact O-CB 3.43Å; T51-F55 PolarHBondContact O-N 3.35Å |
| 52 | V | 91.7 | Very high | 87.9 | Confident | 15 Ų | 15 | 50.2 Ų | 50.2 | 9% | 0.091 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.6 | -46.4 | 175.3 | -176.2 | 0 | 0 | 0 | 0 | 110.2 | W47 K48 P49 L54 F55 N56 V136 | W47-V52 HydrophobicContact CE3-CG2 3.95Å; K48-V52 PolarHBondContact O-N 3.4Å; K48-V52 VanDerWaalsContact O-N 3.13Å; P49-V52 WeakPolarHBondContact O-CB 3.18Å; P49-V52 PolarHBondContact O-N 2.9Å; P49-V52 VanDerWaalsContact O-N 3.08Å; V52-L54 PolarHBondContact O-N 3.28Å; V52-F55 PolarHBondContact O-N 2.99Å; V52-N56 PolarHBondContact O-N 2.93Å; V52-N56 VanDerWaalsContact O-N 3.11Å; V52-N56 PolarHBondContact O-ND2 3.15Å; V52-V136 HydrophobicContact CG1-CG2 3.89Å |
| 53 | Y | 91.8 | Very high | 88.3 | Confident | 10 Ų | 10 | 45 Ų | 45 | 4% | 0.039 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 178.2 | -53 | -41.2 | 0 | 0 | 0 | 112.5 | P49 N56 L57 V108 V109 D112 A132 I135 V136 | P49-Y53 HydrophobicContact CB-CE2 4.27Å; P49-Y53 VanDerWaalsContact O-CD2 3.28Å; P49-Y53 WeakPolarHBondContact O-CD2 3.02Å; P49-Y53 PolarHBondContact O-N 2.99Å; Y53-N56 PolarHBondContact O-N 2.93Å; Y53-L57 PolarHBondContact O-N 2.93Å; Y53-V108 HydrophobicContact CD1-CG1 4.03Å; Y53-V108 HydrophobicContact CD2-CG1 3.76Å; Y53-V108 HydrophobicContact CE1-CG1 3.93Å; Y53-V108 HydrophobicContact CE2-CG1 3.64Å; Y53-V108 HydrophobicContact CG-CG1 3.97Å; Y53-V109 HydrophobicContact CD2-CG2 4.35Å; Y53-V109 HydrophobicContact CG-CG2 4.41Å; Y53-D112 HydrophobicContact CE2-CB 4.33Å; Y53-A132 HydrophobicContact CE1-CB 4.45Å; Y53-I135 HydrophobicContact CE1-CB 4.48Å; Y53-I135 HydrophobicContact CE1-CG2 4.13Å; Y53-V136 HydrophobicContact CD1-CG2 3.52Å; Y53-V136 HydrophobicContact CE1-CG2 3.8Å |
| 54 | L | 91.3 | Very high | 88.8 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -70.3 | -31.3 | 179.5 | -68.4 | 168.8 | 0 | 0 | 0 | 113.3 | F40 S50 T51 V52 L57 A58 V109 V277 Y278 S281 | F40-L54 HydrophobicContact CE1-CB 4.29Å; F40-L54 HydrophobicContact CZ-CB 3.81Å; S50-L54 WeakPolarHBondContact O-CD1 3.34Å; S50-L54 VanDerWaalsContact O-CG 3.26Å; S50-L54 WeakPolarHBondContact O-CG 3.38Å; S50-L54 PolarHBondContact O-N 3.36Å; T51-L54 PolarHBondContact O-N 3.17Å; V52-L54 PolarHBondContact O-N 3.28Å; L54-L57 HydrophobicContact CD2-CD2 4.29Å; L54-A58 PolarHBondContact O-N 3Å; L54-V109 HydrophobicContact CD2-CG1 4.29Å; L54-V109 HydrophobicContact CD2-CG2 3.98Å; L54-V109 HydrophobicContact CG-CG2 4.11Å; L54-V277 HydrophobicContact CD2-CG1 3.95Å; L54-Y278 HydrophobicContact CB-CD1 4.05Å; L54-Y278 HydrophobicContact CB-CE1 4.07Å; L54-Y278 HydrophobicContact CD2-CD1 3.95Å; L54-Y278 HydrophobicContact CD2-CE1 3.94Å; L54-Y278 HydrophobicContact CG-CD1 4.44Å; L54-Y278 WeakPolarHBondContact O-CE1 3.32Å; L54-S281 VanDerWaalsContact CD1-CB 3.44Å; L54-S281 WeakPolarHBondContact CD1-OG 3.23Å |
| 55 | F | 92.6 | Very high | 89.4 | Confident | 49 Ų | 49 | 40.9 Ų | 40.9 | 22% | 0.215 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -63.8 | -44 | 172.1 | 175 | -100.8 | 0 | 0 | 0 | 111 | L37 F40 W47 T51 V52 A58 V59 | L37-F55 HydrophobicContact CD2-CD2 3.9Å; L37-F55 HydrophobicContact CD2-CE2 3.66Å; L37-F55 HydrophobicContact CD2-CZ 4.39Å; F40-F55 HydrophobicContact CB-CD2 3.58Å; F40-F55 HydrophobicContact CB-CE2 4.18Å; F40-F55 HydrophobicContact CD1-CB 4.35Å; F40-F55 HydrophobicContact CD2-CB 4.47Å; F40-F55 HydrophobicContact CD2-CD2 4.05Å; F40-F55 HydrophobicContact CG-CB 4.32Å; F40-F55 AromaticContact CG-CD2 3.88Å; F40-F55 HydrophobicContact CG-CD2 3.88Å; W47-F55 HydrophobicContact CH2-CB 4.13Å; W47-F55 HydrophobicContact CH2-CD1 4.18Å; W47-F55 AromaticContact CH2-CD2 3.9Å; W47-F55 HydrophobicContact CH2-CD2 3.9Å; W47-F55 HydrophobicContact CH2-CE2 4.34Å; W47-F55 AromaticContact CH2-CG 3.79Å; W47-F55 HydrophobicContact CH2-CG 3.79Å; W47-F55 HydrophobicContact CZ3-CB 3.91Å; W47-F55 HydrophobicContact CZ3-CD1 4.31Å; W47-F55 AromaticContact CZ3-CG 3.99Å; W47-F55 HydrophobicContact CZ3-CG 3.99Å; T51-F55 VanDerWaalsContact O-CB 3.29Å; T51-F55 WeakPolarHBondContact O-CB 3.43Å; T51-F55 PolarHBondContact O-N 3.35Å; V52-F55 PolarHBondContact O-N 2.99Å; F55-A58 PolarHBondContact O-N 3.06Å; F55-V59 HydrophobicContact CD1-CG2 4.26Å; F55-V59 HydrophobicContact CE1-CG2 3.83Å; F55-V59 HydrophobicContact CE2-CG2 4.36Å; F55-V59 HydrophobicContact CZ-CG2 3.89Å; F55-V59 WeakPolarHBondContact O-CG2 2.89Å; F55-V59 PolarHBondContact O-N 2.95Å |
| 56 | N | 94.1 | Very high | 90.2 | Very high | 23 Ų | 23 | 35.5 Ų | 35.5 | 12% | 0.123 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -68.3 | -35.5 | 178.5 | -77.6 | -89.5 | 0 | 0 | 0 | 112.7 | V52 Y53 V59 A60 F105 V136 W140 | V52-N56 PolarHBondContact O-N 2.93Å; V52-N56 VanDerWaalsContact O-N 3.11Å; V52-N56 PolarHBondContact O-ND2 3.15Å; Y53-N56 PolarHBondContact O-N 2.93Å; N56-V59 PolarHBondContact O-N 3.46Å; N56-A60 PolarHBondContact O-N 2.99Å; N56-F105 HydrophobicContact CB-CD1 4.4Å; N56-F105 HydrophobicContact CB-CE1 3.86Å; N56-F105 HydrophobicContact CB-CE2 4.07Å; N56-F105 HydrophobicContact CB-CZ 3.7Å; N56-V136 HydrophobicContact CB-CG1 4.24Å; N56-V136 WeakPolarHBondContact ND2-CG1 3.13Å; N56-V136 VanDerWaalsContact OD1-CG1 3.3Å; N56-V136 WeakPolarHBondContact OD1-CG1 3.35Å; N56-W140 HydrophobicContact CB-CZ2 4.45Å; N56-W140 PolarHBondContact OD1-NE1 2.95Å |
| 57 | L | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -56.8 | -49.9 | 168.6 | -175.8 | 64.1 | 0 | 0 | 0 | 110.8 | Y53 L54 V59 A60 D61 S102 F105 L106 Y278 | Y53-L57 PolarHBondContact O-N 2.93Å; L54-L57 HydrophobicContact CD2-CD2 4.29Å; L57-V59 VanDerWaalsContact C-N 3.3Å; L57-V59 PolarHBondContact O-N 3.47Å; L57-A60 WeakPolarHBondContact O-CB 3.26Å; L57-A60 PolarHBondContact O-N 3.19Å; L57-A60 VanDerWaalsContact O-N 3.1Å; L57-D61 PolarHBondContact O-N 3.49Å; L57-S102 VanDerWaalsContact CD1-CA 3.48Å; L57-S102 WeakPolarHBondContact CD1-OG 3.16Å; L57-F105 HydrophobicContact CB-CB 4.19Å; L57-F105 HydrophobicContact CD1-CB 4.14Å; L57-L106 HydrophobicContact CD2-CD2 3.72Å; L57-L106 HydrophobicContact CD2-CG 4.15Å; L57-Y278 HydrophobicContact CB-CE1 4.49Å; L57-Y278 HydrophobicContact CD2-CE1 4.05Å; L57-Y278 HydrophobicContact CG-CE1 4.44Å; L57-Y278 WeakPolarHBondContact CG-OH 3.38Å |
| 58 | A | 93.7 | Very high | 91 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.5 | -33.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | L37 F40 L54 F55 F62 Y278 | L37-A58 HydrophobicContact CD2-CB 3.73Å; L37-A58 HydrophobicContact CG-CB 3.99Å; F40-A58 HydrophobicContact CE2-CB 4.21Å; L54-A58 PolarHBondContact O-N 3Å; F55-A58 PolarHBondContact O-N 3.06Å; A58-F62 VanDerWaalsContact O-CB 3.32Å; A58-F62 WeakPolarHBondContact O-CB 3.46Å; A58-F62 PolarHBondContact O-N 3.32Å; A58-Y278 VanDerWaalsContact CA-OH 3.23Å; A58-Y278 WeakPolarHBondContact CA-OH 3.41Å; A58-Y278 HydrophobicContact CB-CE1 4.43Å; A58-Y278 HydrophobicContact CB-CE2 4.12Å; A58-Y278 PolarHBondContact N-OH 2.86Å; A58-Y278 VanDerWaalsContact N-OH 3.08Å |
| 59 | V | 93.6 | Very high | 91.4 | Very high | 42 Ų | 42 | 23.9 Ų | 23.9 | 26% | 0.255 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -65.6 | -47 | 172.6 | 170.5 | 0 | 0 | 0 | 0 | 110.4 | L37 F55 N56 L57 D61 F62 L63 | L37-V59 HydrophobicContact CD2-CG2 3.78Å; F55-V59 HydrophobicContact CD1-CG2 4.26Å; F55-V59 HydrophobicContact CE1-CG2 3.83Å; F55-V59 HydrophobicContact CE2-CG2 4.36Å; F55-V59 HydrophobicContact CZ-CG2 3.89Å; F55-V59 WeakPolarHBondContact O-CG2 2.89Å; F55-V59 PolarHBondContact O-N 2.95Å; N56-V59 PolarHBondContact O-N 3.46Å; L57-V59 VanDerWaalsContact C-N 3.3Å; L57-V59 PolarHBondContact O-N 3.47Å; V59-D61 VanDerWaalsContact C-N 3.31Å; V59-D61 PolarHBondContact O-N 3.47Å; V59-F62 PolarHBondContact O-N 2.97Å; V59-L63 HydrophobicContact CG1-CD1 4.19Å; V59-L63 HydrophobicContact CG1-CG 4.47Å; V59-L63 WeakPolarHBondContact O-CG 3.19Å; V59-L63 PolarHBondContact O-N 2.97Å |
| 60 | A | 93.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.3 | -44.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | N56 L57 L63 L64 N98 W140 | N56-A60 PolarHBondContact O-N 2.99Å; L57-A60 WeakPolarHBondContact O-CB 3.26Å; L57-A60 PolarHBondContact O-N 3.19Å; L57-A60 VanDerWaalsContact O-N 3.1Å; A60-L63 PolarHBondContact O-N 3.36Å; A60-L64 PolarHBondContact O-N 3.28Å; A60-N98 PolarHBondContact O-ND2 3.37Å; A60-W140 HydrophobicContact CB-CH2 3.67Å; A60-W140 HydrophobicContact CB-CZ2 4.22Å |
| 61 | D | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.5 | -40 | 177.9 | -65.9 | -36.8 | 0 | 0 | 0 | 112.3 | N33 L57 V59 L64 M65 N98 S102 S271 D274 Y278 | N33-D61 HydrophobicContact CB-CB 4.28Å; N33-D61 PolarHBondContact OD1-OD2 3.19Å; L57-D61 PolarHBondContact O-N 3.49Å; V59-D61 VanDerWaalsContact C-N 3.31Å; V59-D61 PolarHBondContact O-N 3.47Å; D61-L64 WeakPolarHBondContact O-CB 3.29Å; D61-L64 PolarHBondContact O-N 3.12Å; D61-M65 WeakPolarHBondContact O-CG 3.44Å; D61-M65 PolarHBondContact O-N 3.16Å; D61-N98 VanDerWaalsContact CA-ND2 3.32Å; D61-N98 WeakPolarHBondContact CA-ND2 3.33Å; D61-N98 PolarHBondContact N-ND2 2.95Å; D61-N98 PolarHBondContact OD1-ND2 2.86Å; D61-N98 VanDerWaalsContact OD1-ND2 3.11Å; D61-S102 PolarHBondContact OD1-OG 3.34Å; D61-S271 VanDerWaalsContact OD1-CB 3.29Å; D61-S271 WeakPolarHBondContact OD1-CB 3.04Å; D61-S271 PolarHBondContact OD1-OG 3.39Å; D61-D274 VanDerWaalsContact OD2-OD2 3.04Å; D61-Y278 PolarHBondContact OD2-OH 3.45Å |
| 62 | F | 91.4 | Very high | 92.1 | Very high | 85 Ų | 85 | 27.8 Ų | 27.8 | 37% | 0.373 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -67.1 | -38.1 | 178.1 | -167.8 | -94 | 0 | 0 | 0 | 112.2 | L37 A58 V59 L64 M65 | L37-F62 HydrophobicContact CD1-CB 3.68Å; L37-F62 HydrophobicContact CD1-CD1 4.45Å; L37-F62 HydrophobicContact CD1-CD2 4.04Å; L37-F62 HydrophobicContact CD1-CG 3.8Å; A58-F62 VanDerWaalsContact O-CB 3.32Å; A58-F62 WeakPolarHBondContact O-CB 3.46Å; A58-F62 PolarHBondContact O-N 3.32Å; V59-F62 PolarHBondContact O-N 2.97Å; F62-L64 VanDerWaalsContact C-N 3.32Å; F62-L64 PolarHBondContact O-N 3.41Å; F62-M65 WeakPolarHBondContact O-CB 3.4Å; F62-M65 PolarHBondContact O-N 2.99Å; F62-M65 VanDerWaalsContact O-N 3.15Å |
| 63 | L | 91.9 | Very high | 92.2 | Very high | 67 Ų | 67 | 28.9 Ų | 28.9 | 35% | 0.351 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -61 | -40.6 | 174.4 | -70.1 | 173.3 | 0 | 0 | 0 | 111.7 | V59 A60 M65 I66 T94 M97 | V59-L63 HydrophobicContact CG1-CD1 4.19Å; V59-L63 HydrophobicContact CG1-CG 4.47Å; V59-L63 WeakPolarHBondContact O-CG 3.19Å; V59-L63 PolarHBondContact O-N 2.97Å; A60-L63 PolarHBondContact O-N 3.36Å; L63-M65 VanDerWaalsContact C-N 3.28Å; L63-M65 PolarHBondContact O-N 2.86Å; L63-I66 HydrophobicContact CD2-CD1 4.39Å; L63-I66 WeakPolarHBondContact O-CB 3.46Å; L63-I66 PolarHBondContact O-N 3.39Å; L63-T94 HydrophobicContact CB-CG2 4.37Å; L63-M97 HydrophobicContact CD1-CE 4.08Å |
| 64 | L | 92 | Very high | 92.2 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.3 | -40.4 | 174.1 | 175.4 | 66.1 | 0 | 0 | 0 | 111.9 | A60 D61 F62 I66 C67 L68 L95 N98 Y268 | A60-L64 PolarHBondContact O-N 3.28Å; D61-L64 WeakPolarHBondContact O-CB 3.29Å; D61-L64 PolarHBondContact O-N 3.12Å; F62-L64 VanDerWaalsContact C-N 3.32Å; F62-L64 PolarHBondContact O-N 3.41Å; L64-I66 PolarHBondContact O-N 3.03Å; L64-C67 PolarHBondContact O-N 3.1Å; L64-L68 HydrophobicContact CD1-CD2 4.15Å; L64-L68 HydrophobicContact CG-CD2 4.29Å; L64-L68 HydrophobicContact CG-CG 4.31Å; L64-L68 PolarHBondContact O-N 3.48Å; L64-L68 VanDerWaalsContact O-N 3.14Å; L64-L95 HydrophobicContact CD1-CD1 3.65Å; L64-L95 HydrophobicContact CD1-CG 3.88Å; L64-N98 HydrophobicContact CB-CB 4.04Å; L64-N98 HydrophobicContact CD2-CB 4.42Å; L64-N98 WeakPolarHBondContact CD2-OD1 3.32Å; L64-Y268 HydrophobicContact CD2-CD1 4.23Å |
| 65 | M | 91.6 | Very high | 92 | Very high | 4 Ų | 4 | 28.5 Ų | 28.5 | 2% | 0.02 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60 | -28.6 | -179.8 | -60.6 | -59.1 | 124.6 | 0 | 0 | 112.8 | F26 A30 D61 F62 L63 C67 L68 P69 | F26-M65 HydrophobicContact CD2-CB 4.23Å; F26-M65 VanDerWaalsContact CD2-O 3.31Å; F26-M65 WeakPolarHBondContact CD2-O 3.5Å; F26-M65 HydrophobicContact CE2-CB 4.41Å; F26-M65 WeakPolarHBondContact CE2-O 3.43Å; A30-M65 HydrophobicContact CB-CB 4.48Å; A30-M65 HydrophobicContact CB-CG 4.31Å; D61-M65 WeakPolarHBondContact O-CG 3.44Å; D61-M65 PolarHBondContact O-N 3.16Å; F62-M65 WeakPolarHBondContact O-CB 3.4Å; F62-M65 PolarHBondContact O-N 2.99Å; F62-M65 VanDerWaalsContact O-N 3.15Å; L63-M65 VanDerWaalsContact C-N 3.28Å; L63-M65 PolarHBondContact O-N 2.86Å; M65-C67 VanDerWaalsContact C-N 3.3Å; M65-L68 HydrophobicContact CE-CD1 3.91Å; M65-L68 HydrophobicContact SD-CD1 3.72Å; M65-P69 WeakPolarHBondContact O-CD 3.35Å |
| 66 | I | 89.9 | Confident | 92 | Very high | 94 Ų | 94 | 31.3 Ų | 31.3 | 48% | 0.482 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -68.8 | -32 | 176.6 | -58.2 | 172.6 | 0 | 0 | 0 | 110.8 | L63 L64 F70 | L63-I66 HydrophobicContact CD2-CD1 4.39Å; L63-I66 WeakPolarHBondContact O-CB 3.46Å; L63-I66 PolarHBondContact O-N 3.39Å; L64-I66 PolarHBondContact O-N 3.03Å; I66-F70 WeakPolarHBondContact O-CD2 3.36Å |
| 67 | C | 90.5 | Very high | 91.7 | Very high | 16 Ų | 16 | 36.4 Ų | 36.4 | 11% | 0.108 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -85 | -25.8 | -179.3 | -64.6 | 0 | 0 | 0 | 0 | 113.7 | L64 M65 F70 R71 T94 L95 | L64-C67 PolarHBondContact O-N 3.1Å; M65-C67 VanDerWaalsContact C-N 3.3Å; C67-F70 PolarHBondContact O-N 2.93Å; C67-R71 PolarHBondContact O-N 2.93Å; C67-T94 VanDerWaalsContact SG-CB 3.56Å; C67-L95 HydrophobicContact CB-CD1 4.23Å |
| 68 | L | 90.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -56.7 | -42.5 | -176.9 | -69.4 | -173.7 | 0 | 0 | 0 | 114.2 | L22 A25 F26 L64 M65 F70 R71 T72 Y268 | L22-L68 HydrophobicContact CD2-CD2 4.2Å; A25-L68 HydrophobicContact CB-CD1 4.13Å; F26-L68 HydrophobicContact CB-CB 4.35Å; F26-L68 HydrophobicContact CB-CD1 4.13Å; F26-L68 HydrophobicContact CD2-CB 4.43Å; L64-L68 HydrophobicContact CD1-CD2 4.15Å; L64-L68 HydrophobicContact CG-CD2 4.29Å; L64-L68 HydrophobicContact CG-CG 4.31Å; L64-L68 PolarHBondContact O-N 3.48Å; L64-L68 VanDerWaalsContact O-N 3.14Å; M65-L68 HydrophobicContact CE-CD1 3.91Å; M65-L68 HydrophobicContact SD-CD1 3.72Å; L68-F70 VanDerWaalsContact C-N 3.34Å; L68-F70 PolarHBondContact O-N 3.34Å; L68-R71 CarbonylContact O-C 3.56Å; L68-R71 WeakPolarHBondContact O-CB 3.21Å; L68-R71 PolarHBondContact O-N 2.83Å; L68-R71 VanDerWaalsContact O-N 3.07Å; L68-T72 PolarHBondContact O-N 3.44Å; L68-T72 PolarHBondContact O-OG1 2.94Å; L68-T72 VanDerWaalsContact O-OG1 3.07Å; L68-Y268 HydrophobicContact CD2-CD1 4.16Å; L68-Y268 HydrophobicContact CD2-CE1 4.23Å |
| 69 | P | 92.9 | Very high | 91 | Very high | 57 Ų | 57 | 45.1 Ų | 45.1 | 37% | 0.37 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -58.4 | -41.3 | 178.5 | -27.2 | 35.2 | 0 | 0 | 0 | 113.8 | F26 M65 R71 T72 D73 | F26-P69 HydrophobicContact CD2-CG 4.09Å; F26-P69 HydrophobicContact CE2-CG 3.91Å; F26-P69 HydrophobicContact CZ-CG 4.41Å; M65-P69 WeakPolarHBondContact O-CD 3.35Å; P69-R71 VanDerWaalsContact C-N 3.29Å; P69-R71 PolarHBondContact O-N 3.48Å; P69-T72 PolarHBondContact O-N 3.42Å; P69-D73 PolarHBondContact O-N 3.1Å |
| 70 | F | 92.4 | Very high | 90.7 | Very high | 90 Ų | 90 | 46.7 Ų | 46.7 | 40% | 0.395 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.5 | -39.3 | 176.3 | -63.3 | -88.1 | 0 | 0 | 0 | 111.1 | I66 C67 L68 Y74 W81 F83 | I66-F70 WeakPolarHBondContact O-CD2 3.36Å; C67-F70 PolarHBondContact O-N 2.93Å; L68-F70 VanDerWaalsContact C-N 3.34Å; L68-F70 PolarHBondContact O-N 3.34Å; F70-Y74 WeakPolarHBondContact O-CB 3.4Å; F70-Y74 PolarHBondContact O-N 3.41Å; F70-W81 HydrophobicContact CB-CH2 4.01Å; F70-W81 HydrophobicContact CB-CZ3 4.41Å; F70-F83 HydrophobicContact CB-CE2 4.38Å; F70-F83 AromaticContact CD1-CD1 3.95Å; F70-F83 HydrophobicContact CD1-CD1 3.95Å; F70-F83 AromaticContact CD1-CD2 4Å; F70-F83 HydrophobicContact CD1-CD2 4Å; F70-F83 AromaticContact CD1-CE1 3.87Å; F70-F83 HydrophobicContact CD1-CE1 3.87Å; F70-F83 AromaticContact CD1-CE2 3.93Å; F70-F83 HydrophobicContact CD1-CE2 3.93Å; F70-F83 HydrophobicContact CD1-CG 4.02Å; F70-F83 AromaticContact CD1-CZ 3.86Å; F70-F83 HydrophobicContact CD1-CZ 3.86Å; F70-F83 HydrophobicContact CE1-CD1 4.12Å; F70-F83 HydrophobicContact CE1-CE1 4.09Å; F70-F83 HydrophobicContact CE1-CZ 4.49Å |
| 71 | R | 90.7 | Very high | 90.6 | Very high | 16 Ų | 16 | 47.2 Ų | 47.2 | 6% | 0.06 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.7 | -35.3 | 176.7 | -161.7 | 69.8 | 179.5 | 174.9 | 2.8 | 112.1 | L22 C67 L68 P69 Y74 Y75 C165 E166 | L22-R71 HydrophobicContact CD1-CB 4.06Å; L22-R71 HydrophobicContact CD1-CG 3.89Å; C67-R71 PolarHBondContact O-N 2.93Å; L68-R71 CarbonylContact O-C 3.56Å; L68-R71 WeakPolarHBondContact O-CB 3.21Å; L68-R71 PolarHBondContact O-N 2.83Å; L68-R71 VanDerWaalsContact O-N 3.07Å; P69-R71 VanDerWaalsContact C-N 3.29Å; P69-R71 PolarHBondContact O-N 3.48Å; R71-Y74 WeakPolarHBondContact O-CB 3.39Å; R71-Y74 PolarHBondContact O-N 3.31Å; R71-Y75 HydrophobicContact CG-CD2 4.23Å; R71-Y75 HydrophobicContact CG-CE2 3.74Å; R71-Y75 PolarHBondContact NH2-OH 3Å; R71-Y75 WeakPolarHBondContact O-CD2 3.49Å; R71-Y75 PolarHBondContact O-N 3.42Å; R71-Y75 VanDerWaalsContact O-N 3.17Å; R71-C165 PolarHBondContact NH1-O 3.26Å; R71-E166 IonicContact CZ-OE1 3.72Å; R71-E166 IonicContact CZ-OE2 3.4Å; R71-E166 IonicContact NH1-OE2 3.06Å; R71-E166 IonicContact NH2-OE1 2.75Å; R71-E166 PolarHBondContact NH2-OE1 3.01Å; R71-E166 VanDerWaalsContact NH2-OE1 3.08Å; R71-E166 IonicContact NH2-OE2 2.89Å; R71-E166 PolarHBondContact NH2-OE2 3.21Å |
| 72 | T | 92 | Very high | 90.5 | Very high | 13 Ų | 13 | 49.9 Ų | 49.9 | 8% | 0.08 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64 | -48.8 | 173.2 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | P19 L22 I23 L68 P69 Y74 Y75 L76 | P19-T72 HydrophobicContact CB-CG2 4.15Å; L22-T72 VanDerWaalsContact CB-OG1 3.31Å; L22-T72 WeakPolarHBondContact CB-OG1 3.28Å; I23-T72 HydrophobicContact CD1-CG2 4.11Å; I23-T72 HydrophobicContact CG1-CG2 3.81Å; L68-T72 PolarHBondContact O-N 3.44Å; L68-T72 PolarHBondContact O-OG1 2.94Å; L68-T72 VanDerWaalsContact O-OG1 3.07Å; P69-T72 PolarHBondContact O-N 3.42Å; T72-Y74 VanDerWaalsContact C-N 3.3Å; T72-Y74 PolarHBondContact O-N 3Å; T72-Y75 PolarHBondContact O-N 3.44Å; T72-L76 HydrophobicContact CG2-CD1 4.05Å; T72-L76 HydrophobicContact CG2-CG 4.44Å; T72-L76 WeakPolarHBondContact O-CG 3.27Å; T72-L76 PolarHBondContact O-N 3.02Å |
| 73 | D | 93.4 | Very high | 90.5 | Very high | 38 Ų | 38 | 49.4 Ų | 49.4 | 20% | 0.203 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -41.8 | 176.7 | 177.9 | 83.2 | 0 | 0 | 0 | 111.3 | P69 Y75 L76 R77 F83 | P69-D73 PolarHBondContact O-N 3.1Å; D73-Y75 PolarHBondContact O-N 2.94Å; D73-L76 PolarHBondContact O-N 3.04Å; D73-R77 VanDerWaalsContact CG-NE 3.26Å; D73-R77 WeakPolarHBondContact O-CG 3.45Å; D73-R77 PolarHBondContact O-N 3Å; D73-R77 IonicContact OD1-CZ 3.01Å; D73-R77 IonicContact OD1-NE 3.68Å; D73-R77 PolarHBondContact OD1-NE 3.37Å; D73-R77 IonicContact OD1-NH2 3.82Å; D73-R77 PolarHBondContact OD1-NH2 3.49Å; D73-R77 WeakPolarHBondContact OD2-CD 3.39Å; D73-R77 IonicContact OD2-CZ 2.8Å; D73-R77 IonicContact OD2-NE 3.85Å; D73-R77 PolarHBondContact OD2-NE 3.23Å; D73-R77 IonicContact OD2-NH2 3.77Å; D73-F83 HydrophobicContact CB-CE2 4.42Å; D73-F83 HydrophobicContact CB-CZ 4.37Å; D73-F83 WeakPolarHBondContact OD2-CE2 3.32Å; D73-F83 WeakPolarHBondContact OD2-CZ 3.35Å |
| 74 | Y | 90.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -52.8 | -50.4 | 172.5 | 169.1 | -108.7 | 0 | 0 | 0 | 112.6 | F70 R71 T72 R77 R79 W81 C165 E166 | F70-Y74 WeakPolarHBondContact O-CB 3.4Å; F70-Y74 PolarHBondContact O-N 3.41Å; R71-Y74 WeakPolarHBondContact O-CB 3.39Å; R71-Y74 PolarHBondContact O-N 3.31Å; T72-Y74 VanDerWaalsContact C-N 3.3Å; T72-Y74 PolarHBondContact O-N 3Å; Y74-R77 PolarHBondContact O-N 3.29Å; Y74-R79 HydrophobicContact CD2-CB 4.41Å; Y74-R79 HydrophobicContact CE1-CB 3.97Å; Y74-R79 HydrophobicContact CE1-CG 4Å; Y74-R79 VanDerWaalsContact CE2-CA 3.4Å; Y74-R79 HydrophobicContact CE2-CB 3.72Å; Y74-R79 WeakPolarHBondContact CE2-O 3.32Å; Y74-R79 VanDerWaalsContact CZ-CB 3.48Å; Y74-R79 WeakPolarHBondContact O-CA 3.37Å; Y74-R79 PolarHBondContact O-N 2.77Å; Y74-W81 HydrophobicContact CD2-CB 4Å; Y74-W81 AromaticContact CD2-CE3 3.77Å; Y74-W81 HydrophobicContact CD2-CE3 3.77Å; Y74-W81 HydrophobicContact CE2-CB 4.16Å; Y74-W81 AromaticContact CG-CE3 3.98Å; Y74-W81 HydrophobicContact CG-CE3 3.98Å; Y74-W81 HydrophobicContact CG-CZ3 4.49Å; Y74-C165 HydrophobicContact CE2-CB 4.49Å; Y74-E166 VanDerWaalsContact CE1-OE1 3.27Å; Y74-E166 WeakPolarHBondContact CE1-OE1 3.48Å; Y74-E166 WeakPolarHBondContact OH-CG 3.21Å; Y74-E166 PolarHBondContact OH-OE1 3.31Å |
| 75 | Y | 88.6 | Confident | 90.2 | Very high | 2 Ų | 2 | 49.7 Ų | 49.7 | 1% | 0.008 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -69.7 | -34 | 178.2 | -70.5 | -62.5 | 0 | 0 | 0 | 113.1 | I14 S15 M18 L22 R71 T72 D73 R77 R78 R79 | I14-Y75 HydrophobicContact CG2-CD1 3.95Å; I14-Y75 HydrophobicContact CG2-CE1 3.68Å; S15-Y75 WeakPolarHBondContact CB-O 3.3Å; M18-Y75 HydrophobicContact CB-CD1 3.96Å; M18-Y75 HydrophobicContact CB-CD2 3.51Å; M18-Y75 HydrophobicContact CB-CE1 4.28Å; M18-Y75 HydrophobicContact CB-CE2 3.82Å; M18-Y75 HydrophobicContact CB-CG 3.59Å; M18-Y75 HydrophobicContact CG-CD1 4.07Å; M18-Y75 HydrophobicContact CG-CD2 4.17Å; M18-Y75 HydrophobicContact CG-CE1 3.97Å; M18-Y75 HydrophobicContact CG-CE2 4.03Å; M18-Y75 HydrophobicContact CG-CG 4.19Å; L22-Y75 HydrophobicContact CD1-CD2 3.67Å; L22-Y75 HydrophobicContact CD1-CE2 3.8Å; R71-Y75 HydrophobicContact CG-CD2 4.23Å; R71-Y75 HydrophobicContact CG-CE2 3.74Å; R71-Y75 PolarHBondContact NH2-OH 3Å; R71-Y75 WeakPolarHBondContact O-CD2 3.49Å; R71-Y75 PolarHBondContact O-N 3.42Å; R71-Y75 VanDerWaalsContact O-N 3.17Å; T72-Y75 PolarHBondContact O-N 3.44Å; D73-Y75 PolarHBondContact O-N 2.94Å; Y75-R77 VanDerWaalsContact C-N 3.31Å; Y75-R77 PolarHBondContact O-N 3.11Å; Y75-R78 PolarHBondContact O-N 3.22Å; Y75-R78 VanDerWaalsContact O-N 3.14Å; Y75-R79 HydrophobicContact CD1-CG 3.92Å; Y75-R79 HydrophobicContact CE1-CG 4.25Å |
| 76 | L | 90.9 | Very high | 90.2 | Very high | 108 Ų | 108 | 55.6 Ų | 55.6 | 57% | 0.565 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -64.6 | -34.9 | 174.4 | -72.2 | 172.2 | 0 | 0 | 0 | 112.3 | P19 T72 D73 R78 | P19-L76 HydrophobicContact CB-CD2 3.7Å; P19-L76 HydrophobicContact CB-CG 3.96Å; P19-L76 HydrophobicContact CG-CD2 3.77Å; P19-L76 HydrophobicContact CG-CG 3.98Å; T72-L76 HydrophobicContact CG2-CD1 4.05Å; T72-L76 HydrophobicContact CG2-CG 4.44Å; T72-L76 WeakPolarHBondContact O-CG 3.27Å; T72-L76 PolarHBondContact O-N 3.02Å; D73-L76 PolarHBondContact O-N 3.04Å; L76-R78 PolarHBondContact O-N 3.08Å; L76-R78 VanDerWaalsContact O-N 3.16Å |
| 77 | R | 89.7 | Confident | 90.3 | Very high | 131 Ų | 131 | 53.5 Ų | 53.5 | 49% | 0.494 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 23.7 | 173.5 | -63.7 | -178.7 | -168.1 | -80.9 | -16.5 | 113.2 | D73 Y74 Y75 R79 H80 | D73-R77 VanDerWaalsContact CG-NE 3.26Å; D73-R77 WeakPolarHBondContact O-CG 3.45Å; D73-R77 PolarHBondContact O-N 3Å; D73-R77 IonicContact OD1-CZ 3.01Å; D73-R77 IonicContact OD1-NE 3.68Å; D73-R77 PolarHBondContact OD1-NE 3.37Å; D73-R77 IonicContact OD1-NH2 3.82Å; D73-R77 PolarHBondContact OD1-NH2 3.49Å; D73-R77 WeakPolarHBondContact OD2-CD 3.39Å; D73-R77 IonicContact OD2-CZ 2.8Å; D73-R77 IonicContact OD2-NE 3.85Å; D73-R77 PolarHBondContact OD2-NE 3.23Å; D73-R77 IonicContact OD2-NH2 3.77Å; Y74-R77 PolarHBondContact O-N 3.29Å; Y75-R77 VanDerWaalsContact C-N 3.31Å; Y75-R77 PolarHBondContact O-N 3.11Å; R77-R79 PolarHBondContact O-N 3.44Å; R77-H80 HydrophobicContact CB-CB 4.07Å; R77-H80 VanDerWaalsContact O-CB 3.3Å; R77-H80 WeakPolarHBondContact O-CB 3.41Å; R77-H80 PolarHBondContact O-N 3.05Å; R77-H80 VanDerWaalsContact O-N 3.1Å |
| 78 | R | 86.4 | Confident | 90.4 | Very high | 164 Ų | 164 | 52.8 Ų | 52.8 | 62% | 0.619 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 41.7 | -177.5 | -52.9 | -174.5 | -176.8 | -145.8 | 8.5 | 112.5 | D12 Y75 L76 | D12-R78 IonicContact OD1-CZ 3.77Å; D12-R78 IonicContact OD1-NH1 2.75Å; D12-R78 PolarHBondContact OD1-NH1 2.93Å; D12-R78 IonicContact OD2-NH1 3.92Å; Y75-R78 PolarHBondContact O-N 3.22Å; Y75-R78 VanDerWaalsContact O-N 3.14Å; L76-R78 PolarHBondContact O-N 3.08Å; L76-R78 VanDerWaalsContact O-N 3.16Å |
