| 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 | 29.3 | Very low | 65.2 | Low | 245 Ų | 245 | 101.5 Ų | 101.5 | 100% | 1.207 | 53% | 0.533 | S | S | * | . | 0 | 92.6 | 0 | -164.1 | 179.3 | -123.6 | 0 | 0 | 106 | C3 | M1-C3 PolarHBondContact O-N 3.04Š| |||
| 2 | F | 38.6 | Very low | 67.6 | Low | 190 Ų | 190 | 102.3 Ų | 102.3 | 83% | 0.833 | 53% | 0.529 | S | S | * | . | trans | -71.2 | 119 | 176.5 | -82.3 | -85.2 | 0 | 0 | 0 | 107.6 | G4 | F2-G4 VanDerWaalsContact C-N 3.29Å; F2-G4 PolarHBondContact O-N 3.43Å | ||
| 3 | C | 34.2 | Very low | 69.7 | Low | 122 Ų | 122 | 101.4 Ų | 101.4 | 82% | 0.824 | 53% | 0.534 | S | S | * | . | trans | -65.6 | 101.9 | 157 | -162.5 | 0 | 0 | 0 | 0 | 104.6 | M1 D5 | M1-C3 PolarHBondContact O-N 3.04Å; C3-D5 PolarHBondContact O-N 2.72Å | ||
| 4 | G | 39.3 | Very low | 71.5 | Confident | 52 Ų | 52 | 95.3 Ų | 95.3 | 54% | 0.536 | 51% | 0.505 | S | S | . | . | trans | -72.2 | 89.3 | -171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | F2 Y6 | F2-G4 VanDerWaalsContact C-N 3.29Å; F2-G4 PolarHBondContact O-N 3.43Å; G4-Y6 PolarHBondContact O-N 2.88Å | ||
| 5 | D | 53.9 | Low | 73 | Confident | 92 Ų | 92 | 96.3 Ų | 96.3 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | trans | -62.1 | 106.4 | 155.3 | -75.7 | -34.1 | 0 | 0 | 0 | 106.7 | C3 V7 | C3-D5 PolarHBondContact O-N 2.72Å; D5-V7 PolarHBondContact O-N 3.26Å | ||
| 6 | Y | 68.3 | Low | 74.2 | Confident | 206 Ų | 206 | 100.7 Ų | 100.7 | 81% | 0.808 | 54% | 0.543 | S | S | * | . | trans | -56.8 | 126.4 | 175.9 | -72.9 | -89.4 | 0 | 0 | 0 | 109 | G4 Q8 | G4-Y6 PolarHBondContact O-N 2.88Å; Y6-Q8 PolarHBondContact O-N 3.14Å | ||
| 7 | V | 78.4 | Confident | 75.5 | Confident | 96 Ų | 96 | 97.4 Ų | 97.4 | 58% | 0.582 | 52% | 0.522 | S | S | * | . | trans | -62.7 | 119.6 | 172.2 | 180 | 0 | 0 | 0 | 0 | 107.6 | D5 D281 | D5-V7 PolarHBondContact O-N 3.26Å; V7-D281 HydrophobicContact CG1-CB 3.28Å | ||
| 8 | Q | 89.6 | Confident | 76.8 | Confident | 82 Ų | 82 | 95.1 Ų | 95.1 | 38% | 0.383 | 51% | 0.51 | S | S | . | . | trans | -136.1 | 130.4 | -167.4 | -169.4 | 176.8 | -3.3 | 0 | 0 | 112 | Y6 F12 I280 D281 L282 L283 T284 | Y6-Q8 PolarHBondContact O-N 3.14Å; Q8-F12 HydrophobicContact CG-CZ 3.97Å; Q8-I280 CarbonylContact C-O 3.59Å; Q8-I280 VanDerWaalsContact C-O 3.31Å; Q8-D281 CarbonylContact O-C 3.38Å; Q8-D281 WeakPolarHBondContact O-CA 3.23Å; Q8-L282 PolarHBondContact O-N 2.98Å; Q8-L283 HydrophobicContact CB-CB 4.32Å; Q8-L283 HydrophobicContact CB-CD2 4.14Å; Q8-L283 VanDerWaalsContact CD-CD2 3.43Å; Q8-L283 HydrophobicContact CG-CD2 3.88Å; Q8-L283 WeakPolarHBondContact O-CB 3.34Å; Q8-L283 PolarHBondContact O-N 3.41Å; Q8-T284 PolarHBondContact N-OG1 3.02Å; Q8-T284 VanDerWaalsContact N-OG1 3.13Å | ||
| 9 | G | 94.1 | Very high | 77.9 | Confident | 5 Ų | 5 | 92.1 Ų | 92.1 | 5% | 0.052 | 50% | 0.496 | C | S | . | . | trans | -74.9 | 177.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113 | F12 S278 I280 | G9-F12 VanDerWaalsContact O-CZ 3.24Å; G9-F12 WeakPolarHBondContact O-CZ 3.31Å; G9-S278 CarbonylContact C-O 3.31Å; G9-S278 WeakPolarHBondContact CA-O 3.31Å; G9-I280 PolarHBondContact N-O 3.4Å | ||
| 10 | T | 95.9 | Very high | 78.9 | Confident | 16 Ų | 16 | 92 Ų | 92 | 10% | 0.098 | 49% | 0.494 | C | S | . | . | S | Bend | trans | -109.3 | -23.8 | 174.6 | 53.3 | 0 | 0 | 0 | 0 | 112.9 | S278 L282 L283 I316 A318 | T10-S278 PolarHBondContact N-O 3.35Å; T10-S278 PolarHBondContact OG1-O 3.19Å; T10-L282 HydrophobicContact CG2-CB 4Å; T10-L282 HydrophobicContact CG2-CD2 4.3Å; T10-L282 HydrophobicContact CG2-CG 4.07Å; T10-L283 HydrophobicContact CG2-CB 4.05Å; T10-I316 WeakPolarHBondContact CB-O 3.48Å; T10-I316 PolarHBondContact OG1-O 3.43Å; T10-A318 HydrophobicContact CG2-CB 4.4Å |
| 11 | I | 95.6 | Very high | 79.8 | Confident | 10 Ų | 10 | 92.8 Ų | 92.8 | 5% | 0.051 | 50% | 0.496 | C | S | . | . | trans | -102.1 | 132.6 | 174.6 | -62.1 | -178.7 | 0 | 0 | 0 | 109.3 | T45 S278 E279 I316 | I11-T45 WeakPolarHBondContact CD1-O 3.35Å; I11-S278 PolarHBondContact N-O 3.43Å; I11-E279 HydrophobicContact CB-CG 3.88Å; I11-E279 HydrophobicContact CG2-CG 4.1Å; I11-I316 HydrophobicContact CD1-CG1 4.42Å; I11-I316 HydrophobicContact CD1-CG2 3.95Å; I11-I316 HydrophobicContact CG1-CG2 4.45Å | ||
| 12 | F | 93.9 | Very high | 83.1 | Confident | 111 Ų | 111 | 81.4 Ų | 81.4 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | trans | -126.5 | 160.8 | 178.4 | -59.3 | -84.4 | 0 | 0 | 0 | 110.1 | Q8 G9 A14 | Q8-F12 HydrophobicContact CG-CZ 3.97Å; G9-F12 VanDerWaalsContact O-CZ 3.24Å; G9-F12 WeakPolarHBondContact O-CZ 3.31Å; F12-A14 PolarHBondContact O-N 2.84Å; F12-A14 VanDerWaalsContact O-N 3.16Å | ||
| 13 | P | 95.4 | Very high | 86 | Confident | 91 Ų | 91 | 72.3 Ų | 72.3 | 59% | 0.591 | 40% | 0.401 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 122.3 | 170.3 | -23.6 | 33.4 | 0 | 0 | 0 | 110.8 | C48 | P13-C48 HydrophobicContact CG-CB 4.27Š|
| 14 | A | 95.1 | Very high | 89 | Confident | 16 Ų | 16 | 71.1 Ų | 71.1 | 13% | 0.132 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -64.4 | 133.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | F12 Q51 | F12-A14 PolarHBondContact O-N 2.84Å; F12-A14 VanDerWaalsContact O-N 3.16Å; A14-Q51 VanDerWaalsContact N-NE2 3.14Å; A14-Q51 PolarHBondContact O-NE2 3.36Å |
| 15 | P | 93.1 | Very high | 91.7 | Very high | 111 Ų | 111 | 72.3 Ų | 72.3 | 72% | 0.721 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | 150.6 | 173.7 | 30 | -34.4 | 0 | 0 | 0 | 110.3 | F17 | P15-F17 PolarHBondContact O-N 3.1Š|
| 16 | N | 92.5 | Very high | 93.8 | Very high | 166 Ų | 166 | 68 Ų | 68 | 89% | 0.888 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.3 | 32.9 | 179.1 | -52.7 | -45.6 | 0 | 0 | 0 | 114.1 | N18 | N16-N18 PolarHBondContact O-N 3.31Š|
| 17 | F | 97.1 | Very high | 95.1 | Very high | 45 Ų | 45 | 58.1 Ų | 58.1 | 20% | 0.197 | 31% | 0.314 | C | S | . | . | trans | -60.4 | 132.4 | -179.1 | 169.5 | -112 | 0 | 0 | 0 | 112.8 | P15 P19 D22 Q51 M54 I55 | P15-F17 PolarHBondContact O-N 3.1Å; F17-P19 HydrophobicContact CE1-CB 3.9Å; F17-P19 HydrophobicContact CE1-CG 4.02Å; F17-P19 HydrophobicContact CE2-CB 4.37Å; F17-P19 HydrophobicContact CZ-CB 3.57Å; F17-P19 HydrophobicContact CZ-CG 4.2Å; F17-D22 WeakPolarHBondContact CD2-OD2 3.24Å; F17-D22 VanDerWaalsContact CE2-OD2 3.32Å; F17-D22 WeakPolarHBondContact CE2-OD2 3.35Å; F17-Q51 VanDerWaalsContact CB-NE2 3.34Å; F17-Q51 HydrophobicContact CD1-CB 4.4Å; F17-Q51 HydrophobicContact CD1-CG 3.77Å; F17-Q51 HydrophobicContact CD2-CB 4.14Å; F17-Q51 HydrophobicContact CD2-CG 4.06Å; F17-Q51 HydrophobicContact CE1-CB 4.06Å; F17-Q51 HydrophobicContact CE1-CG 3.85Å; F17-Q51 HydrophobicContact CE2-CB 3.78Å; F17-Q51 HydrophobicContact CE2-CG 4.14Å; F17-Q51 HydrophobicContact CG-CB 4.41Å; F17-Q51 HydrophobicContact CG-CG 3.86Å; F17-Q51 HydrophobicContact CZ-CB 3.71Å; F17-Q51 HydrophobicContact CZ-CG 4.01Å; F17-Q51 WeakPolarHBondContact CZ-O 3.44Å; F17-M54 HydrophobicContact CD1-CE 4.17Å; F17-M54 HydrophobicContact CE1-CB 3.93Å; F17-M54 HydrophobicContact CE1-CE 3.62Å; F17-M54 HydrophobicContact CE1-SD 3.91Å; F17-M54 HydrophobicContact CZ-CB 3.96Å; F17-M54 HydrophobicContact CZ-CE 4.47Å; F17-I55 HydrophobicContact CE2-CD1 3.83Å; F17-I55 HydrophobicContact CE2-CG1 3.71Å; F17-I55 HydrophobicContact CZ-CD1 4.34Å; F17-I55 HydrophobicContact CZ-CG1 3.84Å | ||
| 18 | N | 98.1 | Very high | 95.9 | Very high | 56 Ų | 56 | 55.9 Ų | 55.9 | 30% | 0.299 | 31% | 0.31 | S | S | . | . | trans | -130.7 | 105.5 | 173 | -176.7 | -24.4 | 0 | 0 | 0 | 109.7 | N16 I20 M21 D22 | N16-N18 PolarHBondContact O-N 3.31Å; N18-I20 VanDerWaalsContact C-N 3.26Å; N18-I20 PolarHBondContact O-N 3.2Å; N18-I20 WeakPolarHBondContact OD1-CB 3.01Å; N18-I20 PolarHBondContact OD1-N 3.43Å; N18-M21 HydrophobicContact CB-CB 4.13Å; N18-M21 HydrophobicContact CB-CG 4.23Å; N18-M21 HydrophobicContact CB-SD 4.15Å; N18-M21 WeakPolarHBondContact ND2-CG 3.44Å; N18-M21 PolarHBondContact ND2-SD 2.98Å; N18-M21 PolarHBondContact O-N 3.13Å; N18-M21 PolarHBondContact OD1-N 3.12Å; N18-D22 PolarHBondContact O-N 2.88Å; N18-D22 VanDerWaalsContact O-N 3.12Å | ||
| 19 | P | 98.1 | Very high | 96.2 | Very high | 37 Ų | 37 | 52.3 Ų | 52.3 | 24% | 0.24 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.8 | -30.9 | -175.8 | 23.4 | -31.5 | 0 | 0 | 0 | 112.9 | F17 A23 M54 A58 | F17-P19 HydrophobicContact CE1-CB 3.9Å; F17-P19 HydrophobicContact CE1-CG 4.02Å; F17-P19 HydrophobicContact CE2-CB 4.37Å; F17-P19 HydrophobicContact CZ-CB 3.57Å; F17-P19 HydrophobicContact CZ-CG 4.2Å; P19-A23 WeakPolarHBondContact O-CB 3.36Å; P19-A23 PolarHBondContact O-N 3.17Å; P19-M54 HydrophobicContact CB-CB 4.04Å; P19-A58 HydrophobicContact CB-CB 4.11Å |
| 20 | I | 98.3 | Very high | 96.2 | Very high | 91 Ų | 91 | 52.4 Ų | 52.4 | 47% | 0.467 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -70.2 | -43.9 | -179.3 | -62 | 172.5 | 0 | 0 | 0 | 110.3 | N18 A23 Q24 A58 M62 | N18-I20 VanDerWaalsContact C-N 3.26Å; N18-I20 PolarHBondContact O-N 3.2Å; N18-I20 WeakPolarHBondContact OD1-CB 3.01Å; N18-I20 PolarHBondContact OD1-N 3.43Å; I20-A23 PolarHBondContact O-N 2.89Å; I20-Q24 WeakPolarHBondContact O-CB 3.44Å; I20-Q24 VanDerWaalsContact O-CG 3.28Å; I20-Q24 WeakPolarHBondContact O-CG 3.45Å; I20-Q24 PolarHBondContact O-N 3.43Å; I20-A58 HydrophobicContact CG1-CB 4.44Å; I20-M62 HydrophobicContact CG2-SD 3.89Å |
| 21 | M | 98.1 | Very high | 95.6 | Very high | 108 Ų | 108 | 57.8 Ų | 57.8 | 53% | 0.532 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.8 | -44.3 | 177.5 | -74 | 179.4 | 171.5 | 0 | 0 | 111.4 | N18 Q24 M25 | N18-M21 HydrophobicContact CB-CB 4.13Å; N18-M21 HydrophobicContact CB-CG 4.23Å; N18-M21 HydrophobicContact CB-SD 4.15Å; N18-M21 WeakPolarHBondContact ND2-CG 3.44Å; N18-M21 PolarHBondContact ND2-SD 2.98Å; N18-M21 PolarHBondContact O-N 3.13Å; N18-M21 PolarHBondContact OD1-N 3.12Å; M21-Q24 WeakPolarHBondContact O-CB 3.44Å; M21-Q24 PolarHBondContact O-N 2.97Å; M21-M25 WeakPolarHBondContact O-CG 3.32Å; M21-M25 PolarHBondContact O-N 2.93Å |
| 22 | D | 98.4 | Very high | 94.3 | Very high | 6 Ų | 6 | 59 Ų | 59 | 3% | 0.032 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.7 | -75.7 | -19.6 | 0 | 0 | 0 | 111.1 | F17 N18 Q24 M25 L26 I43 R47 I55 | F17-D22 WeakPolarHBondContact CD2-OD2 3.24Å; F17-D22 VanDerWaalsContact CE2-OD2 3.32Å; F17-D22 WeakPolarHBondContact CE2-OD2 3.35Å; N18-D22 PolarHBondContact O-N 2.88Å; N18-D22 VanDerWaalsContact O-N 3.12Å; D22-Q24 VanDerWaalsContact C-N 3.34Å; D22-Q24 PolarHBondContact O-N 2.69Å; D22-M25 PolarHBondContact O-N 2.96Å; D22-M25 VanDerWaalsContact OD1-CE 3.23Å; D22-M25 WeakPolarHBondContact OD1-CE 3.31Å; D22-L26 WeakPolarHBondContact O-CG 3.31Å; D22-L26 PolarHBondContact O-N 3.18Å; D22-I43 HydrophobicContact CB-CG2 4.09Å; D22-R47 IonicContact OD1-CZ 2.93Å; D22-R47 IonicContact OD1-NE 2.85Å; D22-R47 IonicContact OD1-NH2 3.69Å; D22-R47 PolarHBondContact OD1-NH2 2.79Å; D22-R47 IonicContact OD2-CZ 3.77Å; D22-R47 IonicContact OD2-NE 3.61Å; D22-R47 PolarHBondContact OD2-NE 3.31Å; D22-R47 IonicContact OD2-NH2 3.68Å; D22-R47 PolarHBondContact OD2-NH2 2.89Å; D22-R47 VanDerWaalsContact OD2-NH2 3.15Å; D22-I55 HydrophobicContact CB-CD1 3.77Å; D22-I55 HydrophobicContact CB-CG1 3.74Å; D22-I55 HydrophobicContact CB-CG2 4.35Å |
| 23 | A | 98.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | P19 I20 L26 G27 I55 A58 M62 | P19-A23 WeakPolarHBondContact O-CB 3.36Å; P19-A23 PolarHBondContact O-N 3.17Å; I20-A23 PolarHBondContact O-N 2.89Å; A23-L26 PolarHBondContact O-N 3.45Å; A23-G27 PolarHBondContact O-N 3.12Å; A23-I55 HydrophobicContact CB-CG2 4.28Å; A23-A58 HydrophobicContact CB-CB 3.88Å; A23-M62 HydrophobicContact CB-SD 4.24Å |