| 79 | R | 84.2 | Confident | 90.4 | Very high | 19 Ų | 19 | 54.8 Ų | 54.8 | 7% | 0.072 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 65 | 33.9 | -178.2 | -51.9 | -179.7 | -44.2 | -144.2 | -6.3 | 114.2 | I9 Y74 Y75 R77 | I9-R79 PolarHBondContact O-NH1 3.09Å; I9-R79 PolarHBondContact O-NH2 3.37Å; Y74-R79 HydrophobicContact CD2-CB 4.41Å; Y74-R79 HydrophobicContact CE1-CB 3.97Å; Y74-R79 HydrophobicContact CE1-CG 4Å; Y74-R79 VanDerWaalsContact CE2-CA 3.4Å; Y74-R79 HydrophobicContact CE2-CB 3.72Å; Y74-R79 WeakPolarHBondContact CE2-O 3.32Å; Y74-R79 VanDerWaalsContact CZ-CB 3.48Å; Y74-R79 WeakPolarHBondContact O-CA 3.37Å; Y74-R79 PolarHBondContact O-N 2.77Å; Y75-R79 HydrophobicContact CD1-CG 3.92Å; Y75-R79 HydrophobicContact CE1-CG 4.25Å; R77-R79 PolarHBondContact O-N 3.44Å |
| 80 | H | 87.9 | Confident | 90.4 | Very high | 74 Ų | 74 | 55.2 Ų | 55.2 | 34% | 0.343 | 28% | 0.276 | S | S | . | . | trans | -92.9 | 116.5 | 166 | -176.9 | 88.2 | 0 | 0 | 0 | 109.6 | R77 A162 V163 | R77-H80 HydrophobicContact CB-CB 4.07Å; R77-H80 VanDerWaalsContact O-CB 3.3Å; R77-H80 WeakPolarHBondContact O-CB 3.41Å; R77-H80 PolarHBondContact O-N 3.05Å; R77-H80 VanDerWaalsContact O-N 3.1Å; H80-A162 HydrophobicContact CB-CB 4.42Å; H80-V163 PolarHBondContact ND1-N 3.5Å | ||
| 81 | W | 90.4 | Very high | 90.3 | Very high | 12 Ų | 12 | 51.6 Ų | 51.6 | 5% | 0.045 | 26% | 0.264 | C | S | . | . | trans | -86.6 | 110.3 | 179.7 | -174.3 | -100.2 | 0 | 0 | 0 | 111.3 | F70 Y74 F83 G84 P87 C88 L156 V163 C165 | F70-W81 HydrophobicContact CB-CH2 4.01Å; F70-W81 HydrophobicContact CB-CZ3 4.41Å; Y74-W81 HydrophobicContact CD2-CB 4Å; Y74-W81 AromaticContact CD2-CE3 3.77Å; Y74-W81 HydrophobicContact CD2-CE3 3.77Å; Y74-W81 HydrophobicContact CE2-CB 4.16Å; Y74-W81 AromaticContact CG-CE3 3.98Å; Y74-W81 HydrophobicContact CG-CE3 3.98Å; Y74-W81 HydrophobicContact CG-CZ3 4.49Å; W81-F83 HydrophobicContact CD2-CD2 4.16Å; W81-F83 AromaticContact CE2-CD2 3.95Å; W81-F83 HydrophobicContact CE3-CD2 4.22Å; W81-F83 AromaticContact CH2-CD2 3.91Å; W81-F83 HydrophobicContact CH2-CD2 3.91Å; W81-F83 HydrophobicContact CZ2-CB 3.8Å; W81-F83 AromaticContact CZ2-CD2 3.84Å; W81-F83 HydrophobicContact CZ2-CD2 3.84Å; W81-F83 HydrophobicContact CZ2-CG 4.26Å; W81-F83 HydrophobicContact CZ3-CD2 4.09Å; W81-G84 PolarHBondContact NE1-O 3.33Å; W81-P87 HydrophobicContact CZ2-CB 3.91Å; W81-C88 HydrophobicContact CZ2-CB 4.08Å; W81-L156 HydrophobicContact CG-CD2 4.42Å; W81-V163 WeakPolarHBondContact CB-O 3.16Å; W81-V163 PolarHBondContact N-O 2.86Å; W81-C165 HydrophobicContact CB-CB 3.81Å; W81-C165 HydrophobicContact CD2-CB 3.53Å; W81-C165 HydrophobicContact CE3-CB 3.76Å; W81-C165 HydrophobicContact CG-CB 3.55Å | ||
| 82 | A | 91.9 | Very high | 90.3 | Very high | 55 Ų | 55 | 51.4 Ų | 51.4 | 46% | 0.455 | 26% | 0.264 | S | S | . | . | trans | -93.9 | -6.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 83 | F | 90.8 | Very high | 90.2 | Very high | 75 Ų | 75 | 51.9 Ų | 51.9 | 33% | 0.329 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -98.8 | 0.7 | -166.4 | -53.5 | -77 | 0 | 0 | 0 | 114.5 | F70 D73 W81 P87 | F70-F83 HydrophobicContact CB-CE2 4.38Å; F70-F83 AromaticContact CD1-CD1 3.95Å; F70-F83 HydrophobicContact CD1-CD1 3.95Å; F70-F83 AromaticContact CD1-CD2 4Å; F70-F83 HydrophobicContact CD1-CD2 4Å; F70-F83 AromaticContact CD1-CE1 3.87Å; F70-F83 HydrophobicContact CD1-CE1 3.87Å; F70-F83 AromaticContact CD1-CE2 3.93Å; F70-F83 HydrophobicContact CD1-CE2 3.93Å; F70-F83 HydrophobicContact CD1-CG 4.02Å; F70-F83 AromaticContact CD1-CZ 3.86Å; F70-F83 HydrophobicContact CD1-CZ 3.86Å; F70-F83 HydrophobicContact CE1-CD1 4.12Å; F70-F83 HydrophobicContact CE1-CE1 4.09Å; F70-F83 HydrophobicContact CE1-CZ 4.49Å; D73-F83 HydrophobicContact CB-CE2 4.42Å; D73-F83 HydrophobicContact CB-CZ 4.37Å; D73-F83 WeakPolarHBondContact OD2-CE2 3.32Å; D73-F83 WeakPolarHBondContact OD2-CZ 3.35Å; W81-F83 HydrophobicContact CD2-CD2 4.16Å; W81-F83 AromaticContact CE2-CD2 3.95Å; W81-F83 HydrophobicContact CE3-CD2 4.22Å; W81-F83 AromaticContact CH2-CD2 3.91Å; W81-F83 HydrophobicContact CH2-CD2 3.91Å; W81-F83 HydrophobicContact CZ2-CB 3.8Å; W81-F83 AromaticContact CZ2-CD2 3.84Å; W81-F83 HydrophobicContact CZ2-CD2 3.84Å; W81-F83 HydrophobicContact CZ2-CG 4.26Å; W81-F83 HydrophobicContact CZ3-CD2 4.09Å; F83-P87 HydrophobicContact CB-CB 3.85Å; F83-P87 HydrophobicContact CB-CG 4.07Å; F83-P87 VanDerWaalsContact O-CD 3.23Å; F83-P87 WeakPolarHBondContact O-CD 3.32Å; F83-P87 VanDerWaalsContact O-CG 3.25Å; F83-P87 WeakPolarHBondContact O-CG 3.24Å |
| 84 | G | 90.2 | Very high | 90.1 | Very high | 35 Ų | 35 | 50.7 Ų | 50.7 | 36% | 0.361 | 26% | 0.259 | S | S | . | . | trans | 76.4 | -176.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | W81 C88 | W81-G84 PolarHBondContact NE1-O 3.33Å; G84-C88 PolarHBondContact O-N 3.49Å | ||
| 85 | D | 88.6 | Confident | 90.1 | Very high | 40 Ų | 40 | 52.1 Ų | 52.1 | 21% | 0.214 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.5 | -48.1 | -167.8 | 178.8 | 51.5 | 0 | 0 | 0 | 113.5 | C88 R89 N154 L156 | D85-C88 WeakPolarHBondContact O-CA 3.41Å; D85-C88 VanDerWaalsContact O-CB 3.25Å; D85-C88 WeakPolarHBondContact O-CB 3.48Å; D85-C88 PolarHBondContact O-N 3.33Å; D85-R89 WeakPolarHBondContact O-CG 3.4Å; D85-R89 PolarHBondContact O-N 3.38Å; D85-R89 IonicContact OD1-CZ 3.64Å; D85-R89 IonicContact OD1-NE 2.84Å; D85-R89 PolarHBondContact OD1-NE 2.86Å; D85-R89 IonicContact OD1-NH2 3.97Å; D85-R89 IonicContact OD2-CZ 3.92Å; D85-R89 IonicContact OD2-NE 3.77Å; D85-R89 PolarHBondContact OD2-NE 3.44Å; D85-R89 IonicContact OD2-NH2 3.08Å; D85-R89 PolarHBondContact OD2-NH2 2.84Å; D85-N154 VanDerWaalsContact CG-OD1 3.29Å; D85-N154 PolarHBondContact OD1-OD1 3.2Å; D85-N154 VanDerWaalsContact OD1-OD1 3.13Å; D85-N154 PolarHBondContact OD2-OD1 3.46Å; D85-L156 HydrophobicContact CB-CD1 3.66Å; D85-L156 HydrophobicContact CB-CG 4.3Å |
| 86 | I | 92.1 | Very high | 90 | Very high | 128 Ų | 128 | 53.2 Ų | 53.2 | 66% | 0.656 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -57.9 | -50.8 | -175.1 | -63.1 | 166 | 0 | 0 | 0 | 111.9 | C88 R89 V90 | I86-C88 VanDerWaalsContact C-N 3.25Å; I86-C88 PolarHBondContact O-N 3.28Å; I86-R89 PolarHBondContact O-N 2.96Å; I86-V90 HydrophobicContact CG2-CG2 4.32Å; I86-V90 WeakPolarHBondContact O-CG2 3.05Å; I86-V90 PolarHBondContact O-N 3.41Å |
| 87 | P | 92.5 | Very high | 90 | Very high | 51 Ų | 51 | 48.7 Ų | 48.7 | 33% | 0.331 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.9 | -28.1 | 177.4 | -25.8 | 40.1 | 0 | 0 | 0 | 113.4 | W81 F83 G91 | W81-P87 HydrophobicContact CZ2-CB 3.91Å; F83-P87 HydrophobicContact CB-CB 3.85Å; F83-P87 HydrophobicContact CB-CG 4.07Å; F83-P87 VanDerWaalsContact O-CD 3.23Å; F83-P87 WeakPolarHBondContact O-CD 3.32Å; F83-P87 VanDerWaalsContact O-CG 3.25Å; F83-P87 WeakPolarHBondContact O-CG 3.24Å; P87-G91 PolarHBondContact O-N 3.35Å |
| 88 | C | 91.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.5 | -52.4 | 174.7 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | W81 G84 D85 I86 G91 L92 L156 C165 | W81-C88 HydrophobicContact CZ2-CB 4.08Å; G84-C88 PolarHBondContact O-N 3.49Å; D85-C88 WeakPolarHBondContact O-CA 3.41Å; D85-C88 VanDerWaalsContact O-CB 3.25Å; D85-C88 WeakPolarHBondContact O-CB 3.48Å; D85-C88 PolarHBondContact O-N 3.33Å; I86-C88 VanDerWaalsContact C-N 3.25Å; I86-C88 PolarHBondContact O-N 3.28Å; C88-G91 PolarHBondContact O-N 3.26Å; C88-L92 WeakPolarHBondContact O-CG 3.2Å; C88-L92 PolarHBondContact O-N 2.85Å; C88-L156 HydrophobicContact CB-CD2 3.89Å; C88-C165 WeakPolarHBondContact CA-SG 3.45Å; C88-C165 HydrophobicContact CB-CB 3.88Å; C88-C165 WeakPolarHBondContact CB-SG 3.49Å; C88-C165 VanDerWaalsContact SG-CA 3.59Å; C88-C165 WeakPolarHBondContact SG-CB 3.5Å; C88-C165 CovalentContact SG-SG 2.02Å; C88-C165 PolarHBondContact SG-SG 3.25Å |
| 89 | R | 91.8 | Very high | 90.2 | Very high | 43 Ų | 43 | 36.6 Ų | 36.6 | 16% | 0.162 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.3 | -46.8 | 178.8 | -62 | -169.8 | -161.8 | -166.1 | 1.2 | 112.5 | D85 I86 G91 L92 F93 L150 L151 L152 E153 N154 | D85-R89 WeakPolarHBondContact O-CG 3.4Å; D85-R89 PolarHBondContact O-N 3.38Å; D85-R89 IonicContact OD1-CZ 3.64Å; D85-R89 IonicContact OD1-NE 2.84Å; D85-R89 PolarHBondContact OD1-NE 2.86Å; D85-R89 IonicContact OD1-NH2 3.97Å; D85-R89 IonicContact OD2-CZ 3.92Å; D85-R89 IonicContact OD2-NE 3.77Å; D85-R89 PolarHBondContact OD2-NE 3.44Å; D85-R89 IonicContact OD2-NH2 3.08Å; D85-R89 PolarHBondContact OD2-NH2 2.84Å; I86-R89 PolarHBondContact O-N 2.96Å; R89-G91 VanDerWaalsContact C-N 3.31Å; R89-G91 PolarHBondContact O-N 3.06Å; R89-L92 PolarHBondContact O-N 3.47Å; R89-F93 WeakPolarHBondContact O-CB 3.4Å; R89-F93 PolarHBondContact O-N 3.37Å; R89-L150 WeakPolarHBondContact CB-O 3.47Å; R89-L151 HydrophobicContact CB-CD2 4.48Å; R89-L151 WeakPolarHBondContact CD-O 3.45Å; R89-L151 PolarHBondContact NH1-O 3.28Å; R89-L152 VanDerWaalsContact NH1-C 3.34Å; R89-L152 PolarHBondContact NH1-O 2.96Å; R89-E153 VanDerWaalsContact CD-O 3.26Å; R89-E153 WeakPolarHBondContact CD-O 3.37Å; R89-E153 PolarHBondContact NE-O 3.31Å; R89-N154 PolarHBondContact NH2-ND2 3.31Å; R89-N154 PolarHBondContact NH2-OD1 3.17Å |
| 90 | V | 92.5 | Very high | 90.4 | Very high | 65 Ų | 65 | 36.1 Ų | 36.1 | 39% | 0.394 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -61.5 | -40.6 | 177.2 | 172.4 | 0 | 0 | 0 | 0 | 111.4 | I86 T94 L151 | I86-V90 HydrophobicContact CG2-CG2 4.32Å; I86-V90 WeakPolarHBondContact O-CG2 3.05Å; I86-V90 PolarHBondContact O-N 3.41Å; V90-T94 WeakPolarHBondContact O-CB 3.41Å; V90-T94 PolarHBondContact O-N 3.04Å; V90-T94 PolarHBondContact O-OG1 3.09Å; V90-L151 HydrophobicContact CG2-CD2 4.16Å |
| 91 | G | 90.9 | Very high | 90.6 | Very high | 14 Ų | 14 | 32.6 Ų | 32.6 | 14% | 0.144 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -62.4 | -52.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | P87 C88 R89 F93 T94 L95 | P87-G91 PolarHBondContact O-N 3.35Å; C88-G91 PolarHBondContact O-N 3.26Å; R89-G91 VanDerWaalsContact C-N 3.31Å; R89-G91 PolarHBondContact O-N 3.06Å; G91-F93 PolarHBondContact O-N 3.4Å; G91-T94 PolarHBondContact O-N 3.33Å; G91-L95 WeakPolarHBondContact O-CD1 3.25Å; G91-L95 PolarHBondContact O-N 3.09Å |
| 92 | L | 88.8 | Confident | 90.7 | Very high | 12 Ų | 12 | 32 Ų | 32 | 6% | 0.063 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | 179.5 | -68 | 167 | 0 | 0 | 0 | 112 | C88 R89 L95 A96 H155 | C88-L92 WeakPolarHBondContact O-CG 3.2Å; C88-L92 PolarHBondContact O-N 2.85Å; R89-L92 PolarHBondContact O-N 3.47Å; L92-L95 PolarHBondContact O-N 2.93Å; L92-A96 PolarHBondContact O-N 3.02Å; L92-H155 HydrophobicContact CD1-CB 3.44Å; L92-H155 VanDerWaalsContact CD1-CB 3.44Å |
| 93 | F | 91.2 | Very high | 90.7 | Very high | 24 Ų | 24 | 29.6 Ų | 29.6 | 11% | 0.105 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -56.8 | -49.4 | 172.8 | 168.6 | -101.8 | 0 | 0 | 0 | 111.9 | R89 G91 L95 A96 M97 I144 T147 L150 L151 | R89-F93 WeakPolarHBondContact O-CB 3.4Å; R89-F93 PolarHBondContact O-N 3.37Å; G91-F93 PolarHBondContact O-N 3.4Å; F93-L95 VanDerWaalsContact C-N 3.31Å; F93-L95 PolarHBondContact O-N 2.95Å; F93-A96 PolarHBondContact O-N 2.85Å; F93-M97 HydrophobicContact CE1-CB 4.44Å; F93-M97 HydrophobicContact CE1-CE 4.35Å; F93-M97 HydrophobicContact CE1-SD 3.67Å; F93-M97 HydrophobicContact CE2-CB 4.44Å; F93-M97 HydrophobicContact CZ-CB 4.28Å; F93-M97 HydrophobicContact CZ-CG 4.28Å; F93-M97 HydrophobicContact CZ-SD 3.64Å; F93-M97 WeakPolarHBondContact O-CB 3.4Å; F93-M97 PolarHBondContact O-N 2.89Å; F93-I144 HydrophobicContact CE2-CG2 4.44Å; F93-I144 HydrophobicContact CZ-CG1 4.38Å; F93-I144 HydrophobicContact CZ-CG2 4.25Å; F93-T147 VanDerWaalsContact CE2-OG1 3.32Å; F93-T147 WeakPolarHBondContact CE2-OG1 3.09Å; F93-L150 HydrophobicContact CB-CB 4.27Å; F93-L151 HydrophobicContact CB-CD1 4.39Å; F93-L151 HydrophobicContact CB-CD2 3.64Å; F93-L151 HydrophobicContact CB-CG 3.69Å; F93-L151 HydrophobicContact CD1-CD1 3.95Å; F93-L151 HydrophobicContact CD1-CD2 4.14Å; F93-L151 HydrophobicContact CD1-CG 4.17Å; F93-L151 HydrophobicContact CD2-CD1 3.67Å; F93-L151 HydrophobicContact CD2-CD2 4.47Å; F93-L151 HydrophobicContact CD2-CG 3.7Å; F93-L151 HydrophobicContact CE1-CD1 4.12Å; F93-L151 HydrophobicContact CE2-CD1 3.85Å; F93-L151 HydrophobicContact CE2-CG 4.39Å; F93-L151 HydrophobicContact CG-CD1 3.71Å; F93-L151 HydrophobicContact CG-CD2 3.83Å; F93-L151 HydrophobicContact CG-CG 3.57Å; F93-L151 HydrophobicContact CZ-CD1 4.07Å |
| 94 | T | 91.7 | Very high | 90.8 | Very high | 13 Ų | 13 | 28 Ų | 28 | 8% | 0.08 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | -178.1 | -56 | 0 | 0 | 0 | 0 | 111.5 | L63 C67 V90 G91 M97 N98 | L63-T94 HydrophobicContact CB-CG2 4.37Å; C67-T94 VanDerWaalsContact SG-CB 3.56Å; V90-T94 WeakPolarHBondContact O-CB 3.41Å; V90-T94 PolarHBondContact O-N 3.04Å; V90-T94 PolarHBondContact O-OG1 3.09Å; G91-T94 PolarHBondContact O-N 3.33Å; T94-M97 HydrophobicContact CG2-CE 4.41Å; T94-N98 VanDerWaalsContact O-CB 3.28Å; T94-N98 WeakPolarHBondContact O-CB 3.25Å; T94-N98 PolarHBondContact O-N 2.99Å |
| 95 | L | 89 | Confident | 90.9 | Very high | 29 Ų | 29 | 26.4 Ų | 26.4 | 15% | 0.152 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.3 | -49.4 | 173.9 | -96.3 | 70.1 | 0 | 0 | 0 | 111.5 | L64 C67 G91 L92 F93 R99 Y268 | L64-L95 HydrophobicContact CD1-CD1 3.65Å; L64-L95 HydrophobicContact CD1-CG 3.88Å; C67-L95 HydrophobicContact CB-CD1 4.23Å; G91-L95 WeakPolarHBondContact O-CD1 3.25Å; G91-L95 PolarHBondContact O-N 3.09Å; L92-L95 PolarHBondContact O-N 2.93Å; F93-L95 VanDerWaalsContact C-N 3.31Å; F93-L95 PolarHBondContact O-N 2.95Å; L95-R99 WeakPolarHBondContact O-CB 3.32Å; L95-R99 PolarHBondContact O-N 2.88Å; L95-R99 VanDerWaalsContact O-N 3.08Å; L95-Y268 HydrophobicContact CD2-CE1 3.95Å; L95-Y268 VanDerWaalsContact CD2-OH 3.3Å; L95-Y268 WeakPolarHBondContact CD2-OH 3.39Å; L95-Y268 HydrophobicContact CG-CE1 4.14Å |
| 96 | A | 87.4 | Confident | 91 | Very high | 26 Ų | 26 | 24.5 Ų | 24.5 | 22% | 0.215 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -68 | -43.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.3 | L92 F93 R99 A100 T147 L150 | L92-A96 PolarHBondContact O-N 3.02Å; F93-A96 PolarHBondContact O-N 2.85Å; A96-R99 PolarHBondContact O-N 2.96Å; A96-A100 WeakPolarHBondContact O-CB 3.4Å; A96-A100 PolarHBondContact O-N 3.03Å; A96-T147 HydrophobicContact CB-CG2 3.75Å; A96-L150 HydrophobicContact CB-CD1 3.27Å |
| 97 | M | 90.8 | Very high | 91 | Very high | 13 Ų | 13 | 19 Ų | 19 | 6% | 0.064 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.3 | -44 | 177.5 | -177.5 | -168.6 | 66.5 | 0 | 0 | 111.2 | L63 F93 T94 G101 W140 V143 I144 | L63-M97 HydrophobicContact CD1-CE 4.08Å; F93-M97 HydrophobicContact CE1-CB 4.44Å; F93-M97 HydrophobicContact CE1-CE 4.35Å; F93-M97 HydrophobicContact CE1-SD 3.67Å; F93-M97 HydrophobicContact CE2-CB 4.44Å; F93-M97 HydrophobicContact CZ-CB 4.28Å; F93-M97 HydrophobicContact CZ-CG 4.28Å; F93-M97 HydrophobicContact CZ-SD 3.64Å; F93-M97 WeakPolarHBondContact O-CB 3.4Å; F93-M97 PolarHBondContact O-N 2.89Å; T94-M97 HydrophobicContact CG2-CE 4.41Å; M97-G101 WeakPolarHBondContact O-CA 3.02Å; M97-G101 PolarHBondContact O-N 3.15Å; M97-W140 HydrophobicContact CE-CZ3 4.28Å; M97-W140 HydrophobicContact CG-CZ3 4.03Å; M97-W140 HydrophobicContact SD-CE3 4.5Å; M97-W140 HydrophobicContact SD-CZ3 3.86Å; M97-V143 HydrophobicContact CB-CG1 4.44Å; M97-V143 HydrophobicContact CG-CG1 3.81Å; M97-V143 WeakPolarHBondContact O-CG1 3.23Å; M97-I144 HydrophobicContact SD-CG1 4.16Å |
| 98 | N | 92.2 | Very high | 91.1 | Very high | 5 Ų | 5 | 18.2 Ų | 18.2 | 3% | 0.027 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -61 | -49.6 | 174.4 | 172.6 | -91.2 | 0 | 0 | 0 | 110.7 | A60 D61 L64 T94 A100 G101 S102 | A60-N98 PolarHBondContact O-ND2 3.37Å; D61-N98 VanDerWaalsContact CA-ND2 3.32Å; D61-N98 WeakPolarHBondContact CA-ND2 3.33Å; D61-N98 PolarHBondContact N-ND2 2.95Å; D61-N98 PolarHBondContact OD1-ND2 2.86Å; D61-N98 VanDerWaalsContact OD1-ND2 3.11Å; L64-N98 HydrophobicContact CB-CB 4.04Å; L64-N98 HydrophobicContact CD2-CB 4.42Å; L64-N98 WeakPolarHBondContact CD2-OD1 3.32Å; T94-N98 VanDerWaalsContact O-CB 3.28Å; T94-N98 WeakPolarHBondContact O-CB 3.25Å; T94-N98 PolarHBondContact O-N 2.99Å; N98-A100 PolarHBondContact O-N 2.92Å; N98-G101 PolarHBondContact O-N 3.11Å; N98-S102 WeakPolarHBondContact O-CB 3.36Å; N98-S102 PolarHBondContact O-N 2.97Å; N98-S102 PolarHBondContact O-OG 3.32Å; N98-S102 VanDerWaalsContact O-OG 3.1Å |
| 99 | R | 88.3 | Confident | 91 | Very high | 35 Ų | 35 | 18.2 Ų | 18.2 | 13% | 0.132 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -56 | -54.6 | -179.7 | -172.2 | -166.9 | 174.1 | 174.7 | -1 | 112 | L95 A96 S102 I103 F181 Y233 S236 | L95-R99 WeakPolarHBondContact O-CB 3.32Å; L95-R99 PolarHBondContact O-N 2.88Å; L95-R99 VanDerWaalsContact O-N 3.08Å; A96-R99 PolarHBondContact O-N 2.96Å; R99-S102 PolarHBondContact O-N 3.45Å; R99-I103 HydrophobicContact CG-CD1 4.42Å; R99-I103 WeakPolarHBondContact O-CG1 3.29Å; R99-I103 PolarHBondContact O-N 3.18Å; R99-I103 VanDerWaalsContact O-N 3.17Å; R99-F181 VanDerWaalsContact NH2-CZ 3.34Å; R99-Y233 HydrophobicContact CG-CD1 4.41Å; R99-Y233 HydrophobicContact CG-CE1 3.82Å; R99-S236 PolarHBondContact NH2-OG 3.18Å |
| 100 | A | 88.9 | Confident | 91 | Very high | 9 Ų | 9 | 16.1 Ų | 16.1 | 7% | 0.074 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -65.3 | -42.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | A96 N98 S102 I103 V104 V143 E184 | A96-A100 WeakPolarHBondContact O-CB 3.4Å; A96-A100 PolarHBondContact O-N 3.03Å; N98-A100 PolarHBondContact O-N 2.92Å; A100-S102 PolarHBondContact O-N 3.24Å; A100-I103 PolarHBondContact O-N 2.83Å; A100-V104 WeakPolarHBondContact O-CB 3.19Å; A100-V104 WeakPolarHBondContact O-CG2 3.35Å; A100-V104 PolarHBondContact O-N 3.36Å; A100-V143 HydrophobicContact CB-CG1 3.98Å; A100-V143 HydrophobicContact CB-CG2 4.42Å; A100-E184 WeakPolarHBondContact CB-OE1 3.37Å |
| 101 | G | 92.1 | Very high | 91 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.6 | -48.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | M97 N98 I103 V104 F105 | M97-G101 WeakPolarHBondContact O-CA 3.02Å; M97-G101 PolarHBondContact O-N 3.15Å; N98-G101 PolarHBondContact O-N 3.11Å; G101-I103 PolarHBondContact O-N 3.15Å; G101-V104 PolarHBondContact O-N 3.26Å; G101-F105 WeakPolarHBondContact O-CB 3Å; G101-F105 WeakPolarHBondContact O-CD2 3.18Å; G101-F105 PolarHBondContact O-N 3.43Å |
| 102 | S | 92.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.6 | -40.9 | -179 | -66.4 | 0 | 0 | 0 | 0 | 112.4 | L57 D61 N98 R99 A100 L106 Y233 N270 | L57-S102 VanDerWaalsContact CD1-CA 3.48Å; L57-S102 WeakPolarHBondContact CD1-OG 3.16Å; D61-S102 PolarHBondContact OD1-OG 3.34Å; N98-S102 WeakPolarHBondContact O-CB 3.36Å; N98-S102 PolarHBondContact O-N 2.97Å; N98-S102 PolarHBondContact O-OG 3.32Å; N98-S102 VanDerWaalsContact O-OG 3.1Å; R99-S102 PolarHBondContact O-N 3.45Å; A100-S102 PolarHBondContact O-N 3.24Å; S102-L106 VanDerWaalsContact O-CB 3.26Å; S102-L106 WeakPolarHBondContact O-CB 3.39Å; S102-L106 WeakPolarHBondContact O-CG 3.17Å; S102-L106 PolarHBondContact O-N 3.43Å; S102-Y233 VanDerWaalsContact CB-OH 3.28Å; S102-Y233 WeakPolarHBondContact CB-OH 3.4Å; S102-N270 VanDerWaalsContact CB-ND2 3.31Å; S102-N270 WeakPolarHBondContact CB-ND2 3.47Å |
| 103 | I | 91.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -56 | -54.7 | 172.1 | -70.4 | 169.1 | 0 | 0 | 0 | 110.4 | R99 A100 G101 F105 L106 T107 P188 F229 Y233 | R99-I103 HydrophobicContact CG-CD1 4.42Å; R99-I103 WeakPolarHBondContact O-CG1 3.29Å; R99-I103 PolarHBondContact O-N 3.18Å; R99-I103 VanDerWaalsContact O-N 3.17Å; A100-I103 PolarHBondContact O-N 2.83Å; G101-I103 PolarHBondContact O-N 3.15Å; I103-F105 PolarHBondContact O-N 3.5Å; I103-L106 PolarHBondContact O-N 3Å; I103-T107 PolarHBondContact O-N 3.41Å; I103-T107 PolarHBondContact O-OG1 3.27Å; I103-P188 HydrophobicContact CG2-CB 3.64Å; I103-P188 HydrophobicContact CG2-CG 3.55Å; I103-F229 HydrophobicContact CB-CE2 4.11Å; I103-F229 HydrophobicContact CG1-CE2 3.83Å; I103-F229 HydrophobicContact CG1-CZ 4.24Å; I103-F229 HydrophobicContact CG2-CE2 3.9Å; I103-F229 HydrophobicContact CG2-CZ 4.1Å; I103-Y233 HydrophobicContact CD1-CD1 4.04Å; I103-Y233 HydrophobicContact CD1-CE1 3.91Å; I103-Y233 HydrophobicContact CG1-CD1 4.17Å; I103-Y233 HydrophobicContact CG1-CD2 4.47Å; I103-Y233 HydrophobicContact CG1-CE1 3.76Å; I103-Y233 HydrophobicContact CG1-CE2 4.12Å |
| 104 | V | 92.4 | Very high | 90.8 | Very high | 42 Ų | 42 | 16.6 Ų | 16.6 | 26% | 0.255 | 9% | 0.09 | S | C | . | . | H | α-helix | trans | -62 | -47 | -176.5 | 167.3 | 0 | 0 | 0 | 0 | 111.9 | A100 G101 T107 V108 L139 V143 | A100-V104 WeakPolarHBondContact O-CB 3.19Å; A100-V104 WeakPolarHBondContact O-CG2 3.35Å; A100-V104 PolarHBondContact O-N 3.36Å; G101-V104 PolarHBondContact O-N 3.26Å; V104-T107 PolarHBondContact O-N 3.47Å; V104-V108 WeakPolarHBondContact O-CG2 3.42Å; V104-V108 PolarHBondContact O-N 2.93Å; V104-L139 HydrophobicContact CG1-CB 3.99Å; V104-L139 HydrophobicContact CG1-CD1 3.97Å; V104-L139 HydrophobicContact CG1-CD2 3.61Å; V104-L139 HydrophobicContact CG1-CG 4.02Å; V104-V143 HydrophobicContact CG2-CG2 4.25Å |
| 105 | F | 92.9 | Very high | 90.7 | Very high | 1 Ų | 1 | 18 Ų | 18 | 0% | 0.004 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -67.2 | -40.1 | -179.6 | -73 | -57.1 | 0 | 0 | 0 | 112.2 | N56 L57 G101 I103 T107 V108 V109 V136 L139 W140 | N56-F105 HydrophobicContact CB-CD1 4.4Å; N56-F105 HydrophobicContact CB-CE1 3.86Å; N56-F105 HydrophobicContact CB-CE2 4.07Å; N56-F105 HydrophobicContact CB-CZ 3.7Å; L57-F105 HydrophobicContact CB-CB 4.19Å; L57-F105 HydrophobicContact CD1-CB 4.14Å; G101-F105 WeakPolarHBondContact O-CB 3Å; G101-F105 WeakPolarHBondContact O-CD2 3.18Å; G101-F105 PolarHBondContact O-N 3.43Å; I103-F105 PolarHBondContact O-N 3.5Å; F105-T107 VanDerWaalsContact C-N 3.33Å; F105-T107 PolarHBondContact O-N 2.99Å; F105-V108 PolarHBondContact O-N 2.94Å; F105-V109 WeakPolarHBondContact O-CB 3.42Å; F105-V109 WeakPolarHBondContact O-CG2 3.34Å; F105-V109 PolarHBondContact O-N 3.17Å; F105-V136 HydrophobicContact CE1-CG1 4.4Å; F105-V136 HydrophobicContact CE1-CG2 4.13Å; F105-L139 HydrophobicContact CD1-CD1 4.34Å; F105-L139 HydrophobicContact CE1-CB 4.38Å; F105-L139 HydrophobicContact CE1-CD1 4.12Å; F105-W140 HydrophobicContact CE2-CD2 4.37Å; F105-W140 AromaticContact CE2-CE2 3.84Å; F105-W140 HydrophobicContact CE2-CH2 4.44Å; F105-W140 AromaticContact CE2-CZ2 3.88Å; F105-W140 HydrophobicContact CE2-CZ2 3.88Å; F105-W140 AromaticContact CZ-CD1 3.93Å; F105-W140 HydrophobicContact CZ-CD2 4.21Å; F105-W140 AromaticContact CZ-CE2 3.74Å; F105-W140 HydrophobicContact CZ-CG 4.32Å; F105-W140 HydrophobicContact CZ-CZ2 4.23Å; F105-W140 AromaticContact CZ-NE1 3.56Å |
| 106 | L | 90.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -63 | -39.6 | 174.9 | -72.7 | 173.6 | 0 | 0 | 0 | 111.6 | L57 S102 I103 V109 A110 V225 F229 V277 | L57-L106 HydrophobicContact CD2-CD2 3.72Å; L57-L106 HydrophobicContact CD2-CG 4.15Å; S102-L106 VanDerWaalsContact O-CB 3.26Å; S102-L106 WeakPolarHBondContact O-CB 3.39Å; S102-L106 WeakPolarHBondContact O-CG 3.17Å; S102-L106 PolarHBondContact O-N 3.43Å; I103-L106 PolarHBondContact O-N 3Å; L106-V109 PolarHBondContact O-N 2.98Å; L106-A110 WeakPolarHBondContact O-CB 3.26Å; L106-A110 PolarHBondContact O-N 3.34Å; L106-V225 HydrophobicContact CB-CG1 4.32Å; L106-V225 HydrophobicContact CD2-CG1 4.17Å; L106-V225 HydrophobicContact CD2-CG2 4.45Å; L106-F229 HydrophobicContact CD1-CD2 4.35Å; L106-V277 HydrophobicContact CD2-CG1 4.19Å; L106-V277 HydrophobicContact CD2-CG2 4.48Å |
| 107 | T | 92.8 | Very high | 90.4 | Very high | 14 Ų | 14 | 18.7 Ų | 18.7 | 9% | 0.086 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.3 | -48 | 174.5 | -55.9 | 0 | 0 | 0 | 0 | 112 | I103 V104 F105 V109 A110 V111 P188 I191 | I103-T107 PolarHBondContact O-N 3.41Å; I103-T107 PolarHBondContact O-OG1 3.27Å; V104-T107 PolarHBondContact O-N 3.47Å; F105-T107 VanDerWaalsContact C-N 3.33Å; F105-T107 PolarHBondContact O-N 2.99Å; T107-V109 VanDerWaalsContact C-N 3.29Å; T107-V109 PolarHBondContact O-N 2.92Å; T107-A110 WeakPolarHBondContact O-CB 3.48Å; T107-A110 PolarHBondContact O-N 3.31Å; T107-A110 VanDerWaalsContact O-N 3.09Å; T107-V111 WeakPolarHBondContact O-CG2 3.22Å; T107-V111 PolarHBondContact O-N 3.42Å; T107-P188 WeakPolarHBondContact OG1-CB 3.17Å; T107-I191 HydrophobicContact CG2-CB 4.03Å; T107-I191 HydrophobicContact CG2-CD1 4.1Å; T107-I191 HydrophobicContact CG2-CG2 3.69Å |
| 108 | V | 93.2 | Very high | 90.2 | Very high | 33 Ų | 33 | 18.7 Ų | 18.7 | 20% | 0.2 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.3 | -38.7 | 179.6 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | Y53 V104 F105 V111 D112 L139 | Y53-V108 HydrophobicContact CD1-CG1 4.03Å; Y53-V108 HydrophobicContact CD2-CG1 3.76Å; Y53-V108 HydrophobicContact CE1-CG1 3.93Å; Y53-V108 HydrophobicContact CE2-CG1 3.64Å; Y53-V108 HydrophobicContact CG-CG1 3.97Å; V104-V108 WeakPolarHBondContact O-CG2 3.42Å; V104-V108 PolarHBondContact O-N 2.93Å; F105-V108 PolarHBondContact O-N 2.94Å; V108-V111 PolarHBondContact O-N 3.31Å; V108-D112 WeakPolarHBondContact O-CB 3.28Å; V108-D112 PolarHBondContact O-N 3.3Å; V108-L139 HydrophobicContact CB-CD1 4.49Å; V108-L139 HydrophobicContact CG2-CD1 3.78Å |
| 109 | V | 90.7 | Very high | 89.9 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.3 | -40.9 | 173.2 | 169.9 | 0 | 0 | 0 | 0 | 111.4 | Y53 L54 F105 L106 T107 D112 R113 F221 | Y53-V109 HydrophobicContact CD2-CG2 4.35Å; Y53-V109 HydrophobicContact CG-CG2 4.41Å; L54-V109 HydrophobicContact CD2-CG1 4.29Å; L54-V109 HydrophobicContact CD2-CG2 3.98Å; L54-V109 HydrophobicContact CG-CG2 4.11Å; F105-V109 WeakPolarHBondContact O-CB 3.42Å; F105-V109 WeakPolarHBondContact O-CG2 3.34Å; F105-V109 PolarHBondContact O-N 3.17Å; L106-V109 PolarHBondContact O-N 2.98Å; T107-V109 VanDerWaalsContact C-N 3.29Å; T107-V109 PolarHBondContact O-N 2.92Å; V109-D112 PolarHBondContact O-N 2.73Å; V109-R113 WeakPolarHBondContact O-CG 3.26Å; V109-R113 PolarHBondContact O-N 3.23Å; V109-F221 HydrophobicContact CG1-CE1 3.66Å; V109-F221 HydrophobicContact CG1-CZ 3.45Å; V109-F221 VanDerWaalsContact CG1-CZ 3.45Å |
| 110 | A | 90.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.7 | -45 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L106 T107 R113 Y114 I192 I222 | L106-A110 WeakPolarHBondContact O-CB 3.26Å; L106-A110 PolarHBondContact O-N 3.34Å; T107-A110 WeakPolarHBondContact O-CB 3.48Å; T107-A110 PolarHBondContact O-N 3.31Å; T107-A110 VanDerWaalsContact O-N 3.09Å; A110-R113 PolarHBondContact O-N 2.63Å; A110-Y114 PolarHBondContact O-N 2.95Å; A110-I192 HydrophobicContact CB-CG1 3.92Å; A110-I222 HydrophobicContact CB-CD1 3.56Å |
| 111 | V | 92.3 | Very high | 89.4 | Confident | 44 Ų | 44 | 31.1 Ų | 31.1 | 27% | 0.267 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -64.4 | -45.9 | 177.4 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | T107 V108 R113 Y114 F115 I191 | T107-V111 WeakPolarHBondContact O-CG2 3.22Å; T107-V111 PolarHBondContact O-N 3.42Å; V108-V111 PolarHBondContact O-N 3.31Å; V111-R113 VanDerWaalsContact C-N 3.26Å; V111-R113 PolarHBondContact O-N 3.43Å; V111-Y114 WeakPolarHBondContact O-CB 3.33Å; V111-Y114 PolarHBondContact O-N 2.93Å; V111-Y114 VanDerWaalsContact O-N 3.09Å; V111-F115 HydrophobicContact CG1-CD2 3.77Å; V111-F115 HydrophobicContact CG1-CE2 3.63Å; V111-F115 WeakPolarHBondContact O-CD2 3.18Å; V111-F115 PolarHBondContact O-N 3.11Å; V111-I191 HydrophobicContact CG2-CG2 3.52Å |
| 112 | D | 89.7 | Confident | 89.2 | Confident | 8 Ų | 8 | 35 Ų | 35 | 4% | 0.043 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.5 | -41.2 | 175.3 | 172.2 | 84.4 | 0 | 0 | 0 | 111.6 | S50 Y53 V108 V109 K116 | S50-D112 WeakPolarHBondContact CB-OD2 3.43Å; S50-D112 PolarHBondContact OG-OD2 3.24Å; Y53-D112 HydrophobicContact CE2-CB 4.33Å; V108-D112 WeakPolarHBondContact O-CB 3.28Å; V108-D112 PolarHBondContact O-N 3.3Å; V109-D112 PolarHBondContact O-N 2.73Å; D112-K116 WeakPolarHBondContact O-CG 3.48Å; D112-K116 PolarHBondContact O-N 3.31Å; D112-K116 IonicContact OD1-NZ 2.69Å; D112-K116 PolarHBondContact OD1-NZ 3.35Å; D112-K116 IonicContact OD2-NZ 2.81Å; D112-K116 PolarHBondContact OD2-NZ 3.27Å |
| 113 | R | 87.1 | Confident | 88.9 | Confident | 46 Ų | 46 | 38.4 Ų | 38.4 | 17% | 0.174 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.7 | -40.1 | 175 | -69.7 | -53.5 | -173.5 | -174 | -0.9 | 112.9 | V109 A110 V111 K116 V117 I199 F221 S281 | V109-R113 WeakPolarHBondContact O-CG 3.26Å; V109-R113 PolarHBondContact O-N 3.23Å; A110-R113 PolarHBondContact O-N 2.63Å; V111-R113 VanDerWaalsContact C-N 3.26Å; V111-R113 PolarHBondContact O-N 3.43Å; R113-K116 PolarHBondContact O-N 3.03Å; R113-V117 WeakPolarHBondContact O-CG2 3.02Å; R113-V117 PolarHBondContact O-N 3.33Å; R113-I199 HydrophobicContact CB-CD1 4.35Å; R113-F221 HydrophobicContact CG-CD1 3.92Å; R113-F221 HydrophobicContact CG-CE1 3.69Å; R113-S281 PolarHBondContact NH2-O 3.35Å; R113-S281 PolarHBondContact NH2-OG 3.23Å |
| 114 | Y | 89.9 | Confident | 88.6 | Confident | 27 Ų | 27 | 40.3 Ų | 40.3 | 11% | 0.106 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.5 | -51.2 | 176.7 | 163.7 | -100.9 | 0 | 0 | 0 | 111.4 | A110 V111 K116 V117 V118 H119 F194 C195 K198 I199 | A110-Y114 PolarHBondContact O-N 2.95Å; V111-Y114 WeakPolarHBondContact O-CB 3.33Å; V111-Y114 PolarHBondContact O-N 2.93Å; V111-Y114 VanDerWaalsContact O-N 3.09Å; Y114-K116 VanDerWaalsContact C-N 3.35Å; Y114-K116 PolarHBondContact O-N 3.3Å; Y114-V117 PolarHBondContact O-N 2.76Å; Y114-V118 HydrophobicContact CD2-CB 4.02Å; Y114-V118 HydrophobicContact CD2-CG2 3.57Å; Y114-V118 HydrophobicContact CE2-CB 3.8Å; Y114-V118 HydrophobicContact CE2-CG1 3.94Å; Y114-V118 HydrophobicContact CE2-CG2 3.66Å; Y114-V118 WeakPolarHBondContact O-CB 3.37Å; Y114-V118 PolarHBondContact O-N 3.17Å; Y114-H119 AromaticContact CE1-CD2 3.79Å; Y114-H119 AromaticContact CZ-CD2 3.69Å; Y114-H119 AromaticContact CZ-NE2 3.64Å; Y114-H119 PolarHBondContact OH-NE2 3.47Å; Y114-F194 HydrophobicContact CE2-CE1 4.38Å; Y114-C195 HydrophobicContact CG-CB 4.49Å; Y114-K198 HydrophobicContact CD2-CB 3.97Å; Y114-K198 HydrophobicContact CE2-CB 3.58Å; Y114-K198 HydrophobicContact CE2-CG 4.1Å; Y114-I199 HydrophobicContact CD2-CG1 4.49Å |
| 115 | F | 89.6 | Confident | 88.2 | Confident | 43 Ų | 43 | 40.3 Ų | 40.3 | 19% | 0.189 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -40.9 | 178.3 | -79.3 | -74.4 | 0 | 0 | 0 | 112.3 | V111 V117 H119 H122 V124 N125 | V111-F115 HydrophobicContact CG1-CD2 3.77Å; V111-F115 HydrophobicContact CG1-CE2 3.63Å; V111-F115 WeakPolarHBondContact O-CD2 3.18Å; V111-F115 PolarHBondContact O-N 3.11Å; F115-V117 VanDerWaalsContact C-N 3.32Å; F115-V117 PolarHBondContact O-N 3.44Å; F115-H119 HydrophobicContact CD1-CB 4.26Å; F115-H119 CarbonylContact O-C 3.55Å; F115-H119 WeakPolarHBondContact O-CA 3.42Å; F115-H119 PolarHBondContact O-N 2.95Å; F115-H119 VanDerWaalsContact O-N 3.09Å; F115-H122 HydrophobicContact CD1-CB 3.99Å; F115-H122 AromaticContact CD1-CG 3.64Å; F115-H122 AromaticContact CD1-ND1 3.55Å; F115-H122 AromaticContact CE1-CD2 3.89Å; F115-H122 AromaticContact CE1-CE1 3.55Å; F115-H122 AromaticContact CE1-CG 3.82Å; F115-H122 AromaticContact CE1-ND1 3.59Å; F115-H122 AromaticContact CE1-NE2 3.72Å; F115-V124 HydrophobicContact CB-CB 4.43Å; F115-V124 HydrophobicContact CB-CG1 4.12Å; F115-V124 HydrophobicContact CD1-CB 4.48Å; F115-V124 HydrophobicContact CD2-CB 4.48Å; F115-V124 HydrophobicContact CD2-CG1 4.02Å; F115-V124 HydrophobicContact CG-CB 4.23Å; F115-V124 HydrophobicContact CG-CG1 4.08Å; F115-N125 PolarHBondContact O-ND2 3.01Å |
| 116 | K | 86 | Confident | 87.8 | Confident | 61 Ų | 61 | 46 Ų | 46 | 27% | 0.265 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -63.4 | -34.1 | 178.2 | -77.6 | 173.7 | 172.5 | 138.9 | 0 | 114.1 | S50 D112 R113 Y114 N125 | S50-K116 PolarHBondContact OG-NZ 2.92Å; D112-K116 WeakPolarHBondContact O-CG 3.48Å; D112-K116 PolarHBondContact O-N 3.31Å; D112-K116 IonicContact OD1-NZ 2.69Å; D112-K116 PolarHBondContact OD1-NZ 3.35Å; D112-K116 IonicContact OD2-NZ 2.81Å; D112-K116 PolarHBondContact OD2-NZ 3.27Å; R113-K116 PolarHBondContact O-N 3.03Å; Y114-K116 VanDerWaalsContact C-N 3.35Å; Y114-K116 PolarHBondContact O-N 3.3Å; K116-N125 WeakPolarHBondContact CG-OD1 3.33Å; K116-N125 PolarHBondContact N-OD1 3.24Å |
| 117 | V | 84.4 | Confident | 87.7 | Confident | 8 Ų | 8 | 48.1 Ų | 48.1 | 5% | 0.048 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -92.8 | -49.8 | -175.2 | 175.9 | 0 | 0 | 0 | 0 | 111.8 | R113 Y114 F115 I199 L203 R206 M215 A218 | R113-V117 WeakPolarHBondContact O-CG2 3.02Å; R113-V117 PolarHBondContact O-N 3.33Å; Y114-V117 PolarHBondContact O-N 2.76Å; F115-V117 VanDerWaalsContact C-N 3.32Å; F115-V117 PolarHBondContact O-N 3.44Å; V117-I199 HydrophobicContact CB-CG1 4.31Å; V117-I199 HydrophobicContact CG1-CG2 4.12Å; V117-L203 HydrophobicContact CG1-CD1 4.28Å; V117-L203 HydrophobicContact CG1-CD2 3.72Å; V117-L203 HydrophobicContact CG1-CG 4.01Å; V117-R206 PolarHBondContact O-NH1 3.4Å; V117-M215 HydrophobicContact CB-SD 4.49Å; V117-M215 HydrophobicContact CG1-CE 4.48Å; V117-M215 HydrophobicContact CG1-SD 3.84Å; V117-M215 HydrophobicContact CG2-SD 4.12Å; V117-A218 HydrophobicContact CG2-CB 4.04Å |
| 118 | V | 86.6 | Confident | 87.5 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 8% | 0.079 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -80.9 | -43.8 | -172.6 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | Y114 P120 K198 I199 R206 | Y114-V118 HydrophobicContact CD2-CB 4.02Å; Y114-V118 HydrophobicContact CD2-CG2 3.57Å; Y114-V118 HydrophobicContact CE2-CB 3.8Å; Y114-V118 HydrophobicContact CE2-CG1 3.94Å; Y114-V118 HydrophobicContact CE2-CG2 3.66Å; Y114-V118 WeakPolarHBondContact O-CB 3.37Å; Y114-V118 PolarHBondContact O-N 3.17Å; V118-P120 VanDerWaalsContact C-CD 3.48Å; V118-P120 VanDerWaalsContact O-CD 3.29Å; V118-P120 WeakPolarHBondContact O-CD 3.16Å; V118-K198 HydrophobicContact CG2-CB 4.4Å; V118-I199 HydrophobicContact CG2-CG1 4.1Å; V118-R206 PolarHBondContact O-NH2 2.99Å |
| 119 | H | 86.6 | Confident | 87.3 | Confident | 78 Ų | 78 | 51.8 Ų | 51.8 | 36% | 0.361 | 28% | 0.279 | S | S | . | . | trans | -122.8 | 65 | -173.6 | -59.1 | -62 | 0 | 0 | 0 | 112.8 | Y114 F115 H121 H122 N125 | Y114-H119 AromaticContact CE1-CD2 3.79Å; Y114-H119 AromaticContact CZ-CD2 3.69Å; Y114-H119 AromaticContact CZ-NE2 3.64Å; Y114-H119 PolarHBondContact OH-NE2 3.47Å; F115-H119 HydrophobicContact CD1-CB 4.26Å; F115-H119 CarbonylContact O-C 3.55Å; F115-H119 WeakPolarHBondContact O-CA 3.42Å; F115-H119 PolarHBondContact O-N 2.95Å; F115-H119 VanDerWaalsContact O-N 3.09Å; H119-H121 PolarHBondContact O-N 3.35Å; H119-H122 HydrophobicContact CB-CB 3.97Å; H119-H122 VanDerWaalsContact O-CB 3.23Å; H119-H122 WeakPolarHBondContact O-CB 3.12Å; H119-H122 PolarHBondContact O-N 2.97Å; H119-N125 PolarHBondContact O-ND2 3.39Å | ||
| 120 | P | 82.9 | Confident | 87.3 | Confident | 44 Ų | 44 | 62.5 Ų | 62.5 | 29% | 0.286 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | -25.7 | -170.9 | 23.3 | -34 | 0 | 0 | 0 | 114.7 | V118 N125 | V118-P120 VanDerWaalsContact C-CD 3.48Å; V118-P120 VanDerWaalsContact O-CD 3.29Å; V118-P120 WeakPolarHBondContact O-CD 3.16Å; P120-N125 VanDerWaalsContact C-ND2 3.29Å; P120-N125 WeakPolarHBondContact CA-ND2 3.36Å; P120-N125 PolarHBondContact O-ND2 2.87Å |
| 121 | H | 83.4 | Confident | 87.3 | Confident | 187 Ų | 187 | 65.9 Ų | 65.9 | 87% | 0.866 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | 4.3 | 179.3 | -58.7 | -74.8 | 0 | 0 | 0 | 114.1 | H119 | H119-H121 PolarHBondContact O-N 3.35Š|
| 122 | H | 88.8 | Confident | 87.2 | Confident | 82 Ų | 82 | 63.8 Ų | 63.8 | 38% | 0.38 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -69.6 | 142.4 | 179.2 | -161.9 | -93.9 | 0 | 0 | 0 | 111.4 | F115 H119 V124 N125 | F115-H122 HydrophobicContact CD1-CB 3.99Å; F115-H122 AromaticContact CD1-CG 3.64Å; F115-H122 AromaticContact CD1-ND1 3.55Å; F115-H122 AromaticContact CE1-CD2 3.89Å; F115-H122 AromaticContact CE1-CE1 3.55Å; F115-H122 AromaticContact CE1-CG 3.82Å; F115-H122 AromaticContact CE1-ND1 3.59Å; F115-H122 AromaticContact CE1-NE2 3.72Å; H119-H122 HydrophobicContact CB-CB 3.97Å; H119-H122 VanDerWaalsContact O-CB 3.23Å; H119-H122 WeakPolarHBondContact O-CB 3.12Å; H119-H122 PolarHBondContact O-N 2.97Å; H122-V124 WeakPolarHBondContact ND1-CB 3.45Å; H122-V124 VanDerWaalsContact ND1-CG2 3.26Å; H122-V124 WeakPolarHBondContact ND1-CG2 3.48Å; H122-V124 PolarHBondContact ND1-N 2.84Å; H122-V124 PolarHBondContact O-N 3.25Å; H122-V124 VanDerWaalsContact O-N 3.07Å; H122-N125 WeakPolarHBondContact O-CB 3.44Å; H122-N125 PolarHBondContact O-N 2.8Å |
| 123 | A | 84.6 | Confident | 87.4 | Confident | 72 Ų | 72 | 65.3 Ų | 65.3 | 60% | 0.595 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -58.1 | -24.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | N125 T126 | A123-N125 PolarHBondContact O-N 3.17Å; A123-N125 VanDerWaalsContact O-N 3.15Å; A123-T126 PolarHBondContact O-N 3.4Å; A123-T126 PolarHBondContact O-OG1 3.16Å |
| 124 | V | 84.9 | Confident | 87.7 | Confident | 44 Ų | 44 | 64.8 Ų | 64.8 | 27% | 0.267 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -57.9 | -28.1 | 173.4 | 170.1 | 0 | 0 | 0 | 0 | 112.3 | F115 H122 T126 I127 | F115-V124 HydrophobicContact CB-CB 4.43Å; F115-V124 HydrophobicContact CB-CG1 4.12Å; F115-V124 HydrophobicContact CD1-CB 4.48Å; F115-V124 HydrophobicContact CD2-CB 4.48Å; F115-V124 HydrophobicContact CD2-CG1 4.02Å; F115-V124 HydrophobicContact CG-CB 4.23Å; F115-V124 HydrophobicContact CG-CG1 4.08Å; H122-V124 WeakPolarHBondContact ND1-CB 3.45Å; H122-V124 VanDerWaalsContact ND1-CG2 3.26Å; H122-V124 WeakPolarHBondContact ND1-CG2 3.48Å; H122-V124 PolarHBondContact ND1-N 2.84Å; H122-V124 PolarHBondContact O-N 3.25Å; H122-V124 VanDerWaalsContact O-N 3.07Å; V124-T126 VanDerWaalsContact C-N 3.32Å; V124-T126 PolarHBondContact O-N 2.78Å; V124-I127 HydrophobicContact CB-CD1 4.2Å; V124-I127 HydrophobicContact CG1-CD1 4.03Å; V124-I127 HydrophobicContact CG2-CD1 4.33Å; V124-I127 WeakPolarHBondContact O-CB 3.47Å; V124-I127 WeakPolarHBondContact O-CD1 3.43Å; V124-I127 VanDerWaalsContact O-CG1 3.29Å; V124-I127 WeakPolarHBondContact O-CG1 3.32Å |
| 125 | N | 84.8 | Confident | 88 | Confident | 42 Ų | 42 | 66.1 Ų | 66.1 | 23% | 0.225 | 36% | 0.359 | C | S | . | . | G | 310 helix | trans | -78.6 | -15.2 | 179.1 | -64.1 | -30.5 | 0 | 0 | 0 | 113.5 | F115 K116 H119 P120 H122 A123 | F115-N125 PolarHBondContact O-ND2 3.01Å; K116-N125 WeakPolarHBondContact CG-OD1 3.33Å; K116-N125 PolarHBondContact N-OD1 3.24Å; H119-N125 PolarHBondContact O-ND2 3.39Å; P120-N125 VanDerWaalsContact C-ND2 3.29Å; P120-N125 WeakPolarHBondContact CA-ND2 3.36Å; P120-N125 PolarHBondContact O-ND2 2.87Å; H122-N125 WeakPolarHBondContact O-CB 3.44Å; H122-N125 PolarHBondContact O-N 2.8Å; A123-N125 PolarHBondContact O-N 3.17Å; A123-N125 VanDerWaalsContact O-N 3.15Å |
| 126 | T | 84.5 | Confident | 88.2 | Confident | 119 Ų | 119 | 64.4 Ų | 64.4 | 73% | 0.73 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -99.5 | 5.4 | 177.7 | 58.6 | 0 | 0 | 0 | 0 | 112.8 | A123 V124 S128 | A123-T126 PolarHBondContact O-N 3.4Å; A123-T126 PolarHBondContact O-OG1 3.16Å; V124-T126 VanDerWaalsContact C-N 3.32Å; V124-T126 PolarHBondContact O-N 2.78Å; T126-S128 PolarHBondContact O-N 2.9Å |
| 127 | I | 88.6 | Confident | 88.7 | Confident | 45 Ų | 45 | 65.1 Ų | 65.1 | 23% | 0.231 | 36% | 0.364 | C | S | . | . | trans | -55.7 | 129.8 | 176.6 | -72.7 | 179.3 | 0 | 0 | 0 | 110.7 | P49 V124 T131 | P49-I127 HydrophobicContact CG-CG2 4.47Å; P49-I127 WeakPolarHBondContact CG-O 3.32Å; V124-I127 HydrophobicContact CB-CD1 4.2Å; V124-I127 HydrophobicContact CG1-CD1 4.03Å; V124-I127 HydrophobicContact CG2-CD1 4.33Å; V124-I127 WeakPolarHBondContact O-CB 3.47Å; V124-I127 WeakPolarHBondContact O-CD1 3.43Å; V124-I127 VanDerWaalsContact O-CG1 3.29Å; V124-I127 WeakPolarHBondContact O-CG1 3.32Å; I127-T131 HydrophobicContact CG2-CG2 3.77Å | ||
| 128 | S | 89.3 | Confident | 89.2 | Confident | 56 Ų | 56 | 68.8 Ų | 68.8 | 39% | 0.392 | 39% | 0.386 | S | S | . | . | trans | -72.8 | 159.7 | 177.5 | 80.5 | 0 | 0 | 0 | 0 | 112 | T126 R130 T131 A132 | T126-S128 PolarHBondContact O-N 2.9Å; S128-R130 PolarHBondContact O-N 3.47Å; S128-R130 PolarHBondContact OG-N 3.5Å; S128-T131 PolarHBondContact O-N 3.47Å; S128-T131 PolarHBondContact OG-N 2.85Å; S128-T131 VanDerWaalsContact OG-N 3.16Å; S128-T131 PolarHBondContact OG-OG1 3.26Å; S128-A132 PolarHBondContact O-N 3.46Å | ||
| 129 | N | 87.6 | Confident | 89.7 | Confident | 68 Ų | 68 | 69.4 Ų | 69.4 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.7 | -28.2 | 173.7 | -70.4 | -18.1 | 0 | 0 | 0 | 112.8 | W47 A132 A133 | W47-N129 PolarHBondContact O-ND2 2.81Å; W47-N129 PolarHBondContact O-OD1 2.92Å; N129-A132 PolarHBondContact O-N 2.84Å; N129-A133 WeakPolarHBondContact O-CB 3.39Å; N129-A133 PolarHBondContact O-N 3.1Å |
| 130 | R | 90.4 | Very high | 90.1 | Very high | 225 Ų | 225 | 67.5 Ų | 67.5 | 85% | 0.849 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -67.5 | -44.2 | 175.8 | -65.8 | -177.1 | -179.9 | 177.9 | -0.2 | 111.2 | S128 A133 G134 | S128-R130 PolarHBondContact O-N 3.47Å; S128-R130 PolarHBondContact OG-N 3.5Å; R130-A133 WeakPolarHBondContact O-CB 3.36Å; R130-A133 PolarHBondContact O-N 3.34Å; R130-G134 PolarHBondContact O-N 3.47Å |
| 131 | T | 91.3 | Very high | 90.7 | Very high | 71 Ų | 71 | 69.1 Ų | 69.1 | 44% | 0.436 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 175.9 | -49.5 | 0 | 0 | 0 | 0 | 111 | I127 S128 A133 G134 I135 | I127-T131 HydrophobicContact CG2-CG2 3.77Å; S128-T131 PolarHBondContact O-N 3.47Å; S128-T131 PolarHBondContact OG-N 2.85Å; S128-T131 VanDerWaalsContact OG-N 3.16Å; S128-T131 PolarHBondContact OG-OG1 3.26Å; T131-A133 VanDerWaalsContact C-N 3.32Å; T131-A133 PolarHBondContact O-N 2.97Å; T131-G134 PolarHBondContact O-N 2.92Å; T131-I135 WeakPolarHBondContact O-CG1 3.34Å; T131-I135 PolarHBondContact O-N 2.72Å |
| 132 | A | 91.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 174 | 0 | 0 | 0 | 0 | 0 | 112.3 | P49 Y53 S128 N129 I135 V136 | P49-A132 HydrophobicContact CB-CB 3.82Å; P49-A132 HydrophobicContact CG-CB 4.18Å; Y53-A132 HydrophobicContact CE1-CB 4.45Å; S128-A132 PolarHBondContact O-N 3.46Å; N129-A132 PolarHBondContact O-N 2.84Å; A132-I135 PolarHBondContact O-N 3.3Å; A132-V136 WeakPolarHBondContact O-CG2 3.2Å; A132-V136 PolarHBondContact O-N 2.87Å |
| 133 | A | 92.3 | Very high | 91.4 | Very high | 41 Ų | 41 | 61.9 Ų | 61.9 | 34% | 0.339 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | N129 R130 T131 I135 V136 C137 | N129-A133 WeakPolarHBondContact O-CB 3.39Å; N129-A133 PolarHBondContact O-N 3.1Å; R130-A133 WeakPolarHBondContact O-CB 3.36Å; R130-A133 PolarHBondContact O-N 3.34Å; T131-A133 VanDerWaalsContact C-N 3.32Å; T131-A133 PolarHBondContact O-N 2.97Å; A133-I135 PolarHBondContact O-N 3.05Å; A133-V136 WeakPolarHBondContact O-CB 3.36Å; A133-V136 PolarHBondContact O-N 3.41Å; A133-C137 PolarHBondContact O-N 3.37Å; A133-C137 PolarHBondContact O-SG 3.26Å |
| 134 | G | 94.8 | Very high | 91.8 | Very high | 35 Ų | 35 | 61.6 Ų | 61.6 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -57.9 | -46.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | R130 T131 V136 C137 T138 | R130-G134 PolarHBondContact O-N 3.47Å; T131-G134 PolarHBondContact O-N 2.92Å; G134-V136 VanDerWaalsContact C-N 3.35Å; G134-V136 PolarHBondContact O-N 2.88Å; G134-C137 PolarHBondContact O-N 3Å; G134-T138 PolarHBondContact O-N 3.14Å; G134-T138 PolarHBondContact O-OG1 2.97Å; G134-T138 VanDerWaalsContact O-OG1 3.12Å |
| 135 | I | 94.4 | Very high | 92.1 | Very high | 55 Ų | 55 | 64.8 Ų | 64.8 | 28% | 0.282 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.8 | -50.2 | 174.3 | -67.7 | 166.8 | 0 | 0 | 0 | 110 | Y53 T131 A132 A133 C137 T138 L139 | Y53-I135 HydrophobicContact CE1-CB 4.48Å; Y53-I135 HydrophobicContact CE1-CG2 4.13Å; T131-I135 WeakPolarHBondContact O-CG1 3.34Å; T131-I135 PolarHBondContact O-N 2.72Å; A132-I135 PolarHBondContact O-N 3.3Å; A133-I135 PolarHBondContact O-N 3.05Å; I135-C137 VanDerWaalsContact C-N 3.34Å; I135-C137 PolarHBondContact O-N 3.42Å; I135-T138 WeakPolarHBondContact O-CB 3.44Å; I135-T138 PolarHBondContact O-N 2.93Å; I135-L139 HydrophobicContact CG2-CD1 3.82Å; I135-L139 HydrophobicContact CG2-CG 4.2Å; I135-L139 VanDerWaalsContact O-CG 3.26Å; I135-L139 WeakPolarHBondContact O-CG 3.3Å; I135-L139 PolarHBondContact O-N 3.38Å |
| 136 | V | 95.3 | Very high | 92.1 | Very high | 7 Ų | 7 | 65.3 Ų | 65.3 | 4% | 0.042 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -57.7 | -45.1 | 178.4 | 162.3 | 0 | 0 | 0 | 0 | 112.4 | V52 Y53 N56 F105 A132 A133 G134 T138 L139 W140 | V52-V136 HydrophobicContact CG1-CG2 3.89Å; Y53-V136 HydrophobicContact CD1-CG2 3.52Å; Y53-V136 HydrophobicContact CE1-CG2 3.8Å; N56-V136 HydrophobicContact CB-CG1 4.24Å; N56-V136 WeakPolarHBondContact ND2-CG1 3.13Å; N56-V136 VanDerWaalsContact OD1-CG1 3.3Å; N56-V136 WeakPolarHBondContact OD1-CG1 3.35Å; F105-V136 HydrophobicContact CE1-CG1 4.4Å; F105-V136 HydrophobicContact CE1-CG2 4.13Å; A132-V136 WeakPolarHBondContact O-CG2 3.2Å; A132-V136 PolarHBondContact O-N 2.87Å; A133-V136 WeakPolarHBondContact O-CB 3.36Å; A133-V136 PolarHBondContact O-N 3.41Å; G134-V136 VanDerWaalsContact C-N 3.35Å; G134-V136 PolarHBondContact O-N 2.88Å; V136-T138 VanDerWaalsContact C-N 3.32Å; V136-T138 PolarHBondContact O-N 3.12Å; V136-L139 PolarHBondContact O-N 2.74Å; V136-W140 VanDerWaalsContact CG1-CD1 3.5Å; V136-W140 VanDerWaalsContact O-CD1 3.29Å; V136-W140 PolarHBondContact O-N 3.08Å |
| 137 | C | 95.8 | Very high | 92.3 | Very high | 76 Ų | 76 | 60.1 Ų | 60.1 | 51% | 0.514 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -58.7 | -46 | 176.6 | -70.3 | 0 | 0 | 0 | 0 | 111 | A133 G134 I135 L139 W140 T141 | A133-C137 PolarHBondContact O-N 3.37Å; A133-C137 PolarHBondContact O-SG 3.26Å; G134-C137 PolarHBondContact O-N 3Å; I135-C137 VanDerWaalsContact C-N 3.34Å; I135-C137 PolarHBondContact O-N 3.42Å; C137-L139 PolarHBondContact O-N 3.19Å; C137-W140 PolarHBondContact O-N 3.04Å; C137-T141 PolarHBondContact O-N 3.49Å; C137-T141 PolarHBondContact O-OG1 3.33Å |
| 138 | T | 96.1 | Very high | 92.3 | Very high | 84 Ų | 84 | 60.9 Ų | 60.9 | 52% | 0.515 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.7 | -45.5 | 175.9 | -56.1 | 0 | 0 | 0 | 0 | 111.9 | G134 I135 V136 W140 T141 L142 | G134-T138 PolarHBondContact O-N 3.14Å; G134-T138 PolarHBondContact O-OG1 2.97Å; G134-T138 VanDerWaalsContact O-OG1 3.12Å; I135-T138 WeakPolarHBondContact O-CB 3.44Å; I135-T138 PolarHBondContact O-N 2.93Å; V136-T138 VanDerWaalsContact C-N 3.32Å; V136-T138 PolarHBondContact O-N 3.12Å; T138-W140 PolarHBondContact O-N 3.13Å; T138-T141 PolarHBondContact O-N 2.97Å; T138-L142 HydrophobicContact CG2-CD1 4.18Å; T138-L142 HydrophobicContact CG2-CG 4.49Å; T138-L142 VanDerWaalsContact O-CG 3.32Å; T138-L142 WeakPolarHBondContact O-CG 3.41Å; T138-L142 PolarHBondContact O-N 3.15Å |
| 139 | L | 95.3 | Very high | 92.2 | Very high | 27 Ų | 27 | 63 Ų | 63 | 14% | 0.141 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 179.3 | -63.3 | 173.3 | 0 | 0 | 0 | 111.6 | V104 F105 V108 I135 V136 C137 L142 V143 | V104-L139 HydrophobicContact CG1-CB 3.99Å; V104-L139 HydrophobicContact CG1-CD1 3.97Å; V104-L139 HydrophobicContact CG1-CD2 3.61Å; V104-L139 HydrophobicContact CG1-CG 4.02Å; F105-L139 HydrophobicContact CD1-CD1 4.34Å; F105-L139 HydrophobicContact CE1-CB 4.38Å; F105-L139 HydrophobicContact CE1-CD1 4.12Å; V108-L139 HydrophobicContact CB-CD1 4.49Å; V108-L139 HydrophobicContact CG2-CD1 3.78Å; I135-L139 HydrophobicContact CG2-CD1 3.82Å; I135-L139 HydrophobicContact CG2-CG 4.2Å; I135-L139 VanDerWaalsContact O-CG 3.26Å; I135-L139 WeakPolarHBondContact O-CG 3.3Å; I135-L139 PolarHBondContact O-N 3.38Å; V136-L139 PolarHBondContact O-N 2.74Å; C137-L139 PolarHBondContact O-N 3.19Å; L139-L142 PolarHBondContact O-N 3.44Å; L139-V143 WeakPolarHBondContact O-CB 3.2Å; L139-V143 VanDerWaalsContact O-CG2 3.28Å; L139-V143 WeakPolarHBondContact O-CG2 3.46Å; L139-V143 PolarHBondContact O-N 2.92Å |
| 140 | W | 95.6 | Very high | 92.1 | Very high | 37 Ų | 37 | 59.9 Ų | 59.9 | 14% | 0.14 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 173.9 | -85.5 | 118.8 | 0 | 0 | 0 | 112.1 | N56 A60 M97 F105 V136 C137 T138 L142 V143 I144 | N56-W140 HydrophobicContact CB-CZ2 4.45Å; N56-W140 PolarHBondContact OD1-NE1 2.95Å; A60-W140 HydrophobicContact CB-CH2 3.67Å; A60-W140 HydrophobicContact CB-CZ2 4.22Å; M97-W140 HydrophobicContact CE-CZ3 4.28Å; M97-W140 HydrophobicContact CG-CZ3 4.03Å; M97-W140 HydrophobicContact SD-CE3 4.5Å; M97-W140 HydrophobicContact SD-CZ3 3.86Å; F105-W140 HydrophobicContact CE2-CD2 4.37Å; F105-W140 AromaticContact CE2-CE2 3.84Å; F105-W140 HydrophobicContact CE2-CH2 4.44Å; F105-W140 AromaticContact CE2-CZ2 3.88Å; F105-W140 HydrophobicContact CE2-CZ2 3.88Å; F105-W140 AromaticContact CZ-CD1 3.93Å; F105-W140 HydrophobicContact CZ-CD2 4.21Å; F105-W140 AromaticContact CZ-CE2 3.74Å; F105-W140 HydrophobicContact CZ-CG 4.32Å; F105-W140 HydrophobicContact CZ-CZ2 4.23Å; F105-W140 AromaticContact CZ-NE1 3.56Å; V136-W140 VanDerWaalsContact CG1-CD1 3.5Å; V136-W140 VanDerWaalsContact O-CD1 3.29Å; V136-W140 PolarHBondContact O-N 3.08Å; C137-W140 PolarHBondContact O-N 3.04Å; T138-W140 PolarHBondContact O-N 3.13Å; W140-L142 VanDerWaalsContact C-N 3.31Å; W140-L142 PolarHBondContact O-N 3.03Å; W140-V143 PolarHBondContact O-N 3.09Å; W140-I144 HydrophobicContact CE3-CD1 4.42Å; W140-I144 WeakPolarHBondContact O-CB 3.32Å; W140-I144 WeakPolarHBondContact O-CG1 3.31Å; W140-I144 PolarHBondContact O-N 3.35Å |