| 24 | Q | 97.4 | Very high | 92.2 | Very high | 96 Ų | 96 | 69.8 Ų | 69.8 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.2 | -46.5 | 174.6 | -77.9 | 172.6 | -6.3 | 0 | 0 | 112.4 | I20 M21 D22 G27 G28 M62 Y63 | I20-Q24 WeakPolarHBondContact O-CB 3.44Å; I20-Q24 VanDerWaalsContact O-CG 3.28Å; I20-Q24 WeakPolarHBondContact O-CG 3.45Å; I20-Q24 PolarHBondContact O-N 3.43Å; M21-Q24 WeakPolarHBondContact O-CB 3.44Å; M21-Q24 PolarHBondContact O-N 2.97Å; D22-Q24 VanDerWaalsContact C-N 3.34Å; D22-Q24 PolarHBondContact O-N 2.69Å; Q24-G27 PolarHBondContact O-N 3.21Å; Q24-G28 PolarHBondContact O-N 2.88Å; Q24-M62 HydrophobicContact CB-CE 4.46Å; Q24-M62 HydrophobicContact CG-CE 3.2Å; Q24-M62 HydrophobicContact CG-SD 3.91Å; Q24-Y63 WeakPolarHBondContact CA-OH 3.2Å |
| 25 | M | 97.4 | Very high | 92 | Very high | 78 Ų | 78 | 70.2 Ų | 70.2 | 38% | 0.384 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 179.4 | -70 | -173.9 | -69.2 | 0 | 0 | 111.5 | M21 D22 G28 A29 M39 I43 | M21-M25 WeakPolarHBondContact O-CG 3.32Å; M21-M25 PolarHBondContact O-N 2.93Å; D22-M25 PolarHBondContact O-N 2.96Å; D22-M25 VanDerWaalsContact OD1-CE 3.23Å; D22-M25 WeakPolarHBondContact OD1-CE 3.31Å; M25-G28 PolarHBondContact O-N 3.3Å; M25-A29 WeakPolarHBondContact O-CB 3.21Å; M25-A29 PolarHBondContact O-N 3.34Å; M25-M39 HydrophobicContact CB-CG 4.45Å; M25-M39 HydrophobicContact CB-SD 4.18Å; M25-M39 HydrophobicContact SD-SD 4.34Å; M25-I43 HydrophobicContact CB-CD1 3.59Å; M25-I43 HydrophobicContact CE-CD1 3.88Å; M25-I43 HydrophobicContact CE-CG1 4.48Å; M25-I43 HydrophobicContact SD-CD1 4.41Å |
| 26 | L | 97.5 | Very high | 92.1 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 174.3 | -67.3 | 179.7 | 0 | 0 | 0 | 112.1 | D22 A23 G28 A29 L30 L40 I43 L44 I55 Y59 L67 | D22-L26 WeakPolarHBondContact O-CG 3.31Å; D22-L26 PolarHBondContact O-N 3.18Å; A23-L26 PolarHBondContact O-N 3.45Å; L26-G28 PolarHBondContact O-N 2.84Å; L26-A29 PolarHBondContact O-N 2.93Å; L26-L30 WeakPolarHBondContact O-CB 3.26Å; L26-L30 WeakPolarHBondContact O-CG 3.44Å; L26-L30 PolarHBondContact O-N 2.7Å; L26-L40 HydrophobicContact CD2-CD2 3.54Å; L26-I43 HydrophobicContact CD1-CG2 4.3Å; L26-I43 HydrophobicContact CD2-CB 4.09Å; L26-I43 HydrophobicContact CD2-CD1 3.87Å; L26-I43 HydrophobicContact CD2-CG2 4.22Å; L26-I43 HydrophobicContact CG-CD1 4.01Å; L26-I43 HydrophobicContact CG-CG2 4.3Å; L26-L44 HydrophobicContact CD1-CD2 3.87Å; L26-L44 HydrophobicContact CD2-CD2 4.47Å; L26-L44 HydrophobicContact CD2-CG 4.34Å; L26-I55 HydrophobicContact CD1-CG2 3.52Å; L26-Y59 HydrophobicContact CB-CD2 4.47Å; L26-Y59 HydrophobicContact CB-CE2 4.48Å; L26-L67 HydrophobicContact CD1-CD1 4.33Å; L26-L67 HydrophobicContact CD1-CD2 3.87Å |
| 27 | G | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A23 Q24 A29 L30 Q31 | A23-G27 PolarHBondContact O-N 3.12Å; Q24-G27 PolarHBondContact O-N 3.21Å; G27-A29 PolarHBondContact O-N 2.98Å; G27-L30 PolarHBondContact O-N 2.74Å; G27-Q31 WeakPolarHBondContact O-CB 3.41Å; G27-Q31 WeakPolarHBondContact O-CG 3.46Å; G27-Q31 PolarHBondContact O-N 3.21Å; G27-Q31 VanDerWaalsContact O-N 3.15Å |
| 28 | G | 94.9 | Very high | 92.2 | Very high | 49 Ų | 49 | 64.2 Ų | 64.2 | 51% | 0.505 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q24 M25 L26 L30 Q31 | Q24-G28 PolarHBondContact O-N 2.88Å; M25-G28 PolarHBondContact O-N 3.3Å; L26-G28 PolarHBondContact O-N 2.84Å; G28-L30 VanDerWaalsContact C-N 3.32Å; G28-L30 PolarHBondContact O-N 2.94Å; G28-Q31 PolarHBondContact O-N 3.42Å |
| 29 | A | 95.5 | Very high | 92.2 | Very high | 6 Ų | 6 | 64.3 Ų | 64.3 | 5% | 0.05 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.2 | -31.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | M25 L26 G27 C35 D36 M39 L40 | M25-A29 WeakPolarHBondContact O-CB 3.21Å; M25-A29 PolarHBondContact O-N 3.34Å; L26-A29 PolarHBondContact O-N 2.93Å; G27-A29 PolarHBondContact O-N 2.98Å; A29-C35 CarbonylContact O-C 3.59Å; A29-C35 VanDerWaalsContact O-CA 3.31Å; A29-C35 WeakPolarHBondContact O-CA 3.28Å; A29-D36 HydrophobicContact CB-CB 3.92Å; A29-D36 PolarHBondContact O-N 3.47Å; A29-M39 HydrophobicContact CB-CB 3.91Å; A29-M39 HydrophobicContact CB-CG 3.94Å; A29-L40 HydrophobicContact CB-CD2 4.04Å |
| 30 | L | 94.1 | Very high | 92.2 | Very high | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.042 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -88.7 | -19.1 | -178.3 | -69.3 | 166.9 | 0 | 0 | 0 | 113.8 | L26 G27 G28 L40 Y59 L67 D70 L71 Q74 | L26-L30 WeakPolarHBondContact O-CB 3.26Å; L26-L30 WeakPolarHBondContact O-CG 3.44Å; L26-L30 PolarHBondContact O-N 2.7Å; G27-L30 PolarHBondContact O-N 2.74Å; G28-L30 VanDerWaalsContact C-N 3.32Å; G28-L30 PolarHBondContact O-N 2.94Å; L30-L40 HydrophobicContact CD2-CD1 4.27Å; L30-L40 HydrophobicContact CD2-CD2 4.26Å; L30-L40 HydrophobicContact CG-CD2 4.24Å; L30-Y59 HydrophobicContact CD1-CE2 4.21Å; L30-L67 HydrophobicContact CD1-CD1 3.7Å; L30-D70 HydrophobicContact CD1-CB 4.07Å; L30-L71 HydrophobicContact CD2-CD2 4.15Å; L30-Q74 HydrophobicContact CD2-CB 3.99Å; L30-Q74 HydrophobicContact CD2-CG 4.12Å |
| 31 | Q | 82.9 | Confident | 92.2 | Very high | 128 Ų | 128 | 58.5 Ų | 58.5 | 60% | 0.598 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -93.8 | -8.7 | -176.5 | -71.2 | 176.7 | 12.2 | 0 | 0 | 114.9 | G27 G28 | G27-Q31 WeakPolarHBondContact O-CB 3.41Å; G27-Q31 WeakPolarHBondContact O-CG 3.46Å; G27-Q31 PolarHBondContact O-N 3.21Å; G27-Q31 VanDerWaalsContact O-N 3.15Å; G28-Q31 PolarHBondContact O-N 3.42Å |
| 32 | G | 68.6 | Low | 92.1 | Very high | 36 Ų | 36 | 58.2 Ų | 58.2 | 37% | 0.371 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -69 | 155.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y34 | G32-Y34 PolarHBondContact O-N 2.96Å; G32-Y34 VanDerWaalsContact O-N 3.08Å |
| 33 | F | 68.5 | Low | 92.1 | Very high | 218 Ų | 218 | 58.2 Ų | 58.2 | 96% | 0.956 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -52.5 | -30.4 | 172.5 | -99.5 | -83.1 | 0 | 0 | 0 | 112.8 | ||
| 34 | Y | 77.8 | Confident | 92.1 | Very high | 211 Ų | 211 | 58.2 Ų | 58.2 | 83% | 0.827 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -123.4 | 130.3 | 165.4 | -61.2 | -79.3 | 0 | 0 | 0 | 107.7 | G32 D36 | G32-Y34 PolarHBondContact O-N 2.96Å; G32-Y34 VanDerWaalsContact O-N 3.08Å; Y34-D36 PolarHBondContact O-N 3.32Å |
| 35 | C | 89.8 | Confident | 92.1 | Very high | 24 Ų | 24 | 53.7 Ų | 53.7 | 16% | 0.162 | 28% | 0.275 | C | S | . | . | trans | -62.9 | 127.9 | 175.5 | 176.7 | 0 | 0 | 0 | 0 | 110.6 | A29 K37 | A29-C35 CarbonylContact O-C 3.59Å; A29-C35 VanDerWaalsContact O-CA 3.31Å; A29-C35 WeakPolarHBondContact O-CA 3.28Å; C35-K37 PolarHBondContact O-N 3.04Å | ||
| 36 | D | 95 | Very high | 92 | Very high | 74 Ų | 74 | 54.3 Ų | 54.3 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | trans | -77.7 | 84.9 | 176 | -173.5 | -13.8 | 0 | 0 | 0 | 110.4 | A29 Y34 D38 M39 L40 | A29-D36 HydrophobicContact CB-CB 3.92Å; A29-D36 PolarHBondContact O-N 3.47Å; Y34-D36 PolarHBondContact O-N 3.32Å; D36-D38 VanDerWaalsContact C-N 3.29Å; D36-D38 PolarHBondContact O-N 3.46Å; D36-D38 PolarHBondContact OD1-N 3.21Å; D36-M39 HydrophobicContact CB-CB 4.14Å; D36-M39 PolarHBondContact O-N 3.15Å; D36-M39 PolarHBondContact OD1-N 3.38Å; D36-L40 PolarHBondContact O-N 3.02Å | ||
| 37 | K | 96.3 | Very high | 92 | Very high | 58 Ų | 58 | 56.3 Ų | 56.3 | 25% | 0.252 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.7 | -29.7 | -177.8 | -63.7 | -177.4 | 179.5 | 179.8 | 0 | 113.1 | C35 L40 I41 L75 F79 H308 | C35-K37 PolarHBondContact O-N 3.04Å; K37-L40 PolarHBondContact O-N 2.98Å; K37-I41 VanDerWaalsContact O-CG1 3.29Å; K37-I41 WeakPolarHBondContact O-CG1 3.14Å; K37-I41 PolarHBondContact O-N 3.25Å; K37-I41 VanDerWaalsContact O-N 3.09Å; K37-L75 HydrophobicContact CG-CD2 4.38Å; K37-F79 HydrophobicContact CB-CE1 3.75Å; K37-F79 HydrophobicContact CB-CZ 3.77Å; K37-F79 HydrophobicContact CD-CD1 3.91Å; K37-F79 HydrophobicContact CD-CE1 3.72Å; K37-F79 HydrophobicContact CD-CZ 4.45Å; K37-F79 HydrophobicContact CG-CD1 4.28Å; K37-F79 HydrophobicContact CG-CE1 3.59Å; K37-F79 HydrophobicContact CG-CZ 4.16Å; K37-H308 HydrophobicContact CB-CB 4.29Å; K37-H308 WeakPolarHBondContact CB-CD2 3.47Å; K37-H308 HydrophobicContact CD-CB 4.11Å |
| 38 | D | 96.6 | Very high | 92.1 | Very high | 64 Ų | 64 | 56.8 Ų | 56.8 | 34% | 0.342 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -70.4 | -37.5 | 178.4 | -76.2 | -35.9 | 0 | 0 | 0 | 110.3 | D36 I41 N42 H308 K311 | D36-D38 VanDerWaalsContact C-N 3.29Å; D36-D38 PolarHBondContact O-N 3.46Å; D36-D38 PolarHBondContact OD1-N 3.21Å; D38-I41 PolarHBondContact O-N 2.98Å; D38-N42 WeakPolarHBondContact O-CB 3.49Å; D38-N42 PolarHBondContact O-N 2.83Å; D38-N42 PolarHBondContact O-ND2 3.11Å; D38-N42 VanDerWaalsContact O-ND2 3.16Å; D38-H308 IonicContact OD1-CD2 3.12Å; D38-H308 IonicContact OD1-NE2 3.59Å; D38-H308 IonicContact OD2-NE2 3.92Å; D38-K311 IonicContact OD1-NZ 2.8Å; D38-K311 PolarHBondContact OD1-NZ 2.82Å; D38-K311 IonicContact OD2-NZ 3.78Å; D38-K311 PolarHBondContact OD2-NZ 3.3Å |
| 39 | M | 97.5 | Very high | 92.3 | Very high | 58 Ų | 58 | 55.2 Ų | 55.2 | 29% | 0.286 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.3 | -43.2 | 171.4 | -174.2 | 60.5 | 70.7 | 0 | 0 | 112.3 | M25 A29 D36 I41 N42 I43 | M25-M39 HydrophobicContact CB-CG 4.45Å; M25-M39 HydrophobicContact CB-SD 4.18Å; M25-M39 HydrophobicContact SD-SD 4.34Å; A29-M39 HydrophobicContact CB-CB 3.91Å; A29-M39 HydrophobicContact CB-CG 3.94Å; D36-M39 HydrophobicContact CB-CB 4.14Å; D36-M39 PolarHBondContact O-N 3.15Å; D36-M39 PolarHBondContact OD1-N 3.38Å; M39-I41 VanDerWaalsContact C-N 3.34Å; M39-I41 PolarHBondContact O-N 2.91Å; M39-N42 PolarHBondContact O-N 3.41Å; M39-I43 HydrophobicContact CG-CD1 4.05Å; M39-I43 PolarHBondContact O-N 3.06Å; M39-I43 VanDerWaalsContact O-N 3.14Å; M39-I43 HydrophobicContact SD-CD1 3.76Å; M39-I43 HydrophobicContact SD-CG1 4.21Å |
| 40 | L | 98.1 | Very high | 92.4 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59.1 | -46 | 176.3 | -57.2 | -175.4 | 0 | 0 | 0 | 111.4 | L26 A29 L30 D36 K37 I43 L44 L71 L75 F79 M83 | L26-L40 HydrophobicContact CD2-CD2 3.54Å; A29-L40 HydrophobicContact CB-CD2 4.04Å; L30-L40 HydrophobicContact CD2-CD1 4.27Å; L30-L40 HydrophobicContact CD2-CD2 4.26Å; L30-L40 HydrophobicContact CG-CD2 4.24Å; D36-L40 PolarHBondContact O-N 3.02Å; K37-L40 PolarHBondContact O-N 2.98Å; L40-I43 PolarHBondContact O-N 3.28Å; L40-L44 WeakPolarHBondContact O-CB 3.5Å; L40-L44 WeakPolarHBondContact O-CG 3.43Å; L40-L44 PolarHBondContact O-N 3.48Å; L40-L71 HydrophobicContact CD1-CD2 3.9Å; L40-L71 HydrophobicContact CD2-CD2 4.34Å; L40-L75 HydrophobicContact CD1-CD1 3.89Å; L40-L75 HydrophobicContact CD1-CD2 3.88Å; L40-L75 HydrophobicContact CD1-CG 4.36Å; L40-F79 HydrophobicContact CD1-CE1 4.39Å; L40-M83 HydrophobicContact CB-SD 4.01Å |
| 41 | I | 98.3 | Very high | 92.6 | Very high | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.036 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.5 | -50.7 | 178.1 | -66.7 | 164.6 | 0 | 0 | 0 | 110.1 | K37 D38 M39 I43 T45 F79 M83 H308 K311 A312 A315 | K37-I41 VanDerWaalsContact O-CG1 3.29Å; K37-I41 WeakPolarHBondContact O-CG1 3.14Å; K37-I41 PolarHBondContact O-N 3.25Å; K37-I41 VanDerWaalsContact O-N 3.09Å; D38-I41 PolarHBondContact O-N 2.98Å; M39-I41 VanDerWaalsContact C-N 3.34Å; M39-I41 PolarHBondContact O-N 2.91Å; I41-I43 PolarHBondContact O-N 3.36Å; I41-T45 HydrophobicContact CG2-CG2 4.09Å; I41-T45 WeakPolarHBondContact O-CB 3.42Å; I41-T45 WeakPolarHBondContact O-CG2 3.43Å; I41-T45 PolarHBondContact O-N 3.07Å; I41-T45 VanDerWaalsContact O-N 3.07Å; I41-T45 PolarHBondContact O-OG1 2.95Å; I41-F79 HydrophobicContact CD1-CE2 3.73Å; I41-F79 HydrophobicContact CD1-CZ 4.18Å; I41-F79 HydrophobicContact CG1-CE2 3.64Å; I41-F79 HydrophobicContact CG1-CZ 3.94Å; I41-M83 HydrophobicContact CG1-CE 4.26Å; I41-M83 HydrophobicContact CG1-SD 4.49Å; I41-H308 HydrophobicContact CD1-CB 4.28Å; I41-K311 HydrophobicContact CD1-CB 3.84Å; I41-K311 HydrophobicContact CD1-CD 4.47Å; I41-A312 HydrophobicContact CD1-CB 4.36Å; I41-A312 HydrophobicContact CG1-CB 4.11Å; I41-A315 HydrophobicContact CG2-CB 3.79Å |