| 141 | T | 95.9 | Very high | 92 | Very high | 78 Ų | 78 | 51.8 Ų | 51.8 | 48% | 0.479 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 176.9 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | C137 T138 I144 L145 | C137-T141 PolarHBondContact O-N 3.49Å; C137-T141 PolarHBondContact O-OG1 3.33Å; T138-T141 PolarHBondContact O-N 2.97Å; T141-I144 PolarHBondContact O-N 3.03Å; T141-L145 HydrophobicContact CG2-CD1 3.76Å; T141-L145 HydrophobicContact CG2-CG 4.23Å; T141-L145 VanDerWaalsContact O-CB 3.3Å; T141-L145 WeakPolarHBondContact O-CB 3.29Å; T141-L145 WeakPolarHBondContact O-CG 3.32Å; T141-L145 PolarHBondContact O-N 3.13Å |
| 142 | L | 93.2 | Very high | 91.8 | Very high | 108 Ų | 108 | 54.1 Ų | 54.1 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -61.8 | -45.5 | 177.6 | -70.3 | 172.1 | 0 | 0 | 0 | 112.1 | T138 L139 W140 G146 | T138-L142 HydrophobicContact CG2-CD1 4.18Å; T138-L142 HydrophobicContact CG2-CG 4.49Å; T138-L142 VanDerWaalsContact O-CG 3.32Å; T138-L142 WeakPolarHBondContact O-CG 3.41Å; T138-L142 PolarHBondContact O-N 3.15Å; L139-L142 PolarHBondContact O-N 3.44Å; W140-L142 VanDerWaalsContact C-N 3.31Å; W140-L142 PolarHBondContact O-N 3.03Å; L142-G146 PolarHBondContact O-N 3.01Å |
| 143 | V | 92.8 | Very high | 91.4 | Very high | 9 Ų | 9 | 58.6 Ų | 58.6 | 6% | 0.055 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.7 | -44.8 | 179.1 | 168.8 | 0 | 0 | 0 | 0 | 111.3 | M97 A100 V104 L139 W140 G146 T147 | M97-V143 HydrophobicContact CB-CG1 4.44Å; M97-V143 HydrophobicContact CG-CG1 3.81Å; M97-V143 WeakPolarHBondContact O-CG1 3.23Å; A100-V143 HydrophobicContact CB-CG1 3.98Å; A100-V143 HydrophobicContact CB-CG2 4.42Å; V104-V143 HydrophobicContact CG2-CG2 4.25Å; L139-V143 WeakPolarHBondContact O-CB 3.2Å; L139-V143 VanDerWaalsContact O-CG2 3.28Å; L139-V143 WeakPolarHBondContact O-CG2 3.46Å; L139-V143 PolarHBondContact O-N 2.92Å; W140-V143 PolarHBondContact O-N 3.09Å; V143-G146 PolarHBondContact O-N 2.93Å; V143-T147 WeakPolarHBondContact O-CG2 3.22Å; V143-T147 PolarHBondContact O-N 3.14Å; V143-T147 VanDerWaalsContact O-N 3.13Å; V143-T147 PolarHBondContact O-OG1 2.82Å |
| 144 | I | 93.2 | Very high | 90.8 | Very high | 67 Ų | 67 | 61 Ų | 61 | 34% | 0.344 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -64.9 | -47.5 | 179.1 | -68.8 | 166.2 | 0 | 0 | 0 | 110 | F93 M97 W140 T141 G146 T147 L148 | F93-I144 HydrophobicContact CE2-CG2 4.44Å; F93-I144 HydrophobicContact CZ-CG1 4.38Å; F93-I144 HydrophobicContact CZ-CG2 4.25Å; M97-I144 HydrophobicContact SD-CG1 4.16Å; W140-I144 HydrophobicContact CE3-CD1 4.42Å; W140-I144 WeakPolarHBondContact O-CB 3.32Å; W140-I144 WeakPolarHBondContact O-CG1 3.31Å; W140-I144 PolarHBondContact O-N 3.35Å; T141-I144 PolarHBondContact O-N 3.03Å; I144-G146 VanDerWaalsContact C-N 3.34Å; I144-G146 PolarHBondContact O-N 3.49Å; I144-T147 CarbonylContact O-C 3.57Å; I144-T147 PolarHBondContact O-N 3.33Å; I144-T147 PolarHBondContact O-OG1 3.3Å; I144-L148 WeakPolarHBondContact O-CA 3.16Å; I144-L148 WeakPolarHBondContact O-CB 3.34Å; I144-L148 PolarHBondContact O-N 3.3Å |
| 145 | L | 91.1 | Very high | 90.2 | Very high | 111 Ų | 111 | 60 Ų | 60 | 58% | 0.581 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61.8 | -42 | 178.1 | -72.7 | 175.5 | 0 | 0 | 0 | 111.8 | T141 T147 L148 | T141-L145 HydrophobicContact CG2-CD1 3.76Å; T141-L145 HydrophobicContact CG2-CG 4.23Å; T141-L145 VanDerWaalsContact O-CB 3.3Å; T141-L145 WeakPolarHBondContact O-CB 3.29Å; T141-L145 WeakPolarHBondContact O-CG 3.32Å; T141-L145 PolarHBondContact O-N 3.13Å; L145-T147 PolarHBondContact O-N 2.92Å; L145-L148 HydrophobicContact CD2-CD2 4.4Å; L145-L148 WeakPolarHBondContact O-CB 3.47Å; L145-L148 PolarHBondContact O-N 2.81Å |
| 146 | G | 85.9 | Confident | 89.7 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 54% | 0.536 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65.4 | -23.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114 | L142 V143 I144 | L142-G146 PolarHBondContact O-N 3.01Å; V143-G146 PolarHBondContact O-N 2.93Å; I144-G146 VanDerWaalsContact C-N 3.34Å; I144-G146 PolarHBondContact O-N 3.49Å |
| 147 | T | 87.8 | Confident | 88.9 | Confident | 11 Ų | 11 | 60.4 Ų | 60.4 | 7% | 0.067 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -108.2 | -2.2 | -179.2 | 54.9 | 0 | 0 | 0 | 0 | 113.4 | F93 A96 V143 I144 L145 Y149 L150 | F93-T147 VanDerWaalsContact CE2-OG1 3.32Å; F93-T147 WeakPolarHBondContact CE2-OG1 3.09Å; A96-T147 HydrophobicContact CB-CG2 3.75Å; V143-T147 WeakPolarHBondContact O-CG2 3.22Å; V143-T147 PolarHBondContact O-N 3.14Å; V143-T147 VanDerWaalsContact O-N 3.13Å; V143-T147 PolarHBondContact O-OG1 2.82Å; I144-T147 CarbonylContact O-C 3.57Å; I144-T147 PolarHBondContact O-N 3.33Å; I144-T147 PolarHBondContact O-OG1 3.3Å; L145-T147 PolarHBondContact O-N 2.92Å; T147-Y149 PolarHBondContact O-N 3.43Å; T147-L150 WeakPolarHBondContact O-CB 3.4Å; T147-L150 PolarHBondContact O-N 2.97Å; T147-L150 VanDerWaalsContact O-N 3.15Å |
| 148 | L | 88.9 | Confident | 88.1 | Confident | 60 Ų | 60 | 62.2 Ų | 62.2 | 31% | 0.314 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -31.5 | -173.9 | -179 | 60.4 | 0 | 0 | 0 | 113.2 | I144 L145 L150 L151 L152 | I144-L148 WeakPolarHBondContact O-CA 3.16Å; I144-L148 WeakPolarHBondContact O-CB 3.34Å; I144-L148 PolarHBondContact O-N 3.3Å; L145-L148 HydrophobicContact CD2-CD2 4.4Å; L145-L148 WeakPolarHBondContact O-CB 3.47Å; L145-L148 PolarHBondContact O-N 2.81Å; L148-L150 PolarHBondContact O-N 3.35Å; L148-L150 VanDerWaalsContact O-N 3.12Å; L148-L151 HydrophobicContact CD1-CB 4.42Å; L148-L151 HydrophobicContact CD1-CD1 4.11Å; L148-L151 WeakPolarHBondContact O-CB 3.36Å; L148-L151 PolarHBondContact O-N 3.27Å; L148-L152 HydrophobicContact CD2-CD1 4.48Å; L148-L152 HydrophobicContact CG-CD1 4.11Å; L148-L152 HydrophobicContact CG-CG 4.35Å; L148-L152 PolarHBondContact O-N 2.95Å |
| 149 | Y | 86.1 | Confident | 86.9 | Confident | 102 Ų | 102 | 60.6 Ų | 60.6 | 40% | 0.4 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -55.6 | -31.8 | 179.5 | 76.1 | -86.8 | 0 | 0 | 0 | 112.3 | T147 L151 L152 E153 I169 | T147-Y149 PolarHBondContact O-N 3.43Å; Y149-L151 PolarHBondContact O-N 3.14Å; Y149-L152 PolarHBondContact O-N 2.99Å; Y149-L152 VanDerWaalsContact O-N 3.08Å; Y149-E153 PolarHBondContact O-N 3.13Å; Y149-I169 HydrophobicContact CD2-CD1 4.42Å; Y149-I169 HydrophobicContact CE2-CD1 3.98Å |
| 150 | L | 86.5 | Confident | 85.6 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.5 | -19.2 | 177.4 | -65.5 | 167.3 | 0 | 0 | 0 | 114.1 | R89 F93 A96 T147 L148 H155 | R89-L150 WeakPolarHBondContact CB-O 3.47Å; F93-L150 HydrophobicContact CB-CB 4.27Å; A96-L150 HydrophobicContact CB-CD1 3.27Å; T147-L150 WeakPolarHBondContact O-CB 3.4Å; T147-L150 PolarHBondContact O-N 2.97Å; T147-L150 VanDerWaalsContact O-N 3.15Å; L148-L150 PolarHBondContact O-N 3.35Å; L148-L150 VanDerWaalsContact O-N 3.12Å; L150-H155 WeakPolarHBondContact CA-NE2 3.18Å |
| 151 | L | 88.7 | Confident | 84.4 | Confident | 54 Ų | 54 | 72.4 Ų | 72.4 | 28% | 0.283 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -87.3 | -28.2 | 172.5 | -71.6 | 173.1 | 0 | 0 | 0 | 112.2 | R89 V90 F93 L148 Y149 | R89-L151 HydrophobicContact CB-CD2 4.48Å; R89-L151 WeakPolarHBondContact CD-O 3.45Å; R89-L151 PolarHBondContact NH1-O 3.28Å; V90-L151 HydrophobicContact CG2-CD2 4.16Å; F93-L151 HydrophobicContact CB-CD1 4.39Å; F93-L151 HydrophobicContact CB-CD2 3.64Å; F93-L151 HydrophobicContact CB-CG 3.69Å; F93-L151 HydrophobicContact CD1-CD1 3.95Å; F93-L151 HydrophobicContact CD1-CD2 4.14Å; F93-L151 HydrophobicContact CD1-CG 4.17Å; F93-L151 HydrophobicContact CD2-CD1 3.67Å; F93-L151 HydrophobicContact CD2-CD2 4.47Å; F93-L151 HydrophobicContact CD2-CG 3.7Å; F93-L151 HydrophobicContact CE1-CD1 4.12Å; F93-L151 HydrophobicContact CE2-CD1 3.85Å; F93-L151 HydrophobicContact CE2-CG 4.39Å; F93-L151 HydrophobicContact CG-CD1 3.71Å; F93-L151 HydrophobicContact CG-CD2 3.83Å; F93-L151 HydrophobicContact CG-CG 3.57Å; F93-L151 HydrophobicContact CZ-CD1 4.07Å; L148-L151 HydrophobicContact CD1-CB 4.42Å; L148-L151 HydrophobicContact CD1-CD1 4.11Å; L148-L151 WeakPolarHBondContact O-CB 3.36Å; L148-L151 PolarHBondContact O-N 3.27Å; Y149-L151 PolarHBondContact O-N 3.14Å |
| 152 | L | 86.4 | Confident | 83.6 | Confident | 121 Ų | 121 | 69.1 Ų | 69.1 | 63% | 0.634 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -86.5 | -35.2 | -172.8 | -61.2 | 177.9 | 0 | 0 | 0 | 112 | R89 L148 Y149 | R89-L152 VanDerWaalsContact NH1-C 3.34Å; R89-L152 PolarHBondContact NH1-O 2.96Å; L148-L152 HydrophobicContact CD2-CD1 4.48Å; L148-L152 HydrophobicContact CG-CD1 4.11Å; L148-L152 HydrophobicContact CG-CG 4.35Å; L148-L152 PolarHBondContact O-N 2.95Å; Y149-L152 PolarHBondContact O-N 2.99Å; Y149-L152 VanDerWaalsContact O-N 3.08Å |
| 153 | E | 83.1 | Confident | 83.1 | Confident | 94 Ų | 94 | 65.9 Ų | 65.9 | 44% | 0.439 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -90.2 | 149.6 | -176.2 | -66.9 | 177.1 | -171 | 0 | 0 | 113.1 | R89 Y149 H155 | R89-E153 VanDerWaalsContact CD-O 3.26Å; R89-E153 WeakPolarHBondContact CD-O 3.37Å; R89-E153 PolarHBondContact NE-O 3.31Å; Y149-E153 PolarHBondContact O-N 3.13Å; E153-H155 IonicContact OE2-CE1 3.09Å |
| 154 | N | 80.1 | Confident | 82.6 | Confident | 92 Ų | 92 | 66 Ų | 66 | 49% | 0.492 | 36% | 0.357 | S | S | . | . | trans | -79 | 126.1 | 171.5 | -78.4 | -71 | 0 | 0 | 0 | 109.5 | D85 R89 | D85-N154 VanDerWaalsContact CG-OD1 3.29Å; D85-N154 PolarHBondContact OD1-OD1 3.2Å; D85-N154 VanDerWaalsContact OD1-OD1 3.13Å; D85-N154 PolarHBondContact OD2-OD1 3.46Å; R89-N154 PolarHBondContact NH2-ND2 3.31Å; R89-N154 PolarHBondContact NH2-OD1 3.17Å | ||
| 155 | H | 82 | Confident | 82.2 | Confident | 13 Ų | 13 | 63 Ų | 63 | 6% | 0.06 | 34% | 0.342 | C | S | . | . | trans | -115.3 | 14.4 | 177.6 | -61.3 | -54.7 | 0 | 0 | 0 | 113 | L92 L150 E153 E166 | L92-H155 HydrophobicContact CD1-CB 3.44Å; L92-H155 VanDerWaalsContact CD1-CB 3.44Å; L150-H155 WeakPolarHBondContact CA-NE2 3.18Å; E153-H155 IonicContact OE2-CE1 3.09Å; H155-E166 PolarHBondContact O-N 3.18Å | ||
| 156 | L | 83.1 | Confident | 81.5 | Confident | 51 Ų | 51 | 59.5 Ų | 59.5 | 27% | 0.267 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 121.1 | 171.7 | -64.4 | -177.2 | 0 | 0 | 0 | 109.6 | W81 D85 C88 V163 S164 C165 | W81-L156 HydrophobicContact CG-CD2 4.42Å; D85-L156 HydrophobicContact CB-CD1 3.66Å; D85-L156 HydrophobicContact CB-CG 4.3Å; C88-L156 HydrophobicContact CB-CD2 3.89Å; L156-V163 HydrophobicContact CB-CG1 4.23Å; L156-V163 HydrophobicContact CD1-CG1 4.45Å; L156-V163 HydrophobicContact CD2-CG1 3.95Å; L156-V163 HydrophobicContact CG-CG1 4.45Å; L156-S164 WeakPolarHBondContact CA-O 3.47Å; L156-C165 HydrophobicContact CD2-CB 4.35Å |
| 157 | C | 78.8 | Confident | 80.6 | Confident | 19 Ų | 19 | 59 Ų | 59 | 13% | 0.128 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 114.1 | 165.4 | -178 | 0 | 0 | 0 | 0 | 110.1 | C6 V163 S164 | C6-C157 HydrophobicContact CB-CB 3.91Å; C6-C157 WeakPolarHBondContact CB-SG 3.19Å; C6-C157 WeakPolarHBondContact SG-CB 3.31Å; C6-C157 CovalentContact SG-SG 2Å; C6-C157 PolarHBondContact SG-SG 3.46Å; C157-V163 CarbonylContact O-C 3.55Å; C157-V163 WeakPolarHBondContact O-CA 3.23Å; C157-S164 PolarHBondContact N-O 2.88Å; C157-S164 PolarHBondContact O-N 3.49Å |
| 158 | V | 78.9 | Confident | 79 | Confident | 114 Ų | 114 | 62.4 Ų | 62.4 | 69% | 0.691 | 33% | 0.325 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 120.2 | 176.8 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | V163 | V158-V163 HydrophobicContact CG1-CG2 4.49Å; V158-V163 HydrophobicContact CG2-CG1 4.42Å; V158-V163 HydrophobicContact CG2-CG2 4.36Å |
| 159 | Q | 71.1 | Confident | 77.1 | Confident | 51 Ų | 51 | 62.6 Ų | 62.6 | 24% | 0.238 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 161.8 | 170.2 | -70.3 | 170.9 | -3.5 | 0 | 0 | 109.3 | C6 R8 T161 A162 | C6-Q159 PolarHBondContact O-NE2 2.93Å; R8-Q159 VanDerWaalsContact CD-OE1 3.31Å; Q159-T161 PolarHBondContact O-N 3.02Å; Q159-A162 PolarHBondContact N-O 2.98Å; Q159-A162 PolarHBondContact O-N 2.73Å; Q159-A162 VanDerWaalsContact O-O 3.13Å |
| 160 | E | 67.8 | Low | 75.1 | Confident | 205 Ų | 205 | 60.9 Ų | 60.9 | 96% | 0.958 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.7 | -25.9 | -172.5 | -64.2 | -171.6 | 168.8 | 0 | 0 | 114.9 | ||
| 161 | T | 72.1 | Confident | 72.8 | Confident | 106 Ų | 106 | 67.6 Ų | 67.6 | 65% | 0.65 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | -13.7 | -176.4 | 56.8 | 0 | 0 | 0 | 0 | 114.9 | R8 Q159 | R8-T161 PolarHBondContact NH1-OG1 3.27Å; R8-T161 PolarHBondContact NH2-OG1 3.42Å; Q159-T161 PolarHBondContact O-N 3.02Å |
| 162 | A | 77.6 | Confident | 70.5 | Confident | 10 Ų | 10 | 66.4 Ų | 66.4 | 8% | 0.083 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 152.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | H80 Q159 | H80-A162 HydrophobicContact CB-CB 4.42Å; Q159-A162 PolarHBondContact N-O 2.98Å; Q159-A162 PolarHBondContact O-N 2.73Å; Q159-A162 VanDerWaalsContact O-O 3.13Å |
| 163 | V | 84.2 | Confident | 68.5 | Low | 39 Ų | 39 | 65 Ų | 65 | 24% | 0.236 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 118.5 | 168.8 | -178 | 0 | 0 | 0 | 0 | 107.7 | H80 W81 L156 C157 V158 | H80-V163 PolarHBondContact ND1-N 3.5Å; W81-V163 WeakPolarHBondContact CB-O 3.16Å; W81-V163 PolarHBondContact N-O 2.86Å; L156-V163 HydrophobicContact CB-CG1 4.23Å; L156-V163 HydrophobicContact CD1-CG1 4.45Å; L156-V163 HydrophobicContact CD2-CG1 3.95Å; L156-V163 HydrophobicContact CG-CG1 4.45Å; C157-V163 CarbonylContact O-C 3.55Å; C157-V163 WeakPolarHBondContact O-CA 3.23Å; V158-V163 HydrophobicContact CG1-CG2 4.49Å; V158-V163 HydrophobicContact CG2-CG1 4.42Å; V158-V163 HydrophobicContact CG2-CG2 4.36Å |
| 164 | S | 81.9 | Confident | 67.1 | Low | 13 Ų | 13 | 65.4 Ų | 65.4 | 9% | 0.091 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 143.6 | 177.4 | -56.2 | 0 | 0 | 0 | 0 | 110.4 | L156 C157 | L156-S164 WeakPolarHBondContact CA-O 3.47Å; C157-S164 PolarHBondContact N-O 2.88Å; C157-S164 PolarHBondContact O-N 3.49Å |
| 165 | C | 84.4 | Confident | 66.3 | Low | 2 Ų | 2 | 63 Ų | 63 | 1% | 0.014 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 94.6 | 174 | 170.5 | 0 | 0 | 0 | 0 | 108.1 | R71 Y74 W81 C88 L156 | R71-C165 PolarHBondContact NH1-O 3.26Å; Y74-C165 HydrophobicContact CE2-CB 4.49Å; W81-C165 HydrophobicContact CB-CB 3.81Å; W81-C165 HydrophobicContact CD2-CB 3.53Å; W81-C165 HydrophobicContact CE3-CB 3.76Å; W81-C165 HydrophobicContact CG-CB 3.55Å; C88-C165 WeakPolarHBondContact CA-SG 3.45Å; C88-C165 HydrophobicContact CB-CB 3.88Å; C88-C165 WeakPolarHBondContact CB-SG 3.49Å; C88-C165 VanDerWaalsContact SG-CA 3.59Å; C88-C165 WeakPolarHBondContact SG-CB 3.5Å; C88-C165 CovalentContact SG-SG 2.02Å; C88-C165 PolarHBondContact SG-SG 3.25Å; L156-C165 HydrophobicContact CD2-CB 4.35Å |
| 166 | E | 76.3 | Confident | 65.5 | Low | 38 Ų | 38 | 71.3 Ų | 71.3 | 18% | 0.178 | 39% | 0.388 | C | S | . | . | trans | -141.5 | 134.7 | -178 | -63.3 | -64.6 | 169.9 | 0 | 0 | 110.4 | R71 Y74 H155 F168 H261 | R71-E166 IonicContact CZ-OE1 3.72Å; R71-E166 IonicContact CZ-OE2 3.4Å; R71-E166 IonicContact NH1-OE2 3.06Å; R71-E166 IonicContact NH2-OE1 2.75Å; R71-E166 PolarHBondContact NH2-OE1 3.01Å; R71-E166 VanDerWaalsContact NH2-OE1 3.08Å; R71-E166 IonicContact NH2-OE2 2.89Å; R71-E166 PolarHBondContact NH2-OE2 3.21Å; Y74-E166 VanDerWaalsContact CE1-OE1 3.27Å; Y74-E166 WeakPolarHBondContact CE1-OE1 3.48Å; Y74-E166 WeakPolarHBondContact OH-CG 3.21Å; Y74-E166 PolarHBondContact OH-OE1 3.31Å; H155-E166 PolarHBondContact O-N 3.18Å; E166-F168 VanDerWaalsContact C-N 3.27Å; E166-F168 HydrophobicContact CB-CD2 3.62Å; E166-F168 HydrophobicContact CB-CE2 4.11Å; E166-F168 HydrophobicContact CG-CD2 3.95Å; E166-F168 HydrophobicContact CG-CE2 4.03Å; E166-F168 PolarHBondContact O-N 3.4Å; E166-H261 IonicContact OE1-NE2 3.22Å | ||
| 167 | S | 66.2 | Low | 64.6 | Low | 43 Ų | 43 | 74.5 Ų | 74.5 | 30% | 0.301 | 40% | 0.402 | S | S | . | . | trans | -92.7 | 35.4 | 173.4 | 72.4 | 0 | 0 | 0 | 0 | 111.7 | I169 | S167-I169 PolarHBondContact O-N 3.48Š| ||
| 168 | F | 56 | Low | 64.1 | Low | 82 Ų | 82 | 74.6 Ų | 74.6 | 36% | 0.36 | 40% | 0.401 | S | S | . | . | trans | -66.9 | 70.1 | 178.1 | -80.3 | -71.6 | 0 | 0 | 0 | 110.7 | E166 M170 H261 | E166-F168 VanDerWaalsContact C-N 3.27Å; E166-F168 HydrophobicContact CB-CD2 3.62Å; E166-F168 HydrophobicContact CB-CE2 4.11Å; E166-F168 HydrophobicContact CG-CD2 3.95Å; E166-F168 HydrophobicContact CG-CE2 4.03Å; E166-F168 PolarHBondContact O-N 3.4Å; F168-M170 PolarHBondContact O-N 2.83Å; F168-H261 AromaticContact CE2-CE1 3.21Å; F168-H261 WeakPolarHBondContact CE2-CE1 3.46Å; F168-H261 AromaticContact CE2-NE2 3.3Å; F168-H261 VanDerWaalsContact CE2-NE2 3.3Å; F168-H261 WeakPolarHBondContact CE2-NE2 3.42Å; F168-H261 AromaticContact CZ-CE1 3.03Å; F168-H261 WeakPolarHBondContact CZ-CE1 3.47Å; F168-H261 AromaticContact CZ-ND1 3.66Å; F168-H261 AromaticContact CZ-NE2 3.35Å; F168-H261 WeakPolarHBondContact CZ-NE2 3.4Å | ||
| 169 | I | 47.2 | Very low | 63.7 | Low | 64 Ų | 64 | 73.2 Ų | 73.2 | 33% | 0.328 | 39% | 0.389 | S | S | . | . | trans | -77.6 | 81.3 | 159.1 | -54.2 | 177.4 | 0 | 0 | 0 | 104.8 | Y149 S167 E171 | Y149-I169 HydrophobicContact CD2-CD1 4.42Å; Y149-I169 HydrophobicContact CE2-CD1 3.98Å; S167-I169 PolarHBondContact O-N 3.48Å; I169-E171 HydrophobicContact CG2-CB 4.27Å | ||
| 170 | M | 45.6 | Very low | 63.8 | Low | 65 Ų | 65 | 75.8 Ų | 75.8 | 32% | 0.32 | 40% | 0.402 | S | S | . | . | trans | -94 | 34.8 | 153.5 | -144.2 | 162.2 | 80.3 | 0 | 0 | 108 | F168 W249 | F168-M170 PolarHBondContact O-N 2.83Å; M170-W249 HydrophobicContact CG-CE3 4.42Å; M170-W249 HydrophobicContact CG-CZ3 4.47Å | ||
| 171 | E | 37.7 | Very low | 64 | Low | 144 Ų | 144 | 67.1 Ų | 67.1 | 67% | 0.673 | 36% | 0.361 | S | S | * | . | trans | -121.8 | 13.1 | -163.9 | -144.7 | 176.8 | -161.8 | 0 | 0 | 114.1 | I169 | I169-E171 HydrophobicContact CG2-CB 4.27Š| ||
| 172 | S | 39.7 | Very low | 64.1 | Low | 28 Ų | 28 | 63.5 Ų | 63.5 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | trans | -108.5 | 102.7 | 169.5 | 73.6 | 0 | 0 | 0 | 0 | 111 | N174 | S172-N174 PolarHBondContact O-N 3.19Š| ||
| 173 | A | 44.7 | Very low | 64.2 | Low | 93 Ų | 93 | 67.1 Ų | 67.1 | 77% | 0.769 | 35% | 0.354 | S | S | * | . | trans | -63.8 | 23.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 174 | N | 54.1 | Low | 64 | Low | 102 Ų | 102 | 68.9 Ų | 68.9 | 55% | 0.545 | 36% | 0.36 | S | S | . | . | trans | -106.8 | 103.3 | 175.6 | -82.9 | -1.3 | 0 | 0 | 0 | 108.1 | S172 W176 H177 | S172-N174 PolarHBondContact O-N 3.19Å; N174-W176 PolarHBondContact O-N 3.19Å; N174-H177 PolarHBondContact O-N 2.92Å; N174-H177 VanDerWaalsContact O-N 3.12Å | ||
| 175 | G | 62.3 | Low | 64 | Low | 41 Ų | 41 | 68.4 Ų | 68.4 | 42% | 0.423 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55.2 | -14.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D178 I179 | G175-D178 PolarHBondContact O-N 2.95Å; G175-I179 WeakPolarHBondContact O-CB 3.25Å; G175-I179 WeakPolarHBondContact O-CD1 3.32Å; G175-I179 WeakPolarHBondContact O-CG1 3.33Å; G175-I179 PolarHBondContact O-N 3.39Å |
| 176 | W | 65.3 | Low | 64.2 | Low | 187 Ų | 187 | 73 Ų | 73 | 71% | 0.708 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -60.5 | -41.1 | 173.3 | -73.8 | 105.4 | 0 | 0 | 0 | 114.1 | N174 D178 I179 M180 | N174-W176 PolarHBondContact O-N 3.19Å; W176-D178 VanDerWaalsContact C-N 3.35Å; W176-I179 PolarHBondContact O-N 3.42Å; W176-M180 WeakPolarHBondContact O-CB 3.3Å; W176-M180 VanDerWaalsContact O-CG 3.28Å; W176-M180 WeakPolarHBondContact O-CG 3.27Å; W176-M180 PolarHBondContact O-N 3.47Å |
| 177 | H | 65.7 | Low | 64.8 | Low | 119 Ų | 119 | 76.2 Ų | 76.2 | 55% | 0.551 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -68.2 | -38.7 | 178.3 | -76.8 | -78.3 | 0 | 0 | 0 | 111.4 | N174 M180 F181 | N174-H177 PolarHBondContact O-N 2.92Å; N174-H177 VanDerWaalsContact O-N 3.12Å; H177-M180 PolarHBondContact O-N 2.93Å; H177-F181 WeakPolarHBondContact O-CB 3.26Å; H177-F181 PolarHBondContact O-N 2.96Å |
| 178 | D | 67.4 | Low | 66 | Low | 21 Ų | 21 | 74.9 Ų | 74.9 | 11% | 0.112 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -66.5 | -44.4 | 175.3 | -67.1 | -39.5 | 0 | 0 | 0 | 111.2 | G175 W176 M180 F181 Q182 L244 | G175-D178 PolarHBondContact O-N 2.95Å; W176-D178 VanDerWaalsContact C-N 3.35Å; D178-M180 VanDerWaalsContact C-N 3.35Å; D178-M180 PolarHBondContact O-N 3.13Å; D178-F181 PolarHBondContact O-N 3.03Å; D178-Q182 VanDerWaalsContact O-CG 3.28Å; D178-Q182 WeakPolarHBondContact O-CG 3.44Å; D178-Q182 PolarHBondContact O-N 3.43Å; D178-L244 HydrophobicContact CB-CD2 3.98Å; D178-L244 WeakPolarHBondContact OD2-CD1 3.28Å |
| 179 | I | 71.6 | Confident | 67.6 | Low | 85 Ų | 85 | 72.1 Ų | 72.1 | 44% | 0.436 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -58.9 | -46.4 | 175.2 | -69.9 | 164.1 | 0 | 0 | 0 | 110.8 | G175 W176 F181 Q182 L183 | G175-I179 WeakPolarHBondContact O-CB 3.25Å; G175-I179 WeakPolarHBondContact O-CD1 3.32Å; G175-I179 WeakPolarHBondContact O-CG1 3.33Å; G175-I179 PolarHBondContact O-N 3.39Å; W176-I179 PolarHBondContact O-N 3.42Å; I179-F181 VanDerWaalsContact C-N 3.33Å; I179-F181 PolarHBondContact O-N 3.36Å; I179-Q182 PolarHBondContact O-N 3.08Å; I179-L183 HydrophobicContact CG2-CD1 3.8Å; I179-L183 HydrophobicContact CG2-CG 4.26Å; I179-L183 WeakPolarHBondContact O-CB 3.39Å; I179-L183 VanDerWaalsContact O-CG 3.27Å; I179-L183 WeakPolarHBondContact O-CG 3.35Å; I179-L183 PolarHBondContact O-N 3.41Å |
| 180 | M | 72.6 | Confident | 69.8 | Low | 105 Ų | 105 | 70.9 Ų | 70.9 | 52% | 0.517 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 177.6 | -73.6 | -64.6 | 121.3 | 0 | 0 | 111.6 | W176 H177 D178 L183 E184 | W176-M180 WeakPolarHBondContact O-CB 3.3Å; W176-M180 VanDerWaalsContact O-CG 3.28Å; W176-M180 WeakPolarHBondContact O-CG 3.27Å; W176-M180 PolarHBondContact O-N 3.47Å; H177-M180 PolarHBondContact O-N 2.93Å; D178-M180 VanDerWaalsContact C-N 3.35Å; D178-M180 PolarHBondContact O-N 3.13Å; M180-L183 HydrophobicContact CE-CD1 3.83Å; M180-L183 PolarHBondContact O-N 3.01Å; M180-E184 WeakPolarHBondContact O-CB 3.47Å; M180-E184 PolarHBondContact O-N 3.42Å |
| 181 | F | 71.3 | Confident | 72.1 | Confident | 23 Ų | 23 | 70.5 Ų | 70.5 | 10% | 0.101 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 175.9 | -177 | -88 | 0 | 0 | 0 | 112.5 | R99 H177 D178 I179 E184 V237 R240 | R99-F181 VanDerWaalsContact NH2-CZ 3.34Å; H177-F181 WeakPolarHBondContact O-CB 3.26Å; H177-F181 PolarHBondContact O-N 2.96Å; D178-F181 PolarHBondContact O-N 3.03Å; I179-F181 VanDerWaalsContact C-N 3.33Å; I179-F181 PolarHBondContact O-N 3.36Å; F181-E184 WeakPolarHBondContact O-CB 3.27Å; F181-E184 PolarHBondContact O-N 2.93Å; F181-V237 HydrophobicContact CE1-CG2 4.24Å; F181-R240 VanDerWaalsContact CE1-CD 3.45Å; F181-R240 HydrophobicContact CE1-CG 4.43Å |
| 182 | Q | 75 | Confident | 74.6 | Confident | 30 Ų | 30 | 63.7 Ų | 63.7 | 14% | 0.14 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 176.2 | -63.9 | -50.8 | -24 | 0 | 0 | 111.2 | D178 I179 E184 F185 F186 | D178-Q182 VanDerWaalsContact O-CG 3.28Å; D178-Q182 WeakPolarHBondContact O-CG 3.44Å; D178-Q182 PolarHBondContact O-N 3.43Å; I179-Q182 PolarHBondContact O-N 3.08Å; Q182-E184 VanDerWaalsContact C-N 3.32Å; Q182-E184 PolarHBondContact O-N 3.5Å; Q182-F185 PolarHBondContact O-N 2.91Å; Q182-F186 HydrophobicContact CB-CD2 4.18Å; Q182-F186 WeakPolarHBondContact O-CD2 3.49Å; Q182-F186 PolarHBondContact O-N 3.27Å; Q182-F186 VanDerWaalsContact OE1-CE2 3.25Å |
| 183 | L | 80.3 | Confident | 77.1 | Confident | 85 Ų | 85 | 66.1 Ų | 66.1 | 45% | 0.445 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 176.3 | -73.1 | 173.6 | 0 | 0 | 0 | 111.5 | I179 M180 F185 L187 P188 | I179-L183 HydrophobicContact CG2-CD1 3.8Å; I179-L183 HydrophobicContact CG2-CG 4.26Å; I179-L183 WeakPolarHBondContact O-CB 3.39Å; I179-L183 VanDerWaalsContact O-CG 3.27Å; I179-L183 WeakPolarHBondContact O-CG 3.35Å; I179-L183 PolarHBondContact O-N 3.41Å; M180-L183 HydrophobicContact CE-CD1 3.83Å; M180-L183 PolarHBondContact O-N 3.01Å; L183-F185 PolarHBondContact O-N 3.17Å; L183-F185 VanDerWaalsContact O-N 3.12Å; L183-L187 VanDerWaalsContact O-CB 3.25Å; L183-L187 WeakPolarHBondContact O-CB 3.19Å; L183-L187 PolarHBondContact O-N 3.36Å; L183-P188 WeakPolarHBondContact O-CD 3.31Å |
| 184 | E | 79.4 | Confident | 79.5 | Confident | 76 Ų | 76 | 66.8 Ų | 66.8 | 36% | 0.355 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -56.4 | -28.1 | 176.4 | -167.9 | -175.7 | 171 | 0 | 0 | 112.5 | A100 M180 F181 Q182 P188 | A100-E184 WeakPolarHBondContact CB-OE1 3.37Å; M180-E184 WeakPolarHBondContact O-CB 3.47Å; M180-E184 PolarHBondContact O-N 3.42Å; F181-E184 WeakPolarHBondContact O-CB 3.27Å; F181-E184 PolarHBondContact O-N 2.93Å; Q182-E184 VanDerWaalsContact C-N 3.32Å; Q182-E184 PolarHBondContact O-N 3.5Å; E184-P188 WeakPolarHBondContact O-CD 3.43Å; E184-P188 WeakPolarHBondContact O-CG 3.3Å |
| 185 | F | 81.9 | Confident | 81.3 | Confident | 4 Ų | 4 | 62 Ų | 62 | 2% | 0.018 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -99.3 | -54.5 | 177.4 | 177 | -105.9 | 0 | 0 | 0 | 114 | Q182 L183 L187 P188 L189 F229 Y233 L234 V237 | Q182-F185 PolarHBondContact O-N 2.91Å; L183-F185 PolarHBondContact O-N 3.17Å; L183-F185 VanDerWaalsContact O-N 3.12Å; F185-L187 PolarHBondContact O-N 3.33Å; F185-P188 WeakPolarHBondContact O-CD 3.46Å; F185-L189 HydrophobicContact CE1-CD2 3.8Å; F185-L189 HydrophobicContact CZ-CD2 3.91Å; F185-L189 WeakPolarHBondContact O-CB 3.5Å; F185-L189 PolarHBondContact O-N 2.95Å; F185-F229 AromaticContact CD2-CE1 3.68Å; F185-F229 HydrophobicContact CD2-CE1 3.68Å; F185-F229 AromaticContact CD2-CZ 3.97Å; F185-F229 HydrophobicContact CD2-CZ 3.97Å; F185-F229 HydrophobicContact CE2-CD1 4.02Å; F185-F229 AromaticContact CE2-CE1 3.34Å; F185-F229 HydrophobicContact CE2-CE1 3.34Å; F185-F229 HydrophobicContact CE2-CZ 4.07Å; F185-F229 HydrophobicContact CZ-CE1 4.17Å; F185-Y233 VanDerWaalsContact CE2-CB 3.43Å; F185-L234 HydrophobicContact CE1-CD1 3.83Å; F185-L234 HydrophobicContact CZ-CB 4.12Å; F185-L234 HydrophobicContact CZ-CD1 3.83Å; F185-V237 HydrophobicContact CB-CG1 4.35Å; F185-V237 HydrophobicContact CB-CG2 3.9Å; F185-V237 HydrophobicContact CD1-CB 4.04Å; F185-V237 HydrophobicContact CD1-CG1 3.7Å; F185-V237 HydrophobicContact CD1-CG2 3.99Å; F185-V237 HydrophobicContact CD2-CG2 3.88Å; F185-V237 HydrophobicContact CE1-CB 4.29Å; F185-V237 HydrophobicContact CE1-CG1 4.24Å; F185-V237 HydrophobicContact CE1-CG2 4.48Å; F185-V237 HydrophobicContact CE2-CG2 4.41Å; F185-V237 HydrophobicContact CG-CB 4.22Å; F185-V237 HydrophobicContact CG-CG1 4.13Å; F185-V237 HydrophobicContact CG-CG2 3.63Å |
| 186 | F | 87.4 | Confident | 82.5 | Confident | 97 Ų | 97 | 60.4 Ų | 60.4 | 43% | 0.425 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -70.1 | -32.6 | -169.4 | -76.1 | -69 | 0 | 0 | 0 | 112.8 | Q182 L189 G190 V237 | Q182-F186 HydrophobicContact CB-CD2 4.18Å; Q182-F186 WeakPolarHBondContact O-CD2 3.49Å; Q182-F186 PolarHBondContact O-N 3.27Å; Q182-F186 VanDerWaalsContact OE1-CE2 3.25Å; F186-L189 HydrophobicContact CD1-CD2 4.47Å; F186-G190 PolarHBondContact O-N 2.7Å; F186-V237 HydrophobicContact CE2-CG1 4.25Å; F186-V237 HydrophobicContact CZ-CG1 4.46Å |
| 187 | L | 90.6 | Very high | 83.7 | Confident | 107 Ų | 107 | 57 Ų | 57 | 56% | 0.56 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -67.1 | -53.6 | 176.9 | 173.9 | 71.9 | 0 | 0 | 0 | 110.8 | L183 F185 L189 G190 I191 | L183-L187 VanDerWaalsContact O-CB 3.25Å; L183-L187 WeakPolarHBondContact O-CB 3.19Å; L183-L187 PolarHBondContact O-N 3.36Å; F185-L187 PolarHBondContact O-N 3.33Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 2.93Å; L187-G190 PolarHBondContact O-N 3.36Å; L187-I191 HydrophobicContact CD1-CD1 4.14Å; L187-I191 HydrophobicContact CG-CD1 4.07Å; L187-I191 VanDerWaalsContact O-CG1 3.3Å; L187-I191 WeakPolarHBondContact O-CG1 3.4Å; L187-I191 PolarHBondContact O-N 3.46Å |
| 188 | P | 90.6 | Very high | 84.8 | Confident | 15 Ų | 15 | 55.1 Ų | 55.1 | 10% | 0.097 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -52 | -45 | 169.5 | -38.4 | 45.5 | 0 | 0 | 0 | 114.7 | I103 T107 L183 E184 F185 I191 I192 F229 | I103-P188 HydrophobicContact CG2-CB 3.64Å; I103-P188 HydrophobicContact CG2-CG 3.55Å; T107-P188 WeakPolarHBondContact OG1-CB 3.17Å; L183-P188 WeakPolarHBondContact O-CD 3.31Å; E184-P188 WeakPolarHBondContact O-CD 3.43Å; E184-P188 WeakPolarHBondContact O-CG 3.3Å; F185-P188 WeakPolarHBondContact O-CD 3.46Å; P188-I191 PolarHBondContact O-N 2.88Å; P188-I192 WeakPolarHBondContact O-CB 3.49Å; P188-I192 VanDerWaalsContact O-CG1 3.27Å; P188-I192 WeakPolarHBondContact O-CG1 3.25Å; P188-I192 PolarHBondContact O-N 3.36Å; P188-F229 HydrophobicContact CB-CE2 4.3Å; P188-F229 HydrophobicContact CB-CZ 3.85Å |
| 189 | L | 89.8 | Confident | 85.7 | Confident | 23 Ų | 23 | 54.2 Ų | 54.2 | 12% | 0.12 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60 | -49.2 | 178 | -178.8 | 62.5 | 0 | 0 | 0 | 111.3 | F185 F186 L187 I191 I192 L193 F229 I230 | F185-L189 HydrophobicContact CE1-CD2 3.8Å; F185-L189 HydrophobicContact CZ-CD2 3.91Å; F185-L189 WeakPolarHBondContact O-CB 3.5Å; F185-L189 PolarHBondContact O-N 2.95Å; F186-L189 HydrophobicContact CD1-CD2 4.47Å; L187-L189 VanDerWaalsContact C-N 3.33Å; L187-L189 PolarHBondContact O-N 2.93Å; L189-I191 VanDerWaalsContact C-N 3.32Å; L189-I191 PolarHBondContact O-N 3.49Å; L189-I192 PolarHBondContact O-N 2.87Å; L189-L193 HydrophobicContact CD1-CD1 4.03Å; L189-L193 HydrophobicContact CD1-CG 4.1Å; L189-L193 HydrophobicContact CG-CD1 3.92Å; L189-L193 HydrophobicContact CG-CG 4.36Å; L189-L193 WeakPolarHBondContact O-CB 3.42Å; L189-L193 VanDerWaalsContact O-CG 3.3Å; L189-L193 WeakPolarHBondContact O-CG 3.34Å; L189-L193 PolarHBondContact O-N 3.44Å; L189-F229 HydrophobicContact CB-CD1 4.5Å; L189-F229 HydrophobicContact CB-CE1 3.89Å; L189-F229 HydrophobicContact CD1-CD1 3.86Å; L189-F229 HydrophobicContact CD1-CE1 4.1Å; L189-I230 HydrophobicContact CD1-CD1 4.37Å; L189-I230 HydrophobicContact CD1-CG1 3.79Å |
| 190 | G | 92.3 | Very high | 86.3 | Confident | 38 Ų | 38 | 51.7 Ų | 51.7 | 39% | 0.392 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.6 | -43.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | F186 L187 L193 F194 | F186-G190 PolarHBondContact O-N 2.7Å; L187-G190 PolarHBondContact O-N 3.36Å; G190-L193 PolarHBondContact O-N 3.3Å; G190-F194 VanDerWaalsContact O-CB 3.24Å; G190-F194 WeakPolarHBondContact O-CB 3.24Å; G190-F194 PolarHBondContact O-N 3.45Å |
| 191 | I | 94.3 | Very high | 87 | Confident | 58 Ų | 58 | 53.8 Ų | 53.8 | 30% | 0.297 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 176.3 | -66 | 165.6 | 0 | 0 | 0 | 110.9 | T107 V111 L187 P188 L189 F194 C195 | T107-I191 HydrophobicContact CG2-CB 4.03Å; T107-I191 HydrophobicContact CG2-CD1 4.1Å; T107-I191 HydrophobicContact CG2-CG2 3.69Å; V111-I191 HydrophobicContact CG2-CG2 3.52Å; L187-I191 HydrophobicContact CD1-CD1 4.14Å; L187-I191 HydrophobicContact CG-CD1 4.07Å; L187-I191 VanDerWaalsContact O-CG1 3.3Å; L187-I191 WeakPolarHBondContact O-CG1 3.4Å; L187-I191 PolarHBondContact O-N 3.46Å; P188-I191 PolarHBondContact O-N 2.88Å; L189-I191 VanDerWaalsContact C-N 3.32Å; L189-I191 PolarHBondContact O-N 3.49Å; I191-F194 PolarHBondContact O-N 2.95Å; I191-C195 VanDerWaalsContact O-CB 3.3Å; I191-C195 WeakPolarHBondContact O-CB 3.34Å; I191-C195 PolarHBondContact O-N 3.27Å; I191-C195 PolarHBondContact O-SG 2.86Å |
| 192 | I | 91.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -62.5 | -44.8 | -179.9 | -69.8 | 167.6 | 0 | 0 | 0 | 110.7 | A110 P188 L189 C195 S196 V225 A226 F229 | A110-I192 HydrophobicContact CB-CG1 3.92Å; P188-I192 WeakPolarHBondContact O-CB 3.49Å; P188-I192 VanDerWaalsContact O-CG1 3.27Å; P188-I192 WeakPolarHBondContact O-CG1 3.25Å; P188-I192 PolarHBondContact O-N 3.36Å; L189-I192 PolarHBondContact O-N 2.87Å; I192-C195 PolarHBondContact O-N 2.95Å; I192-S196 VanDerWaalsContact O-CB 3.3Å; I192-S196 WeakPolarHBondContact O-CB 3.2Å; I192-S196 PolarHBondContact O-N 3.4Å; I192-S196 PolarHBondContact O-OG 3.14Å; I192-V225 HydrophobicContact CG2-CG1 4.48Å; I192-A226 HydrophobicContact CG2-CB 3.93Å; I192-F229 HydrophobicContact CD1-CB 4.44Å; I192-F229 HydrophobicContact CD1-CD1 4.45Å; I192-F229 HydrophobicContact CD1-CD2 3.71Å; I192-F229 HydrophobicContact CD1-CE2 4Å; I192-F229 HydrophobicContact CD1-CG 3.95Å |
| 193 | L | 92.3 | Very high | 87.6 | Confident | 80 Ų | 80 | 53 Ų | 53 | 42% | 0.419 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.2 | -45.3 | 178.6 | -70.4 | 177.6 | 0 | 0 | 0 | 111.7 | L189 G190 S196 F197 I230 | L189-L193 HydrophobicContact CD1-CD1 4.03Å; L189-L193 HydrophobicContact CD1-CG 4.1Å; L189-L193 HydrophobicContact CG-CD1 3.92Å; L189-L193 HydrophobicContact CG-CG 4.36Å; L189-L193 WeakPolarHBondContact O-CB 3.42Å; L189-L193 VanDerWaalsContact O-CG 3.3Å; L189-L193 WeakPolarHBondContact O-CG 3.34Å; L189-L193 PolarHBondContact O-N 3.44Å; G190-L193 PolarHBondContact O-N 3.3Å; L193-S196 PolarHBondContact O-N 3.01Å; L193-F197 WeakPolarHBondContact O-CB 3.3Å; L193-F197 PolarHBondContact O-N 3.11Å; L193-I230 HydrophobicContact CD2-CD1 4.43Å |
| 194 | F | 93.6 | Very high | 87.6 | Confident | 106 Ų | 106 | 58.6 Ų | 58.6 | 47% | 0.465 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59 | -48.7 | 175.1 | 173 | -98 | 0 | 0 | 0 | 111.6 | Y114 G190 I191 S196 F197 K198 | Y114-F194 HydrophobicContact CE2-CE1 4.38Å; G190-F194 VanDerWaalsContact O-CB 3.24Å; G190-F194 WeakPolarHBondContact O-CB 3.24Å; G190-F194 PolarHBondContact O-N 3.45Å; I191-F194 PolarHBondContact O-N 2.95Å; F194-S196 VanDerWaalsContact C-N 3.34Å; F194-S196 PolarHBondContact O-N 3.23Å; F194-F197 PolarHBondContact O-N 3.48Å; F194-K198 HydrophobicContact CD1-CG 4.43Å; F194-K198 HydrophobicContact CD2-CG 4.15Å; F194-K198 HydrophobicContact CE1-CG 4.06Å; F194-K198 HydrophobicContact CE2-CD 4.07Å; F194-K198 HydrophobicContact CE2-CG 3.76Å; F194-K198 HydrophobicContact CG-CG 4.48Å; F194-K198 HydrophobicContact CZ-CD 4.17Å; F194-K198 HydrophobicContact CZ-CG 3.72Å; F194-K198 WeakPolarHBondContact O-CB 3.35Å; F194-K198 WeakPolarHBondContact O-CG 3.44Å; F194-K198 PolarHBondContact O-N 2.87Å |
| 195 | C | 91.3 | Very high | 87.5 | Confident | 3 Ų | 3 | 65 Ų | 65 | 2% | 0.02 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58 | -48 | 177 | -72.2 | 0 | 0 | 0 | 0 | 110.8 | Y114 I191 I192 F197 K198 I199 | Y114-C195 HydrophobicContact CG-CB 4.49Å; I191-C195 VanDerWaalsContact O-CB 3.3Å; I191-C195 WeakPolarHBondContact O-CB 3.34Å; I191-C195 PolarHBondContact O-N 3.27Å; I191-C195 PolarHBondContact O-SG 2.86Å; I192-C195 PolarHBondContact O-N 2.95Å; C195-F197 PolarHBondContact O-N 3.4Å; C195-K198 PolarHBondContact O-N 2.91Å; C195-I199 WeakPolarHBondContact O-CB 3.28Å; C195-I199 WeakPolarHBondContact O-CD1 3.27Å; C195-I199 WeakPolarHBondContact O-CG1 3.46Å; C195-I199 PolarHBondContact O-N 3.35Å |
| 196 | S | 88.3 | Confident | 87.1 | Confident | 6 Ų | 6 | 69.2 Ų | 69.2 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -58.8 | -49 | 178.9 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | I192 L193 F194 I199 V200 I222 | I192-S196 VanDerWaalsContact O-CB 3.3Å; I192-S196 WeakPolarHBondContact O-CB 3.2Å; I192-S196 PolarHBondContact O-N 3.4Å; I192-S196 PolarHBondContact O-OG 3.14Å; L193-S196 PolarHBondContact O-N 3.01Å; F194-S196 VanDerWaalsContact C-N 3.34Å; F194-S196 PolarHBondContact O-N 3.23Å; S196-I199 PolarHBondContact O-N 3.41Å; S196-V200 VanDerWaalsContact O-CG2 3.31Å; S196-V200 WeakPolarHBondContact O-CG2 3.49Å; S196-V200 PolarHBondContact O-N 3.34Å; S196-I222 VanDerWaalsContact OG-CG1 3.26Å; S196-I222 WeakPolarHBondContact OG-CG1 3.34Å |
| 197 | F | 89.6 | Confident | 85.8 | Confident | 117 Ų | 117 | 72.8 Ų | 72.8 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.9 | -50 | 179.4 | 176.6 | -107.6 | 0 | 0 | 0 | 112.1 | L193 F194 C195 I199 V200 W201 | L193-F197 WeakPolarHBondContact O-CB 3.3Å; L193-F197 PolarHBondContact O-N 3.11Å; F194-F197 PolarHBondContact O-N 3.48Å; C195-F197 PolarHBondContact O-N 3.4Å; F197-I199 VanDerWaalsContact C-N 3.32Å; F197-I199 PolarHBondContact O-N 3.22Å; F197-V200 PolarHBondContact O-N 3.43Å; F197-W201 HydrophobicContact CD1-CE3 4.46Å; F197-W201 AromaticContact CE1-CE3 3.47Å; F197-W201 HydrophobicContact CE1-CE3 3.47Å; F197-W201 VanDerWaalsContact CE1-CE3 3.47Å; F197-W201 AromaticContact CE1-CZ3 3.8Å; F197-W201 HydrophobicContact CE1-CZ3 3.8Å; F197-W201 HydrophobicContact CE2-CE3 4.15Å; F197-W201 AromaticContact CZ-CE3 3.3Å; F197-W201 HydrophobicContact CZ-CE3 3.3Å; F197-W201 AromaticContact CZ-CZ3 3.5Å; F197-W201 HydrophobicContact CZ-CZ3 3.5Å; F197-W201 WeakPolarHBondContact O-CB 3.35Å; F197-W201 PolarHBondContact O-N 2.92Å |
| 198 | K | 89.7 | Confident | 84.5 | Confident | 79 Ų | 79 | 74.2 Ų | 74.2 | 34% | 0.343 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.2 | -36.1 | -179.6 | -67.6 | -71.6 | -69.5 | -168.3 | 0 | 112.3 | Y114 V118 F194 C195 S202 | Y114-K198 HydrophobicContact CD2-CB 3.97Å; Y114-K198 HydrophobicContact CE2-CB 3.58Å; Y114-K198 HydrophobicContact CE2-CG 4.1Å; V118-K198 HydrophobicContact CG2-CB 4.4Å; F194-K198 HydrophobicContact CD1-CG 4.43Å; F194-K198 HydrophobicContact CD2-CG 4.15Å; F194-K198 HydrophobicContact CE1-CG 4.06Å; F194-K198 HydrophobicContact CE2-CD 4.07Å; F194-K198 HydrophobicContact CE2-CG 3.76Å; F194-K198 HydrophobicContact CG-CG 4.48Å; F194-K198 HydrophobicContact CZ-CD 4.17Å; F194-K198 HydrophobicContact CZ-CG 3.72Å; F194-K198 WeakPolarHBondContact O-CB 3.35Å; F194-K198 WeakPolarHBondContact O-CG 3.44Å; F194-K198 PolarHBondContact O-N 2.87Å; C195-K198 PolarHBondContact O-N 2.91Å; K198-S202 WeakPolarHBondContact O-CB 3.41Å; K198-S202 PolarHBondContact O-N 3.33Å |
| 199 | I | 86.1 | Confident | 83 | Confident | 1 Ų | 1 | 80.9 Ų | 80.9 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.7 | -54.8 | 171.9 | -72.4 | 165.8 | 0 | 0 | 0 | 109.4 | R113 Y114 V117 V118 C195 S196 F197 W201 S202 L203 I222 | R113-I199 HydrophobicContact CB-CD1 4.35Å; Y114-I199 HydrophobicContact CD2-CG1 4.49Å; V117-I199 HydrophobicContact CB-CG1 4.31Å; V117-I199 HydrophobicContact CG1-CG2 4.12Å; V118-I199 HydrophobicContact CG2-CG1 4.1Å; C195-I199 WeakPolarHBondContact O-CB 3.28Å; C195-I199 WeakPolarHBondContact O-CD1 3.27Å; C195-I199 WeakPolarHBondContact O-CG1 3.46Å; C195-I199 PolarHBondContact O-N 3.35Å; S196-I199 PolarHBondContact O-N 3.41Å; F197-I199 VanDerWaalsContact C-N 3.32Å; F197-I199 PolarHBondContact O-N 3.22Å; I199-W201 VanDerWaalsContact C-N 3.32Å; I199-W201 PolarHBondContact O-N 3.24Å; I199-S202 PolarHBondContact O-N 3Å; I199-L203 HydrophobicContact CG2-CD1 3.79Å; I199-L203 HydrophobicContact CG2-CG 4.46Å; I199-L203 WeakPolarHBondContact O-CB 3.41Å; I199-L203 WeakPolarHBondContact O-CG 3.43Å; I199-L203 PolarHBondContact O-N 2.97Å; I199-I222 HydrophobicContact CD1-CB 4.4Å; I199-I222 HydrophobicContact CD1-CG1 4.16Å; I199-I222 HydrophobicContact CD1-CG2 4.33Å; I199-I222 HydrophobicContact CG2-CG2 4.48Å |
| 200 | V | 84.9 | Confident | 81.4 | Confident | 33 Ų | 33 | 84.3 Ų | 84.3 | 20% | 0.2 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -56.9 | -46.3 | -179.6 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | S196 F197 L203 R204 T219 | S196-V200 VanDerWaalsContact O-CG2 3.31Å; S196-V200 WeakPolarHBondContact O-CG2 3.49Å; S196-V200 PolarHBondContact O-N 3.34Å; F197-V200 PolarHBondContact O-N 3.43Å; V200-L203 PolarHBondContact O-N 3.26Å; V200-R204 WeakPolarHBondContact O-CG 3.4Å; V200-R204 PolarHBondContact O-N 3.12Å; V200-T219 HydrophobicContact CG2-CG2 3.73Å |
| 201 | W | 85.8 | Confident | 79.9 | Confident | 149 Ų | 149 | 87.7 Ų | 87.7 | 56% | 0.564 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -59.7 | -54 | 177.3 | -171.5 | -42.9 | 0 | 0 | 0 | 111.5 | F197 I199 L203 R204 R205 | F197-W201 HydrophobicContact CD1-CE3 4.46Å; F197-W201 AromaticContact CE1-CE3 3.47Å; F197-W201 HydrophobicContact CE1-CE3 3.47Å; F197-W201 VanDerWaalsContact CE1-CE3 3.47Å; F197-W201 AromaticContact CE1-CZ3 3.8Å; F197-W201 HydrophobicContact CE1-CZ3 3.8Å; F197-W201 HydrophobicContact CE2-CE3 4.15Å; F197-W201 AromaticContact CZ-CE3 3.3Å; F197-W201 HydrophobicContact CZ-CE3 3.3Å; F197-W201 AromaticContact CZ-CZ3 3.5Å; F197-W201 HydrophobicContact CZ-CZ3 3.5Å; F197-W201 WeakPolarHBondContact O-CB 3.35Å; F197-W201 PolarHBondContact O-N 2.92Å; I199-W201 VanDerWaalsContact C-N 3.32Å; I199-W201 PolarHBondContact O-N 3.24Å; W201-L203 PolarHBondContact O-N 2.88Å; W201-L203 VanDerWaalsContact O-N 3.14Å; W201-R204 PolarHBondContact O-N 3.43Å; W201-R204 VanDerWaalsContact O-N 3.11Å; W201-R205 PolarHBondContact O-N 2.89Å; W201-R205 VanDerWaalsContact O-N 3.14Å |
| 202 | S | 82.7 | Confident | 78.4 | Confident | 16 Ų | 16 | 89.4 Ų | 89.4 | 11% | 0.112 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -55.7 | -35.6 | -178.1 | -173.2 | 0 | 0 | 0 | 0 | 111.6 | K198 I199 R205 R206 | K198-S202 WeakPolarHBondContact O-CB 3.41Å; K198-S202 PolarHBondContact O-N 3.33Å; I199-S202 PolarHBondContact O-N 3Å; S202-R205 PolarHBondContact O-N 3.41Å; S202-R206 WeakPolarHBondContact O-CG 3.2Å; S202-R206 PolarHBondContact O-N 3.38Å |
| 203 | L | 77.6 | Confident | 77.1 | Confident | 21 Ų | 21 | 93 Ų | 93 | 11% | 0.11 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -75 | -38.5 | 178.9 | -66.1 | 178.8 | 0 | 0 | 0 | 113.7 | V117 I199 V200 W201 R205 R206 M215 T219 | V117-L203 HydrophobicContact CG1-CD1 4.28Å; V117-L203 HydrophobicContact CG1-CD2 3.72Å; V117-L203 HydrophobicContact CG1-CG 4.01Å; I199-L203 HydrophobicContact CG2-CD1 3.79Å; I199-L203 HydrophobicContact CG2-CG 4.46Å; I199-L203 WeakPolarHBondContact O-CB 3.41Å; I199-L203 WeakPolarHBondContact O-CG 3.43Å; I199-L203 PolarHBondContact O-N 2.97Å; V200-L203 PolarHBondContact O-N 3.26Å; W201-L203 PolarHBondContact O-N 2.88Å; W201-L203 VanDerWaalsContact O-N 3.14Å; L203-R205 PolarHBondContact O-N 3.48Å; L203-R206 PolarHBondContact O-N 2.88Å; L203-M215 HydrophobicContact CD1-CB 3.81Å; L203-M215 HydrophobicContact CD2-CB 3.35Å; L203-M215 HydrophobicContact CD2-CE 4.41Å; L203-M215 HydrophobicContact CD2-CG 3.34Å; L203-M215 HydrophobicContact CD2-SD 3.58Å; L203-M215 VanDerWaalsContact CD2-SD 3.58Å; L203-M215 HydrophobicContact CG-CB 4.13Å; L203-T219 WeakPolarHBondContact CD1-OG1 3.31Å |
| 204 | R | 78.9 | Confident | 75.8 | Confident | 202 Ų | 202 | 99.1 Ų | 99.1 | 76% | 0.762 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.3 | -34.1 | 172.3 | -72.7 | 180 | -178.4 | -172.8 | 0.8 | 111.8 | V200 W201 | V200-R204 WeakPolarHBondContact O-CG 3.4Å; V200-R204 PolarHBondContact O-N 3.12Å; W201-R204 PolarHBondContact O-N 3.43Å; W201-R204 VanDerWaalsContact O-N 3.11Å |
| 205 | R | 77.4 | Confident | 74.5 | Confident | 210 Ų | 210 | 95 Ų | 95 | 79% | 0.792 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -77.8 | -22.9 | -179.5 | -160 | 176.8 | -176.7 | -165.1 | 0.7 | 114.1 | W201 S202 L203 | W201-R205 PolarHBondContact O-N 2.89Å; W201-R205 VanDerWaalsContact O-N 3.14Å; S202-R205 PolarHBondContact O-N 3.41Å; L203-R205 PolarHBondContact O-N 3.48Å |
| 206 | R | 74.6 | Confident | 73.5 | Confident | 93 Ų | 93 | 101.8 Ų | 101.8 | 35% | 0.351 | 47% | 0.468 | S | S | . | . | trans | -101 | 87.5 | -176 | -67.6 | 176.5 | -179.7 | 167.7 | 3.7 | 110.6 | V117 V118 S202 L203 Q208 | V117-R206 PolarHBondContact O-NH1 3.4Å; V118-R206 PolarHBondContact O-NH2 2.99Å; S202-R206 WeakPolarHBondContact O-CG 3.2Å; S202-R206 PolarHBondContact O-N 3.38Å; L203-R206 PolarHBondContact O-N 2.88Å; R206-Q208 VanDerWaalsContact C-N 3.26Å; R206-Q208 PolarHBondContact O-N 2.95Å | ||
| 207 | Q | 60.4 | Low | 72.8 | Confident | 172 Ų | 172 | 104.6 Ų | 104.6 | 80% | 0.804 | 48% | 0.48 | S | S | * | . | trans | -73.7 | 46.9 | -178.9 | -86.9 | 173.2 | -36.8 | 0 | 0 | 115.1 | ||||
| 208 | Q | 62.6 | Low | 72 | Confident | 136 Ų | 136 | 99.9 Ų | 99.9 | 64% | 0.636 | 46% | 0.462 | S | S | * | . | trans | -106.6 | 115.4 | 173.3 | -73.3 | -157.1 | -25.1 | 0 | 0 | 112.6 | R206 A210 R211 Q212 | R206-Q208 VanDerWaalsContact C-N 3.26Å; R206-Q208 PolarHBondContact O-N 2.95Å; Q208-A210 PolarHBondContact O-N 3.34Å; Q208-R211 HydrophobicContact CB-CB 4.14Å; Q208-R211 WeakPolarHBondContact O-CB 3.46Å; Q208-R211 PolarHBondContact O-N 2.89Å; Q208-R211 VanDerWaalsContact O-N 3.09Å; Q208-Q212 WeakPolarHBondContact O-CG 3.09Å; Q208-Q212 PolarHBondContact O-N 3.06Å | ||
| 209 | L | 58.6 | Low | 71.4 | Confident | 155 Ų | 155 | 97.6 Ų | 97.6 | 81% | 0.812 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -53.8 | -46.8 | -172.4 | -91.3 | 71.8 | 0 | 0 | 0 | 114.6 | R211 Q212 | L209-R211 VanDerWaalsContact C-N 3.32Å; L209-R211 PolarHBondContact O-N 2.75Å; L209-Q212 WeakPolarHBondContact O-CB 3.4Å; L209-Q212 PolarHBondContact O-N 2.92Å; L209-Q212 VanDerWaalsContact O-N 3.16Å |
| 210 | A | 56 | Low | 71.1 | Confident | 96 Ų | 96 | 104 Ų | 104 | 79% | 0.793 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -69.3 | -31.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q208 Q212 | Q208-A210 PolarHBondContact O-N 3.34Å; A210-Q212 VanDerWaalsContact C-N 3.33Å |
| 211 | R | 61.2 | Low | 71 | Confident | 109 Ų | 109 | 102.5 Ų | 102.5 | 41% | 0.411 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -72.2 | -30.5 | 173.8 | -160.3 | 140.9 | 173.3 | 156.5 | -3.6 | 110.4 | Q208 L209 A213 R214 M215 | Q208-R211 HydrophobicContact CB-CB 4.14Å; Q208-R211 WeakPolarHBondContact O-CB 3.46Å; Q208-R211 PolarHBondContact O-N 2.89Å; Q208-R211 VanDerWaalsContact O-N 3.09Å; L209-R211 VanDerWaalsContact C-N 3.32Å; L209-R211 PolarHBondContact O-N 2.75Å; R211-A213 PolarHBondContact O-N 3.45Å; R211-R214 PolarHBondContact O-N 3.27Å; R211-M215 HydrophobicContact CG-CE 3.67Å; R211-M215 HydrophobicContact CG-CG 3.78Å; R211-M215 VanDerWaalsContact NE-CE 3.26Å; R211-M215 WeakPolarHBondContact O-CB 3.4Å; R211-M215 WeakPolarHBondContact O-CG 3.46Å; R211-M215 PolarHBondContact O-N 3.07Å |
| 212 | Q | 62.5 | Low | 70.8 | Confident | 94 Ų | 94 | 95.4 Ų | 95.4 | 44% | 0.439 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.3 | -39.3 | -178.4 | -63 | -130.5 | -27 | 0 | 0 | 114 | Q208 L209 A210 M215 K216 | Q208-Q212 WeakPolarHBondContact O-CG 3.09Å; Q208-Q212 PolarHBondContact O-N 3.06Å; L209-Q212 WeakPolarHBondContact O-CB 3.4Å; L209-Q212 PolarHBondContact O-N 2.92Å; L209-Q212 VanDerWaalsContact O-N 3.16Å; A210-Q212 VanDerWaalsContact C-N 3.33Å; Q212-M215 PolarHBondContact O-N 3.3Å; Q212-K216 WeakPolarHBondContact O-CB 3.41Å; Q212-K216 PolarHBondContact O-N 3.32Å |
| 213 | A | 65.4 | Low | 70.8 | Confident | 75 Ų | 75 | 99 Ų | 99 | 62% | 0.62 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.3 | -47.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R211 M215 K217 | R211-A213 PolarHBondContact O-N 3.45Å; A213-M215 VanDerWaalsContact C-N 3.29Å; A213-M215 PolarHBondContact O-N 2.81Å; A213-K217 PolarHBondContact O-N 3.47Å |
| 214 | R | 64.3 | Low | 71.1 | Confident | 208 Ų | 208 | 99.3 Ų | 99.3 | 79% | 0.785 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -65.2 | -35.4 | 176.4 | -171.5 | 176.6 | 179.8 | -173.3 | -1.4 | 111.5 | R211 A218 | R211-R214 PolarHBondContact O-N 3.27Å; R214-A218 PolarHBondContact O-N 3.38Å |
| 215 | M | 66.8 | Low | 71.4 | Confident | 21 Ų | 21 | 89.7 Ų | 89.7 | 10% | 0.103 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -76.8 | -37.2 | 179.9 | -68.1 | -56.5 | -174 | 0 | 0 | 113.2 | V117 L203 R211 Q212 A213 K217 A218 T219 | V117-M215 HydrophobicContact CB-SD 4.49Å; V117-M215 HydrophobicContact CG1-CE 4.48Å; V117-M215 HydrophobicContact CG1-SD 3.84Å; V117-M215 HydrophobicContact CG2-SD 4.12Å; L203-M215 HydrophobicContact CD1-CB 3.81Å; L203-M215 HydrophobicContact CD2-CB 3.35Å; L203-M215 HydrophobicContact CD2-CE 4.41Å; L203-M215 HydrophobicContact CD2-CG 3.34Å; L203-M215 HydrophobicContact CD2-SD 3.58Å; L203-M215 VanDerWaalsContact CD2-SD 3.58Å; L203-M215 HydrophobicContact CG-CB 4.13Å; R211-M215 HydrophobicContact CG-CE 3.67Å; R211-M215 HydrophobicContact CG-CG 3.78Å; R211-M215 VanDerWaalsContact NE-CE 3.26Å; R211-M215 WeakPolarHBondContact O-CB 3.4Å; R211-M215 WeakPolarHBondContact O-CG 3.46Å; R211-M215 PolarHBondContact O-N 3.07Å; Q212-M215 PolarHBondContact O-N 3.3Å; A213-M215 VanDerWaalsContact C-N 3.29Å; A213-M215 PolarHBondContact O-N 2.81Å; M215-K217 PolarHBondContact O-N 3.42Å; M215-A218 WeakPolarHBondContact O-CA 3.36Å; M215-A218 WeakPolarHBondContact O-CB 3.4Å; M215-A218 PolarHBondContact O-N 2.87Å; M215-T219 PolarHBondContact O-N 3.01Å; M215-T219 PolarHBondContact O-OG1 2.99Å; M215-T219 VanDerWaalsContact O-OG1 3.14Å |
| 216 | K | 71 | Confident | 71.9 | Confident | 145 Ų | 145 | 79.9 Ų | 79.9 | 63% | 0.63 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -61.3 | -33.7 | 172.8 | -171 | 172 | -175 | 175.6 | 0 | 111.4 | Q212 R220 | Q212-K216 WeakPolarHBondContact O-CB 3.41Å; Q212-K216 PolarHBondContact O-N 3.32Å; K216-R220 WeakPolarHBondContact O-CB 3.02Å; K216-R220 PolarHBondContact O-N 3.17Å |
| 217 | K | 73.5 | Confident | 72.5 | Confident | 65 Ų | 65 | 79.2 Ų | 79.2 | 28% | 0.283 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 170.6 | -176.3 | 171.1 | 178.1 | 167.2 | 0 | 112.1 | A213 M215 R220 F221 F280 S282 | A213-K217 PolarHBondContact O-N 3.47Å; M215-K217 PolarHBondContact O-N 3.42Å; K217-R220 PolarHBondContact O-N 2.89Å; K217-F221 WeakPolarHBondContact O-CB 3.42Å; K217-F221 PolarHBondContact O-N 3.48Å; K217-F280 WeakPolarHBondContact CE-O 3.48Å; K217-S282 VanDerWaalsContact NZ-C 3.27Å; K217-S282 PolarHBondContact NZ-O 3.4Å |