| 42 | N | 96.3 | Very high | 93.4 | Very high | 102 Ų | 102 | 52 Ų | 52 | 55% | 0.545 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -62.1 | -27.5 | -175.2 | -72.1 | -25.7 | 0 | 0 | 0 | 113.6 | D38 M39 Q46 | D38-N42 WeakPolarHBondContact O-CB 3.49Å; D38-N42 PolarHBondContact O-N 2.83Å; D38-N42 PolarHBondContact O-ND2 3.11Å; D38-N42 VanDerWaalsContact O-ND2 3.16Å; M39-N42 PolarHBondContact O-N 3.41Å; N42-Q46 WeakPolarHBondContact O-CB 3.39Å; N42-Q46 VanDerWaalsContact O-CG 3.22Å; N42-Q46 WeakPolarHBondContact O-CG 3.45Å |
| 43 | I | 97.6 | Very high | 94.8 | Very high | 5 Ų | 5 | 53 Ų | 53 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -91 | -60.2 | 175.9 | -62.7 | 173.5 | 0 | 0 | 0 | 110.1 | D22 M25 L26 M39 L40 I41 T45 Q46 R47 I55 | D22-I43 HydrophobicContact CB-CG2 4.09Å; M25-I43 HydrophobicContact CB-CD1 3.59Å; M25-I43 HydrophobicContact CE-CD1 3.88Å; M25-I43 HydrophobicContact CE-CG1 4.48Å; M25-I43 HydrophobicContact SD-CD1 4.41Å; L26-I43 HydrophobicContact CD1-CG2 4.3Å; L26-I43 HydrophobicContact CD2-CB 4.09Å; L26-I43 HydrophobicContact CD2-CD1 3.87Å; L26-I43 HydrophobicContact CD2-CG2 4.22Å; L26-I43 HydrophobicContact CG-CD1 4.01Å; L26-I43 HydrophobicContact CG-CG2 4.3Å; M39-I43 HydrophobicContact CG-CD1 4.05Å; M39-I43 PolarHBondContact O-N 3.06Å; M39-I43 VanDerWaalsContact O-N 3.14Å; M39-I43 HydrophobicContact SD-CD1 3.76Å; M39-I43 HydrophobicContact SD-CG1 4.21Å; L40-I43 PolarHBondContact O-N 3.28Å; I41-I43 PolarHBondContact O-N 3.36Å; I43-T45 VanDerWaalsContact C-N 3.32Å; I43-T45 PolarHBondContact O-N 2.93Å; I43-Q46 CarbonylContact O-C 3.6Å; I43-Q46 PolarHBondContact O-N 3.42Å; I43-Q46 VanDerWaalsContact O-N 3.07Å; I43-R47 HydrophobicContact CG2-CG 4.36Å; I43-R47 VanDerWaalsContact O-CG 3.26Å; I43-R47 WeakPolarHBondContact O-CG 3.49Å; I43-R47 PolarHBondContact O-N 2.93Å; I43-I55 HydrophobicContact CG2-CD1 4.11Å |
| 44 | L | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -71 | -23.6 | -166.9 | -60.8 | -176.2 | 0 | 0 | 0 | 114 | L26 L40 R52 L71 M83 L86 M87 | L26-L44 HydrophobicContact CD1-CD2 3.87Å; L26-L44 HydrophobicContact CD2-CD2 4.47Å; L26-L44 HydrophobicContact CD2-CG 4.34Å; L40-L44 WeakPolarHBondContact O-CB 3.5Å; L40-L44 WeakPolarHBondContact O-CG 3.43Å; L40-L44 PolarHBondContact O-N 3.48Å; L44-R52 HydrophobicContact CD2-CG 4.43Å; L44-R52 WeakPolarHBondContact O-CD 3.31Å; L44-L71 HydrophobicContact CD1-CD1 4.1Å; L44-L71 HydrophobicContact CD1-CD2 4.36Å; L44-M83 HydrophobicContact CB-SD 4.46Å; L44-M83 HydrophobicContact CD1-SD 4.19Å; L44-L86 HydrophobicContact CB-CD1 4.37Å; L44-M87 HydrophobicContact CD1-SD 4.16Å; L44-M87 HydrophobicContact CD2-SD 3.68Å; L44-M87 HydrophobicContact CG-SD 4.5Å |
| 45 | T | 97.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | -7.8 | 175 | 70.8 | 0 | 0 | 0 | 0 | 113.2 | I11 I41 I43 M83 L86 A315 I316 | I11-T45 WeakPolarHBondContact CD1-O 3.35Å; I41-T45 HydrophobicContact CG2-CG2 4.09Å; I41-T45 WeakPolarHBondContact O-CB 3.42Å; I41-T45 WeakPolarHBondContact O-CG2 3.43Å; I41-T45 PolarHBondContact O-N 3.07Å; I41-T45 VanDerWaalsContact O-N 3.07Å; I41-T45 PolarHBondContact O-OG1 2.95Å; I43-T45 VanDerWaalsContact C-N 3.32Å; I43-T45 PolarHBondContact O-N 2.93Å; T45-M83 HydrophobicContact CG2-CE 4.23Å; T45-L86 HydrophobicContact CG2-CD1 4.02Å; T45-A315 HydrophobicContact CG2-CB 4.15Å; T45-A315 WeakPolarHBondContact OG1-CB 3.47Å; T45-I316 HydrophobicContact CG2-CD1 4.44Å; T45-I316 HydrophobicContact CG2-CG1 3.8Å |
| 46 | Q | 95.4 | Very high | 97.7 | Very high | 92 Ų | 92 | 36.3 Ų | 36.3 | 43% | 0.43 | 19% | 0.193 | S | C | . | . | S | Bend | trans | -118.9 | 19.2 | -175 | -53.5 | -56.8 | -51.8 | 0 | 0 | 112.3 | N42 I43 | N42-Q46 WeakPolarHBondContact O-CB 3.39Å; N42-Q46 VanDerWaalsContact O-CG 3.22Å; N42-Q46 WeakPolarHBondContact O-CG 3.45Å; I43-Q46 CarbonylContact O-C 3.6Å; I43-Q46 PolarHBondContact O-N 3.42Å; I43-Q46 VanDerWaalsContact O-N 3.07Å |
| 47 | R | 97.6 | Very high | 97.9 | Very high | 42 Ų | 42 | 38.9 Ų | 38.9 | 16% | 0.158 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -128.9 | 133.8 | 175.5 | -64.1 | -64 | -179.9 | -76.6 | -10.2 | 108.1 | D22 I43 Q51 R52 I55 | D22-R47 IonicContact OD1-CZ 2.93Å; D22-R47 IonicContact OD1-NE 2.85Å; D22-R47 IonicContact OD1-NH2 3.69Å; D22-R47 PolarHBondContact OD1-NH2 2.79Å; D22-R47 IonicContact OD2-CZ 3.77Å; D22-R47 IonicContact OD2-NE 3.61Å; D22-R47 PolarHBondContact OD2-NE 3.31Å; D22-R47 IonicContact OD2-NH2 3.68Å; D22-R47 PolarHBondContact OD2-NH2 2.89Å; D22-R47 VanDerWaalsContact OD2-NH2 3.15Å; I43-R47 HydrophobicContact CG2-CG 4.36Å; I43-R47 VanDerWaalsContact O-CG 3.26Å; I43-R47 WeakPolarHBondContact O-CG 3.49Å; I43-R47 PolarHBondContact O-N 2.93Å; R47-Q51 HydrophobicContact CB-CB 3.96Å; R47-R52 HydrophobicContact CB-CG 3.99Å; R47-R52 PolarHBondContact O-NE 2.96Å; R47-R52 PolarHBondContact O-NH2 3.18Å; R47-I55 HydrophobicContact CB-CD1 4.39Å; R47-I55 HydrophobicContact CG-CD1 3.92Å |
| 48 | C | 97.9 | Very high | 98 | Very high | 9 Ų | 9 | 36.8 Ų | 36.8 | 6% | 0.061 | 20% | 0.196 | C | C | . | . | trans | -63.5 | 161.8 | 171.5 | 69.8 | 0 | 0 | 0 | 0 | 110.6 | P13 A50 Q51 R52 E279 | P13-C48 HydrophobicContact CG-CB 4.27Å; C48-A50 VanDerWaalsContact C-N 3.28Å; C48-A50 PolarHBondContact O-N 3.4Å; C48-Q51 WeakPolarHBondContact O-CA 3.43Å; C48-Q51 WeakPolarHBondContact O-CB 3.44Å; C48-Q51 PolarHBondContact O-N 3.16Å; C48-Q51 VanDerWaalsContact SG-CG 3.56Å; C48-R52 PolarHBondContact O-N 2.95Å; C48-E279 VanDerWaalsContact CA-OE1 3.25Å; C48-E279 WeakPolarHBondContact CA-OE1 3.35Å; C48-E279 WeakPolarHBondContact CB-OE2 3.31Å | ||
| 49 | N | 98.5 | Very high | 98.1 | Very high | 17 Ų | 17 | 33.8 Ų | 33.8 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -58.7 | -41.7 | -174.2 | -177.6 | -98.6 | 0 | 0 | 0 | 111.5 | Q51 R52 L53 L86 Y88 E279 | N49-Q51 PolarHBondContact O-N 3.3Å; N49-R52 WeakPolarHBondContact O-CA 3.36Å; N49-R52 WeakPolarHBondContact O-CB 3.44Å; N49-R52 PolarHBondContact O-N 3.11Å; N49-L53 WeakPolarHBondContact O-CG 3.31Å; N49-L53 PolarHBondContact O-N 3.35Å; N49-L86 PolarHBondContact ND2-O 3.5Å; N49-Y88 PolarHBondContact ND2-O 2.9Å; N49-E279 PolarHBondContact N-OE1 2.94Å; N49-E279 PolarHBondContact N-OE2 3.39Å |
| 50 | A | 98.4 | Very high | 98.1 | Very high | 57 Ų | 57 | 36.4 Ų | 36.4 | 47% | 0.471 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -56.6 | -38.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C48 M54 | C48-A50 VanDerWaalsContact C-N 3.28Å; C48-A50 PolarHBondContact O-N 3.4Å; A50-M54 WeakPolarHBondContact O-CE 3.26Å; A50-M54 PolarHBondContact O-N 3.42Å |
| 51 | Q | 98.8 | Very high | 98.1 | Very high | 13 Ų | 13 | 41.5 Ų | 41.5 | 6% | 0.061 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -70.8 | -39.5 | 174.5 | -72.2 | 173.2 | -24.2 | 0 | 0 | 112.3 | A14 F17 R47 C48 N49 L53 M54 I55 | A14-Q51 VanDerWaalsContact N-NE2 3.14Å; A14-Q51 PolarHBondContact O-NE2 3.36Å; F17-Q51 VanDerWaalsContact CB-NE2 3.34Å; F17-Q51 HydrophobicContact CD1-CB 4.4Å; F17-Q51 HydrophobicContact CD1-CG 3.77Å; F17-Q51 HydrophobicContact CD2-CB 4.14Å; F17-Q51 HydrophobicContact CD2-CG 4.06Å; F17-Q51 HydrophobicContact CE1-CB 4.06Å; F17-Q51 HydrophobicContact CE1-CG 3.85Å; F17-Q51 HydrophobicContact CE2-CB 3.78Å; F17-Q51 HydrophobicContact CE2-CG 4.14Å; F17-Q51 HydrophobicContact CG-CB 4.41Å; F17-Q51 HydrophobicContact CG-CG 3.86Å; F17-Q51 HydrophobicContact CZ-CB 3.71Å; F17-Q51 HydrophobicContact CZ-CG 4.01Å; F17-Q51 WeakPolarHBondContact CZ-O 3.44Å; R47-Q51 HydrophobicContact CB-CB 3.96Å; C48-Q51 WeakPolarHBondContact O-CA 3.43Å; C48-Q51 WeakPolarHBondContact O-CB 3.44Å; C48-Q51 PolarHBondContact O-N 3.16Å; C48-Q51 VanDerWaalsContact SG-CG 3.56Å; N49-Q51 PolarHBondContact O-N 3.3Å; Q51-L53 VanDerWaalsContact C-N 3.27Å; Q51-L53 PolarHBondContact O-N 3.1Å; Q51-M54 HydrophobicContact CB-CE 4.46Å; Q51-M54 HydrophobicContact CG-CE 3.97Å; Q51-M54 PolarHBondContact O-N 3.04Å; Q51-I55 VanDerWaalsContact O-CG1 3.28Å; Q51-I55 WeakPolarHBondContact O-CG1 3.23Å; Q51-I55 PolarHBondContact O-N 3.2Å |
| 52 | R | 98.8 | Very high | 98 | Very high | 4 Ų | 4 | 44.7 Ų | 44.7 | 2% | 0.015 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59 | -38.6 | 173.9 | -70 | 177 | -108.3 | 160.8 | -9.2 | 111.9 | L44 R47 C48 N49 I55 A56 L86 M87 E279 | L44-R52 HydrophobicContact CD2-CG 4.43Å; L44-R52 WeakPolarHBondContact O-CD 3.31Å; R47-R52 HydrophobicContact CB-CG 3.99Å; R47-R52 PolarHBondContact O-NE 2.96Å; R47-R52 PolarHBondContact O-NH2 3.18Å; C48-R52 PolarHBondContact O-N 2.95Å; N49-R52 WeakPolarHBondContact O-CA 3.36Å; N49-R52 WeakPolarHBondContact O-CB 3.44Å; N49-R52 PolarHBondContact O-N 3.11Å; R52-I55 WeakPolarHBondContact O-CB 3.48Å; R52-I55 PolarHBondContact O-N 2.58Å; R52-A56 PolarHBondContact O-N 3.26Å; R52-L86 WeakPolarHBondContact CD-O 3.32Å; R52-L86 VanDerWaalsContact NH1-C 3.27Å; R52-L86 VanDerWaalsContact NH1-CB 3.27Å; R52-L86 PolarHBondContact NH1-O 2.99Å; R52-M87 HydrophobicContact CB-CE 4.06Å; R52-M87 HydrophobicContact CB-SD 4.02Å; R52-M87 HydrophobicContact CG-SD 4.34Å; R52-M87 WeakPolarHBondContact O-CE 3.48Å; R52-E279 IonicContact CZ-OE1 2.95Å; R52-E279 IonicContact NH2-OE1 2.81Å; R52-E279 PolarHBondContact NH2-OE1 3.48Å |
| 53 | L | 98.6 | Very high | 98 | Very high | 58 Ų | 58 | 43.2 Ų | 43.2 | 30% | 0.304 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 174.9 | -61.4 | 178.9 | 0 | 0 | 0 | 112.1 | N49 Q51 I55 A56 E57 P89 | N49-L53 WeakPolarHBondContact O-CG 3.31Å; N49-L53 PolarHBondContact O-N 3.35Å; Q51-L53 VanDerWaalsContact C-N 3.27Å; Q51-L53 PolarHBondContact O-N 3.1Å; L53-I55 VanDerWaalsContact C-N 3.27Å; L53-I55 PolarHBondContact O-N 3.42Å; L53-A56 WeakPolarHBondContact O-CB 3.45Å; L53-A56 PolarHBondContact O-N 3.21Å; L53-A56 VanDerWaalsContact O-N 3.1Å; L53-E57 PolarHBondContact O-N 2.85Å; L53-P89 HydrophobicContact CD1-CG 4.07Å; L53-P89 HydrophobicContact CD2-CG 3.99Å |
| 54 | M | 98.8 | Very high | 97.9 | Very high | 81 Ų | 81 | 46.1 Ų | 46.1 | 40% | 0.399 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.2 | -35.5 | 173.9 | -70.4 | -174.6 | -86.5 | 0 | 0 | 112.4 | F17 P19 A50 Q51 A58 | F17-M54 HydrophobicContact CD1-CE 4.17Å; F17-M54 HydrophobicContact CE1-CB 3.93Å; F17-M54 HydrophobicContact CE1-CE 3.62Å; F17-M54 HydrophobicContact CE1-SD 3.91Å; F17-M54 HydrophobicContact CZ-CB 3.96Å; F17-M54 HydrophobicContact CZ-CE 4.47Å; P19-M54 HydrophobicContact CB-CB 4.04Å; A50-M54 WeakPolarHBondContact O-CE 3.26Å; A50-M54 PolarHBondContact O-N 3.42Å; Q51-M54 HydrophobicContact CB-CE 4.46Å; Q51-M54 HydrophobicContact CG-CE 3.97Å; Q51-M54 PolarHBondContact O-N 3.04Å; M54-A58 WeakPolarHBondContact O-CB 3.38Å; M54-A58 PolarHBondContact O-N 3.4Å; M54-A58 VanDerWaalsContact O-N 3.07Å |
| 55 | I | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.8 | -44.1 | 173.3 | -66.4 | 161.3 | 0 | 0 | 0 | 110.7 | F17 D22 A23 L26 I43 R47 Q51 R52 L53 E57 A58 Y59 L67 | F17-I55 HydrophobicContact CE2-CD1 3.83Å; F17-I55 HydrophobicContact CE2-CG1 3.71Å; F17-I55 HydrophobicContact CZ-CD1 4.34Å; F17-I55 HydrophobicContact CZ-CG1 3.84Å; D22-I55 HydrophobicContact CB-CD1 3.77Å; D22-I55 HydrophobicContact CB-CG1 3.74Å; D22-I55 HydrophobicContact CB-CG2 4.35Å; A23-I55 HydrophobicContact CB-CG2 4.28Å; L26-I55 HydrophobicContact CD1-CG2 3.52Å; I43-I55 HydrophobicContact CG2-CD1 4.11Å; R47-I55 HydrophobicContact CB-CD1 4.39Å; R47-I55 HydrophobicContact CG-CD1 3.92Å; Q51-I55 VanDerWaalsContact O-CG1 3.28Å; Q51-I55 WeakPolarHBondContact O-CG1 3.23Å; Q51-I55 PolarHBondContact O-N 3.2Å; R52-I55 WeakPolarHBondContact O-CB 3.48Å; R52-I55 PolarHBondContact O-N 2.58Å; L53-I55 VanDerWaalsContact C-N 3.27Å; L53-I55 PolarHBondContact O-N 3.42Å; I55-E57 VanDerWaalsContact C-N 3.35Å; I55-E57 PolarHBondContact O-N 3.17Å; I55-A58 PolarHBondContact O-N 3.33Å; I55-Y59 VanDerWaalsContact O-CB 3.3Å; I55-Y59 WeakPolarHBondContact O-CB 3.28Å; I55-Y59 PolarHBondContact O-N 3.35Å; I55-L67 HydrophobicContact CG2-CD2 4.13Å |
| 56 | A | 98.6 | Very high | 97.7 | Very high | 20 Ų | 20 | 55 Ų | 55 | 17% | 0.165 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.2 | -42.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R52 L53 Y59 Q60 L67 M87 | R52-A56 PolarHBondContact O-N 3.26Å; L53-A56 WeakPolarHBondContact O-CB 3.45Å; L53-A56 PolarHBondContact O-N 3.21Å; L53-A56 VanDerWaalsContact O-N 3.1Å; A56-Y59 PolarHBondContact O-N 3.13Å; A56-Q60 PolarHBondContact O-N 3.38Å; A56-L67 HydrophobicContact CB-CB 4.45Å; A56-L67 HydrophobicContact CB-CD2 4.33Å; A56-M87 HydrophobicContact CB-CE 3.94Å |