| 218 | A | 73.1 | Confident | 73.7 | Confident | 17 Ų | 17 | 71.3 Ų | 71.3 | 14% | 0.14 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64 | -40.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | V117 R214 M215 F221 I222 | V117-A218 HydrophobicContact CG2-CB 4.04Å; R214-A218 PolarHBondContact O-N 3.38Å; M215-A218 WeakPolarHBondContact O-CA 3.36Å; M215-A218 WeakPolarHBondContact O-CB 3.4Å; M215-A218 PolarHBondContact O-N 2.87Å; A218-F221 PolarHBondContact O-N 2.81Å; A218-I222 PolarHBondContact O-N 3.5Å |
| 219 | T | 75.4 | Confident | 74.8 | Confident | 32 Ų | 32 | 64.9 Ų | 64.9 | 20% | 0.196 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.3 | -47.3 | 172.4 | -52.2 | 0 | 0 | 0 | 0 | 111.8 | V200 L203 M215 F221 I222 M223 | V200-T219 HydrophobicContact CG2-CG2 3.73Å; L203-T219 WeakPolarHBondContact CD1-OG1 3.31Å; M215-T219 PolarHBondContact O-N 3.01Å; M215-T219 PolarHBondContact O-OG1 2.99Å; M215-T219 VanDerWaalsContact O-OG1 3.14Å; T219-F221 VanDerWaalsContact C-N 3.29Å; T219-F221 PolarHBondContact O-N 2.75Å; T219-I222 WeakPolarHBondContact O-CG2 3.4Å; T219-I222 PolarHBondContact O-N 3.08Å; T219-M223 HydrophobicContact CG2-CG 4.23Å; T219-M223 WeakPolarHBondContact O-CB 3.28Å; T219-M223 WeakPolarHBondContact O-CG 3.42Å; T219-M223 PolarHBondContact O-N 3.23Å |
| 220 | R | 79.9 | Confident | 76.2 | Confident | 135 Ų | 135 | 60.3 Ų | 60.3 | 51% | 0.509 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.8 | -43.9 | 177.6 | -172.1 | -176.7 | -61.4 | 173.5 | -1.2 | 111.1 | K216 K217 M223 V224 F280 | K216-R220 WeakPolarHBondContact O-CB 3.02Å; K216-R220 PolarHBondContact O-N 3.17Å; K217-R220 PolarHBondContact O-N 2.89Å; R220-M223 PolarHBondContact O-N 3.07Å; R220-V224 WeakPolarHBondContact O-CB 3.36Å; R220-V224 VanDerWaalsContact O-CG2 3.23Å; R220-V224 WeakPolarHBondContact O-CG2 3.25Å; R220-V224 PolarHBondContact O-N 2.78Å; R220-F280 VanDerWaalsContact CD-CE1 3.41Å; R220-F280 HydrophobicContact CG-CD1 4.28Å; R220-F280 HydrophobicContact CG-CE1 4.28Å |
| 221 | F | 82.3 | Confident | 77.6 | Confident | 2 Ų | 2 | 58.9 Ų | 58.9 | 1% | 0.009 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.7 | -51.6 | 177.1 | 172.2 | -100.8 | 0 | 0 | 0 | 112.2 | V109 R113 K217 A218 T219 M223 V224 V225 V277 F280 | V109-F221 HydrophobicContact CG1-CE1 3.66Å; V109-F221 HydrophobicContact CG1-CZ 3.45Å; V109-F221 VanDerWaalsContact CG1-CZ 3.45Å; R113-F221 HydrophobicContact CG-CD1 3.92Å; R113-F221 HydrophobicContact CG-CE1 3.69Å; K217-F221 WeakPolarHBondContact O-CB 3.42Å; K217-F221 PolarHBondContact O-N 3.48Å; A218-F221 PolarHBondContact O-N 2.81Å; T219-F221 VanDerWaalsContact C-N 3.29Å; T219-F221 PolarHBondContact O-N 2.75Å; F221-M223 VanDerWaalsContact C-N 3.32Å; F221-M223 PolarHBondContact O-N 2.02Å; F221-V224 WeakPolarHBondContact O-CB 3.38Å; F221-V224 PolarHBondContact O-N 3.3Å; F221-V225 HydrophobicContact CE1-CG2 4.03Å; F221-V225 HydrophobicContact CE2-CG2 4.04Å; F221-V225 HydrophobicContact CZ-CG2 3.75Å; F221-V225 WeakPolarHBondContact O-CG2 2.98Å; F221-V225 PolarHBondContact O-N 2.75Å; F221-V277 HydrophobicContact CD2-CG1 4.5Å; F221-V277 HydrophobicContact CE2-CB 4.38Å; F221-V277 HydrophobicContact CE2-CG1 3.44Å; F221-V277 VanDerWaalsContact CE2-CG1 3.44Å; F221-V277 WeakPolarHBondContact CE2-O 3.42Å; F221-V277 HydrophobicContact CZ-CG1 3.83Å; F221-F280 HydrophobicContact CB-CB 4.08Å; F221-F280 HydrophobicContact CD2-CB 3.88Å |
| 222 | I | 81.9 | Confident | 78.8 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -68 | -34.4 | -177.6 | -158.6 | 71.9 | 0 | 0 | 0 | 112.2 | A110 S196 I199 A218 T219 V225 A226 | A110-I222 HydrophobicContact CB-CD1 3.56Å; S196-I222 VanDerWaalsContact OG-CG1 3.26Å; S196-I222 WeakPolarHBondContact OG-CG1 3.34Å; I199-I222 HydrophobicContact CD1-CB 4.4Å; I199-I222 HydrophobicContact CD1-CG1 4.16Å; I199-I222 HydrophobicContact CD1-CG2 4.33Å; I199-I222 HydrophobicContact CG2-CG2 4.48Å; A218-I222 PolarHBondContact O-N 3.5Å; T219-I222 WeakPolarHBondContact O-CG2 3.4Å; T219-I222 PolarHBondContact O-N 3.08Å; I222-V225 PolarHBondContact O-N 3.13Å; I222-A226 WeakPolarHBondContact O-CB 3.3Å; I222-A226 PolarHBondContact O-N 3.11Å |
| 223 | M | 82.4 | Confident | 79.9 | Confident | 90 Ų | 90 | 49.3 Ų | 49.3 | 44% | 0.443 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -64.8 | -40.8 | 172.7 | -70.8 | -60.6 | -59.2 | 0 | 0 | 111.6 | T219 R220 F221 A226 V227 | T219-M223 HydrophobicContact CG2-CG 4.23Å; T219-M223 WeakPolarHBondContact O-CB 3.28Å; T219-M223 WeakPolarHBondContact O-CG 3.42Å; T219-M223 PolarHBondContact O-N 3.23Å; R220-M223 PolarHBondContact O-N 3.07Å; F221-M223 VanDerWaalsContact C-N 3.32Å; F221-M223 PolarHBondContact O-N 2.02Å; M223-A226 PolarHBondContact O-N 3.29Å; M223-V227 WeakPolarHBondContact O-CB 3.45Å; M223-V227 VanDerWaalsContact O-CG2 3.25Å; M223-V227 WeakPolarHBondContact O-CG2 3.32Å; M223-V227 PolarHBondContact O-N 3.42Å |
| 224 | V | 85.6 | Confident | 80.8 | Confident | 28 Ų | 28 | 49 Ų | 49 | 17% | 0.17 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.4 | -46.5 | 173.7 | 168.6 | 0 | 0 | 0 | 0 | 110.3 | R220 F221 A226 V227 V228 L276 V277 F280 | R220-V224 WeakPolarHBondContact O-CB 3.36Å; R220-V224 VanDerWaalsContact O-CG2 3.23Å; R220-V224 WeakPolarHBondContact O-CG2 3.25Å; R220-V224 PolarHBondContact O-N 2.78Å; F221-V224 WeakPolarHBondContact O-CB 3.38Å; F221-V224 PolarHBondContact O-N 3.3Å; V224-A226 VanDerWaalsContact C-N 3.34Å; V224-A226 PolarHBondContact O-N 3.05Å; V224-V227 PolarHBondContact O-N 3.3Å; V224-V228 HydrophobicContact CG1-CG2 4.15Å; V224-V228 WeakPolarHBondContact O-CB 3.28Å; V224-V228 VanDerWaalsContact O-CG2 3.25Å; V224-V228 WeakPolarHBondContact O-CG2 3.29Å; V224-V228 PolarHBondContact O-N 3.4Å; V224-L276 HydrophobicContact CG1-CB 4.22Å; V224-V277 HydrophobicContact CG1-CG2 4.32Å; V224-F280 HydrophobicContact CB-CD2 4.41Å; V224-F280 HydrophobicContact CG1-CD2 4.29Å; V224-F280 HydrophobicContact CG2-CD2 3.86Å; V224-F280 HydrophobicContact CG2-CE2 4.02Å |
| 225 | V | 85.3 | Confident | 81.8 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.2 | -47 | 176 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | L106 I192 F221 I222 V228 F229 V277 | L106-V225 HydrophobicContact CB-CG1 4.32Å; L106-V225 HydrophobicContact CD2-CG1 4.17Å; L106-V225 HydrophobicContact CD2-CG2 4.45Å; I192-V225 HydrophobicContact CG2-CG1 4.48Å; F221-V225 HydrophobicContact CE1-CG2 4.03Å; F221-V225 HydrophobicContact CE2-CG2 4.04Å; F221-V225 HydrophobicContact CZ-CG2 3.75Å; F221-V225 WeakPolarHBondContact O-CG2 2.98Å; F221-V225 PolarHBondContact O-N 2.75Å; I222-V225 PolarHBondContact O-N 3.13Å; V225-V228 PolarHBondContact O-N 3.07Å; V225-F229 VanDerWaalsContact O-CB 3.27Å; V225-F229 WeakPolarHBondContact O-CB 3.46Å; V225-F229 PolarHBondContact O-N 3.34Å; V225-V277 HydrophobicContact CG2-CG1 3.82Å; V225-V277 HydrophobicContact CG2-CG2 4.22Å |
| 226 | A | 86.5 | Confident | 82.4 | Confident | 5 Ų | 5 | 40.1 Ų | 40.1 | 4% | 0.041 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.5 | -43.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I192 I222 M223 V224 F229 I230 | I192-A226 HydrophobicContact CG2-CB 3.93Å; I222-A226 WeakPolarHBondContact O-CB 3.3Å; I222-A226 PolarHBondContact O-N 3.11Å; M223-A226 PolarHBondContact O-N 3.29Å; V224-A226 VanDerWaalsContact C-N 3.34Å; V224-A226 PolarHBondContact O-N 3.05Å; A226-F229 PolarHBondContact O-N 2.6Å; A226-I230 WeakPolarHBondContact O-CB 3.25Å; A226-I230 WeakPolarHBondContact O-CD1 3.41Å; A226-I230 VanDerWaalsContact O-CG1 3.23Å; A226-I230 WeakPolarHBondContact O-CG1 3.41Å; A226-I230 PolarHBondContact O-N 3.25Å |
| 227 | V | 87.7 | Confident | 82.8 | Confident | 79 Ų | 79 | 33.2 Ų | 33.2 | 48% | 0.479 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -65.4 | -45.5 | 178.6 | 170 | 0 | 0 | 0 | 0 | 111 | M223 V224 I230 T231 | M223-V227 WeakPolarHBondContact O-CB 3.45Å; M223-V227 VanDerWaalsContact O-CG2 3.25Å; M223-V227 WeakPolarHBondContact O-CG2 3.32Å; M223-V227 PolarHBondContact O-N 3.42Å; V224-V227 PolarHBondContact O-N 3.3Å; V227-I230 PolarHBondContact O-N 2.97Å; V227-T231 HydrophobicContact CG1-CG2 4.22Å; V227-T231 WeakPolarHBondContact O-CB 3.47Å; V227-T231 VanDerWaalsContact O-CG2 3.29Å; V227-T231 WeakPolarHBondContact O-CG2 3.23Å; V227-T231 PolarHBondContact O-N 2.86Å; V227-T231 PolarHBondContact O-OG1 2.94Å |
| 228 | V | 86.6 | Confident | 83.1 | Confident | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.036 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.3 | -47.6 | 176.6 | 171.5 | 0 | 0 | 0 | 0 | 110 | V224 V225 I230 T231 C232 L273 | V224-V228 HydrophobicContact CG1-CG2 4.15Å; V224-V228 WeakPolarHBondContact O-CB 3.28Å; V224-V228 VanDerWaalsContact O-CG2 3.25Å; V224-V228 WeakPolarHBondContact O-CG2 3.29Å; V224-V228 PolarHBondContact O-N 3.4Å; V225-V228 PolarHBondContact O-N 3.07Å; V228-I230 PolarHBondContact O-N 2.85Å; V228-T231 PolarHBondContact O-N 3.21Å; V228-T231 PolarHBondContact O-OG1 3.41Å; V228-T231 VanDerWaalsContact O-OG1 3.11Å; V228-C232 VanDerWaalsContact O-CB 3.29Å; V228-C232 WeakPolarHBondContact O-CB 3.25Å; V228-C232 PolarHBondContact O-N 3.38Å; V228-C232 PolarHBondContact O-SG 3.41Å; V228-L273 HydrophobicContact CG1-CB 3.85Å; V228-L273 HydrophobicContact CG1-CD1 4.3Å; V228-L273 HydrophobicContact CG2-CB 3.86Å; V228-L273 HydrophobicContact CG2-CD1 4.21Å |
| 229 | F | 85.4 | Confident | 83.3 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.3 | -48 | 178.8 | -168.1 | -84.5 | 0 | 0 | 0 | 112.1 | I103 L106 F185 P188 L189 I192 V225 A226 Y233 | I103-F229 HydrophobicContact CB-CE2 4.11Å; I103-F229 HydrophobicContact CG1-CE2 3.83Å; I103-F229 HydrophobicContact CG1-CZ 4.24Å; I103-F229 HydrophobicContact CG2-CE2 3.9Å; I103-F229 HydrophobicContact CG2-CZ 4.1Å; L106-F229 HydrophobicContact CD1-CD2 4.35Å; F185-F229 AromaticContact CD2-CE1 3.68Å; F185-F229 HydrophobicContact CD2-CE1 3.68Å; F185-F229 AromaticContact CD2-CZ 3.97Å; F185-F229 HydrophobicContact CD2-CZ 3.97Å; F185-F229 HydrophobicContact CE2-CD1 4.02Å; F185-F229 AromaticContact CE2-CE1 3.34Å; F185-F229 HydrophobicContact CE2-CE1 3.34Å; F185-F229 HydrophobicContact CE2-CZ 4.07Å; F185-F229 HydrophobicContact CZ-CE1 4.17Å; P188-F229 HydrophobicContact CB-CE2 4.3Å; P188-F229 HydrophobicContact CB-CZ 3.85Å; L189-F229 HydrophobicContact CB-CD1 4.5Å; L189-F229 HydrophobicContact CB-CE1 3.89Å; L189-F229 HydrophobicContact CD1-CD1 3.86Å; L189-F229 HydrophobicContact CD1-CE1 4.1Å; I192-F229 HydrophobicContact CD1-CB 4.44Å; I192-F229 HydrophobicContact CD1-CD1 4.45Å; I192-F229 HydrophobicContact CD1-CD2 3.71Å; I192-F229 HydrophobicContact CD1-CE2 4Å; I192-F229 HydrophobicContact CD1-CG 3.95Å; V225-F229 VanDerWaalsContact O-CB 3.27Å; V225-F229 WeakPolarHBondContact O-CB 3.46Å; V225-F229 PolarHBondContact O-N 3.34Å; A226-F229 PolarHBondContact O-N 2.6Å; F229-Y233 HydrophobicContact CD1-CD2 4.4Å; F229-Y233 AromaticContact CD2-CD2 3.83Å; F229-Y233 HydrophobicContact CD2-CD2 3.83Å; F229-Y233 AromaticContact CD2-CE2 3.98Å; F229-Y233 HydrophobicContact CD2-CE2 3.98Å; F229-Y233 HydrophobicContact CE2-CD2 4.06Å; F229-Y233 HydrophobicContact CE2-CE2 4.25Å; F229-Y233 HydrophobicContact CG-CD2 4.02Å; F229-Y233 HydrophobicContact CZ-CD2 4.43Å; F229-Y233 WeakPolarHBondContact O-CB 3.39Å; F229-Y233 VanDerWaalsContact O-CD2 3.28Å; F229-Y233 WeakPolarHBondContact O-CD2 3.43Å; F229-Y233 PolarHBondContact O-N 2.94Å; F229-Y233 VanDerWaalsContact O-N 3.07Å |
| 230 | I | 87.1 | Confident | 83.3 | Confident | 59 Ų | 59 | 35.5 Ų | 35.5 | 30% | 0.303 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.6 | -49.7 | 179.4 | -69.5 | 165.7 | 0 | 0 | 0 | 110.6 | L189 L193 A226 V227 V228 C232 L234 | L189-I230 HydrophobicContact CD1-CD1 4.37Å; L189-I230 HydrophobicContact CD1-CG1 3.79Å; L193-I230 HydrophobicContact CD2-CD1 4.43Å; A226-I230 WeakPolarHBondContact O-CB 3.25Å; A226-I230 WeakPolarHBondContact O-CD1 3.41Å; A226-I230 VanDerWaalsContact O-CG1 3.23Å; A226-I230 WeakPolarHBondContact O-CG1 3.41Å; A226-I230 PolarHBondContact O-N 3.25Å; V227-I230 PolarHBondContact O-N 2.97Å; V228-I230 PolarHBondContact O-N 2.85Å; I230-C232 VanDerWaalsContact C-N 3.35Å; I230-C232 PolarHBondContact O-N 3.43Å; I230-L234 HydrophobicContact CG2-CB 4.24Å; I230-L234 HydrophobicContact CG2-CD2 3.88Å; I230-L234 WeakPolarHBondContact O-CB 3.43Å; I230-L234 PolarHBondContact O-N 3.07Å |
| 231 | T | 86.4 | Confident | 83.2 | Confident | 67 Ų | 67 | 31.8 Ų | 31.8 | 41% | 0.411 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66 | -35.3 | -175.9 | 51.2 | 0 | 0 | 0 | 0 | 113.2 | V227 V228 P235 | V227-T231 HydrophobicContact CG1-CG2 4.22Å; V227-T231 WeakPolarHBondContact O-CB 3.47Å; V227-T231 VanDerWaalsContact O-CG2 3.29Å; V227-T231 WeakPolarHBondContact O-CG2 3.23Å; V227-T231 PolarHBondContact O-N 2.86Å; V227-T231 PolarHBondContact O-OG1 2.94Å; V228-T231 PolarHBondContact O-N 3.21Å; V228-T231 PolarHBondContact O-OG1 3.41Å; V228-T231 VanDerWaalsContact O-OG1 3.11Å; T231-P235 WeakPolarHBondContact O-CD 3.3Å; T231-P235 WeakPolarHBondContact O-CG 3.36Å |
| 232 | C | 86.4 | Confident | 83 | Confident | 1 Ų | 1 | 38.6 Ų | 38.6 | 1% | 0.007 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -85.6 | -33.1 | -175.8 | -58.6 | 0 | 0 | 0 | 0 | 113.2 | V228 I230 F266 T267 N270 | V228-C232 VanDerWaalsContact O-CB 3.29Å; V228-C232 WeakPolarHBondContact O-CB 3.25Å; V228-C232 PolarHBondContact O-N 3.38Å; V228-C232 PolarHBondContact O-SG 3.41Å; I230-C232 VanDerWaalsContact C-N 3.35Å; I230-C232 PolarHBondContact O-N 3.43Å; C232-F266 WeakPolarHBondContact CA-O 2.98Å; C232-F266 WeakPolarHBondContact CB-O 3.21Å; C232-F266 CarbonylContact O-C 3.16Å; C232-F266 WeakPolarHBondContact O-CB 3.37Å; C232-T267 PolarHBondContact O-N 3.21Å; C232-N270 HydrophobicContact CB-CB 3.8Å; C232-N270 VanDerWaalsContact SG-CA 3.51Å; C232-N270 PolarHBondContact SG-N 2.94Å |
| 233 | Y | 84.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -108.9 | -34.1 | -171.7 | -63.1 | -75.2 | 0 | 0 | 0 | 113.7 | R99 S102 I103 F185 F229 S236 V237 T267 N270 | R99-Y233 HydrophobicContact CG-CD1 4.41Å; R99-Y233 HydrophobicContact CG-CE1 3.82Å; S102-Y233 VanDerWaalsContact CB-OH 3.28Å; S102-Y233 WeakPolarHBondContact CB-OH 3.4Å; I103-Y233 HydrophobicContact CD1-CD1 4.04Å; I103-Y233 HydrophobicContact CD1-CE1 3.91Å; I103-Y233 HydrophobicContact CG1-CD1 4.17Å; I103-Y233 HydrophobicContact CG1-CD2 4.47Å; I103-Y233 HydrophobicContact CG1-CE1 3.76Å; I103-Y233 HydrophobicContact CG1-CE2 4.12Å; F185-Y233 VanDerWaalsContact CE2-CB 3.43Å; F229-Y233 HydrophobicContact CD1-CD2 4.4Å; F229-Y233 AromaticContact CD2-CD2 3.83Å; F229-Y233 HydrophobicContact CD2-CD2 3.83Å; F229-Y233 AromaticContact CD2-CE2 3.98Å; F229-Y233 HydrophobicContact CD2-CE2 3.98Å; F229-Y233 HydrophobicContact CE2-CD2 4.06Å; F229-Y233 HydrophobicContact CE2-CE2 4.25Å; F229-Y233 HydrophobicContact CG-CD2 4.02Å; F229-Y233 HydrophobicContact CZ-CD2 4.43Å; F229-Y233 WeakPolarHBondContact O-CB 3.39Å; F229-Y233 VanDerWaalsContact O-CD2 3.28Å; F229-Y233 WeakPolarHBondContact O-CD2 3.43Å; F229-Y233 PolarHBondContact O-N 2.94Å; F229-Y233 VanDerWaalsContact O-N 3.07Å; Y233-S236 PolarHBondContact O-N 2.66Å; Y233-S236 PolarHBondContact O-OG 3.46Å; Y233-V237 PolarHBondContact O-N 3.21Å; Y233-T267 HydrophobicContact CD1-CG2 4.04Å; Y233-T267 HydrophobicContact CE1-CG2 4.4Å; Y233-N270 HydrophobicContact CE2-CB 4.08Å; Y233-N270 VanDerWaalsContact CE2-OD1 3.3Å; Y233-N270 WeakPolarHBondContact CE2-OD1 2.98Å; Y233-N270 PolarHBondContact OH-ND2 3.27Å; Y233-N270 PolarHBondContact OH-OD1 3.45Å |
| 234 | L | 85.3 | Confident | 82 | Confident | 70 Ų | 70 | 38.1 Ų | 38.1 | 37% | 0.366 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.6 | -44.3 | -177.1 | -172.4 | 66.6 | 0 | 0 | 0 | 112.9 | F185 I230 S236 V237 S238 | F185-L234 HydrophobicContact CE1-CD1 3.83Å; F185-L234 HydrophobicContact CZ-CB 4.12Å; F185-L234 HydrophobicContact CZ-CD1 3.83Å; I230-L234 HydrophobicContact CG2-CB 4.24Å; I230-L234 HydrophobicContact CG2-CD2 3.88Å; I230-L234 WeakPolarHBondContact O-CB 3.43Å; I230-L234 PolarHBondContact O-N 3.07Å; L234-S236 VanDerWaalsContact C-N 3.3Å; L234-S236 PolarHBondContact O-N 3.39Å; L234-V237 PolarHBondContact O-N 2.9Å; L234-S238 WeakPolarHBondContact O-CB 3.33Å; L234-S238 PolarHBondContact O-N 3.12Å; L234-S238 PolarHBondContact O-OG 2.89Å |
| 235 | P | 85 | Confident | 81.3 | Confident | 35 Ų | 35 | 46.5 Ų | 46.5 | 23% | 0.227 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58 | -42.2 | 179.4 | -24.9 | 35.2 | 0 | 0 | 0 | 112.9 | T231 S238 A239 T263 F266 | T231-P235 WeakPolarHBondContact O-CD 3.3Å; T231-P235 WeakPolarHBondContact O-CG 3.36Å; P235-S238 PolarHBondContact O-OG 2.89Å; P235-S238 VanDerWaalsContact O-OG 3.06Å; P235-A239 VanDerWaalsContact O-CB 3.28Å; P235-A239 WeakPolarHBondContact O-CB 3.18Å; P235-A239 PolarHBondContact O-N 3.23Å; P235-T263 HydrophobicContact CB-CG2 4.21Å; P235-T263 WeakPolarHBondContact O-CB 3.24Å; P235-F266 HydrophobicContact CB-CD2 4.5Å; P235-F266 HydrophobicContact CB-CG 4.34Å; P235-F266 HydrophobicContact CG-CB 4.43Å; P235-F266 HydrophobicContact CG-CD1 4.14Å; P235-F266 HydrophobicContact CG-CG 4.2Å |
| 236 | S | 79.3 | Confident | 80.5 | Confident | 6 Ų | 6 | 49.9 Ų | 49.9 | 4% | 0.042 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -66 | -40.7 | -179.7 | 74.2 | 0 | 0 | 0 | 0 | 112.4 | R99 Y233 L234 R240 T263 | R99-S236 PolarHBondContact NH2-OG 3.18Å; Y233-S236 PolarHBondContact O-N 2.66Å; Y233-S236 PolarHBondContact O-OG 3.46Å; L234-S236 VanDerWaalsContact C-N 3.3Å; L234-S236 PolarHBondContact O-N 3.39Å; S236-R240 WeakPolarHBondContact O-CB 3.43Å; S236-R240 PolarHBondContact O-N 3.46Å; S236-R240 VanDerWaalsContact O-N 3.13Å; S236-T263 WeakPolarHBondContact CB-O 3.4Å |
| 237 | V | 79.1 | Confident | 79.5 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -76.7 | -40.9 | -177.7 | 177 | 0 | 0 | 0 | 0 | 110.7 | F181 F185 F186 Y233 L234 R240 L241 | F181-V237 HydrophobicContact CE1-CG2 4.24Å; F185-V237 HydrophobicContact CB-CG1 4.35Å; F185-V237 HydrophobicContact CB-CG2 3.9Å; F185-V237 HydrophobicContact CD1-CB 4.04Å; F185-V237 HydrophobicContact CD1-CG1 3.7Å; F185-V237 HydrophobicContact CD1-CG2 3.99Å; F185-V237 HydrophobicContact CD2-CG2 3.88Å; F185-V237 HydrophobicContact CE1-CB 4.29Å; F185-V237 HydrophobicContact CE1-CG1 4.24Å; F185-V237 HydrophobicContact CE1-CG2 4.48Å; F185-V237 HydrophobicContact CE2-CG2 4.41Å; F185-V237 HydrophobicContact CG-CB 4.22Å; F185-V237 HydrophobicContact CG-CG1 4.13Å; F185-V237 HydrophobicContact CG-CG2 3.63Å; F186-V237 HydrophobicContact CE2-CG1 4.25Å; F186-V237 HydrophobicContact CZ-CG1 4.46Å; Y233-V237 PolarHBondContact O-N 3.21Å; L234-V237 PolarHBondContact O-N 2.9Å; V237-R240 PolarHBondContact O-N 3.44Å; V237-L241 VanDerWaalsContact O-CB 3.31Å; V237-L241 WeakPolarHBondContact O-CB 3.28Å; V237-L241 PolarHBondContact O-N 2.88Å |
| 238 | S | 80.6 | Confident | 78.3 | Confident | 60 Ų | 60 | 51.2 Ų | 51.2 | 42% | 0.42 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.5 | -41.1 | 177.1 | 63.5 | 0 | 0 | 0 | 0 | 111.9 | L234 P235 L241 Y242 | L234-S238 WeakPolarHBondContact O-CB 3.33Å; L234-S238 PolarHBondContact O-N 3.12Å; L234-S238 PolarHBondContact O-OG 2.89Å; P235-S238 PolarHBondContact O-OG 2.89Å; P235-S238 VanDerWaalsContact O-OG 3.06Å; S238-L241 PolarHBondContact O-N 2.93Å; S238-Y242 VanDerWaalsContact O-CB 3.31Å; S238-Y242 WeakPolarHBondContact O-CB 3.44Å; S238-Y242 PolarHBondContact O-N 2.89Å |
| 239 | A | 77.3 | Confident | 77 | Confident | 11 Ų | 11 | 57 Ų | 57 | 9% | 0.091 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.8 | -48.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | P235 L241 Y242 F243 L260 T263 | P235-A239 VanDerWaalsContact O-CB 3.28Å; P235-A239 WeakPolarHBondContact O-CB 3.18Å; P235-A239 PolarHBondContact O-N 3.23Å; A239-L241 VanDerWaalsContact C-N 3.33Å; A239-L241 PolarHBondContact O-N 2.96Å; A239-Y242 PolarHBondContact O-N 3.44Å; A239-F243 HydrophobicContact CB-CD2 4.44Å; A239-F243 HydrophobicContact CB-CE2 4.07Å; A239-F243 WeakPolarHBondContact O-CD2 3.46Å; A239-F243 WeakPolarHBondContact O-CG 3.45Å; A239-F243 PolarHBondContact O-N 3.44Å; A239-L260 HydrophobicContact CB-CD2 4.43Å; A239-T263 HydrophobicContact CB-CG2 3.84Å; A239-T263 WeakPolarHBondContact CB-OG1 3.44Å |
| 240 | R | 75.2 | Confident | 75.4 | Confident | 90 Ų | 90 | 62.2 Ų | 62.2 | 34% | 0.34 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.4 | -40.8 | 178.1 | -170.3 | 174.8 | 173.6 | 145.4 | -1.8 | 112.5 | F181 S236 V237 F243 L244 L260 | F181-R240 VanDerWaalsContact CE1-CD 3.45Å; F181-R240 HydrophobicContact CE1-CG 4.43Å; S236-R240 WeakPolarHBondContact O-CB 3.43Å; S236-R240 PolarHBondContact O-N 3.46Å; S236-R240 VanDerWaalsContact O-N 3.13Å; V237-R240 PolarHBondContact O-N 3.44Å; R240-F243 PolarHBondContact O-N 2.86Å; R240-L244 WeakPolarHBondContact O-CB 3.38Å; R240-L244 PolarHBondContact O-N 2.88Å; R240-L260 HydrophobicContact CB-CD2 4.2Å |
| 241 | L | 77.3 | Confident | 73.9 | Confident | 57 Ų | 57 | 61 Ų | 61 | 30% | 0.298 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62.8 | -49.7 | 174.8 | -174.2 | 68.7 | 0 | 0 | 0 | 110.5 | V237 S238 A239 F243 L244 W245 | V237-L241 VanDerWaalsContact O-CB 3.31Å; V237-L241 WeakPolarHBondContact O-CB 3.28Å; V237-L241 PolarHBondContact O-N 2.88Å; S238-L241 PolarHBondContact O-N 2.93Å; A239-L241 VanDerWaalsContact C-N 3.33Å; A239-L241 PolarHBondContact O-N 2.96Å; L241-F243 VanDerWaalsContact C-N 3.27Å; L241-F243 PolarHBondContact O-N 3.26Å; L241-L244 PolarHBondContact O-N 2.94Å; L241-W245 VanDerWaalsContact CD1-NE1 3.31Å; L241-W245 PolarHBondContact O-N 3.43Å |
| 242 | Y | 77.4 | Confident | 72.8 | Confident | 146 Ų | 146 | 60.9 Ų | 60.9 | 57% | 0.573 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -53.2 | -46.9 | 177.5 | 175.6 | -100 | 0 | 0 | 0 | 111.7 | S238 A239 W245 T246 | S238-Y242 VanDerWaalsContact O-CB 3.31Å; S238-Y242 WeakPolarHBondContact O-CB 3.44Å; S238-Y242 PolarHBondContact O-N 2.89Å; A239-Y242 PolarHBondContact O-N 3.44Å; Y242-W245 PolarHBondContact O-N 2.87Å; Y242-T246 HydrophobicContact CD2-CG2 4.05Å; Y242-T246 HydrophobicContact CE2-CG2 3.77Å; Y242-T246 WeakPolarHBondContact O-CB 3.15Å; Y242-T246 WeakPolarHBondContact O-CG2 3.38Å; Y242-T246 PolarHBondContact O-N 3.4Å; Y242-T246 VanDerWaalsContact O-N 3.07Å; Y242-T246 PolarHBondContact O-OG1 3.18Å |
| 243 | F | 71.6 | Confident | 71.9 | Confident | 26 Ų | 26 | 64.2 Ų | 64.2 | 11% | 0.114 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.8 | -38 | -179.3 | -63.2 | -52.4 | 0 | 0 | 0 | 113.6 | A239 R240 L241 W245 T246 V247 V256 A259 L260 | A239-F243 HydrophobicContact CB-CD2 4.44Å; A239-F243 HydrophobicContact CB-CE2 4.07Å; A239-F243 WeakPolarHBondContact O-CD2 3.46Å; A239-F243 WeakPolarHBondContact O-CG 3.45Å; A239-F243 PolarHBondContact O-N 3.44Å; R240-F243 PolarHBondContact O-N 2.86Å; L241-F243 VanDerWaalsContact C-N 3.27Å; L241-F243 PolarHBondContact O-N 3.26Å; F243-W245 PolarHBondContact O-N 2.87Å; F243-T246 PolarHBondContact O-N 3.46Å; F243-V247 HydrophobicContact CB-CG2 4.42Å; F243-V247 HydrophobicContact CD1-CG2 3.74Å; F243-V247 PolarHBondContact O-N 3.37Å; F243-V256 HydrophobicContact CB-CG1 4.15Å; F243-V256 HydrophobicContact CD1-CB 4.07Å; F243-V256 HydrophobicContact CD1-CG1 3.4Å; F243-V256 VanDerWaalsContact CD1-CG1 3.4Å; F243-V256 HydrophobicContact CD1-CG2 3.81Å; F243-V256 HydrophobicContact CD2-CG1 3.85Å; F243-V256 HydrophobicContact CE1-CB 3.87Å; F243-V256 HydrophobicContact CE1-CG1 3.64Å; F243-V256 HydrophobicContact CE1-CG2 3.6Å; F243-V256 HydrophobicContact CE2-CG1 4.07Å; F243-V256 HydrophobicContact CG-CG1 3.53Å; F243-V256 HydrophobicContact CZ-CB 4.22Å; F243-V256 HydrophobicContact CZ-CG1 3.97Å; F243-V256 HydrophobicContact CZ-CG2 4.38Å; F243-A259 HydrophobicContact CE2-CB 4.02Å; F243-A259 HydrophobicContact CZ-CB 3.76Å; F243-L260 HydrophobicContact CD2-CD1 4.08Å; F243-L260 HydrophobicContact CD2-CD2 3.63Å; F243-L260 HydrophobicContact CD2-CG 3.61Å; F243-L260 HydrophobicContact CE2-CD2 4.01Å; F243-L260 HydrophobicContact CE2-CG 3.75Å |
| 244 | L | 71.6 | Confident | 71 | Confident | 53 Ų | 53 | 67 Ų | 67 | 28% | 0.277 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -57.7 | -33.6 | 174.4 | -175.5 | 67.4 | 0 | 0 | 0 | 112.3 | D178 R240 L241 W249 | D178-L244 HydrophobicContact CB-CD2 3.98Å; D178-L244 WeakPolarHBondContact OD2-CD1 3.28Å; R240-L244 WeakPolarHBondContact O-CB 3.38Å; R240-L244 PolarHBondContact O-N 2.88Å; L241-L244 PolarHBondContact O-N 2.94Å; L244-W249 HydrophobicContact CD1-CH2 3.45Å; L244-W249 VanDerWaalsContact CD1-CH2 3.45Å; L244-W249 HydrophobicContact CD1-CZ2 3.49Å; L244-W249 VanDerWaalsContact CD1-CZ2 3.49Å; L244-W249 HydrophobicContact CD1-CZ3 4.39Å |