| 57 | E | 98.6 | Very high | 97.9 | Very high | 128 Ų | 128 | 50.6 Ų | 50.6 | 60% | 0.598 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -62.3 | -44.7 | 174.9 | -69.8 | 176 | 179.3 | 0 | 0 | 112.5 | L53 I55 Q60 S61 | L53-E57 PolarHBondContact O-N 2.85Å; I55-E57 VanDerWaalsContact C-N 3.35Å; I55-E57 PolarHBondContact O-N 3.17Å; E57-Q60 PolarHBondContact O-N 2.82Å; E57-S61 WeakPolarHBondContact O-CB 3.41Å; E57-S61 PolarHBondContact O-N 3.16Å; E57-S61 PolarHBondContact O-OG 2.91Å |
| 58 | A | 98.6 | Very high | 97.8 | Very high | 14 Ų | 14 | 50.2 Ų | 50.2 | 12% | 0.116 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | P19 I20 A23 M54 I55 Q60 S61 M62 | P19-A58 HydrophobicContact CB-CB 4.11Å; I20-A58 HydrophobicContact CG1-CB 4.44Å; A23-A58 HydrophobicContact CB-CB 3.88Å; M54-A58 WeakPolarHBondContact O-CB 3.38Å; M54-A58 PolarHBondContact O-N 3.4Å; M54-A58 VanDerWaalsContact O-N 3.07Å; I55-A58 PolarHBondContact O-N 3.33Å; A58-Q60 PolarHBondContact O-N 2.93Å; A58-S61 PolarHBondContact O-N 3.43Å; A58-M62 WeakPolarHBondContact O-CB 3.31Å; A58-M62 WeakPolarHBondContact O-CG 3.45Å; A58-M62 PolarHBondContact O-N 3.5Å |
| 59 | Y | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 0% | 0.004 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.5 | -46.6 | 176.6 | -171.7 | -85.3 | 0 | 0 | 0 | 111.5 | L26 L30 I55 A56 S61 M62 Y63 R65 L67 D70 | L26-Y59 HydrophobicContact CB-CD2 4.47Å; L26-Y59 HydrophobicContact CB-CE2 4.48Å; L30-Y59 HydrophobicContact CD1-CE2 4.21Å; I55-Y59 VanDerWaalsContact O-CB 3.3Å; I55-Y59 WeakPolarHBondContact O-CB 3.28Å; I55-Y59 PolarHBondContact O-N 3.35Å; A56-Y59 PolarHBondContact O-N 3.13Å; Y59-S61 PolarHBondContact O-N 3.46Å; Y59-M62 PolarHBondContact O-N 2.95Å; Y59-Y63 HydrophobicContact CD1-CD2 4.12Å; Y59-Y63 AromaticContact CD2-CD2 3.64Å; Y59-Y63 HydrophobicContact CD2-CD2 3.64Å; Y59-Y63 AromaticContact CD2-CE2 3.79Å; Y59-Y63 HydrophobicContact CD2-CE2 3.79Å; Y59-Y63 HydrophobicContact CE1-CD2 4.16Å; Y59-Y63 AromaticContact CE2-CD2 3.68Å; Y59-Y63 HydrophobicContact CE2-CD2 3.68Å; Y59-Y63 AromaticContact CE2-CE2 3.86Å; Y59-Y63 HydrophobicContact CE2-CE2 3.86Å; Y59-Y63 AromaticContact CG-CD2 3.87Å; Y59-Y63 HydrophobicContact CG-CD2 3.87Å; Y59-Y63 HydrophobicContact CG-CE2 4.41Å; Y59-Y63 AromaticContact CZ-CD2 3.93Å; Y59-Y63 WeakPolarHBondContact O-CD2 3.13Å; Y59-Y63 PolarHBondContact O-N 3.13Å; Y59-R65 HydrophobicContact CE1-CB 4.07Å; Y59-L67 HydrophobicContact CD1-CB 3.73Å; Y59-L67 HydrophobicContact CD1-CD1 4.35Å; Y59-L67 HydrophobicContact CD2-CD1 3.95Å; Y59-L67 HydrophobicContact CE1-CB 4.22Å; Y59-L67 HydrophobicContact CE1-CD1 4.33Å; Y59-L67 HydrophobicContact CE2-CD1 3.91Å; Y59-L67 HydrophobicContact CG-CB 3.94Å; Y59-L67 HydrophobicContact CG-CD1 4.17Å; Y59-L67 HydrophobicContact CG-CG 4.43Å; Y59-D70 VanDerWaalsContact CE1-OD2 3.32Å; Y59-D70 WeakPolarHBondContact CE1-OD2 3.44Å; Y59-D70 PolarHBondContact OH-OD2 3.01Å |
| 60 | Q | 98 | Very high | 97.7 | Very high | 113 Ų | 113 | 50.3 Ų | 50.3 | 53% | 0.528 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63 | -42.4 | 177.3 | -173.6 | 172.4 | 24.8 | 0 | 0 | 112.1 | A56 E57 A58 M62 G64 R65 | A56-Q60 PolarHBondContact O-N 3.38Å; E57-Q60 PolarHBondContact O-N 2.82Å; A58-Q60 PolarHBondContact O-N 2.93Å; Q60-M62 VanDerWaalsContact C-N 3.28Å; Q60-M62 PolarHBondContact O-N 3.31Å; Q60-G64 VanDerWaalsContact O-CA 3.23Å; Q60-G64 WeakPolarHBondContact O-CA 3.19Å; Q60-G64 PolarHBondContact O-N 3.17Å; Q60-R65 VanDerWaalsContact CA-O 3.28Å; Q60-R65 WeakPolarHBondContact CA-O 3.25Å |
| 61 | S | 98 | Very high | 97.7 | Very high | 107 Ų | 107 | 47.6 Ų | 47.6 | 75% | 0.748 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63.4 | -35 | 178 | -59.4 | 0 | 0 | 0 | 0 | 112.6 | E57 A58 Y59 | E57-S61 WeakPolarHBondContact O-CB 3.41Å; E57-S61 PolarHBondContact O-N 3.16Å; E57-S61 PolarHBondContact O-OG 2.91Å; A58-S61 PolarHBondContact O-N 3.43Å; Y59-S61 PolarHBondContact O-N 3.46Å |
| 62 | M | 96.8 | Very high | 97.6 | Very high | 75 Ų | 75 | 51.4 Ų | 51.4 | 37% | 0.369 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -82.4 | -42.2 | -176.5 | -74 | -173.5 | 62.5 | 0 | 0 | 113.8 | I20 A23 Q24 A58 Y59 Q60 | I20-M62 HydrophobicContact CG2-SD 3.89Å; A23-M62 HydrophobicContact CB-SD 4.24Å; Q24-M62 HydrophobicContact CB-CE 4.46Å; Q24-M62 HydrophobicContact CG-CE 3.2Å; Q24-M62 HydrophobicContact CG-SD 3.91Å; A58-M62 WeakPolarHBondContact O-CB 3.31Å; A58-M62 WeakPolarHBondContact O-CG 3.45Å; A58-M62 PolarHBondContact O-N 3.5Å; Y59-M62 PolarHBondContact O-N 2.95Å; Q60-M62 VanDerWaalsContact C-N 3.28Å; Q60-M62 PolarHBondContact O-N 3.31Å |
| 63 | Y | 95.8 | Very high | 97.4 | Very high | 70 Ų | 70 | 57.5 Ų | 57.5 | 28% | 0.275 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -110.2 | -10.6 | -170.2 | -59.2 | -68.4 | 0 | 0 | 0 | 113.4 | Q24 Y59 R65 | Q24-Y63 WeakPolarHBondContact CA-OH 3.2Å; Y59-Y63 HydrophobicContact CD1-CD2 4.12Å; Y59-Y63 AromaticContact CD2-CD2 3.64Å; Y59-Y63 HydrophobicContact CD2-CD2 3.64Å; Y59-Y63 AromaticContact CD2-CE2 3.79Å; Y59-Y63 HydrophobicContact CD2-CE2 3.79Å; Y59-Y63 HydrophobicContact CE1-CD2 4.16Å; Y59-Y63 AromaticContact CE2-CD2 3.68Å; Y59-Y63 HydrophobicContact CE2-CD2 3.68Å; Y59-Y63 AromaticContact CE2-CE2 3.86Å; Y59-Y63 HydrophobicContact CE2-CE2 3.86Å; Y59-Y63 AromaticContact CG-CD2 3.87Å; Y59-Y63 HydrophobicContact CG-CD2 3.87Å; Y59-Y63 HydrophobicContact CG-CE2 4.41Å; Y59-Y63 AromaticContact CZ-CD2 3.93Å; Y59-Y63 WeakPolarHBondContact O-CD2 3.13Å; Y59-Y63 PolarHBondContact O-N 3.13Å; Y63-R65 PolarHBondContact O-N 3.06Å |
| 64 | G | 96.6 | Very high | 97.2 | Very high | 67 Ų | 67 | 58.9 Ų | 58.9 | 69% | 0.691 | 31% | 0.313 | S | S | * | . | S | Bend | trans | 64.8 | 18.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q60 | Q60-G64 VanDerWaalsContact O-CA 3.23Å; Q60-G64 WeakPolarHBondContact O-CA 3.19Å; Q60-G64 PolarHBondContact O-N 3.17Å |
| 65 | R | 95.6 | Very high | 97.1 | Very high | 106 Ų | 106 | 55.4 Ų | 55.4 | 40% | 0.4 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -121.4 | 153.3 | -176.2 | -67.5 | -178.3 | 65.5 | 140.7 | 7.9 | 110.8 | Y59 Q60 Y63 D70 E73 | Y59-R65 HydrophobicContact CE1-CB 4.07Å; Q60-R65 VanDerWaalsContact CA-O 3.28Å; Q60-R65 WeakPolarHBondContact CA-O 3.25Å; Y63-R65 PolarHBondContact O-N 3.06Å; R65-D70 IonicContact CZ-OD1 3.1Å; R65-D70 IonicContact CZ-OD2 3.61Å; R65-D70 VanDerWaalsContact NE-CG 3.25Å; R65-D70 IonicContact NE-OD1 3.1Å; R65-D70 PolarHBondContact NE-OD1 3.31Å; R65-D70 IonicContact NE-OD2 3.24Å; R65-D70 PolarHBondContact NE-OD2 3.13Å; R65-D70 IonicContact NH2-OD1 2.66Å; R65-D70 PolarHBondContact NH2-OD1 3.48Å; R65-D70 IonicContact NH2-OD2 3.76Å; R65-E73 IonicContact NH2-OE2 3.06Å; R65-E73 PolarHBondContact NH2-OE2 3.48Å |
| 66 | D | 96.1 | Very high | 96.9 | Very high | 80 Ų | 80 | 58 Ų | 58 | 43% | 0.428 | 31% | 0.314 | S | S | . | . | trans | -84.7 | 123.1 | 173.9 | 174.5 | 44.4 | 0 | 0 | 0 | 110.3 | I68 G69 D70 | D66-I68 VanDerWaalsContact C-N 3.29Å; D66-I68 PolarHBondContact O-N 3.37Å; D66-G69 PolarHBondContact O-N 2.75Å; D66-G69 PolarHBondContact OD2-N 2.95Å; D66-D70 PolarHBondContact O-N 3.38Å | ||
| 67 | L | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 62.6 Ų | 62.6 | 1% | 0.005 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.7 | -38.7 | -179.2 | 177.3 | 57 | 0 | 0 | 0 | 111.5 | L26 L30 I55 A56 Y59 D70 L71 M87 | L26-L67 HydrophobicContact CD1-CD1 4.33Å; L26-L67 HydrophobicContact CD1-CD2 3.87Å; L30-L67 HydrophobicContact CD1-CD1 3.7Å; I55-L67 HydrophobicContact CG2-CD2 4.13Å; A56-L67 HydrophobicContact CB-CB 4.45Å; A56-L67 HydrophobicContact CB-CD2 4.33Å; Y59-L67 HydrophobicContact CD1-CB 3.73Å; Y59-L67 HydrophobicContact CD1-CD1 4.35Å; Y59-L67 HydrophobicContact CD2-CD1 3.95Å; Y59-L67 HydrophobicContact CE1-CB 4.22Å; Y59-L67 HydrophobicContact CE1-CD1 4.33Å; Y59-L67 HydrophobicContact CE2-CD1 3.91Å; Y59-L67 HydrophobicContact CG-CB 3.94Å; Y59-L67 HydrophobicContact CG-CD1 4.17Å; Y59-L67 HydrophobicContact CG-CG 4.43Å; L67-D70 PolarHBondContact O-N 3.5Å; L67-L71 HydrophobicContact CD1-CD1 4.37Å; L67-L71 HydrophobicContact CD1-CG 4.27Å; L67-L71 HydrophobicContact CG-CD1 4.22Å; L67-L71 VanDerWaalsContact O-CG 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.37Å; L67-L71 PolarHBondContact O-N 3.08Å; L67-M87 HydrophobicContact CD2-CE 3.65Å; L67-M87 HydrophobicContact CD2-SD 4.49Å; L67-M87 HydrophobicContact CG-CE 4.37Å |
| 68 | I | 97.4 | Very high | 96.8 | Very high | 33 Ų | 33 | 59.7 Ų | 59.7 | 17% | 0.169 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.5 | -42.8 | 178.8 | -64.4 | 175.9 | 0 | 0 | 0 | 110.4 | D66 L71 K72 V84 M87 | D66-I68 VanDerWaalsContact C-N 3.29Å; D66-I68 PolarHBondContact O-N 3.37Å; I68-L71 PolarHBondContact O-N 3.29Å; I68-K72 HydrophobicContact CG2-CD 4.14Å; I68-K72 WeakPolarHBondContact O-CG 3.3Å; I68-K72 PolarHBondContact O-N 2.93Å; I68-V84 HydrophobicContact CG2-CG1 4.22Å; I68-M87 HydrophobicContact CD1-CB 3.79Å; I68-M87 HydrophobicContact CG1-CB 3.61Å; I68-M87 HydrophobicContact CG1-CG 4.18Å |
| 69 | G | 96.8 | Very high | 96.7 | Very high | 20 Ų | 20 | 59.5 Ų | 59.5 | 21% | 0.206 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.7 | -50.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D66 L71 K72 E73 | D66-G69 PolarHBondContact O-N 2.75Å; D66-G69 PolarHBondContact OD2-N 2.95Å; G69-L71 PolarHBondContact O-N 3.47Å; G69-K72 WeakPolarHBondContact O-CB 3.4Å; G69-K72 PolarHBondContact O-N 3.24Å; G69-K72 VanDerWaalsContact O-N 3.09Å; G69-E73 WeakPolarHBondContact O-CG 3.43Å; G69-E73 PolarHBondContact O-N 3.2Å |
| 70 | D | 96.6 | Very high | 96.7 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 5% | 0.048 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 179.7 | -69.6 | 1.6 | 0 | 0 | 0 | 112 | L30 Y59 R65 D66 L67 K72 E73 Q74 | L30-D70 HydrophobicContact CD1-CB 4.07Å; Y59-D70 VanDerWaalsContact CE1-OD2 3.32Å; Y59-D70 WeakPolarHBondContact CE1-OD2 3.44Å; Y59-D70 PolarHBondContact OH-OD2 3.01Å; R65-D70 IonicContact CZ-OD1 3.1Å; R65-D70 IonicContact CZ-OD2 3.61Å; R65-D70 VanDerWaalsContact NE-CG 3.25Å; R65-D70 IonicContact NE-OD1 3.1Å; R65-D70 PolarHBondContact NE-OD1 3.31Å; R65-D70 IonicContact NE-OD2 3.24Å; R65-D70 PolarHBondContact NE-OD2 3.13Å; R65-D70 IonicContact NH2-OD1 2.66Å; R65-D70 PolarHBondContact NH2-OD1 3.48Å; R65-D70 IonicContact NH2-OD2 3.76Å; D66-D70 PolarHBondContact O-N 3.38Å; L67-D70 PolarHBondContact O-N 3.5Å; D70-K72 VanDerWaalsContact C-N 3.31Å; D70-K72 PolarHBondContact O-N 3.09Å; D70-E73 PolarHBondContact O-N 2.96Å; D70-Q74 WeakPolarHBondContact O-CB 3.42Å; D70-Q74 VanDerWaalsContact O-CG 3.31Å; D70-Q74 WeakPolarHBondContact O-CG 3.22Å; D70-Q74 PolarHBondContact O-N 3.13Å |
| 71 | L | 97.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.6 | -40.6 | 173.2 | -71.1 | 169 | 0 | 0 | 0 | 111.7 | L30 L40 L44 L67 I68 G69 L75 M83 V84 M87 | L30-L71 HydrophobicContact CD2-CD2 4.15Å; L40-L71 HydrophobicContact CD1-CD2 3.9Å; L40-L71 HydrophobicContact CD2-CD2 4.34Å; L44-L71 HydrophobicContact CD1-CD1 4.1Å; L44-L71 HydrophobicContact CD1-CD2 4.36Å; L67-L71 HydrophobicContact CD1-CD1 4.37Å; L67-L71 HydrophobicContact CD1-CG 4.27Å; L67-L71 HydrophobicContact CG-CD1 4.22Å; L67-L71 VanDerWaalsContact O-CG 3.25Å; L67-L71 WeakPolarHBondContact O-CG 3.37Å; L67-L71 PolarHBondContact O-N 3.08Å; I68-L71 PolarHBondContact O-N 3.29Å; G69-L71 PolarHBondContact O-N 3.47Å; L71-L75 HydrophobicContact CB-CD1 4.38Å; L71-L75 HydrophobicContact CD2-CD1 3.8Å; L71-L75 WeakPolarHBondContact O-CB 3.43Å; L71-L75 VanDerWaalsContact O-CG 3.28Å; L71-L75 WeakPolarHBondContact O-CG 3.46Å; L71-L75 PolarHBondContact O-N 3.34Å; L71-L75 VanDerWaalsContact O-N 3.1Å; L71-M83 HydrophobicContact CD2-CB 4.37Å; L71-V84 HydrophobicContact CB-CG2 3.93Å; L71-M87 HydrophobicContact CD1-CG 3.75Å |
| 72 | K | 96.6 | Very high | 96.8 | Very high | 92 Ų | 92 | 55.2 Ų | 55.2 | 40% | 0.4 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -67.6 | -34.9 | 178 | -74.6 | 172 | 179 | 172.3 | 0 | 112.7 | I68 G69 D70 V84 Y88 | I68-K72 HydrophobicContact CG2-CD 4.14Å; I68-K72 WeakPolarHBondContact O-CG 3.3Å; I68-K72 PolarHBondContact O-N 2.93Å; G69-K72 WeakPolarHBondContact O-CB 3.4Å; G69-K72 PolarHBondContact O-N 3.24Å; G69-K72 VanDerWaalsContact O-N 3.09Å; D70-K72 VanDerWaalsContact C-N 3.31Å; D70-K72 PolarHBondContact O-N 3.09Å; K72-V84 HydrophobicContact CG-CG1 4.34Å; K72-V84 HydrophobicContact CG-CG2 3.75Å; K72-Y88 PolarHBondContact NZ-OH 3.17Å |
| 73 | E | 95.1 | Very high | 96.9 | Very high | 132 Ų | 132 | 51.7 Ų | 51.7 | 62% | 0.617 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -75 | -42.2 | 178.5 | -73.3 | 179 | -178.4 | 0 | 0 | 112.6 | R65 G69 D70 | R65-E73 IonicContact NH2-OE2 3.06Å; R65-E73 PolarHBondContact NH2-OE2 3.48Å; G69-E73 WeakPolarHBondContact O-CG 3.43Å; G69-E73 PolarHBondContact O-N 3.2Å; D70-E73 PolarHBondContact O-N 2.96Å |
| 74 | Q | 95.4 | Very high | 97 | Very high | 87 Ų | 87 | 48.9 Ų | 48.9 | 41% | 0.407 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -89.3 | -19.4 | -171.6 | -62.4 | -55 | -45 | 0 | 0 | 114 | L30 D70 | L30-Q74 HydrophobicContact CD2-CB 3.99Å; L30-Q74 HydrophobicContact CD2-CG 4.12Å; D70-Q74 WeakPolarHBondContact O-CB 3.42Å; D70-Q74 VanDerWaalsContact O-CG 3.31Å; D70-Q74 WeakPolarHBondContact O-CG 3.22Å; D70-Q74 PolarHBondContact O-N 3.13Å |
| 75 | L | 96 | Very high | 97.1 | Very high | 9 Ų | 9 | 45.8 Ų | 45.8 | 5% | 0.047 | 23% | 0.229 | C | C | . | . | trans | -109.2 | 157.7 | -176.2 | -52.9 | -178.7 | 0 | 0 | 0 | 112.1 | K37 L40 L71 F79 K80 M83 | K37-L75 HydrophobicContact CG-CD2 4.38Å; L40-L75 HydrophobicContact CD1-CD1 3.89Å; L40-L75 HydrophobicContact CD1-CD2 3.88Å; L40-L75 HydrophobicContact CD1-CG 4.36Å; L71-L75 HydrophobicContact CB-CD1 4.38Å; L71-L75 HydrophobicContact CD2-CD1 3.8Å; L71-L75 WeakPolarHBondContact O-CB 3.43Å; L71-L75 VanDerWaalsContact O-CG 3.28Å; L71-L75 WeakPolarHBondContact O-CG 3.46Å; L71-L75 PolarHBondContact O-N 3.34Å; L71-L75 VanDerWaalsContact O-N 3.1Å; L75-F79 HydrophobicContact CD1-CD1 4.09Å; L75-F79 HydrophobicContact CD1-CE1 3.88Å; L75-F79 HydrophobicContact CD2-CD1 3.96Å; L75-F79 HydrophobicContact CD2-CE1 3.71Å; L75-F79 HydrophobicContact CG-CD1 4.42Å; L75-F79 HydrophobicContact CG-CE1 4.37Å; L75-K80 HydrophobicContact CB-CB 3.63Å; L75-K80 HydrophobicContact CB-CG 4.04Å; L75-K80 WeakPolarHBondContact O-CD 3.44Å; L75-M83 HydrophobicContact CD1-CB 3.67Å; L75-M83 HydrophobicContact CD1-CG 3.72Å | ||
| 76 | S | 95 | Very high | 97.2 | Very high | 54 Ų | 54 | 40.8 Ų | 40.8 | 38% | 0.378 | 21% | 0.21 | S | C | . | . | trans | -128.6 | 163.4 | 177 | 71.6 | 0 | 0 | 0 | 0 | 111.9 | K80 | S76-K80 PolarHBondContact O-N 3.12Å; S76-K80 VanDerWaalsContact O-N 3.12Å | ||
| 77 | D | 96.1 | Very high | 97.4 | Very high | 117 Ų | 117 | 37 Ų | 37 | 63% | 0.626 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | 52.8 | -151.3 | 168.6 | -44.6 | -55.5 | 0 | 0 | 0 | 113.6 | F79 K80 D81 | D77-F79 PolarHBondContact O-N 3.02Å; D77-K80 WeakPolarHBondContact O-CB 3.25Å; D77-K80 PolarHBondContact O-N 3.06Å; D77-K80 VanDerWaalsContact O-N 3.09Å; D77-D81 PolarHBondContact O-N 2.99Å |
| 78 | H | 97.7 | Very high | 97.4 | Very high | 66 Ų | 66 | 38.1 Ų | 38.1 | 31% | 0.306 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.9 | -23 | -175.5 | -59.1 | -41.2 | 0 | 0 | 0 | 114.3 | D81 V82 N267 I271 Y309 | H78-D81 IonicContact ND1-OD2 3.26Å; H78-D81 PolarHBondContact ND1-OD2 3.34Å; H78-D81 PolarHBondContact O-N 3.31Å; H78-V82 WeakPolarHBondContact O-CG2 3.16Å; H78-V82 PolarHBondContact O-N 3.43Å; H78-V82 VanDerWaalsContact O-N 3.07Å; H78-N267 PolarHBondContact NE2-ND2 2.95Å; H78-I271 HydrophobicContact CB-CD1 4.05Å; H78-Y309 HydrophobicContact CB-CD1 4.11Å; H78-Y309 HydrophobicContact CB-CD2 3.68Å; H78-Y309 HydrophobicContact CB-CE1 4.11Å; H78-Y309 HydrophobicContact CB-CE2 3.71Å; H78-Y309 HydrophobicContact CB-CG 3.88Å |
| 79 | F | 98.1 | Very high | 97.4 | Very high | 10 Ų | 10 | 38.2 Ų | 38.2 | 4% | 0.044 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.6 | -41.1 | 172.7 | -178.2 | -110.9 | 0 | 0 | 0 | 111.5 | K37 L40 I41 L75 D77 D81 V82 M83 H308 A312 | K37-F79 HydrophobicContact CB-CE1 3.75Å; K37-F79 HydrophobicContact CB-CZ 3.77Å; K37-F79 HydrophobicContact CD-CD1 3.91Å; K37-F79 HydrophobicContact CD-CE1 3.72Å; K37-F79 HydrophobicContact CD-CZ 4.45Å; K37-F79 HydrophobicContact CG-CD1 4.28Å; K37-F79 HydrophobicContact CG-CE1 3.59Å; K37-F79 HydrophobicContact CG-CZ 4.16Å; L40-F79 HydrophobicContact CD1-CE1 4.39Å; I41-F79 HydrophobicContact CD1-CE2 3.73Å; I41-F79 HydrophobicContact CD1-CZ 4.18Å; I41-F79 HydrophobicContact CG1-CE2 3.64Å; I41-F79 HydrophobicContact CG1-CZ 3.94Å; L75-F79 HydrophobicContact CD1-CD1 4.09Å; L75-F79 HydrophobicContact CD1-CE1 3.88Å; L75-F79 HydrophobicContact CD2-CD1 3.96Å; L75-F79 HydrophobicContact CD2-CE1 3.71Å; L75-F79 HydrophobicContact CG-CD1 4.42Å; L75-F79 HydrophobicContact CG-CE1 4.37Å; D77-F79 PolarHBondContact O-N 3.02Å; F79-D81 VanDerWaalsContact C-N 3.34Å; F79-V82 PolarHBondContact O-N 3.47Å; F79-M83 HydrophobicContact CD1-CG 4.35Å; F79-M83 HydrophobicContact CD2-CG 4.34Å; F79-M83 HydrophobicContact CE1-CG 3.87Å; F79-M83 HydrophobicContact CE2-CE 3.86Å; F79-M83 HydrophobicContact CE2-CG 3.85Å; F79-M83 HydrophobicContact CE2-SD 4.02Å; F79-M83 HydrophobicContact CZ-CE 4.34Å; F79-M83 HydrophobicContact CZ-CG 3.6Å; F79-M83 HydrophobicContact CZ-SD 3.87Å; F79-M83 WeakPolarHBondContact O-CG 3.34Å; F79-M83 PolarHBondContact O-N 3.14Å; F79-M83 VanDerWaalsContact O-N 3.07Å; F79-H308 HydrophobicContact CD1-CB 4.45Å; F79-H308 VanDerWaalsContact CD2-C 3.46Å; F79-H308 HydrophobicContact CD2-CB 3.69Å; F79-H308 VanDerWaalsContact CD2-O 3.25Å; F79-H308 WeakPolarHBondContact CD2-O 3.5Å; F79-H308 HydrophobicContact CE2-CB 3.77Å; F79-H308 WeakPolarHBondContact CE2-O 3.28Å; F79-H308 HydrophobicContact CG-CB 4.04Å; F79-H308 HydrophobicContact CZ-CB 4.18Å; F79-A312 HydrophobicContact CD2-CB 4.2Å; F79-A312 HydrophobicContact CE2-CB 4.03Å |
| 80 | K | 98.2 | Very high | 97.4 | Very high | 66 Ų | 66 | 41.1 Ų | 41.1 | 29% | 0.287 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -59.7 | -47.1 | 171.5 | 177.7 | -176.5 | 57.4 | -175.8 | 0 | 110.6 | L75 S76 D77 V82 M83 V84 | L75-K80 HydrophobicContact CB-CB 3.63Å; L75-K80 HydrophobicContact CB-CG 4.04Å; L75-K80 WeakPolarHBondContact O-CD 3.44Å; S76-K80 PolarHBondContact O-N 3.12Å; S76-K80 VanDerWaalsContact O-N 3.12Å; D77-K80 WeakPolarHBondContact O-CB 3.25Å; D77-K80 PolarHBondContact O-N 3.06Å; D77-K80 VanDerWaalsContact O-N 3.09Å; K80-V82 VanDerWaalsContact C-N 3.26Å; K80-V82 PolarHBondContact O-N 2.97Å; K80-M83 PolarHBondContact O-N 3.49Å; K80-V84 HydrophobicContact CG-CG2 3.85Å; K80-V84 VanDerWaalsContact O-CB 3.26Å; K80-V84 WeakPolarHBondContact O-CB 3.41Å; K80-V84 WeakPolarHBondContact O-CG2 3.04Å; K80-V84 PolarHBondContact O-N 3.12Å |
| 81 | D | 98.4 | Very high | 97.5 | Very high | 66 Ų | 66 | 41.9 Ų | 41.9 | 35% | 0.353 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -56.9 | -41.9 | -177.9 | -60.3 | -23.6 | 0 | 0 | 0 | 111 | D77 H78 F79 G85 I271 | D77-D81 PolarHBondContact O-N 2.99Å; H78-D81 IonicContact ND1-OD2 3.26Å; H78-D81 PolarHBondContact ND1-OD2 3.34Å; H78-D81 PolarHBondContact O-N 3.31Å; F79-D81 VanDerWaalsContact C-N 3.34Å; D81-G85 PolarHBondContact O-N 3.35Å; D81-I271 HydrophobicContact CB-CD1 3.93Å |
| 82 | V | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.1 | -53.9 | 175.7 | -178.6 | 0 | 0 | 0 | 0 | 112 | H78 F79 K80 V84 G85 L86 I271 Y309 A312 L313 I316 | H78-V82 WeakPolarHBondContact O-CG2 3.16Å; H78-V82 PolarHBondContact O-N 3.43Å; H78-V82 VanDerWaalsContact O-N 3.07Å; F79-V82 PolarHBondContact O-N 3.47Å; K80-V82 VanDerWaalsContact C-N 3.26Å; K80-V82 PolarHBondContact O-N 2.97Å; V82-V84 VanDerWaalsContact C-N 3.32Å; V82-V84 PolarHBondContact O-N 3.01Å; V82-G85 PolarHBondContact O-N 2.78Å; V82-L86 HydrophobicContact CG1-CD1 4.16Å; V82-L86 VanDerWaalsContact O-CG 3.29Å; V82-L86 WeakPolarHBondContact O-CG 3.46Å; V82-L86 PolarHBondContact O-N 3.17Å; V82-I271 HydrophobicContact CG2-CB 4.49Å; V82-I271 HydrophobicContact CG2-CD1 4.09Å; V82-I271 HydrophobicContact CG2-CG1 3.8Å; V82-I271 HydrophobicContact CG2-CG2 4.01Å; V82-Y309 HydrophobicContact CG2-CD2 3.85Å; V82-Y309 HydrophobicContact CG2-CE2 3.73Å; V82-A312 HydrophobicContact CG1-CB 4.02Å; V82-L313 HydrophobicContact CG2-CD2 3.79Å; V82-I316 HydrophobicContact CG1-CD1 3.71Å |
| 83 | M | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.5 | -40.2 | -175.4 | -66.2 | -61.8 | 101.6 | 0 | 0 | 112 | L40 I41 L44 T45 L71 L75 F79 K80 L86 M87 A312 | L40-M83 HydrophobicContact CB-SD 4.01Å; I41-M83 HydrophobicContact CG1-CE 4.26Å; I41-M83 HydrophobicContact CG1-SD 4.49Å; L44-M83 HydrophobicContact CB-SD 4.46Å; L44-M83 HydrophobicContact CD1-SD 4.19Å; T45-M83 HydrophobicContact CG2-CE 4.23Å; L71-M83 HydrophobicContact CD2-CB 4.37Å; L75-M83 HydrophobicContact CD1-CB 3.67Å; L75-M83 HydrophobicContact CD1-CG 3.72Å; F79-M83 HydrophobicContact CD1-CG 4.35Å; F79-M83 HydrophobicContact CD2-CG 4.34Å; F79-M83 HydrophobicContact CE1-CG 3.87Å; F79-M83 HydrophobicContact CE2-CE 3.86Å; F79-M83 HydrophobicContact CE2-CG 3.85Å; F79-M83 HydrophobicContact CE2-SD 4.02Å; F79-M83 HydrophobicContact CZ-CE 4.34Å; F79-M83 HydrophobicContact CZ-CG 3.6Å; F79-M83 HydrophobicContact CZ-SD 3.87Å; F79-M83 WeakPolarHBondContact O-CG 3.34Å; F79-M83 PolarHBondContact O-N 3.14Å; F79-M83 VanDerWaalsContact O-N 3.07Å; K80-M83 PolarHBondContact O-N 3.49Å; M83-L86 HydrophobicContact CE-CD1 4.05Å; M83-M87 WeakPolarHBondContact O-CG 3.49Å; M83-A312 HydrophobicContact CE-CB 3.58Å |
| 84 | V | 98.6 | Very high | 97.8 | Very high | 11 Ų | 11 | 35 Ų | 35 | 7% | 0.067 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -71.3 | -45.7 | 177.6 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | I68 L71 K72 K80 V82 L86 M87 Y88 | I68-V84 HydrophobicContact CG2-CG1 4.22Å; L71-V84 HydrophobicContact CB-CG2 3.93Å; K72-V84 HydrophobicContact CG-CG1 4.34Å; K72-V84 HydrophobicContact CG-CG2 3.75Å; K80-V84 HydrophobicContact CG-CG2 3.85Å; K80-V84 VanDerWaalsContact O-CB 3.26Å; K80-V84 WeakPolarHBondContact O-CB 3.41Å; K80-V84 WeakPolarHBondContact O-CG2 3.04Å; K80-V84 PolarHBondContact O-N 3.12Å; V82-V84 VanDerWaalsContact C-N 3.32Å; V82-V84 PolarHBondContact O-N 3.01Å; V84-L86 VanDerWaalsContact C-N 3.25Å; V84-L86 PolarHBondContact O-N 2.96Å; V84-M87 WeakPolarHBondContact O-CB 3.46Å; V84-M87 PolarHBondContact O-N 3.43Å; V84-Y88 HydrophobicContact CG1-CD2 4.43Å; V84-Y88 HydrophobicContact CG1-CE2 3.8Å; V84-Y88 WeakPolarHBondContact O-CD2 3.42Å |
| 85 | G | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 30.8 Ų | 30.8 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -58.5 | -37.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | D81 V82 M87 Y88 | D81-G85 PolarHBondContact O-N 3.35Å; V82-G85 PolarHBondContact O-N 2.78Å; G85-M87 PolarHBondContact O-N 3.32Å; G85-Y88 PolarHBondContact O-N 3.34Å |
| 86 | L | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.6 | -27.8 | 173.4 | -72.3 | 170.6 | 0 | 0 | 0 | 112.5 | L44 T45 N49 R52 V82 M83 V84 Y88 I275 I316 | L44-L86 HydrophobicContact CB-CD1 4.37Å; T45-L86 HydrophobicContact CG2-CD1 4.02Å; N49-L86 PolarHBondContact ND2-O 3.5Å; R52-L86 WeakPolarHBondContact CD-O 3.32Å; R52-L86 VanDerWaalsContact NH1-C 3.27Å; R52-L86 VanDerWaalsContact NH1-CB 3.27Å; R52-L86 PolarHBondContact NH1-O 2.99Å; V82-L86 HydrophobicContact CG1-CD1 4.16Å; V82-L86 VanDerWaalsContact O-CG 3.29Å; V82-L86 WeakPolarHBondContact O-CG 3.46Å; V82-L86 PolarHBondContact O-N 3.17Å; M83-L86 HydrophobicContact CE-CD1 4.05Å; V84-L86 VanDerWaalsContact C-N 3.25Å; V84-L86 PolarHBondContact O-N 2.96Å; L86-Y88 VanDerWaalsContact C-N 3.32Å; L86-Y88 PolarHBondContact O-N 3.4Å; L86-I275 HydrophobicContact CD2-CG1 4.07Å; L86-I275 HydrophobicContact CD2-CG2 4.38Å; L86-I275 HydrophobicContact CG-CD1 4.41Å; L86-I275 HydrophobicContact CG-CG1 4.33Å; L86-I316 HydrophobicContact CD1-CD1 4.15Å; L86-I316 HydrophobicContact CD2-CD1 4.05Å; L86-I316 HydrophobicContact CD2-CG1 4.43Å; L86-I316 HydrophobicContact CG-CD1 4.45Å |