| 245 | W | 71.8 | Confident | 70.2 | Confident | 204 Ų | 204 | 67.7 Ų | 67.7 | 77% | 0.773 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -91.3 | -21.2 | -177 | -77 | 80.2 | 0 | 0 | 0 | 114.4 | L241 Y242 F243 | L241-W245 VanDerWaalsContact CD1-NE1 3.31Å; L241-W245 PolarHBondContact O-N 3.43Å; Y242-W245 PolarHBondContact O-N 2.87Å; F243-W245 PolarHBondContact O-N 2.87Å |
| 246 | T | 68.9 | Low | 69.5 | Low | 72 Ų | 72 | 66.5 Ų | 66.5 | 44% | 0.442 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -117.8 | -23.5 | -168.8 | 58.2 | 0 | 0 | 0 | 0 | 114.5 | Y242 F243 | Y242-T246 HydrophobicContact CD2-CG2 4.05Å; Y242-T246 HydrophobicContact CE2-CG2 3.77Å; Y242-T246 WeakPolarHBondContact O-CB 3.15Å; Y242-T246 WeakPolarHBondContact O-CG2 3.38Å; Y242-T246 PolarHBondContact O-N 3.4Å; Y242-T246 VanDerWaalsContact O-N 3.07Å; Y242-T246 PolarHBondContact O-OG1 3.18Å; F243-T246 PolarHBondContact O-N 3.46Å |
| 247 | V | 64.9 | Low | 69 | Low | 28 Ų | 28 | 66.6 Ų | 66.6 | 17% | 0.17 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -110.4 | 122.5 | -173 | -176.9 | 0 | 0 | 0 | 0 | 109.4 | F243 W249 A251 V256 | F243-V247 HydrophobicContact CB-CG2 4.42Å; F243-V247 HydrophobicContact CD1-CG2 3.74Å; F243-V247 PolarHBondContact O-N 3.37Å; V247-W249 PolarHBondContact O-N 3.42Å; V247-A251 HydrophobicContact CG1-CB 3.77Å; V247-V256 HydrophobicContact CG2-CG2 3.88Å |
| 248 | P | 63.5 | Low | 68.7 | Low | 84 Ų | 84 | 67.9 Ų | 67.9 | 55% | 0.545 | 36% | 0.363 | S | S | . | . | trans | -56.5 | 137 | 171 | -21.2 | 31.5 | 0 | 0 | 0 | 110.3 | S250 A251 | P248-S250 PolarHBondContact O-N 3.37Å; P248-A251 PolarHBondContact O-N 3.2Å | ||
| 249 | W | 57.3 | Low | 68.3 | Low | 127 Ų | 127 | 66.7 Ų | 66.7 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.1 | -21.4 | -179.8 | -58.9 | 85.2 | 0 | 0 | 0 | 114.6 | M170 L244 V247 | M170-W249 HydrophobicContact CG-CE3 4.42Å; M170-W249 HydrophobicContact CG-CZ3 4.47Å; L244-W249 HydrophobicContact CD1-CH2 3.45Å; L244-W249 VanDerWaalsContact CD1-CH2 3.45Å; L244-W249 HydrophobicContact CD1-CZ2 3.49Å; L244-W249 VanDerWaalsContact CD1-CZ2 3.49Å; L244-W249 HydrophobicContact CD1-CZ3 4.39Å; V247-W249 PolarHBondContact O-N 3.42Å |
| 250 | S | 52.7 | Low | 68.2 | Low | 109 Ų | 109 | 67.3 Ų | 67.3 | 76% | 0.762 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -6.6 | 179.6 | 54.8 | 0 | 0 | 0 | 0 | 115.2 | P248 C252 | P248-S250 PolarHBondContact O-N 3.37Å; S250-C252 PolarHBondContact O-N 3.28Å |
| 251 | A | 55.8 | Low | 68.2 | Low | 34 Ų | 34 | 63.2 Ų | 63.2 | 28% | 0.281 | 34% | 0.343 | S | S | . | . | trans | -89.1 | 98.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | V247 P248 D253 | V247-A251 HydrophobicContact CG1-CB 3.77Å; P248-A251 PolarHBondContact O-N 3.2Å; A251-D253 PolarHBondContact O-N 3.49Å | ||
| 252 | C | 63.8 | Low | 68.1 | Low | 65 Ų | 65 | 63.4 Ų | 63.4 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | trans | -70.3 | 56.4 | 165.5 | -62.9 | 0 | 0 | 0 | 0 | 111.2 | C7 S250 P254 | C7-C252 HydrophobicContact CB-CB 3.62Å; C7-C252 WeakPolarHBondContact CB-SG 3.4Å; C7-C252 WeakPolarHBondContact SG-CB 3.47Å; C7-C252 CovalentContact SG-SG 2.02Å; C7-C252 PolarHBondContact SG-SG 3.35Å; S250-C252 PolarHBondContact O-N 3.28Å; C252-P254 VanDerWaalsContact O-CD 3.25Å; C252-P254 WeakPolarHBondContact O-CD 3.29Å | ||
| 253 | D | 67.2 | Low | 68.2 | Low | 70 Ų | 70 | 57.6 Ų | 57.6 | 37% | 0.374 | 32% | 0.323 | S | S | . | . | trans | -74.5 | 116.6 | -179.4 | -174.6 | -26.2 | 0 | 0 | 0 | 110.4 | A251 S255 V256 H257 | A251-D253 PolarHBondContact O-N 3.49Å; D253-S255 PolarHBondContact O-N 3.26Å; D253-S255 VanDerWaalsContact O-N 3.13Å; D253-S255 VanDerWaalsContact OD1-CB 3.31Å; D253-S255 WeakPolarHBondContact OD1-CB 3.3Å; D253-S255 PolarHBondContact OD1-N 2.81Å; D253-S255 PolarHBondContact OD1-OG 3.14Å; D253-V256 HydrophobicContact CB-CB 4.18Å; D253-V256 HydrophobicContact CB-CG2 3.76Å; D253-V256 PolarHBondContact O-N 3.39Å; D253-H257 PolarHBondContact O-CD2 2.84Å; D253-H257 VanDerWaalsContact O-CD2 3.23Å; D253-H257 PolarHBondContact O-N 2.91Å | ||
| 254 | P | 66.3 | Low | 68.5 | Low | 60 Ų | 60 | 59.1 Ų | 59.1 | 39% | 0.39 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -51.3 | -38 | 178.8 | -29.3 | 38.3 | 0 | 0 | 0 | 113.8 | I9 C252 H257 V258 | I9-P254 HydrophobicContact CG2-CB 3.9Å; C252-P254 VanDerWaalsContact O-CD 3.25Å; C252-P254 WeakPolarHBondContact O-CD 3.29Å; P254-H257 PolarHBondContact O-N 3.1Å; P254-V258 WeakPolarHBondContact O-CG2 3.1Å; P254-V258 PolarHBondContact O-N 2.65Å |
| 255 | S | 68.7 | Low | 68.9 | Low | 84 Ų | 84 | 56.6 Ų | 56.6 | 59% | 0.587 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -67.7 | -40.7 | -175.4 | -47.6 | 0 | 0 | 0 | 0 | 111.9 | D253 V258 A259 | D253-S255 PolarHBondContact O-N 3.26Å; D253-S255 VanDerWaalsContact O-N 3.13Å; D253-S255 VanDerWaalsContact OD1-CB 3.31Å; D253-S255 WeakPolarHBondContact OD1-CB 3.3Å; D253-S255 PolarHBondContact OD1-N 2.81Å; D253-S255 PolarHBondContact OD1-OG 3.14Å; S255-V258 PolarHBondContact O-N 2.76Å; S255-A259 WeakPolarHBondContact O-CB 3.37Å; S255-A259 PolarHBondContact O-N 3.17Å |
| 256 | V | 68.9 | Low | 69.4 | Low | 10 Ų | 10 | 50.6 Ų | 50.6 | 6% | 0.061 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.9 | -48.6 | 177.6 | 169.7 | 0 | 0 | 0 | 0 | 110.2 | F243 V247 D253 A259 L260 | F243-V256 HydrophobicContact CB-CG1 4.15Å; F243-V256 HydrophobicContact CD1-CB 4.07Å; F243-V256 HydrophobicContact CD1-CG1 3.4Å; F243-V256 VanDerWaalsContact CD1-CG1 3.4Å; F243-V256 HydrophobicContact CD1-CG2 3.81Å; F243-V256 HydrophobicContact CD2-CG1 3.85Å; F243-V256 HydrophobicContact CE1-CB 3.87Å; F243-V256 HydrophobicContact CE1-CG1 3.64Å; F243-V256 HydrophobicContact CE1-CG2 3.6Å; F243-V256 HydrophobicContact CE2-CG1 4.07Å; F243-V256 HydrophobicContact CG-CG1 3.53Å; F243-V256 HydrophobicContact CZ-CB 4.22Å; F243-V256 HydrophobicContact CZ-CG1 3.97Å; F243-V256 HydrophobicContact CZ-CG2 4.38Å; V247-V256 HydrophobicContact CG2-CG2 3.88Å; D253-V256 HydrophobicContact CB-CB 4.18Å; D253-V256 HydrophobicContact CB-CG2 3.76Å; D253-V256 PolarHBondContact O-N 3.39Å; V256-A259 PolarHBondContact O-N 3.04Å; V256-L260 HydrophobicContact CG1-CD1 4.17Å; V256-L260 WeakPolarHBondContact O-CG 3.11Å; V256-L260 PolarHBondContact O-N 3.03Å |
| 257 | H | 69.4 | Low | 70.1 | Confident | 7 Ų | 7 | 47.7 Ų | 47.7 | 3% | 0.032 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -68.7 | -38 | 179.5 | -69.9 | -85.7 | 0 | 0 | 0 | 112.7 | I9 D253 P254 A259 L260 H261 | I9-H257 HydrophobicContact CD1-CB 3.11Å; I9-H257 HydrophobicContact CG1-CB 3.5Å; D253-H257 PolarHBondContact O-CD2 2.84Å; D253-H257 VanDerWaalsContact O-CD2 3.23Å; D253-H257 PolarHBondContact O-N 2.91Å; P254-H257 PolarHBondContact O-N 3.1Å; H257-A259 VanDerWaalsContact C-N 3.33Å; H257-A259 PolarHBondContact O-N 2.92Å; H257-L260 PolarHBondContact O-N 3.2Å; H257-H261 PolarHBondContact O-N 3.01Å; H257-H261 PolarHBondContact O-ND1 3.27Å |
| 258 | V | 71.7 | Confident | 70.9 | Confident | 29 Ų | 29 | 46.7 Ų | 46.7 | 18% | 0.176 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -57.7 | -48.4 | 173.7 | 173.2 | 0 | 0 | 0 | 0 | 110.2 | I9 I14 P254 S255 L260 H261 I262 | I9-V258 HydrophobicContact CG2-CG2 4.29Å; I14-V258 HydrophobicContact CD1-CB 4.22Å; I14-V258 HydrophobicContact CD1-CG2 3.66Å; I14-V258 HydrophobicContact CG1-CB 4.19Å; I14-V258 HydrophobicContact CG1-CG1 4.15Å; I14-V258 HydrophobicContact CG1-CG2 3.7Å; P254-V258 WeakPolarHBondContact O-CG2 3.1Å; P254-V258 PolarHBondContact O-N 2.65Å; S255-V258 PolarHBondContact O-N 2.76Å; V258-L260 VanDerWaalsContact C-N 3.35Å; V258-L260 PolarHBondContact O-N 2.98Å; V258-H261 PolarHBondContact O-N 3.43Å; V258-I262 HydrophobicContact CG1-CD1 3.73Å; V258-I262 HydrophobicContact CG1-CG1 4.42Å; V258-I262 WeakPolarHBondContact O-CG1 3.32Å; V258-I262 PolarHBondContact O-N 3.29Å |
| 259 | A | 73.3 | Confident | 71.9 | Confident | 34 Ų | 34 | 46 Ų | 46 | 28% | 0.281 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.2 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F243 S255 V256 H257 I262 T263 | F243-A259 HydrophobicContact CE2-CB 4.02Å; F243-A259 HydrophobicContact CZ-CB 3.76Å; S255-A259 WeakPolarHBondContact O-CB 3.37Å; S255-A259 PolarHBondContact O-N 3.17Å; V256-A259 PolarHBondContact O-N 3.04Å; H257-A259 VanDerWaalsContact C-N 3.33Å; H257-A259 PolarHBondContact O-N 2.92Å; A259-I262 PolarHBondContact O-N 2.72Å; A259-T263 WeakPolarHBondContact O-CB 3.24Å; A259-T263 VanDerWaalsContact O-CG2 3.29Å; A259-T263 WeakPolarHBondContact O-CG2 3.36Å; A259-T263 PolarHBondContact O-N 3.11Å; A259-T263 PolarHBondContact O-OG1 2Å |
| 260 | L | 74.4 | Confident | 73.3 | Confident | 25 Ų | 25 | 39.9 Ų | 39.9 | 13% | 0.131 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.3 | -43.5 | 174.5 | -77.7 | 171.6 | 0 | 0 | 0 | 112.6 | A239 R240 F243 V256 H257 V258 T263 L264 | A239-L260 HydrophobicContact CB-CD2 4.43Å; R240-L260 HydrophobicContact CB-CD2 4.2Å; F243-L260 HydrophobicContact CD2-CD1 4.08Å; F243-L260 HydrophobicContact CD2-CD2 3.63Å; F243-L260 HydrophobicContact CD2-CG 3.61Å; F243-L260 HydrophobicContact CE2-CD2 4.01Å; F243-L260 HydrophobicContact CE2-CG 3.75Å; V256-L260 HydrophobicContact CG1-CD1 4.17Å; V256-L260 WeakPolarHBondContact O-CG 3.11Å; V256-L260 PolarHBondContact O-N 3.03Å; H257-L260 PolarHBondContact O-N 3.2Å; V258-L260 VanDerWaalsContact C-N 3.35Å; V258-L260 PolarHBondContact O-N 2.98Å; L260-T263 PolarHBondContact O-OG1 3.34Å; L260-T263 VanDerWaalsContact O-OG1 3.14Å; L260-L264 WeakPolarHBondContact O-CB 3.45Å; L260-L264 PolarHBondContact O-N 2.84Å |
| 261 | H | 75.6 | Confident | 74.9 | Confident | 3 Ų | 3 | 34.7 Ų | 34.7 | 1% | 0.014 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -68.4 | -42.1 | 178.1 | -72.9 | 85.7 | 0 | 0 | 0 | 112 | I14 M18 E166 F168 H257 V258 L264 S265 | I14-H261 HydrophobicContact CD1-CB 4.47Å; I14-H261 HydrophobicContact CG2-CB 4.48Å; M18-H261 VanDerWaalsContact CE-C 3.49Å; M18-H261 HydrophobicContact CE-CB 3.84Å; M18-H261 WeakPolarHBondContact CE-O 3.1Å; E166-H261 IonicContact OE1-NE2 3.22Å; F168-H261 AromaticContact CE2-CE1 3.21Å; F168-H261 WeakPolarHBondContact CE2-CE1 3.46Å; F168-H261 AromaticContact CE2-NE2 3.3Å; F168-H261 VanDerWaalsContact CE2-NE2 3.3Å; F168-H261 WeakPolarHBondContact CE2-NE2 3.42Å; F168-H261 AromaticContact CZ-CE1 3.03Å; F168-H261 WeakPolarHBondContact CZ-CE1 3.47Å; F168-H261 AromaticContact CZ-ND1 3.66Å; F168-H261 AromaticContact CZ-NE2 3.35Å; F168-H261 WeakPolarHBondContact CZ-NE2 3.4Å; H257-H261 PolarHBondContact O-N 3.01Å; H257-H261 PolarHBondContact O-ND1 3.27Å; V258-H261 PolarHBondContact O-N 3.43Å; H261-L264 PolarHBondContact O-N 3.27Å; H261-S265 PolarHBondContact O-N 3.14Å; H261-S265 PolarHBondContact O-OG 3.25Å |
| 262 | I | 75.8 | Confident | 76.3 | Confident | 62 Ų | 62 | 34.7 Ų | 34.7 | 32% | 0.318 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -60.4 | -49 | 176.3 | -69.6 | 172.3 | 0 | 0 | 0 | 109.9 | M18 V258 A259 S265 F266 | M18-I262 HydrophobicContact CE-CB 4.43Å; M18-I262 HydrophobicContact CE-CG1 3.86Å; V258-I262 HydrophobicContact CG1-CD1 3.73Å; V258-I262 HydrophobicContact CG1-CG1 4.42Å; V258-I262 WeakPolarHBondContact O-CG1 3.32Å; V258-I262 PolarHBondContact O-N 3.29Å; A259-I262 PolarHBondContact O-N 2.72Å; I262-S265 VanDerWaalsContact O-CB 3.24Å; I262-S265 WeakPolarHBondContact O-CB 3.46Å; I262-S265 PolarHBondContact O-N 3Å; I262-F266 HydrophobicContact CG2-CE2 4.44Å; I262-F266 WeakPolarHBondContact O-CD2 3.27Å |
| 263 | T | 79.6 | Confident | 77.4 | Confident | 23 Ų | 23 | 33.8 Ų | 33.8 | 14% | 0.141 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -70 | -33.4 | -179.4 | 56.2 | 0 | 0 | 0 | 0 | 112.8 | P235 S236 A239 A259 L260 S265 F266 | P235-T263 HydrophobicContact CB-CG2 4.21Å; P235-T263 WeakPolarHBondContact O-CB 3.24Å; S236-T263 WeakPolarHBondContact CB-O 3.4Å; A239-T263 HydrophobicContact CB-CG2 3.84Å; A239-T263 WeakPolarHBondContact CB-OG1 3.44Å; A259-T263 WeakPolarHBondContact O-CB 3.24Å; A259-T263 VanDerWaalsContact O-CG2 3.29Å; A259-T263 WeakPolarHBondContact O-CG2 3.36Å; A259-T263 PolarHBondContact O-N 3.11Å; A259-T263 PolarHBondContact O-OG1 2Å; L260-T263 PolarHBondContact O-OG1 3.34Å; L260-T263 VanDerWaalsContact O-OG1 3.14Å; T263-S265 PolarHBondContact O-N 3.02Å; T263-F266 WeakPolarHBondContact O-CB 2.71Å; T263-F266 PolarHBondContact O-N 2.74Å |
| 264 | L | 78.4 | Confident | 78.3 | Confident | 58 Ų | 58 | 30.5 Ų | 30.5 | 30% | 0.304 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -61.9 | -31.1 | 169.1 | -173.1 | 66.5 | 0 | 0 | 0 | 111.3 | L260 H261 F266 T267 | L260-L264 WeakPolarHBondContact O-CB 3.45Å; L260-L264 PolarHBondContact O-N 2.84Å; H261-L264 PolarHBondContact O-N 3.27Å; L264-F266 PolarHBondContact O-N 3.13Å; L264-T267 HydrophobicContact CD1-CG2 4.31Å; L264-T267 WeakPolarHBondContact O-CB 3.35Å; L264-T267 WeakPolarHBondContact O-CG2 3.03Å; L264-T267 PolarHBondContact O-N 3.32Å; L264-T267 PolarHBondContact O-OG1 3.27Å |
| 265 | S | 79.3 | Confident | 79.2 | Confident | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -67.3 | -23 | 179.7 | -57.8 | 0 | 0 | 0 | 0 | 114.2 | M18 H261 I262 T263 T267 Y268 | M18-S265 WeakPolarHBondContact CE-OG 3.29Å; M18-S265 PolarHBondContact SD-OG 3.18Å; H261-S265 PolarHBondContact O-N 3.14Å; H261-S265 PolarHBondContact O-OG 3.25Å; I262-S265 VanDerWaalsContact O-CB 3.24Å; I262-S265 WeakPolarHBondContact O-CB 3.46Å; I262-S265 PolarHBondContact O-N 3Å; T263-S265 PolarHBondContact O-N 3.02Å; S265-T267 PolarHBondContact O-N 2.86Å; S265-Y268 VanDerWaalsContact CA-CD2 3.42Å; S265-Y268 WeakPolarHBondContact O-CB 3.18Å; S265-Y268 WeakPolarHBondContact O-CD2 3.41Å; S265-Y268 PolarHBondContact O-N 2.86Å; S265-Y268 VanDerWaalsContact O-N 3.13Å |
| 266 | F | 81.2 | Confident | 79.8 | Confident | 77 Ų | 77 | 28.5 Ų | 28.5 | 34% | 0.338 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -63.5 | -24.7 | 170.6 | -79 | -103.4 | 0 | 0 | 0 | 112.2 | C232 P235 I262 T263 L264 Y268 M269 | C232-F266 WeakPolarHBondContact CA-O 2.98Å; C232-F266 WeakPolarHBondContact CB-O 3.21Å; C232-F266 CarbonylContact O-C 3.16Å; C232-F266 WeakPolarHBondContact O-CB 3.37Å; P235-F266 HydrophobicContact CB-CD2 4.5Å; P235-F266 HydrophobicContact CB-CG 4.34Å; P235-F266 HydrophobicContact CG-CB 4.43Å; P235-F266 HydrophobicContact CG-CD1 4.14Å; P235-F266 HydrophobicContact CG-CG 4.2Å; I262-F266 HydrophobicContact CG2-CE2 4.44Å; I262-F266 WeakPolarHBondContact O-CD2 3.27Å; T263-F266 WeakPolarHBondContact O-CB 2.71Å; T263-F266 PolarHBondContact O-N 2.74Å; L264-F266 PolarHBondContact O-N 3.13Å; F266-Y268 VanDerWaalsContact C-N 3.27Å; F266-Y268 PolarHBondContact O-N 2.85Å; F266-M269 HydrophobicContact CD1-SD 3.8Å; F266-M269 HydrophobicContact CE1-SD 4.14Å; F266-M269 HydrophobicContact CG-SD 4.36Å; F266-M269 VanDerWaalsContact O-CB 3.25Å; F266-M269 WeakPolarHBondContact O-CB 3.3Å; F266-M269 PolarHBondContact O-N 2.91Å |
| 267 | T | 83.6 | Confident | 80.6 | Confident | 11 Ų | 11 | 28 Ų | 28 | 7% | 0.067 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.9 | -31.3 | 175.4 | 69.1 | 0 | 0 | 0 | 0 | 111.7 | C232 Y233 L264 S265 M269 N270 | C232-T267 PolarHBondContact O-N 3.21Å; Y233-T267 HydrophobicContact CD1-CG2 4.04Å; Y233-T267 HydrophobicContact CE1-CG2 4.4Å; L264-T267 HydrophobicContact CD1-CG2 4.31Å; L264-T267 WeakPolarHBondContact O-CB 3.35Å; L264-T267 WeakPolarHBondContact O-CG2 3.03Å; L264-T267 PolarHBondContact O-N 3.32Å; L264-T267 PolarHBondContact O-OG1 3.27Å; S265-T267 PolarHBondContact O-N 2.86Å; T267-M269 PolarHBondContact O-N 3.34Å; T267-N270 WeakPolarHBondContact O-CB 3.39Å; T267-N270 PolarHBondContact O-N 3.02Å; T267-N270 VanDerWaalsContact O-N 3.07Å |
| 268 | Y | 83.3 | Confident | 81.2 | Confident | 8 Ų | 8 | 27.7 Ų | 27.7 | 3% | 0.031 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -64.9 | -27.2 | 172.6 | -52.7 | -54.4 | 0 | 0 | 0 | 112.2 | L21 L22 L64 L68 L95 S265 F266 N270 S271 | L21-Y268 HydrophobicContact CD2-CD2 4.13Å; L22-Y268 HydrophobicContact CD2-CD2 3.49Å; L22-Y268 VanDerWaalsContact CD2-CD2 3.49Å; L22-Y268 HydrophobicContact CD2-CE2 3.47Å; L22-Y268 VanDerWaalsContact CD2-CE2 3.47Å; L22-Y268 HydrophobicContact CD2-CG 4.15Å; L64-Y268 HydrophobicContact CD2-CD1 4.23Å; L68-Y268 HydrophobicContact CD2-CD1 4.16Å; L68-Y268 HydrophobicContact CD2-CE1 4.23Å; L95-Y268 HydrophobicContact CD2-CE1 3.95Å; L95-Y268 VanDerWaalsContact CD2-OH 3.3Å; L95-Y268 WeakPolarHBondContact CD2-OH 3.39Å; L95-Y268 HydrophobicContact CG-CE1 4.14Å; S265-Y268 VanDerWaalsContact CA-CD2 3.42Å; S265-Y268 WeakPolarHBondContact O-CB 3.18Å; S265-Y268 WeakPolarHBondContact O-CD2 3.41Å; S265-Y268 PolarHBondContact O-N 2.86Å; S265-Y268 VanDerWaalsContact O-N 3.13Å; F266-Y268 VanDerWaalsContact C-N 3.27Å; F266-Y268 PolarHBondContact O-N 2.85Å; Y268-N270 PolarHBondContact O-N 3.16Å; Y268-S271 PolarHBondContact O-N 3.3Å |
| 269 | M | 82.9 | Confident | 81.7 | Confident | 68 Ų | 68 | 30.4 Ų | 30.4 | 34% | 0.335 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -65.8 | -23.2 | 175.6 | -58.1 | -175.1 | 73.7 | 0 | 0 | 112.2 | F266 T267 S271 M272 L273 | F266-M269 HydrophobicContact CD1-SD 3.8Å; F266-M269 HydrophobicContact CE1-SD 4.14Å; F266-M269 HydrophobicContact CG-SD 4.36Å; F266-M269 VanDerWaalsContact O-CB 3.25Å; F266-M269 WeakPolarHBondContact O-CB 3.3Å; F266-M269 PolarHBondContact O-N 2.91Å; T267-M269 PolarHBondContact O-N 3.34Å; M269-S271 PolarHBondContact O-N 2.93Å; M269-M272 HydrophobicContact CB-SD 4.32Å; M269-M272 HydrophobicContact CG-SD 4.14Å; M269-M272 WeakPolarHBondContact O-CB 3.43Å; M269-M272 PolarHBondContact O-N 3.21Å; M269-M272 VanDerWaalsContact O-N 3.13Å; M269-L273 WeakPolarHBondContact O-CB 3.36Å; M269-L273 VanDerWaalsContact O-CG 3.28Å; M269-L273 WeakPolarHBondContact O-CG 3.31Å; M269-L273 PolarHBondContact O-N 2.86Å |
| 270 | N | 86.9 | Confident | 81.9 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -56.3 | -54.5 | 176 | -178.4 | 81.4 | 0 | 0 | 0 | 110.3 | S102 C232 Y233 T267 Y268 M272 L273 D274 | S102-N270 VanDerWaalsContact CB-ND2 3.31Å; S102-N270 WeakPolarHBondContact CB-ND2 3.47Å; C232-N270 HydrophobicContact CB-CB 3.8Å; C232-N270 VanDerWaalsContact SG-CA 3.51Å; C232-N270 PolarHBondContact SG-N 2.94Å; Y233-N270 HydrophobicContact CE2-CB 4.08Å; Y233-N270 VanDerWaalsContact CE2-OD1 3.3Å; Y233-N270 WeakPolarHBondContact CE2-OD1 2.98Å; Y233-N270 PolarHBondContact OH-ND2 3.27Å; Y233-N270 PolarHBondContact OH-OD1 3.45Å; T267-N270 WeakPolarHBondContact O-CB 3.39Å; T267-N270 PolarHBondContact O-N 3.02Å; T267-N270 VanDerWaalsContact O-N 3.07Å; Y268-N270 PolarHBondContact O-N 3.16Å; N270-M272 PolarHBondContact O-N 3.24Å; N270-L273 PolarHBondContact O-N 2.68Å; N270-D274 PolarHBondContact ND2-OD2 3.16Å; N270-D274 VanDerWaalsContact O-CG 3.28Å; N270-D274 PolarHBondContact O-N 2.76Å; N270-D274 VanDerWaalsContact O-OD2 3.1Å |
| 271 | S | 86.6 | Confident | 81.8 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -62.6 | -26.1 | 178.6 | -56.7 | 0 | 0 | 0 | 0 | 113.2 | N33 D61 Y268 M269 | N33-S271 PolarHBondContact ND2-O 2.87Å; D61-S271 VanDerWaalsContact OD1-CB 3.29Å; D61-S271 WeakPolarHBondContact OD1-CB 3.04Å; D61-S271 PolarHBondContact OD1-OG 3.39Å; Y268-S271 PolarHBondContact O-N 3.3Å; M269-S271 PolarHBondContact O-N 2.93Å |
| 272 | M | 86.3 | Confident | 81.4 | Confident | 34 Ų | 34 | 30.9 Ų | 30.9 | 17% | 0.167 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -75 | -29.4 | 174.2 | -58.1 | 166 | 66.7 | 0 | 0 | 112.7 | V24 A25 L28 M269 N270 P275 | V24-M272 HydrophobicContact CG1-CE 3.77Å; A25-M272 VanDerWaalsContact CA-SD 3.51Å; A25-M272 HydrophobicContact CB-CG 4.07Å; A25-M272 HydrophobicContact CB-SD 3.63Å; L28-M272 HydrophobicContact CB-CE 4.12Å; L28-M272 HydrophobicContact CD1-CE 3.56Å; L28-M272 HydrophobicContact CG-CE 4.32Å; M269-M272 HydrophobicContact CB-SD 4.32Å; M269-M272 HydrophobicContact CG-SD 4.14Å; M269-M272 WeakPolarHBondContact O-CB 3.43Å; M269-M272 PolarHBondContact O-N 3.21Å; M269-M272 VanDerWaalsContact O-N 3.13Å; N270-M272 PolarHBondContact O-N 3.24Å; M272-P275 WeakPolarHBondContact O-CD 3.35Å |
| 273 | L | 86.1 | Confident | 80.8 | Confident | 46 Ų | 46 | 32 Ų | 32 | 24% | 0.241 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -96.7 | -16.7 | -174.9 | -66.2 | 174.2 | 0 | 0 | 0 | 113.1 | V228 M269 N270 P275 L276 | V228-L273 HydrophobicContact CG1-CB 3.85Å; V228-L273 HydrophobicContact CG1-CD1 4.3Å; V228-L273 HydrophobicContact CG2-CB 3.86Å; V228-L273 HydrophobicContact CG2-CD1 4.21Å; M269-L273 WeakPolarHBondContact O-CB 3.36Å; M269-L273 VanDerWaalsContact O-CG 3.28Å; M269-L273 WeakPolarHBondContact O-CG 3.31Å; M269-L273 PolarHBondContact O-N 2.86Å; N270-L273 PolarHBondContact O-N 2.68Å; L273-P275 VanDerWaalsContact C-N 3.29Å; L273-L276 HydrophobicContact CD2-CD1 3.88Å; L273-L276 VanDerWaalsContact O-CB 3.22Å; L273-L276 WeakPolarHBondContact O-CB 3.17Å; L273-L276 PolarHBondContact O-N 3.48Å |
| 274 | D | 87 | Confident | 80 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -55 | -31.3 | 174.4 | -76 | -38.3 | 0 | 0 | 0 | 114.9 | D61 N270 L276 V277 Y278 | D61-D274 VanDerWaalsContact OD2-OD2 3.04Å; N270-D274 PolarHBondContact ND2-OD2 3.16Å; N270-D274 VanDerWaalsContact O-CG 3.28Å; N270-D274 PolarHBondContact O-N 2.76Å; N270-D274 VanDerWaalsContact O-OD2 3.1Å; D274-L276 PolarHBondContact O-N 3.24Å; D274-L276 VanDerWaalsContact O-N 3.17Å; D274-V277 WeakPolarHBondContact O-CA 3.47Å; D274-V277 VanDerWaalsContact O-CB 3.25Å; D274-V277 WeakPolarHBondContact O-CB 3.22Å; D274-V277 PolarHBondContact O-N 3.48Å; D274-Y278 HydrophobicContact CB-CE2 3.92Å; D274-Y278 WeakPolarHBondContact O-CD2 3.33Å; D274-Y278 WeakPolarHBondContact O-CE2 3.29Å; D274-Y278 PolarHBondContact O-N 2.96Å |
| 275 | P | 84.3 | Confident | 79.6 | Confident | 22 Ų | 22 | 30.6 Ų | 30.6 | 14% | 0.143 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -52 | -34.3 | 166.2 | -29.9 | 36.9 | 0 | 0 | 0 | 115.2 | M272 L273 Y278 Y279 | M272-P275 WeakPolarHBondContact O-CD 3.35Å; L273-P275 VanDerWaalsContact C-N 3.29Å; P275-Y278 PolarHBondContact O-N 3.27Å; P275-Y279 WeakPolarHBondContact O-CB 3.36Å; P275-Y279 PolarHBondContact O-N 2.73Å |
| 276 | L | 82.4 | Confident | 79.1 | Confident | 81 Ų | 81 | 31.5 Ų | 31.5 | 42% | 0.424 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -68.2 | -41.2 | 174.3 | -59.2 | 175 | 0 | 0 | 0 | 110.8 | V224 L273 D274 Y278 Y279 F280 | V224-L276 HydrophobicContact CG1-CB 4.22Å; L273-L276 HydrophobicContact CD2-CD1 3.88Å; L273-L276 VanDerWaalsContact O-CB 3.22Å; L273-L276 WeakPolarHBondContact O-CB 3.17Å; L273-L276 PolarHBondContact O-N 3.48Å; D274-L276 PolarHBondContact O-N 3.24Å; D274-L276 VanDerWaalsContact O-N 3.17Å; L276-Y278 VanDerWaalsContact C-N 3.35Å; L276-Y278 PolarHBondContact O-N 2.78Å; L276-Y279 PolarHBondContact O-N 2.95Å; L276-F280 WeakPolarHBondContact O-CD2 3.47Å; L276-F280 PolarHBondContact O-N 3.44Å |
| 277 | V | 83.8 | Confident | 78.5 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -58.5 | -48.6 | 175 | -179.4 | 0 | 0 | 0 | 0 | 109.2 | L54 L106 F221 V224 V225 D274 Y279 F280 S281 | L54-V277 HydrophobicContact CD2-CG1 3.95Å; L106-V277 HydrophobicContact CD2-CG1 4.19Å; L106-V277 HydrophobicContact CD2-CG2 4.48Å; F221-V277 HydrophobicContact CD2-CG1 4.5Å; F221-V277 HydrophobicContact CE2-CB 4.38Å; F221-V277 HydrophobicContact CE2-CG1 3.44Å; F221-V277 VanDerWaalsContact CE2-CG1 3.44Å; F221-V277 WeakPolarHBondContact CE2-O 3.42Å; F221-V277 HydrophobicContact CZ-CG1 3.83Å; V224-V277 HydrophobicContact CG1-CG2 4.32Å; V225-V277 HydrophobicContact CG2-CG1 3.82Å; V225-V277 HydrophobicContact CG2-CG2 4.22Å; D274-V277 WeakPolarHBondContact O-CA 3.47Å; D274-V277 VanDerWaalsContact O-CB 3.25Å; D274-V277 WeakPolarHBondContact O-CB 3.22Å; D274-V277 PolarHBondContact O-N 3.48Å; V277-Y279 PolarHBondContact O-N 3.25Å; V277-F280 PolarHBondContact O-N 2.94Å; V277-S281 VanDerWaalsContact O-CB 3.29Å; V277-S281 WeakPolarHBondContact O-CB 3.08Å; V277-S281 PolarHBondContact O-N 2.02Å |
| 278 | Y | 83.8 | Confident | 78.1 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.6 | -44.6 | 177.2 | -50.8 | -40.8 | 0 | 0 | 0 | 112.7 | N33 A36 F40 L54 L57 A58 D61 D274 P275 L276 F280 S281 F285 | N33-Y278 WeakPolarHBondContact OD1-CE2 3.43Å; A36-Y278 HydrophobicContact CB-CD2 3.47Å; A36-Y278 VanDerWaalsContact CB-CD2 3.47Å; A36-Y278 HydrophobicContact CB-CE2 3.9Å; A36-Y278 HydrophobicContact CB-CG 4.26Å; F40-Y278 HydrophobicContact CE2-CD1 4.36Å; F40-Y278 HydrophobicContact CZ-CD1 4.15Å; L54-Y278 HydrophobicContact CB-CD1 4.05Å; L54-Y278 HydrophobicContact CB-CE1 4.07Å; L54-Y278 HydrophobicContact CD2-CD1 3.95Å; L54-Y278 HydrophobicContact CD2-CE1 3.94Å; L54-Y278 HydrophobicContact CG-CD1 4.44Å; L54-Y278 WeakPolarHBondContact O-CE1 3.32Å; L57-Y278 HydrophobicContact CB-CE1 4.49Å; L57-Y278 HydrophobicContact CD2-CE1 4.05Å; L57-Y278 HydrophobicContact CG-CE1 4.44Å; L57-Y278 WeakPolarHBondContact CG-OH 3.38Å; A58-Y278 VanDerWaalsContact CA-OH 3.23Å; A58-Y278 WeakPolarHBondContact CA-OH 3.41Å; A58-Y278 HydrophobicContact CB-CE1 4.43Å; A58-Y278 HydrophobicContact CB-CE2 4.12Å; A58-Y278 PolarHBondContact N-OH 2.86Å; A58-Y278 VanDerWaalsContact N-OH 3.08Å; D61-Y278 PolarHBondContact OD2-OH 3.45Å; D274-Y278 HydrophobicContact CB-CE2 3.92Å; D274-Y278 WeakPolarHBondContact O-CD2 3.33Å; D274-Y278 WeakPolarHBondContact O-CE2 3.29Å; D274-Y278 PolarHBondContact O-N 2.96Å; P275-Y278 PolarHBondContact O-N 3.27Å; L276-Y278 VanDerWaalsContact C-N 3.35Å; L276-Y278 PolarHBondContact O-N 2.78Å; Y278-F280 PolarHBondContact O-N 2.96Å; Y278-S281 PolarHBondContact O-N 2.89Å; Y278-F285 WeakPolarHBondContact O-CD2 3.41Å |