| 87 | M | 98.6 | Very high | 98.2 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.005 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -80.4 | -13.3 | -178.2 | -61 | -54.6 | -60.7 | 0 | 0 | 113.9 | L44 R52 A56 L67 I68 L71 M83 V84 G85 | L44-M87 HydrophobicContact CD1-SD 4.16Å; L44-M87 HydrophobicContact CD2-SD 3.68Å; L44-M87 HydrophobicContact CG-SD 4.5Å; R52-M87 HydrophobicContact CB-CE 4.06Å; R52-M87 HydrophobicContact CB-SD 4.02Å; R52-M87 HydrophobicContact CG-SD 4.34Å; R52-M87 WeakPolarHBondContact O-CE 3.48Å; A56-M87 HydrophobicContact CB-CE 3.94Å; L67-M87 HydrophobicContact CD2-CE 3.65Å; L67-M87 HydrophobicContact CD2-SD 4.49Å; L67-M87 HydrophobicContact CG-CE 4.37Å; I68-M87 HydrophobicContact CD1-CB 3.79Å; I68-M87 HydrophobicContact CG1-CB 3.61Å; I68-M87 HydrophobicContact CG1-CG 4.18Å; L71-M87 HydrophobicContact CD1-CG 3.75Å; M83-M87 WeakPolarHBondContact O-CG 3.49Å; V84-M87 WeakPolarHBondContact O-CB 3.46Å; V84-M87 PolarHBondContact O-N 3.43Å; G85-M87 PolarHBondContact O-N 3.32Å |
| 88 | Y | 97.8 | Very high | 98.3 | Very high | 25 Ų | 25 | 25.1 Ų | 25.1 | 10% | 0.098 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -76.8 | 134.2 | 179.9 | -82 | -94 | 0 | 0 | 0 | 111.4 | N49 K72 V84 G85 L86 L92 Y93 H96 | N49-Y88 PolarHBondContact ND2-O 2.9Å; K72-Y88 PolarHBondContact NZ-OH 3.17Å; V84-Y88 HydrophobicContact CG1-CD2 4.43Å; V84-Y88 HydrophobicContact CG1-CE2 3.8Å; V84-Y88 WeakPolarHBondContact O-CD2 3.42Å; G85-Y88 PolarHBondContact O-N 3.34Å; L86-Y88 VanDerWaalsContact C-N 3.32Å; L86-Y88 PolarHBondContact O-N 3.4Å; Y88-L92 HydrophobicContact CD1-CB 3.85Å; Y88-Y93 HydrophobicContact CD2-CD2 4.34Å; Y88-Y93 HydrophobicContact CG-CD2 4.23Å; Y88-H96 HydrophobicContact CE1-CB 4.33Å |
| 89 | P | 98.1 | Very high | 98.4 | Very high | 34 Ų | 34 | 24.6 Ų | 24.6 | 22% | 0.221 | 13% | 0.128 | C | C | . | . | trans | -56.9 | 145.5 | 162 | -18.5 | 28.5 | 0 | 0 | 0 | 110.3 | L53 L92 Y93 | L53-P89 HydrophobicContact CD1-CG 4.07Å; L53-P89 HydrophobicContact CD2-CG 3.99Å; P89-L92 HydrophobicContact CB-CD1 4.07Å; P89-L92 HydrophobicContact CG-CD1 4.15Å; P89-L92 HydrophobicContact CG-CD2 4.36Å; P89-L92 PolarHBondContact O-N 3.34Å; P89-Y93 PolarHBondContact O-N 2.92Å | ||
| 90 | P | 97.8 | Very high | 98.3 | Very high | 81 Ų | 81 | 28 Ų | 28 | 53% | 0.526 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -52.4 | -44.9 | -171.5 | -24.9 | 31.4 | 0 | 0 | 0 | 115.1 | L92 Y93 D94 | P90-L92 VanDerWaalsContact C-N 3.34Å; P90-L92 PolarHBondContact O-N 2.94Å; P90-Y93 PolarHBondContact O-N 3.5Å; P90-D94 PolarHBondContact O-N 3.24Å |
| 91 | P | 98.3 | Very high | 98.3 | Very high | 25 Ų | 25 | 25 Ų | 25 | 16% | 0.162 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65.2 | -35 | 177.9 | -22 | 34.7 | 0 | 0 | 0 | 113.7 | A95 Q126 A130 | P91-A95 WeakPolarHBondContact O-CB 3.49Å; P91-A95 PolarHBondContact O-N 3.05Å; P91-A95 VanDerWaalsContact O-N 3.08Å; P91-Q126 HydrophobicContact CB-CB 3.87Å; P91-Q126 HydrophobicContact CG-CB 3.81Å; P91-A130 HydrophobicContact CB-CB 4.09Å |
| 92 | L | 98.3 | Very high | 98.2 | Very high | 62 Ų | 62 | 22.4 Ų | 22.4 | 33% | 0.325 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -73.7 | -31.6 | 176.9 | -77.9 | 74.8 | 0 | 0 | 0 | 111.1 | Y88 P89 P90 H96 A130 | Y88-L92 HydrophobicContact CD1-CB 3.85Å; P89-L92 HydrophobicContact CB-CD1 4.07Å; P89-L92 HydrophobicContact CG-CD1 4.15Å; P89-L92 HydrophobicContact CG-CD2 4.36Å; P89-L92 PolarHBondContact O-N 3.34Å; P90-L92 VanDerWaalsContact C-N 3.34Å; P90-L92 PolarHBondContact O-N 2.94Å; L92-H96 VanDerWaalsContact O-CB 3.24Å; L92-H96 WeakPolarHBondContact O-CB 3.3Å; L92-H96 PolarHBondContact O-N 3.05Å; L92-A130 HydrophobicContact CD1-CB 3.91Å; L92-A130 HydrophobicContact CG-CB 4.06Å |
| 93 | Y | 98.6 | Very high | 98 | Very high | 7 Ų | 7 | 28.3 Ų | 28.3 | 3% | 0.027 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67 | -46.8 | 175.1 | -169.3 | -124.8 | 0 | 0 | 0 | 111.1 | Y88 P89 P90 A95 H96 E97 R272 I275 A276 | Y88-Y93 HydrophobicContact CD2-CD2 4.34Å; Y88-Y93 HydrophobicContact CG-CD2 4.23Å; P89-Y93 PolarHBondContact O-N 2.92Å; P90-Y93 PolarHBondContact O-N 3.5Å; Y93-A95 VanDerWaalsContact C-N 3.34Å; Y93-A95 PolarHBondContact O-N 3.13Å; Y93-H96 WeakPolarHBondContact O-CB 3.28Å; Y93-H96 PolarHBondContact O-N 2.65Å; Y93-H96 VanDerWaalsContact O-N 3.16Å; Y93-E97 HydrophobicContact CD2-CG 4.48Å; Y93-E97 HydrophobicContact CE1-CG 4.21Å; Y93-E97 HydrophobicContact CE2-CG 4.05Å; Y93-E97 WeakPolarHBondContact CE2-OE1 3.33Å; Y93-E97 VanDerWaalsContact CZ-OE1 3.3Å; Y93-E97 WeakPolarHBondContact O-CG 3.36Å; Y93-E97 PolarHBondContact O-N 2.83Å; Y93-E97 PolarHBondContact OH-OE1 3.22Å; Y93-R272 HydrophobicContact CE1-CG 4.21Å; Y93-R272 WeakPolarHBondContact OH-CA 3.48Å; Y93-I275 HydrophobicContact CD1-CG2 3.88Å; Y93-I275 HydrophobicContact CE1-CB 3.87Å; Y93-I275 HydrophobicContact CE1-CG2 3.62Å; Y93-A276 HydrophobicContact CD1-CB 4.47Å |
| 94 | D | 98.6 | Very high | 97.6 | Very high | 10 Ų | 10 | 31.1 Ų | 31.1 | 5% | 0.053 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 175.4 | -73.8 | -22.9 | 0 | 0 | 0 | 111.7 | P90 H96 E97 L98 I115 R119 M127 | P90-D94 PolarHBondContact O-N 3.24Å; D94-H96 VanDerWaalsContact C-N 3.3Å; D94-H96 PolarHBondContact O-N 3.14Å; D94-E97 PolarHBondContact O-N 3.13Å; D94-L98 WeakPolarHBondContact O-CG 3.39Å; D94-L98 PolarHBondContact O-N 3.15Å; D94-I115 HydrophobicContact CB-CG2 4.32Å; D94-R119 IonicContact OD1-CZ 3.73Å; D94-R119 IonicContact OD1-NE 2.76Å; D94-R119 PolarHBondContact OD1-NE 3.48Å; D94-R119 IonicContact OD1-NH2 2.88Å; D94-R119 PolarHBondContact OD1-NH2 3.32Å; D94-R119 IonicContact OD2-CZ 3.77Å; D94-R119 IonicContact OD2-NE 3.47Å; D94-R119 PolarHBondContact OD2-NE 2.9Å; D94-R119 IonicContact OD2-NH2 3.47Å; D94-M127 HydrophobicContact CB-CB 4.48Å; D94-M127 HydrophobicContact CB-CG 3.76Å; D94-M127 HydrophobicContact CB-SD 3.61Å |
| 95 | A | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -40.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P91 Y93 W99 M127 A130 Y131 | P91-A95 WeakPolarHBondContact O-CB 3.49Å; P91-A95 PolarHBondContact O-N 3.05Å; P91-A95 VanDerWaalsContact O-N 3.08Å; Y93-A95 VanDerWaalsContact C-N 3.34Å; Y93-A95 PolarHBondContact O-N 3.13Å; A95-W99 WeakPolarHBondContact O-CB 3.17Å; A95-W99 PolarHBondContact O-N 3.23Å; A95-M127 HydrophobicContact CB-CG 4.47Å; A95-A130 HydrophobicContact CB-CB 4.16Å; A95-Y131 HydrophobicContact CB-CD2 3.98Å; A95-Y131 HydrophobicContact CB-CG 4.4Å; A95-Y131 WeakPolarHBondContact O-CD2 3.22Å |
| 96 | H | 98.1 | Very high | 96.7 | Very high | 33 Ų | 33 | 40.6 Ų | 40.6 | 15% | 0.153 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -47.5 | 176.2 | -179.2 | 79 | 0 | 0 | 0 | 112.1 | Y88 L92 Y93 D94 W99 H100 Y135 | Y88-H96 HydrophobicContact CE1-CB 4.33Å; L92-H96 VanDerWaalsContact O-CB 3.24Å; L92-H96 WeakPolarHBondContact O-CB 3.3Å; L92-H96 PolarHBondContact O-N 3.05Å; Y93-H96 WeakPolarHBondContact O-CB 3.28Å; Y93-H96 PolarHBondContact O-N 2.65Å; Y93-H96 VanDerWaalsContact O-N 3.16Å; D94-H96 VanDerWaalsContact C-N 3.3Å; D94-H96 PolarHBondContact O-N 3.14Å; H96-W99 PolarHBondContact O-N 3.3Å; H96-H100 AromaticContact CD2-CD2 3.79Å; H96-H100 AromaticContact CE1-CD2 3.19Å; H96-H100 PolarHBondContact CE1-CD2 3.33Å; H96-H100 AromaticContact CE1-NE2 3.05Å; H96-H100 PolarHBondContact CE1-NE2 3.31Å; H96-H100 AromaticContact CG-CD2 3.92Å; H96-H100 AromaticContact ND1-CD2 3.56Å; H96-H100 AromaticContact ND1-NE2 3.69Å; H96-H100 AromaticContact NE2-CD2 3.34Å; H96-H100 PolarHBondContact NE2-CD2 3.1Å; H96-H100 VanDerWaalsContact NE2-CD2 3.34Å; H96-H100 AromaticContact NE2-NE2 3.56Å; H96-H100 WeakPolarHBondContact O-CB 3.41Å; H96-H100 PolarHBondContact O-CD2 2.88Å; H96-H100 VanDerWaalsContact O-CD2 3.26Å; H96-H100 PolarHBondContact O-N 2.8Å; H96-Y135 WeakPolarHBondContact CA-OH 3.25Å; H96-Y135 PolarHBondContact ND1-OH 3.47Å |
| 97 | E | 98.6 | Very high | 96.6 | Very high | 28 Ų | 28 | 41.8 Ų | 41.8 | 13% | 0.131 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.1 | -42.1 | 179.2 | -68.9 | -70.9 | 142.3 | 0 | 0 | 111.9 | Y93 D94 H100 A101 I115 R272 | Y93-E97 HydrophobicContact CD2-CG 4.48Å; Y93-E97 HydrophobicContact CE1-CG 4.21Å; Y93-E97 HydrophobicContact CE2-CG 4.05Å; Y93-E97 WeakPolarHBondContact CE2-OE1 3.33Å; Y93-E97 VanDerWaalsContact CZ-OE1 3.3Å; Y93-E97 WeakPolarHBondContact O-CG 3.36Å; Y93-E97 PolarHBondContact O-N 2.83Å; Y93-E97 PolarHBondContact OH-OE1 3.22Å; D94-E97 PolarHBondContact O-N 3.13Å; E97-H100 PolarHBondContact O-N 3.01Å; E97-A101 VanDerWaalsContact O-CB 3.3Å; E97-A101 WeakPolarHBondContact O-CB 3.46Å; E97-A101 PolarHBondContact O-N 3.05Å; E97-I115 HydrophobicContact CB-CD1 3.78Å; E97-R272 HydrophobicContact CG-CG 3.92Å; E97-R272 WeakPolarHBondContact OE2-CD 3.26Å; E97-R272 IonicContact OE2-NH1 3.5Å; E97-R272 PolarHBondContact OE2-NH1 2.85Å; E97-R272 VanDerWaalsContact OE2-NH1 3.1Å |
| 98 | L | 98.5 | Very high | 96.5 | Very high | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.7 | -42.7 | 176.3 | -71.7 | 178.2 | 0 | 0 | 0 | 112.3 | D94 H100 A101 M102 L112 I115 L116 M127 Y131 L139 | D94-L98 WeakPolarHBondContact O-CG 3.39Å; D94-L98 PolarHBondContact O-N 3.15Å; L98-H100 VanDerWaalsContact C-N 3.32Å; L98-H100 PolarHBondContact O-N 3.28Å; L98-A101 WeakPolarHBondContact O-CB 3.32Å; L98-A101 PolarHBondContact O-N 3.48Å; L98-M102 HydrophobicContact CB-CE 4.45Å; L98-M102 WeakPolarHBondContact O-CE 3.49Å; L98-M102 PolarHBondContact O-N 3.38Å; L98-M102 VanDerWaalsContact O-N 3.13Å; L98-L112 HydrophobicContact CD2-CD2 3.47Å; L98-L112 VanDerWaalsContact CD2-CD2 3.47Å; L98-I115 HydrophobicContact CD1-CG2 4.08Å; L98-I115 HydrophobicContact CD2-CB 4.09Å; L98-I115 HydrophobicContact CD2-CD1 3.79Å; L98-I115 HydrophobicContact CD2-CG1 4.49Å; L98-I115 HydrophobicContact CD2-CG2 4.26Å; L98-I115 HydrophobicContact CG-CD1 3.79Å; L98-I115 HydrophobicContact CG-CG2 4.24Å; L98-L116 HydrophobicContact CD1-CD2 4.37Å; L98-M127 HydrophobicContact CD1-CE 3.69Å; L98-M127 HydrophobicContact CD1-CG 4.31Å; L98-M127 HydrophobicContact CD1-SD 3.37Å; L98-M127 WeakPolarHBondContact CD1-SD 3.43Å; L98-M127 HydrophobicContact CG-SD 4.46Å; L98-Y131 HydrophobicContact CB-CE2 4.28Å; L98-L139 HydrophobicContact CB-CD1 4.14Å; L98-L139 HydrophobicContact CD1-CD1 3.86Å; L98-L139 HydrophobicContact CD1-CD2 3.84Å |
| 99 | W | 98.2 | Very high | 96.5 | Very high | 55 Ų | 55 | 44 Ų | 44 | 21% | 0.208 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.2 | -43 | 178.1 | -176.4 | 86 | 0 | 0 | 0 | 110.9 | A95 H96 A101 M102 K103 Y131 Y135 | A95-W99 WeakPolarHBondContact O-CB 3.17Å; A95-W99 PolarHBondContact O-N 3.23Å; H96-W99 PolarHBondContact O-N 3.3Å; W99-A101 VanDerWaalsContact C-N 3.31Å; W99-A101 PolarHBondContact O-N 2.96Å; W99-M102 PolarHBondContact O-N 3.1Å; W99-K103 HydrophobicContact CD2-CB 4.38Å; W99-K103 HydrophobicContact CD2-CD 4.26Å; W99-K103 HydrophobicContact CE3-CB 4.36Å; W99-K103 HydrophobicContact CE3-CD 3.85Å; W99-K103 HydrophobicContact CH2-CD 3.3Å; W99-K103 HydrophobicContact CZ2-CD 3.6Å; W99-K103 HydrophobicContact CZ3-CD 3.37Å; W99-K103 WeakPolarHBondContact O-CB 3.38Å; W99-K103 PolarHBondContact O-N 3.46Å; W99-Y131 HydrophobicContact CB-CD2 4.48Å; W99-Y131 HydrophobicContact CB-CE2 3.62Å; W99-Y131 AromaticContact CD1-CZ 3.81Å; W99-Y131 HydrophobicContact CG-CE2 4.39Å; W99-Y135 HydrophobicContact CB-CD1 4.43Å; W99-Y135 HydrophobicContact CB-CD2 3.9Å; W99-Y135 HydrophobicContact CB-CE1 4.09Å; W99-Y135 HydrophobicContact CB-CE2 3.53Å; W99-Y135 HydrophobicContact CB-CG 4.33Å; W99-Y135 AromaticContact CD1-CD1 3.55Å; W99-Y135 AromaticContact CD1-CD2 3.88Å; W99-Y135 AromaticContact CD1-CE1 3.94Å; W99-Y135 AromaticContact CD1-CG 3.5Å; W99-Y135 VanDerWaalsContact CD1-CG 3.5Å; W99-Y135 AromaticContact CD2-CD1 3.66Å; W99-Y135 HydrophobicContact CD2-CD1 3.66Å; W99-Y135 AromaticContact CD2-CE1 3.33Å; W99-Y135 HydrophobicContact CD2-CE1 3.33Å; W99-Y135 HydrophobicContact CD2-CE2 4.45Å; W99-Y135 HydrophobicContact CD2-CG 4.31Å; W99-Y135 AromaticContact CD2-CZ 3.77Å; W99-Y135 AromaticContact CE2-CD1 3.47Å; W99-Y135 VanDerWaalsContact CE2-CD1 3.47Å; W99-Y135 AromaticContact CE2-CE1 3.58Å; W99-Y135 HydrophobicContact CE3-CD1 4.36Å; W99-Y135 AromaticContact CE3-CE1 3.62Å; W99-Y135 HydrophobicContact CE3-CE1 3.62Å; W99-Y135 AromaticContact CE3-CZ 3.97Å; W99-Y135 AromaticContact CG-CD1 3.67Å; W99-Y135 HydrophobicContact CG-CD1 3.67Å; W99-Y135 AromaticContact CG-CD2 3.92Å; W99-Y135 HydrophobicContact CG-CD2 3.92Å; W99-Y135 AromaticContact CG-CE1 3.55Å; W99-Y135 HydrophobicContact CG-CE1 3.55Å; W99-Y135 AromaticContact CG-CE2 3.83Å; W99-Y135 HydrophobicContact CG-CE2 3.83Å; W99-Y135 AromaticContact CG-CG 3.83Å; W99-Y135 HydrophobicContact CG-CG 3.83Å; W99-Y135 AromaticContact CG-CZ 3.62Å; W99-Y135 HydrophobicContact CH2-CD1 4.46Å; W99-Y135 HydrophobicContact CH2-CE1 4.08Å; W99-Y135 AromaticContact CZ2-CD1 3.93Å; W99-Y135 HydrophobicContact CZ2-CD1 3.93Å; W99-Y135 AromaticContact CZ2-CE1 3.98Å; W99-Y135 HydrophobicContact CZ2-CE1 3.98Å; W99-Y135 AromaticContact CZ3-CE1 3.97Å; W99-Y135 HydrophobicContact CZ3-CE1 3.97Å; W99-Y135 AromaticContact NE1-CD1 3.48Å; W99-Y135 AromaticContact NE1-CG 3.8Å |