| 279 | Y | 80.3 | Confident | 77.6 | Confident | 86 Ų | 86 | 37.6 Ų | 37.6 | 34% | 0.337 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -59.2 | -44.3 | 178.8 | -178.9 | -93.7 | 0 | 0 | 0 | 112.3 | P275 L276 V277 P286 Y289 | P275-Y279 WeakPolarHBondContact O-CB 3.36Å; P275-Y279 PolarHBondContact O-N 2.73Å; L276-Y279 PolarHBondContact O-N 2.95Å; V277-Y279 PolarHBondContact O-N 3.25Å; Y279-P286 HydrophobicContact CD2-CB 4.22Å; Y279-P286 HydrophobicContact CD2-CG 3.92Å; Y279-P286 HydrophobicContact CE1-CG 4.29Å; Y279-P286 HydrophobicContact CE2-CB 3.56Å; Y279-P286 HydrophobicContact CE2-CG 3.66Å; Y279-P286 HydrophobicContact CG-CG 4.33Å; Y279-P286 WeakPolarHBondContact O-CG 3.4Å; Y279-Y289 AromaticContact CD2-CD2 3.99Å; Y279-Y289 HydrophobicContact CD2-CD2 3.99Å |
| 280 | F | 78.1 | Confident | 77.1 | Confident | 43 Ų | 43 | 38.3 Ų | 38.3 | 19% | 0.189 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -80 | -20.3 | 179.9 | -69.2 | -62.4 | 0 | 0 | 0 | 113.6 | K217 R220 F221 V224 L276 V277 Y278 | K217-F280 WeakPolarHBondContact CE-O 3.48Å; R220-F280 VanDerWaalsContact CD-CE1 3.41Å; R220-F280 HydrophobicContact CG-CD1 4.28Å; R220-F280 HydrophobicContact CG-CE1 4.28Å; F221-F280 HydrophobicContact CB-CB 4.08Å; F221-F280 HydrophobicContact CD2-CB 3.88Å; V224-F280 HydrophobicContact CB-CD2 4.41Å; V224-F280 HydrophobicContact CG1-CD2 4.29Å; V224-F280 HydrophobicContact CG2-CD2 3.86Å; V224-F280 HydrophobicContact CG2-CE2 4.02Å; L276-F280 WeakPolarHBondContact O-CD2 3.47Å; L276-F280 PolarHBondContact O-N 3.44Å; V277-F280 PolarHBondContact O-N 2.94Å; Y278-F280 PolarHBondContact O-N 2.96Å |
| 281 | S | 73.1 | Confident | 76.4 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 8% | 0.084 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70 | -40.2 | -176.3 | -178.2 | 0 | 0 | 0 | 0 | 114.5 | L54 R113 V277 Y278 | L54-S281 VanDerWaalsContact CD1-CB 3.44Å; L54-S281 WeakPolarHBondContact CD1-OG 3.23Å; R113-S281 PolarHBondContact NH2-O 3.35Å; R113-S281 PolarHBondContact NH2-OG 3.23Å; V277-S281 VanDerWaalsContact O-CB 3.29Å; V277-S281 WeakPolarHBondContact O-CB 3.08Å; V277-S281 PolarHBondContact O-N 2.02Å; Y278-S281 PolarHBondContact O-N 2.89Å |
| 282 | S | 66.6 | Low | 75.6 | Confident | 17 Ų | 17 | 47.6 Ų | 47.6 | 12% | 0.119 | 24% | 0.24 | C | C | . | . | trans | -126.7 | 146 | -175.1 | -171.7 | 0 | 0 | 0 | 0 | 112.1 | K217 S284 P286 | K217-S282 VanDerWaalsContact NZ-C 3.27Å; K217-S282 PolarHBondContact NZ-O 3.4Å; S282-S284 PolarHBondContact O-N 2.97Å; S282-S284 PolarHBondContact OG-N 3.24Å; S282-S284 PolarHBondContact OG-OG 3.39Å; S282-P286 WeakPolarHBondContact O-CD 3.28Å | ||
| 283 | P | 62.7 | Low | 74.7 | Confident | 84 Ų | 84 | 52.9 Ų | 52.9 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -68.1 | -16.4 | 166.1 | 27.5 | -32.8 | 0 | 0 | 0 | 113.3 | ||
| 284 | S | 64 | Low | 73.6 | Confident | 48 Ų | 48 | 55.8 Ų | 55.8 | 34% | 0.336 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -75.8 | -33.5 | 179.7 | -52.5 | 0 | 0 | 0 | 0 | 113.1 | S282 K287 F288 | S282-S284 PolarHBondContact O-N 2.97Å; S282-S284 PolarHBondContact OG-N 3.24Å; S282-S284 PolarHBondContact OG-OG 3.39Å; S284-K287 PolarHBondContact O-N 2.97Å; S284-F288 PolarHBondContact O-N 3.45Å; S284-F288 VanDerWaalsContact O-N 3.1Å |
| 285 | F | 68.8 | Low | 72.3 | Confident | 5 Ų | 5 | 59.9 Ų | 59.9 | 2% | 0.022 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67 | -49.5 | -177.9 | -83.6 | -66.8 | 0 | 0 | 0 | 113.5 | F40 M44 Y278 K287 F288 Y289 | F40-F285 HydrophobicContact CD1-CE2 4.09Å; F40-F285 AromaticContact CD1-CZ 3.49Å; F40-F285 HydrophobicContact CD1-CZ 3.49Å; F40-F285 VanDerWaalsContact CD1-CZ 3.49Å; F40-F285 HydrophobicContact CD2-CZ 4.04Å; F40-F285 HydrophobicContact CE1-CE1 4.46Å; F40-F285 AromaticContact CE1-CE2 3.45Å; F40-F285 HydrophobicContact CE1-CE2 3.45Å; F40-F285 VanDerWaalsContact CE1-CE2 3.45Å; F40-F285 AromaticContact CE1-CZ 3.23Å; F40-F285 HydrophobicContact CE1-CZ 3.23Å; F40-F285 HydrophobicContact CE2-CE1 4.45Å; F40-F285 HydrophobicContact CE2-CE2 4.5Å; F40-F285 AromaticContact CE2-CZ 3.8Å; F40-F285 HydrophobicContact CE2-CZ 3.8Å; F40-F285 AromaticContact CG-CZ 3.87Å; F40-F285 HydrophobicContact CG-CZ 3.87Å; F40-F285 HydrophobicContact CZ-CE1 4.37Å; F40-F285 AromaticContact CZ-CE2 3.67Å; F40-F285 HydrophobicContact CZ-CE2 3.67Å; F40-F285 AromaticContact CZ-CZ 3.37Å; F40-F285 HydrophobicContact CZ-CZ 3.37Å; M44-F285 HydrophobicContact CE-CE2 4.3Å; M44-F285 HydrophobicContact CG-CZ 4.42Å; M44-F285 HydrophobicContact SD-CE2 4.44Å; Y278-F285 WeakPolarHBondContact O-CD2 3.41Å; F285-K287 PolarHBondContact O-N 3.22Å; F285-F288 WeakPolarHBondContact O-CB 3.4Å; F285-F288 PolarHBondContact O-N 3.26Å; F285-Y289 HydrophobicContact CB-CD2 4.25Å; F285-Y289 HydrophobicContact CB-CE2 4.2Å; F285-Y289 HydrophobicContact CD1-CE2 4.06Å; F285-Y289 WeakPolarHBondContact O-CD2 3.07Å; F285-Y289 PolarHBondContact O-N 3.18Å |
| 286 | P | 69.7 | Low | 71.1 | Confident | 20 Ų | 20 | 63.8 Ų | 63.8 | 13% | 0.13 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56.4 | -37 | 176 | -27.5 | 35 | 0 | 0 | 0 | 113.3 | Y279 S282 N290 | Y279-P286 HydrophobicContact CD2-CB 4.22Å; Y279-P286 HydrophobicContact CD2-CG 3.92Å; Y279-P286 HydrophobicContact CE1-CG 4.29Å; Y279-P286 HydrophobicContact CE2-CB 3.56Å; Y279-P286 HydrophobicContact CE2-CG 3.66Å; Y279-P286 HydrophobicContact CG-CG 4.33Å; Y279-P286 WeakPolarHBondContact O-CG 3.4Å; S282-P286 WeakPolarHBondContact O-CD 3.28Å; P286-N290 VanDerWaalsContact O-CB 3.28Å; P286-N290 WeakPolarHBondContact O-CB 2.9Å; P286-N290 PolarHBondContact O-N 3.05Å; P286-N290 PolarHBondContact O-ND2 3.06Å |
| 287 | K | 69.1 | Low | 69.8 | Low | 155 Ų | 155 | 66.7 Ų | 66.7 | 67% | 0.674 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -65.4 | -41.7 | 175.6 | -66.3 | -177.4 | -179.8 | -173.7 | 0 | 111.8 | S284 F285 K291 | S284-K287 PolarHBondContact O-N 2.97Å; F285-K287 PolarHBondContact O-N 3.22Å; K287-K291 WeakPolarHBondContact O-CB 3.27Å; K287-K291 PolarHBondContact O-N 3.4Å |
| 288 | F | 74.6 | Confident | 68 | Low | 25 Ų | 25 | 74.2 Ų | 74.2 | 11% | 0.11 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.1 | -49.1 | 175.6 | 175.5 | -110.9 | 0 | 0 | 0 | 112.1 | V35 G39 H43 S284 F285 N290 K291 L292 | V35-F288 HydrophobicContact CG1-CE1 3.94Å; G39-F288 VanDerWaalsContact CA-CE1 3.45Å; H43-F288 HydrophobicContact CB-CD2 3.74Å; H43-F288 HydrophobicContact CB-CE2 3.98Å; H43-F288 HydrophobicContact CB-CG 4.37Å; H43-F288 AromaticContact CD2-CD2 3.52Å; H43-F288 AromaticContact CG-CD2 3.55Å; S284-F288 PolarHBondContact O-N 3.45Å; S284-F288 VanDerWaalsContact O-N 3.1Å; F285-F288 WeakPolarHBondContact O-CB 3.4Å; F285-F288 PolarHBondContact O-N 3.26Å; F288-N290 VanDerWaalsContact C-N 3.33Å; F288-N290 PolarHBondContact O-N 2.87Å; F288-K291 WeakPolarHBondContact O-CB 3.28Å; F288-K291 PolarHBondContact O-N 3.31Å; F288-K291 VanDerWaalsContact O-N 3.16Å; F288-L292 HydrophobicContact CD1-CD1 3.86Å; F288-L292 HydrophobicContact CD2-CD1 4.45Å; F288-L292 HydrophobicContact CE1-CD1 3.41Å; F288-L292 VanDerWaalsContact CE1-CD1 3.41Å; F288-L292 HydrophobicContact CE2-CD1 4.06Å; F288-L292 HydrophobicContact CE2-CG 4.4Å; F288-L292 HydrophobicContact CG-CD1 4.38Å; F288-L292 HydrophobicContact CZ-CD1 3.53Å; F288-L292 HydrophobicContact CZ-CG 4.29Å; F288-L292 PolarHBondContact O-N 3.15Å |
| 289 | Y | 71.9 | Confident | 66.2 | Low | 44 Ų | 44 | 79.8 Ų | 79.8 | 17% | 0.173 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 176.2 | -78.9 | -71.8 | 0 | 0 | 0 | 112.4 | V35 Y279 F285 L292 K293 | V35-Y289 HydrophobicContact CB-CE1 4.3Å; V35-Y289 HydrophobicContact CG1-CD1 4.03Å; V35-Y289 HydrophobicContact CG1-CE1 3.4Å; V35-Y289 VanDerWaalsContact CG1-CE1 3.4Å; Y279-Y289 AromaticContact CD2-CD2 3.99Å; Y279-Y289 HydrophobicContact CD2-CD2 3.99Å; F285-Y289 HydrophobicContact CB-CD2 4.25Å; F285-Y289 HydrophobicContact CB-CE2 4.2Å; F285-Y289 HydrophobicContact CD1-CE2 4.06Å; F285-Y289 WeakPolarHBondContact O-CD2 3.07Å; F285-Y289 PolarHBondContact O-N 3.18Å; Y289-L292 PolarHBondContact O-N 3.43Å; Y289-K293 PolarHBondContact O-N 2.84Å |
| 290 | N | 72.8 | Confident | 64.5 | Low | 82 Ų | 82 | 85.5 Ų | 85.5 | 44% | 0.439 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.3 | -37.4 | 176.2 | -73.2 | -8.3 | 0 | 0 | 0 | 112.2 | P286 F288 L292 K293 I294 | P286-N290 VanDerWaalsContact O-CB 3.28Å; P286-N290 WeakPolarHBondContact O-CB 2.9Å; P286-N290 PolarHBondContact O-N 3.05Å; P286-N290 PolarHBondContact O-ND2 3.06Å; F288-N290 VanDerWaalsContact C-N 3.33Å; F288-N290 PolarHBondContact O-N 2.87Å; N290-L292 VanDerWaalsContact C-N 3.34Å; N290-K293 PolarHBondContact O-N 3.49Å; N290-I294 WeakPolarHBondContact O-CD1 3.31Å; N290-I294 VanDerWaalsContact O-CG1 3.25Å; N290-I294 WeakPolarHBondContact O-CG1 3.07Å; N290-I294 PolarHBondContact O-N 3.22Å |
| 291 | K | 73.1 | Confident | 63.1 | Low | 126 Ų | 126 | 92 Ų | 92 | 55% | 0.548 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.7 | -41.8 | 174.2 | -170 | 179.1 | -179.9 | -174.5 | 0 | 111.4 | K287 F288 I294 C295 | K287-K291 WeakPolarHBondContact O-CB 3.27Å; K287-K291 PolarHBondContact O-N 3.4Å; F288-K291 WeakPolarHBondContact O-CB 3.28Å; F288-K291 PolarHBondContact O-N 3.31Å; F288-K291 VanDerWaalsContact O-N 3.16Å; K291-I294 PolarHBondContact O-N 3.18Å; K291-C295 WeakPolarHBondContact O-CB 3.45Å; K291-C295 PolarHBondContact O-N 3.36Å; K291-C295 PolarHBondContact O-SG 3.19Å |
| 292 | L | 70.1 | Confident | 61.6 | Low | 69 Ų | 69 | 97.4 Ų | 97.4 | 36% | 0.361 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.6 | -49.5 | 173.6 | -78.4 | 161.4 | 0 | 0 | 0 | 111.6 | V35 F288 Y289 N290 I294 C295 S296 | V35-L292 HydrophobicContact CG1-CD1 3.75Å; F288-L292 HydrophobicContact CD1-CD1 3.86Å; F288-L292 HydrophobicContact CD2-CD1 4.45Å; F288-L292 HydrophobicContact CE1-CD1 3.41Å; F288-L292 VanDerWaalsContact CE1-CD1 3.41Å; F288-L292 HydrophobicContact CE2-CD1 4.06Å; F288-L292 HydrophobicContact CE2-CG 4.4Å; F288-L292 HydrophobicContact CG-CD1 4.38Å; F288-L292 HydrophobicContact CZ-CD1 3.53Å; F288-L292 HydrophobicContact CZ-CG 4.29Å; F288-L292 PolarHBondContact O-N 3.15Å; Y289-L292 PolarHBondContact O-N 3.43Å; N290-L292 VanDerWaalsContact C-N 3.34Å; L292-I294 VanDerWaalsContact C-N 3.32Å; L292-I294 PolarHBondContact O-N 2.96Å; L292-C295 PolarHBondContact O-N 2.86Å; L292-S296 PolarHBondContact O-N 3.35Å; L292-S296 PolarHBondContact O-OG 3.01Å; L292-S296 VanDerWaalsContact O-OG 3.12Å |
| 293 | K | 67.3 | Low | 60.4 | Low | 145 Ų | 145 | 100.1 Ų | 100.1 | 63% | 0.63 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -57.1 | -42.6 | 176.5 | -78.2 | -171.2 | 175.4 | -172.5 | 0 | 112.7 | Y289 N290 S296 L297 | Y289-K293 PolarHBondContact O-N 2.84Å; N290-K293 PolarHBondContact O-N 3.49Å; K293-S296 PolarHBondContact O-N 2.92Å; K293-L297 WeakPolarHBondContact O-CB 3.38Å; K293-L297 WeakPolarHBondContact O-CD1 3.25Å; K293-L297 WeakPolarHBondContact O-CG 3.36Å; K293-L297 PolarHBondContact O-N 2.63Å; K293-L297 VanDerWaalsContact O-N 3.15Å |
| 294 | I | 63 | Low | 59.3 | Low | 107 Ų | 107 | 105.1 Ų | 105.1 | 55% | 0.549 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -69 | -36.5 | 179.4 | -67.3 | 164.8 | 0 | 0 | 0 | 111.6 | N290 K291 L292 L297 K298 | N290-I294 WeakPolarHBondContact O-CD1 3.31Å; N290-I294 VanDerWaalsContact O-CG1 3.25Å; N290-I294 WeakPolarHBondContact O-CG1 3.07Å; N290-I294 PolarHBondContact O-N 3.22Å; K291-I294 PolarHBondContact O-N 3.18Å; L292-I294 VanDerWaalsContact C-N 3.32Å; L292-I294 PolarHBondContact O-N 2.96Å; I294-L297 PolarHBondContact O-N 3.13Å; I294-K298 PolarHBondContact O-N 3.45Å |
| 295 | C | 58.8 | Low | 57.9 | Low | 87 Ų | 87 | 107.6 Ų | 107.6 | 59% | 0.588 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -69.4 | -37.4 | 175.2 | -77.4 | 0 | 0 | 0 | 0 | 112.6 | K291 L292 L297 | K291-C295 WeakPolarHBondContact O-CB 3.45Å; K291-C295 PolarHBondContact O-N 3.36Å; K291-C295 PolarHBondContact O-SG 3.19Å; L292-C295 PolarHBondContact O-N 2.86Å; C295-L297 VanDerWaalsContact C-N 3.3Å; C295-L297 PolarHBondContact O-N 3.32Å |
| 296 | S | 58.9 | Low | 56.5 | Low | 104 Ų | 104 | 117 Ų | 117 | 73% | 0.727 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.9 | -22.7 | 176 | -57.8 | 0 | 0 | 0 | 0 | 113.7 | L292 K293 | L292-S296 PolarHBondContact O-N 3.35Å; L292-S296 PolarHBondContact O-OG 3.01Å; L292-S296 VanDerWaalsContact O-OG 3.12Å; K293-S296 PolarHBondContact O-N 2.92Å |
| 297 | L | 56.2 | Low | 54.9 | Low | 141 Ų | 141 | 122.2 Ų | 122.2 | 74% | 0.738 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -3.7 | -178.3 | -74.5 | 167.9 | 0 | 0 | 0 | 114.4 | K293 I294 C295 P299 | K293-L297 WeakPolarHBondContact O-CB 3.38Å; K293-L297 WeakPolarHBondContact O-CD1 3.25Å; K293-L297 WeakPolarHBondContact O-CG 3.36Å; K293-L297 PolarHBondContact O-N 2.63Å; K293-L297 VanDerWaalsContact O-N 3.15Å; I294-L297 PolarHBondContact O-N 3.13Å; C295-L297 VanDerWaalsContact C-N 3.3Å; C295-L297 PolarHBondContact O-N 3.32Å; L297-P299 VanDerWaalsContact O-CD 3.27Å; L297-P299 WeakPolarHBondContact O-CD 3.31Å |
| 298 | K | 45.2 | Very low | 53.4 | Low | 159 Ų | 159 | 123.9 Ų | 123.9 | 69% | 0.691 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -80.4 | 115.2 | 171.9 | -85.2 | -170.5 | 175.7 | -171.2 | 0 | 109.4 | I294 K300 | I294-K298 PolarHBondContact O-N 3.45Å; K298-K300 PolarHBondContact O-N 2.97Å |
| 299 | P | 46.9 | Very low | 51.4 | Low | 116 Ų | 116 | 133.9 Ų | 133.9 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | trans | -59 | 132.4 | 166.2 | -13.9 | 28.6 | 0 | 0 | 0 | 107.8 | L297 Q301 | L297-P299 VanDerWaalsContact O-CD 3.27Å; L297-P299 WeakPolarHBondContact O-CD 3.31Å; P299-Q301 VanDerWaalsContact C-N 3.32Å; P299-Q301 PolarHBondContact O-N 3.32Å | ||
| 300 | K | 43.9 | Very low | 49.7 | Very low | 207 Ų | 207 | 137.4 Ų | 137.4 | 90% | 0.9 | 72% | 0.72 | S | S | * | * | trans | -64 | 94.3 | 174.1 | -154.5 | 178.1 | -171.9 | -178.7 | 0 | 106.9 | K298 | K298-K300 PolarHBondContact O-N 2.97Š| ||
| 301 | Q | 47.8 | Very low | 48.1 | Very low | 178 Ų | 178 | 142.9 Ų | 142.9 | 83% | 0.832 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 128.9 | 172.1 | -83.3 | -169 | -16.8 | 0 | 0 | 107.9 | P299 G303 | P299-Q301 VanDerWaalsContact C-N 3.32Å; P299-Q301 PolarHBondContact O-N 3.32Å; Q301-G303 PolarHBondContact O-N 3.22Å |
| 302 | P | 42.8 | Very low | 46.3 | Very low | 127 Ų | 127 | 146.1 Ų | 146.1 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 122.1 | 175.8 | 8.6 | -6.9 | 0 | 0 | 0 | 108.6 | H304 | P302-H304 PolarHBondContact O-N 3.07Š|
| 303 | G | 41.1 | Very low | 44.6 | Very low | 73 Ų | 73 | 151.4 Ų | 151.4 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 127.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | Q301 S305 | Q301-G303 PolarHBondContact O-N 3.22Å; G303-S305 PolarHBondContact O-N 3.3Å; G303-S305 VanDerWaalsContact O-N 3.12Å |
| 304 | H | 39.3 | Very low | 43.3 | Very low | 189 Ų | 189 | 149.7 Ų | 149.7 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | trans | -64.6 | 109.4 | 170.1 | -141.7 | -5.9 | 0 | 0 | 0 | 108.2 | P302 K306 | P302-H304 PolarHBondContact O-N 3.07Å; H304-K306 PolarHBondContact O-N 2.88Å; H304-K306 VanDerWaalsContact O-N 3.11Å | ||
| 305 | S | 35.7 | Very low | 41.9 | Very low | 100 Ų | 100 | 151.8 Ų | 151.8 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -62.7 | 106.5 | 173.1 | 34.2 | 0 | 0 | 0 | 0 | 109.6 | G303 T307 | G303-S305 PolarHBondContact O-N 3.3Å; G303-S305 VanDerWaalsContact O-N 3.12Å; S305-T307 PolarHBondContact O-N 3.44Å; S305-T307 VanDerWaalsContact O-N 3.08Å | ||
| 306 | K | 39.2 | Very low | 40.7 | Very low | 203 Ų | 203 | 152.1 Ų | 152.1 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -69 | 102.1 | 165 | -72.1 | -175.3 | 178.5 | -177.5 | 0 | 107.8 | H304 Q308 | H304-K306 PolarHBondContact O-N 2.88Å; H304-K306 VanDerWaalsContact O-N 3.11Å; K306-Q308 PolarHBondContact O-N 3.19Å | ||
| 307 | T | 34.7 | Very low | 39.4 | Very low | 129 Ų | 129 | 153.8 Ų | 153.8 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | trans | -70.2 | 110 | 168.3 | -58.8 | 0 | 0 | 0 | 0 | 107.9 | S305 | S305-T307 PolarHBondContact O-N 3.44Å; S305-T307 VanDerWaalsContact O-N 3.08Å | ||
| 308 | Q | 39.1 | Very low | 38.1 | Very low | 190 Ų | 190 | 154.6 Ų | 154.6 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 127.1 | 165 | -83.8 | 171.2 | -40.3 | 0 | 0 | 108.6 | K306 | K306-Q308 PolarHBondContact O-N 3.19Š|
| 309 | R | 32 | Very low | 37.3 | Very low | 235 Ų | 235 | 150.5 Ų | 150.5 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 140.7 | 166.2 | -159.8 | -177 | -66.1 | -151.2 | 2.6 | 108.2 | ||
| 310 | P | 35.7 | Very low | 36.5 | Very low | 118 Ų | 118 | 156.4 Ų | 156.4 | 77% | 0.766 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 151.9 | -170.5 | -14 | 29.7 | 0 | 0 | 0 | 113.2 | ||
| 311 | Q | 40.2 | Very low | 35.9 | Very low | 197 Ų | 197 | 155.3 Ų | 155.3 | 92% | 0.921 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 130 | 169.8 | -78.2 | 169.7 | -55.4 | 0 | 0 | 111.3 | ||
| 312 | E | 33.5 | Very low | 35 | Very low | 195 Ų | 195 | 152 Ų | 152 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | trans | -124.2 | 122.4 | 154.7 | -80.5 | -180 | 163 | 0 | 0 | 108.6 | ||||
| 313 | M | 34.9 | Very low | 34.3 | Very low | 180 Ų | 180 | 151.6 Ų | 151.6 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | -114.4 | 141.7 | 153.3 | -98.4 | -160.9 | -69.3 | 0 | 0 | 105 | ||||
| 314 | P | 41.2 | Very low | 33.8 | Very low | 108 Ų | 108 | 155.8 Ų | 155.8 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | -157.2 | 156.3 | 83.4 | 34.3 | -11.4 | 0 | 0 | 0 | 119.4 | |||||
| 315 | I | 32.7 | Very low | 33.3 | Very low | 152 Ų | 152 | 152.6 Ų | 152.6 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | trans | 72.8 | 120.5 | 131.5 | -62.8 | 168.3 | 0 | 0 | 0 | 122.9 | ||||
| 316 | S | 33.3 | Very low | 32.9 | Very low | 94 Ų | 94 | 153 Ų | 153 | 66% | 0.657 | 81% | 0.81 | S | S | * | * | trans | 72.3 | 140.1 | 149.6 | 76.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 317 | N | 31.1 | Very low | 32.4 | Very low | 139 Ų | 139 | 149 Ų | 149 | 74% | 0.743 | 80% | 0.803 | S | S | * | * | cis | -169.4 | 162.4 | 37.6 | -122.6 | -22.9 | 0 | 0 | 0 | 111.9 | ||||
| 318 | L | 30.7 | Very low | 32 | Very low | 157 Ų | 157 | 149.6 Ų | 149.6 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | 71.6 | 102.3 | 153.5 | -90.2 | 79.4 | 0 | 0 | 0 | 121.4 | ||||
| 319 | G | 27.7 | Very low | 31.6 | Very low | 73 Ų | 73 | 145.3 Ų | 145.3 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | 116.6 | 108.1 | 106 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 320 | R | 30.3 | Very low | 31.4 | Very low | 241 Ų | 241 | 139.8 Ų | 139.8 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | 70.9 | 123.2 | 146.3 | -105.3 | 175.9 | -168.7 | -177.6 | 3.2 | 116.4 | ||||
| 321 | K | 31.5 | Very low | 31.1 | Very low | 183 Ų | 183 | 143.5 Ų | 143.5 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | cis | -157.1 | 144.9 | 39.4 | -75.4 | 174.9 | 174.3 | 172.9 | 0 | 112.5 | ||||
| 322 | S | 28.7 | Very low | 30.6 | Very low | 108 Ų | 108 | 140 Ų | 140 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | 53.8 | 110.9 | 149.4 | -64.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 323 | C | 28.4 | Very low | 30.4 | Very low | 120 Ų | 120 | 139.4 Ų | 139.4 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | 63.1 | 98.9 | 76.3 | -70.3 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 324 | L | 31 | Very low | 30.1 | Very low | 160 Ų | 160 | 135.7 Ų | 135.7 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | 52.1 | 114.7 | 82 | -93.7 | 152.5 | 0 | 0 | 0 | 114.9 | V326 | L324-V326 HydrophobicContact CD2-CG2 4.1Š| |||
| 325 | S | 27.3 | Very low | 29.5 | Very low | 123 Ų | 123 | 138.4 Ų | 138.4 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | trans | -151.9 | 127.9 | 139.9 | 59.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 326 | V | 28.4 | Very low | 29.4 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | trans | -93.5 | 169.9 | 173.8 | -175 | 0 | 0 | 0 | 0 | 108.3 | L324 | L324-V326 HydrophobicContact CD2-CG2 4.1Š| ||
| 327 | T | 28.9 | Very low | 29.1 | Very low | 117 Ų | 117 | 138 Ų | 138 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | trans | 80.2 | 146.3 | 160.2 | 67.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 328 | N | 26.4 | Very low | 29 | Very low | 142 Ų | 142 | 141 Ų | 141 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | cis | -167.5 | 158.6 | -2.1 | -118.3 | -4.9 | 0 | 0 | 0 | 109.3 | ||||
| 329 | S | 29.3 | Very low | 29 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | 20.5 | 136.7 | 146.1 | 64.1 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 330 | S | 27.8 | Very low | 30.1 | Very low | 119 Ų | 119 | 140.1 Ų | 140.1 | 83% | 0.832 | 78% | 0.779 | S | S | * | * | -174.9 | 134 | 122.2 | 47.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 331 | Q | 30.9 | Very low | 30.1 | Very low | 196 Ų | 196 | 136.6 Ų | 136.6 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | -59.7 | 151.3 | 166.7 | -71.3 | 154.6 | -61.4 | 0 | 0 | 112.3 | ||||
| 332 | S | 28.6 | Very low | 30.4 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -155 | 134.7 | 133.9 | 68.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 333 | Q | 28.6 | Very low | 30.7 | Very low | 183 Ų | 183 | 135.7 Ų | 135.7 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -80.8 | -174.8 | -173.7 | -137.4 | 162.8 | -15.9 | 0 | 0 | 112.6 | ||||
| 334 | S | 28.8 | Very low | 30.9 | Very low | 101 Ų | 101 | 137.5 Ų | 137.5 | 71% | 0.706 | 77% | 0.768 | S | S | * | * | trans | 88.3 | 137.2 | 167.4 | 80.3 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 335 | D | 29.1 | Very low | 31.2 | Very low | 165 Ų | 165 | 139.8 Ų | 139.8 | 88% | 0.882 | 77% | 0.765 | S | S | * | * | cis | -173.8 | 160.1 | -13 | -107.8 | -26.2 | 0 | 0 | 0 | 106.1 | ||||
| 336 | G | 30.1 | Very low | 31.8 | Very low | 71 Ų | 71 | 145.5 Ų | 145.5 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | 106.9 | 82.9 | 156.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 337 | Q | 28 | Very low | 31.9 | Very low | 168 Ų | 168 | 147.3 Ų | 147.3 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | 108.2 | 106.9 | 64.1 | -171.2 | 85.6 | 21.6 | 0 | 0 | 111.7 | |||||
| 338 | W | 28.2 | Very low | 32.1 | Very low | 202 Ų | 202 | 148.9 Ų | 148.9 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | 33.2 | 120.2 | 141.6 | -63 | 81.6 | 0 | 0 | 0 | 121.8 | ||||
| 339 | D | 31.6 | Very low | 32.4 | Very low | 127 Ų | 127 | 149.3 Ų | 149.3 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | 78.1 | 164.3 | 77.6 | -139 | 19.4 | 0 | 0 | 0 | 112.7 | |||||
| 340 | P | 49.3 | Very low | 32.6 | Very low | 83 Ų | 83 | 152.1 Ų | 152.1 | 54% | 0.539 | 79% | 0.794 | S | S | . | * | cis | -131.1 | 177.8 | -21.1 | 23.6 | 0.4 | 0 | 0 | 0 | 112.9 | ||||
| 341 | H | 31.4 | Very low | 32.9 | Very low | 167 Ų | 167 | 154.2 Ų | 154.2 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | 174.1 | 110.6 | 126.5 | -93.5 | -67 | 0 | 0 | 0 | 113.1 | |||||
| 342 | I | 37.5 | Very low | 33 | Very low | 142 Ų | 142 | 151.4 Ų | 151.4 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | trans | 12.6 | 126.3 | 133.5 | -54.5 | 172.9 | 0 | 0 | 0 | 117.5 | ||||
| 343 | V | 35.3 | Very low | 33.3 | Very low | 130 Ų | 130 | 153.4 Ų | 153.4 | 79% | 0.788 | 78% | 0.777 | S | S | * | * | trans | -151.4 | 115.5 | 134.6 | -179.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 344 | E | 32.3 | Very low | 33.7 | Very low | 158 Ų | 158 | 151.2 Ų | 151.2 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | trans | -57.3 | 162.2 | 158.7 | -79 | 176.9 | 121.2 | 0 | 0 | 111.1 | ||||
| 345 | W | 36.5 | Very low | 34.1 | Very low | 208 Ų | 208 | 155.3 Ų | 155.3 | 79% | 0.788 | 78% | 0.777 | S | S | * | * | 176.2 | 124.5 | 124.1 | -82 | 115.8 | 0 | 0 | 0 | 110.5 | |||||
| 346 | H | 40.3 | Very low | 34.6 | Very low | 243 Ų | 243 | 154.5 Ų | 154.5 | 100% | 1.125 | 77% | 0.767 | S | S | * | * | trans | 55.5 | 0 | 152.5 | -78.8 | -57.3 | 0 | 0 | 0 | 122.8 |
Retrieved 346 of 346 residues in 220.7 ms
(Link to these results)