| 100 | H | 96.8 | Very high | 96.4 | Very high | 80 Ų | 80 | 44.2 Ų | 44.2 | 37% | 0.37 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -70.4 | -25.4 | 176.5 | -83.5 | -70.6 | 0 | 0 | 0 | 113.9 | H96 E97 L98 M102 | H96-H100 AromaticContact CD2-CD2 3.79Å; H96-H100 AromaticContact CE1-CD2 3.19Å; H96-H100 PolarHBondContact CE1-CD2 3.33Å; H96-H100 AromaticContact CE1-NE2 3.05Å; H96-H100 PolarHBondContact CE1-NE2 3.31Å; H96-H100 AromaticContact CG-CD2 3.92Å; H96-H100 AromaticContact ND1-CD2 3.56Å; H96-H100 AromaticContact ND1-NE2 3.69Å; H96-H100 AromaticContact NE2-CD2 3.34Å; H96-H100 PolarHBondContact NE2-CD2 3.1Å; H96-H100 VanDerWaalsContact NE2-CD2 3.34Å; H96-H100 AromaticContact NE2-NE2 3.56Å; H96-H100 WeakPolarHBondContact O-CB 3.41Å; H96-H100 PolarHBondContact O-CD2 2.88Å; H96-H100 VanDerWaalsContact O-CD2 3.26Å; H96-H100 PolarHBondContact O-N 2.8Å; E97-H100 PolarHBondContact O-N 3.01Å; L98-H100 VanDerWaalsContact C-N 3.32Å; L98-H100 PolarHBondContact O-N 3.28Å; H100-M102 VanDerWaalsContact C-N 3.32Å |
| 101 | A | 97.6 | Very high | 96.4 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 4% | 0.041 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.7 | -29.6 | 173 | 0 | 0 | 0 | 0 | 0 | 112.6 | E97 L98 W99 T107 D108 C111 L112 | E97-A101 VanDerWaalsContact O-CB 3.3Å; E97-A101 WeakPolarHBondContact O-CB 3.46Å; E97-A101 PolarHBondContact O-N 3.05Å; L98-A101 WeakPolarHBondContact O-CB 3.32Å; L98-A101 PolarHBondContact O-N 3.48Å; W99-A101 VanDerWaalsContact C-N 3.31Å; W99-A101 PolarHBondContact O-N 2.96Å; A101-T107 CarbonylContact O-C 3.5Å; A101-T107 WeakPolarHBondContact O-CA 3.46Å; A101-D108 HydrophobicContact CB-CB 3.89Å; A101-D108 PolarHBondContact O-N 3.4Å; A101-C111 HydrophobicContact CB-CB 3.68Å; A101-L112 HydrophobicContact CB-CD2 4.35Å |
| 102 | M | 97.6 | Very high | 96.4 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 5% | 0.049 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -101.2 | -15.2 | -177.9 | -73.3 | -173.7 | -59.9 | 0 | 0 | 113.2 | L98 W99 H100 T107 L112 Y131 L139 D142 I143 E146 | L98-M102 HydrophobicContact CB-CE 4.45Å; L98-M102 WeakPolarHBondContact O-CE 3.49Å; L98-M102 PolarHBondContact O-N 3.38Å; L98-M102 VanDerWaalsContact O-N 3.13Å; W99-M102 PolarHBondContact O-N 3.1Å; H100-M102 VanDerWaalsContact C-N 3.32Å; M102-T107 HydrophobicContact CG-CG2 4.42Å; M102-L112 HydrophobicContact CG-CD1 4.43Å; M102-L112 HydrophobicContact CG-CD2 4.02Å; M102-L112 HydrophobicContact SD-CD2 4.07Å; M102-Y131 HydrophobicContact CE-CE2 4.3Å; M102-Y131 WeakPolarHBondContact CE-OH 3.25Å; M102-L139 HydrophobicContact CE-CD1 3.72Å; M102-D142 HydrophobicContact CE-CB 3.78Å; M102-D142 HydrophobicContact SD-CB 4.11Å; M102-I143 HydrophobicContact CE-CG1 4.19Å; M102-I143 HydrophobicContact SD-CB 4.4Å; M102-I143 HydrophobicContact SD-CG1 3.79Å; M102-E146 HydrophobicContact CB-CB 4.43Å; M102-E146 HydrophobicContact CB-CG 3.81Å; M102-E146 HydrophobicContact CG-CB 4.11Å; M102-E146 HydrophobicContact CG-CG 4.02Å; M102-E146 HydrophobicContact SD-CB 4.32Å; M102-E146 HydrophobicContact SD-CG 4.34Å |
| 103 | K | 93.8 | Very high | 96.4 | Very high | 124 Ų | 124 | 36.3 Ų | 36.3 | 54% | 0.539 | 21% | 0.211 | S | C | . | . | S | Bend | trans | -82.6 | 124.1 | -179.7 | -178.6 | -175.2 | -175.8 | -175.6 | 0 | 111.9 | W99 | W99-K103 HydrophobicContact CD2-CB 4.38Å; W99-K103 HydrophobicContact CD2-CD 4.26Å; W99-K103 HydrophobicContact CE3-CB 4.36Å; W99-K103 HydrophobicContact CE3-CD 3.85Å; W99-K103 HydrophobicContact CH2-CD 3.3Å; W99-K103 HydrophobicContact CZ2-CD 3.6Å; W99-K103 HydrophobicContact CZ3-CD 3.37Å; W99-K103 WeakPolarHBondContact O-CB 3.38Å; W99-K103 PolarHBondContact O-N 3.46Å |
| 104 | G | 90 | Very high | 96.4 | Very high | 59 Ų | 59 | 36 Ų | 36 | 61% | 0.608 | 21% | 0.21 | S | C | * | . | S | Bend | trans | 116.7 | -147 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 105 | V | 86.1 | Confident | 96.5 | Very high | 161 Ų | 161 | 35.5 Ų | 35.5 | 98% | 0.976 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -90.3 | 116.6 | 176 | 177.9 | 0 | 0 | 0 | 0 | 108.4 | ||
| 106 | G | 91.8 | Very high | 96.5 | Very high | 52 Ų | 52 | 35.6 Ų | 35.6 | 54% | 0.536 | 21% | 0.207 | S | C | . | . | S | Bend | trans | 83.7 | 174.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 107 | T | 96.4 | Very high | 96.5 | Very high | 26 Ų | 26 | 34.1 Ų | 34.1 | 16% | 0.16 | 20% | 0.201 | C | C | . | . | trans | -124.2 | 142.7 | -176.3 | -54.1 | 0 | 0 | 0 | 0 | 108.6 | A101 M102 E109 L112 E146 | A101-T107 CarbonylContact O-C 3.5Å; A101-T107 WeakPolarHBondContact O-CA 3.46Å; M102-T107 HydrophobicContact CG-CG2 4.42Å; T107-E109 HydrophobicContact CG2-CG 4.27Å; T107-E109 PolarHBondContact O-N 2.94Å; T107-L112 HydrophobicContact CG2-CD1 3.69Å; T107-L112 HydrophobicContact CG2-CG 4.48Å; T107-E146 HydrophobicContact CG2-CB 4.49Å; T107-E146 PolarHBondContact OG1-O 2.9Å | ||
| 108 | D | 96.6 | Very high | 96.5 | Very high | 32 Ų | 32 | 32.8 Ų | 32.8 | 17% | 0.171 | 20% | 0.195 | C | C | . | . | trans | -90.5 | 82.7 | 166.8 | -177.4 | -11.7 | 0 | 0 | 0 | 108.4 | A101 N110 C111 L112 | A101-D108 HydrophobicContact CB-CB 3.89Å; A101-D108 PolarHBondContact O-N 3.4Å; D108-N110 PolarHBondContact O-N 3.44Å; D108-N110 WeakPolarHBondContact OD1-CB 3.36Å; D108-N110 PolarHBondContact OD1-N 3.43Å; D108-C111 HydrophobicContact CB-CB 4.11Å; D108-C111 WeakPolarHBondContact O-CB 3.34Å; D108-C111 PolarHBondContact O-N 3.33Å; D108-C111 VanDerWaalsContact O-N 3.14Å; D108-C111 PolarHBondContact OD1-N 3.49Å; D108-L112 PolarHBondContact O-N 3.43Å | ||
| 109 | E | 97.6 | Very high | 96.4 | Very high | 41 Ų | 41 | 33.4 Ų | 33.4 | 19% | 0.192 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62 | -30.5 | -178.4 | -61.8 | 89.5 | 171.2 | 0 | 0 | 111.9 | T107 C111 L112 I113 F151 Y233 | T107-E109 HydrophobicContact CG2-CG 4.27Å; T107-E109 PolarHBondContact O-N 2.94Å; E109-C111 VanDerWaalsContact C-N 3.32Å; E109-C111 PolarHBondContact O-N 2.89Å; E109-L112 PolarHBondContact O-N 2.95Å; E109-I113 WeakPolarHBondContact O-CB 3.48Å; E109-I113 WeakPolarHBondContact O-CG1 3.28Å; E109-I113 PolarHBondContact O-N 2.95Å; E109-F151 HydrophobicContact CB-CE1 4.03Å; E109-F151 HydrophobicContact CB-CZ 3.79Å; E109-F151 HydrophobicContact CG-CE1 3.73Å; E109-F151 HydrophobicContact CG-CZ 4.05Å; E109-Y233 HydrophobicContact CB-CD1 3.68Å; E109-Y233 HydrophobicContact CB-CD2 3.8Å; E109-Y233 HydrophobicContact CB-CE1 3.74Å; E109-Y233 HydrophobicContact CB-CE2 3.82Å; E109-Y233 HydrophobicContact CB-CG 3.69Å; E109-Y233 VanDerWaalsContact CD-CZ 3.5Å; E109-Y233 HydrophobicContact CG-CD1 4.35Å; E109-Y233 HydrophobicContact CG-CD2 3.52Å; E109-Y233 HydrophobicContact CG-CE1 4.36Å; E109-Y233 HydrophobicContact CG-CE2 3.49Å; E109-Y233 VanDerWaalsContact CG-CE2 3.49Å; E109-Y233 HydrophobicContact CG-CG 3.93Å; E109-Y233 WeakPolarHBondContact OE1-CE2 3.36Å; E109-Y233 WeakPolarHBondContact OE2-CE2 3.15Å; E109-Y233 PolarHBondContact OE2-OH 3.19Å |
| 110 | N | 96.3 | Very high | 96.4 | Very high | 37 Ų | 37 | 33.6 Ų | 33.6 | 20% | 0.198 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.4 | -38.7 | 176.5 | -85.4 | -58.9 | 0 | 0 | 0 | 112.2 | D108 E114 R255 | D108-N110 PolarHBondContact O-N 3.44Å; D108-N110 WeakPolarHBondContact OD1-CB 3.36Å; D108-N110 PolarHBondContact OD1-N 3.43Å; N110-E114 WeakPolarHBondContact O-CB 3.27Å; N110-E114 PolarHBondContact O-N 3Å; N110-E114 VanDerWaalsContact O-N 3.13Å; N110-R255 PolarHBondContact O-NH1 3.47Å; N110-R255 PolarHBondContact O-NH2 3.27Å; N110-R255 PolarHBondContact OD1-NH1 3.22Å |
| 111 | C | 98.3 | Very high | 96.5 | Very high | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.007 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64 | -47.4 | 173 | -175.7 | 0 | 0 | 0 | 0 | 111.3 | A101 D108 E109 I113 E114 I115 R272 | A101-C111 HydrophobicContact CB-CB 3.68Å; D108-C111 HydrophobicContact CB-CB 4.11Å; D108-C111 WeakPolarHBondContact O-CB 3.34Å; D108-C111 PolarHBondContact O-N 3.33Å; D108-C111 VanDerWaalsContact O-N 3.14Å; D108-C111 PolarHBondContact OD1-N 3.49Å; E109-C111 VanDerWaalsContact C-N 3.32Å; E109-C111 PolarHBondContact O-N 2.89Å; C111-I113 PolarHBondContact O-N 3.13Å; C111-E114 PolarHBondContact O-N 3.23Å; C111-I115 PolarHBondContact O-N 3.09Å; C111-I115 VanDerWaalsContact O-N 3.08Å; C111-R272 PolarHBondContact SG-NH1 2.61Å; C111-R272 VanDerWaalsContact SG-NH1 3.42Å |
| 112 | L | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.9 | -47.6 | 178.4 | -60.8 | -177.4 | 0 | 0 | 0 | 111.6 | L98 A101 M102 T107 D108 E109 E114 L116 T147 L155 | L98-L112 HydrophobicContact CD2-CD2 3.47Å; L98-L112 VanDerWaalsContact CD2-CD2 3.47Å; A101-L112 HydrophobicContact CB-CD2 4.35Å; M102-L112 HydrophobicContact CG-CD1 4.43Å; M102-L112 HydrophobicContact CG-CD2 4.02Å; M102-L112 HydrophobicContact SD-CD2 4.07Å; T107-L112 HydrophobicContact CG2-CD1 3.69Å; T107-L112 HydrophobicContact CG2-CG 4.48Å; D108-L112 PolarHBondContact O-N 3.43Å; E109-L112 PolarHBondContact O-N 2.95Å; L112-E114 PolarHBondContact O-N 3.08Å; L112-L116 WeakPolarHBondContact O-CB 3.3Å; L112-L116 WeakPolarHBondContact O-CG 3.38Å; L112-L116 PolarHBondContact O-N 2.87Å; L112-T147 HydrophobicContact CD1-CG2 3.78Å; L112-L155 HydrophobicContact CB-CD1 4.25Å; L112-L155 HydrophobicContact CB-CD2 4.3Å; L112-L155 HydrophobicContact CD1-CD1 3.99Å |
| 113 | I | 98.8 | Very high | 96.5 | Very high | 2 Ų | 2 | 35 Ų | 35 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -58.4 | -48.8 | 178.6 | -70.7 | 165.6 | 0 | 0 | 0 | 110.9 | E109 C111 A117 F151 Y233 E236 L237 A240 | E109-I113 WeakPolarHBondContact O-CB 3.48Å; E109-I113 WeakPolarHBondContact O-CG1 3.28Å; E109-I113 PolarHBondContact O-N 2.95Å; C111-I113 PolarHBondContact O-N 3.13Å; I113-A117 WeakPolarHBondContact O-CB 3.41Å; I113-A117 PolarHBondContact O-N 3.38Å; I113-F151 HydrophobicContact CD1-CE2 3.88Å; I113-F151 HydrophobicContact CD1-CZ 4.25Å; I113-F151 HydrophobicContact CG1-CE2 3.63Å; I113-F151 HydrophobicContact CG1-CZ 4Å; I113-Y233 HydrophobicContact CD1-CD1 4.15Å; I113-E236 HydrophobicContact CD1-CB 3.9Å; I113-L237 HydrophobicContact CB-CD1 4.28Å; I113-L237 HydrophobicContact CD1-CB 4.45Å; I113-L237 HydrophobicContact CG1-CB 4.03Å; I113-L237 HydrophobicContact CG1-CD1 4.07Å; I113-L237 HydrophobicContact CG2-CD1 4.1Å; I113-A240 HydrophobicContact CG2-CB 3.48Å; I113-A240 VanDerWaalsContact CG2-CB 3.48Å |
| 114 | E | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -63.3 | -48.2 | -175.7 | -172.3 | -169.9 | 115.1 | 0 | 0 | 113.1 | N110 C111 L112 S118 Y251 F252 R255 R272 I273 | N110-E114 WeakPolarHBondContact O-CB 3.27Å; N110-E114 PolarHBondContact O-N 3Å; N110-E114 VanDerWaalsContact O-N 3.13Å; C111-E114 PolarHBondContact O-N 3.23Å; L112-E114 PolarHBondContact O-N 3.08Å; E114-S118 WeakPolarHBondContact O-CB 3.47Å; E114-S118 PolarHBondContact O-N 3.31Å; E114-S118 PolarHBondContact O-OG 2.86Å; E114-Y251 WeakPolarHBondContact CA-OH 3.38Å; E114-Y251 HydrophobicContact CG-CE1 4.43Å; E114-F252 HydrophobicContact CG-CE1 3.91Å; E114-R255 IonicContact OE2-CZ 3.64Å; E114-R255 IonicContact OE2-NE 3.53Å; E114-R255 PolarHBondContact OE2-NE 3.34Å; E114-R255 IonicContact OE2-NH2 2.84Å; E114-R255 PolarHBondContact OE2-NH2 2.99Å; E114-R272 IonicContact OE1-CZ 3.59Å; E114-R272 IonicContact OE1-NE 3.68Å; E114-R272 PolarHBondContact OE1-NE 3.36Å; E114-R272 IonicContact OE1-NH2 3.5Å; E114-R272 IonicContact OE2-CZ 3.49Å; E114-R272 IonicContact OE2-NE 3.98Å; E114-R272 IonicContact OE2-NH2 2.73Å; E114-R272 PolarHBondContact OE2-NH2 3.4Å; E114-I273 VanDerWaalsContact OE1-CG1 3.28Å; E114-I273 WeakPolarHBondContact OE1-CG1 3.26Å |
| 115 | I | 98.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -70.3 | -54.1 | -177.7 | -64.1 | 174.4 | 0 | 0 | 0 | 109 | D94 E97 L98 C111 A117 S118 R119 M127 | D94-I115 HydrophobicContact CB-CG2 4.32Å; E97-I115 HydrophobicContact CB-CD1 3.78Å; L98-I115 HydrophobicContact CD1-CG2 4.08Å; L98-I115 HydrophobicContact CD2-CB 4.09Å; L98-I115 HydrophobicContact CD2-CD1 3.79Å; L98-I115 HydrophobicContact CD2-CG1 4.49Å; L98-I115 HydrophobicContact CD2-CG2 4.26Å; L98-I115 HydrophobicContact CG-CD1 3.79Å; L98-I115 HydrophobicContact CG-CG2 4.24Å; C111-I115 PolarHBondContact O-N 3.09Å; C111-I115 VanDerWaalsContact O-N 3.08Å; I115-A117 PolarHBondContact O-N 3.48Å; I115-S118 PolarHBondContact O-N 3.13Å; I115-S118 PolarHBondContact O-OG 2.97Å; I115-R119 HydrophobicContact CG2-CG 4.08Å; I115-R119 VanDerWaalsContact O-CG 3.25Å; I115-R119 WeakPolarHBondContact O-CG 3.42Å; I115-R119 PolarHBondContact O-N 3.33Å; I115-R119 VanDerWaalsContact O-N 3.15Å; I115-M127 HydrophobicContact CG2-CE 4.47Å; I115-M127 HydrophobicContact CG2-SD 3.61Å |
| 116 | L | 98.6 | Very high | 97.7 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -71.5 | -28.6 | -170.8 | -62 | -178 | 0 | 0 | 0 | 114 | L98 L112 L124 M127 I143 L155 L158 V159 | L98-L116 HydrophobicContact CD1-CD2 4.37Å; L112-L116 WeakPolarHBondContact O-CB 3.3Å; L112-L116 WeakPolarHBondContact O-CG 3.38Å; L112-L116 PolarHBondContact O-N 2.87Å; L116-L124 HydrophobicContact CD2-CD2 3.74Å; L116-M127 HydrophobicContact CD2-CE 3.74Å; L116-I143 HydrophobicContact CD1-CD1 3.76Å; L116-L155 HydrophobicContact CB-CD2 4.35Å; L116-L155 HydrophobicContact CD1-CB 4.01Å; L116-L155 HydrophobicContact CD1-CD2 3.84Å; L116-L155 HydrophobicContact CD1-CG 4.41Å; L116-L158 HydrophobicContact CB-CB 4.26Å; L116-L158 HydrophobicContact CB-CD1 4.31Å; L116-V159 HydrophobicContact CD1-CB 4.39Å; L116-V159 HydrophobicContact CD2-CB 4.16Å; L116-V159 HydrophobicContact CD2-CG2 4.03Å |
| 117 | A | 98.3 | Very high | 98 | Very high | 3 Ų | 3 | 26.7 Ų | 26.7 | 3% | 0.025 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -78.9 | -23.2 | 176 | 0 | 0 | 0 | 0 | 0 | 113.6 | I113 I115 L237 A240 I241 | I113-A117 WeakPolarHBondContact O-CB 3.41Å; I113-A117 PolarHBondContact O-N 3.38Å; I115-A117 PolarHBondContact O-N 3.48Å; A117-L237 HydrophobicContact CB-CD1 4.22Å; A117-A240 HydrophobicContact CB-CB 3.9Å; A117-I241 HydrophobicContact CB-CG1 4.02Å |
| 118 | S | 98.3 | Very high | 98.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -102.9 | -24 | -170.4 | 69.8 | 0 | 0 | 0 | 0 | 114.7 | E114 I115 K248 | E114-S118 WeakPolarHBondContact O-CB 3.47Å; E114-S118 PolarHBondContact O-N 3.31Å; E114-S118 PolarHBondContact O-OG 2.86Å; I115-S118 PolarHBondContact O-N 3.13Å; I115-S118 PolarHBondContact O-OG 2.97Å; S118-K248 VanDerWaalsContact O-CE 3.32Å; S118-K248 WeakPolarHBondContact O-CE 3.33Å; S118-K248 PolarHBondContact O-NZ 2.81Å |
| 119 | R | 98.1 | Very high | 98.2 | Very high | 12 Ų | 12 | 31.1 Ų | 31.1 | 5% | 0.045 | 16% | 0.159 | C | C | . | . | trans | -77.2 | 149.1 | -179 | -64 | -56.6 | 179.6 | -93.8 | -1.5 | 112.2 | D94 I115 E123 L124 | D94-R119 IonicContact OD1-CZ 3.73Å; D94-R119 IonicContact OD1-NE 2.76Å; D94-R119 PolarHBondContact OD1-NE 3.48Å; D94-R119 IonicContact OD1-NH2 2.88Å; D94-R119 PolarHBondContact OD1-NH2 3.32Å; D94-R119 IonicContact OD2-CZ 3.77Å; D94-R119 IonicContact OD2-NE 3.47Å; D94-R119 PolarHBondContact OD2-NE 2.9Å; D94-R119 IonicContact OD2-NH2 3.47Å; I115-R119 HydrophobicContact CG2-CG 4.08Å; I115-R119 VanDerWaalsContact O-CG 3.25Å; I115-R119 WeakPolarHBondContact O-CG 3.42Å; I115-R119 PolarHBondContact O-N 3.33Å; I115-R119 VanDerWaalsContact O-N 3.15Å; R119-E123 WeakPolarHBondContact CA-OE2 3.49Å; R119-E123 HydrophobicContact CB-CB 3.95Å; R119-E123 HydrophobicContact CG-CB 4.35Å; R119-L124 HydrophobicContact CB-CD2 3.82Å; R119-L124 HydrophobicContact CB-CG 3.82Å | ||
| 120 | T | 97.3 | Very high | 98.2 | Very high | 60 Ų | 60 | 29.5 Ų | 29.5 | 37% | 0.368 | 15% | 0.153 | S | C | . | . | trans | -82 | 167.6 | 176.4 | 59.5 | 0 | 0 | 0 | 0 | 111.4 | G122 E123 L124 | T120-G122 VanDerWaalsContact C-N 3.27Å; T120-G122 PolarHBondContact O-N 3.08Å; T120-E123 WeakPolarHBondContact CB-OE2 3.48Å; T120-E123 WeakPolarHBondContact CG2-OE2 3.32Å; T120-E123 PolarHBondContact N-OE2 3.42Å; T120-E123 PolarHBondContact O-N 3.33Å; T120-E123 WeakPolarHBondContact OG1-CG 3.09Å; T120-E123 PolarHBondContact OG1-N 3.49Å; T120-E123 PolarHBondContact OG1-OE2 2.89Å; T120-L124 WeakPolarHBondContact O-CB 3.49Å; T120-L124 VanDerWaalsContact O-CG 3.25Å; T120-L124 WeakPolarHBondContact O-CG 3.24Å; T120-L124 PolarHBondContact O-N 3.49Å | ||
| 121 | N | 98 | Very high | 98.3 | Very high | 33 Ų | 33 | 27.8 Ų | 27.8 | 18% | 0.176 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -50.6 | -46.3 | 175.1 | -68.9 | -18 | 0 | 0 | 0 | 112.3 | F125 G161 R163 E165 | N121-F125 WeakPolarHBondContact O-CB 3.45Å; N121-F125 PolarHBondContact O-N 2.94Å; N121-G161 VanDerWaalsContact CB-O 3.23Å; N121-G161 WeakPolarHBondContact CB-O 3.24Å; N121-G161 PolarHBondContact OD1-O 3.21Å; N121-G161 VanDerWaalsContact OD1-O 3.07Å; N121-R163 PolarHBondContact ND2-O 2.99Å; N121-R163 WeakPolarHBondContact OD1-CB 3.13Å; N121-R163 PolarHBondContact OD1-N 3.3Å; N121-E165 PolarHBondContact ND2-OE1 2.97Å; N121-E165 VanDerWaalsContact ND2-OE1 3.09Å |
| 122 | G | 98.2 | Very high | 98.2 | Very high | 39 Ų | 39 | 30.8 Ų | 30.8 | 40% | 0.402 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -67 | -43.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T120 F125 Q126 | T120-G122 VanDerWaalsContact C-N 3.27Å; T120-G122 PolarHBondContact O-N 3.08Å; G122-F125 PolarHBondContact O-N 3.22Å; G122-Q126 WeakPolarHBondContact O-CG 3.43Å; G122-Q126 PolarHBondContact O-N 3.4Å |
| 123 | E | 98.4 | Very high | 98.1 | Very high | 52 Ų | 52 | 37.6 Ų | 37.6 | 24% | 0.243 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -63.1 | -43.8 | 176.3 | -71.9 | 165 | 141.6 | 0 | 0 | 111.1 | R119 T120 F125 Q126 M127 | R119-E123 WeakPolarHBondContact CA-OE2 3.49Å; R119-E123 HydrophobicContact CB-CB 3.95Å; R119-E123 HydrophobicContact CG-CB 4.35Å; T120-E123 WeakPolarHBondContact CB-OE2 3.48Å; T120-E123 WeakPolarHBondContact CG2-OE2 3.32Å; T120-E123 PolarHBondContact N-OE2 3.42Å; T120-E123 PolarHBondContact O-N 3.33Å; T120-E123 WeakPolarHBondContact OG1-CG 3.09Å; T120-E123 PolarHBondContact OG1-N 3.49Å; T120-E123 PolarHBondContact OG1-OE2 2.89Å; E123-F125 PolarHBondContact O-N 2.98Å; E123-Q126 PolarHBondContact O-N 3.29Å; E123-M127 WeakPolarHBondContact O-CB 3.36Å; E123-M127 PolarHBondContact O-N 2.91Å |
| 124 | L | 98.5 | Very high | 98 | Very high | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.026 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.6 | -41.7 | 177.3 | -70.2 | 168.1 | 0 | 0 | 0 | 112 | L116 R119 T120 M127 R128 L158 | L116-L124 HydrophobicContact CD2-CD2 3.74Å; R119-L124 HydrophobicContact CB-CD2 3.82Å; R119-L124 HydrophobicContact CB-CG 3.82Å; T120-L124 WeakPolarHBondContact O-CB 3.49Å; T120-L124 VanDerWaalsContact O-CG 3.25Å; T120-L124 WeakPolarHBondContact O-CG 3.24Å; T120-L124 PolarHBondContact O-N 3.49Å; L124-M127 HydrophobicContact CD2-CE 3.57Å; L124-M127 PolarHBondContact O-N 3.06Å; L124-R128 WeakPolarHBondContact O-CG 3.34Å; L124-R128 PolarHBondContact O-N 2.86Å; L124-R128 VanDerWaalsContact O-N 3.07Å; L124-L158 VanDerWaalsContact CD1-O 3.27Å; L124-L158 WeakPolarHBondContact CD1-O 3.35Å |
| 125 | F | 98.4 | Very high | 97.8 | Very high | 111 Ų | 111 | 42.3 Ų | 42.3 | 49% | 0.487 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -59.2 | -52.6 | 174.4 | 175.8 | -89.6 | 0 | 0 | 0 | 111.4 | N121 G122 E123 M127 R128 E129 | N121-F125 WeakPolarHBondContact O-CB 3.45Å; N121-F125 PolarHBondContact O-N 2.94Å; G122-F125 PolarHBondContact O-N 3.22Å; E123-F125 PolarHBondContact O-N 2.98Å; F125-M127 VanDerWaalsContact C-N 3.31Å; F125-M127 PolarHBondContact O-N 2.87Å; F125-R128 PolarHBondContact O-N 3.4Å; F125-E129 HydrophobicContact CD1-CG 4.48Å; F125-E129 HydrophobicContact CE1-CG 4Å; F125-E129 HydrophobicContact CZ-CG 4.06Å; F125-E129 PolarHBondContact O-N 3.34Å |
| 126 | Q | 98.4 | Very high | 97.7 | Very high | 105 Ų | 105 | 47.2 Ų | 47.2 | 49% | 0.491 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -63 | -38.1 | -178.8 | -68.9 | 174.5 | 2.9 | 0 | 0 | 112.3 | P91 G122 E123 E129 A130 | P91-Q126 HydrophobicContact CB-CB 3.87Å; P91-Q126 HydrophobicContact CG-CB 3.81Å; G122-Q126 WeakPolarHBondContact O-CG 3.43Å; G122-Q126 PolarHBondContact O-N 3.4Å; E123-Q126 PolarHBondContact O-N 3.29Å; Q126-E129 PolarHBondContact O-N 3.29Å; Q126-A130 WeakPolarHBondContact O-CB 3.26Å; Q126-A130 PolarHBondContact O-N 2.88Å |
| 127 | M | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.2 | -41.2 | 178 | 177.5 | -171.6 | 69.6 | 0 | 0 | 112.1 | D94 A95 L98 I115 L116 E123 L124 F125 A130 Y131 L139 | D94-M127 HydrophobicContact CB-CB 4.48Å; D94-M127 HydrophobicContact CB-CG 3.76Å; D94-M127 HydrophobicContact CB-SD 3.61Å; A95-M127 HydrophobicContact CB-CG 4.47Å; L98-M127 HydrophobicContact CD1-CE 3.69Å; L98-M127 HydrophobicContact CD1-CG 4.31Å; L98-M127 HydrophobicContact CD1-SD 3.37Å; L98-M127 WeakPolarHBondContact CD1-SD 3.43Å; L98-M127 HydrophobicContact CG-SD 4.46Å; I115-M127 HydrophobicContact CG2-CE 4.47Å; I115-M127 HydrophobicContact CG2-SD 3.61Å; L116-M127 HydrophobicContact CD2-CE 3.74Å; E123-M127 WeakPolarHBondContact O-CB 3.36Å; E123-M127 PolarHBondContact O-N 2.91Å; L124-M127 HydrophobicContact CD2-CE 3.57Å; L124-M127 PolarHBondContact O-N 3.06Å; F125-M127 VanDerWaalsContact C-N 3.31Å; F125-M127 PolarHBondContact O-N 2.87Å; M127-A130 PolarHBondContact O-N 3.19Å; M127-Y131 WeakPolarHBondContact O-CB 3.42Å; M127-Y131 PolarHBondContact O-N 2.86Å; M127-L139 HydrophobicContact CE-CD2 3.68Å |
| 128 | R | 98.1 | Very high | 97.4 | Very high | 49 Ų | 49 | 53.6 Ų | 53.6 | 19% | 0.185 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 175.1 | -72.1 | -178.3 | -51.4 | -146.2 | 3.7 | 112 | L124 F125 A130 Y131 C132 L139 V159 Q160 | L124-R128 WeakPolarHBondContact O-CG 3.34Å; L124-R128 PolarHBondContact O-N 2.86Å; L124-R128 VanDerWaalsContact O-N 3.07Å; F125-R128 PolarHBondContact O-N 3.4Å; R128-A130 VanDerWaalsContact C-N 3.35Å; R128-Y131 PolarHBondContact O-N 3.36Å; R128-C132 PolarHBondContact O-N 2.75Å; R128-L139 HydrophobicContact CG-CD2 3.92Å; R128-V159 WeakPolarHBondContact CD-O 3.3Å; R128-V159 HydrophobicContact CG-CG2 4.28Å; R128-V159 PolarHBondContact NH1-O 2.94Å; R128-Q160 PolarHBondContact NH1-O 3.05Å |
| 129 | E | 98.1 | Very high | 97.4 | Very high | 103 Ų | 103 | 53.8 Ų | 53.8 | 48% | 0.481 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61 | -46.5 | 175.8 | -68.9 | -64.4 | 108.3 | 0 | 0 | 110.5 | F125 Q126 Y131 C132 L133 | F125-E129 HydrophobicContact CD1-CG 4.48Å; F125-E129 HydrophobicContact CE1-CG 4Å; F125-E129 HydrophobicContact CZ-CG 4.06Å; F125-E129 PolarHBondContact O-N 3.34Å; Q126-E129 PolarHBondContact O-N 3.29Å; E129-Y131 VanDerWaalsContact C-N 3.34Å; E129-Y131 PolarHBondContact O-N 3.28Å; E129-C132 PolarHBondContact O-N 3.28Å; E129-L133 VanDerWaalsContact O-CG 3.3Å; E129-L133 WeakPolarHBondContact O-CG 3.39Å; E129-L133 PolarHBondContact O-N 2.94Å |
| 130 | A | 98.1 | Very high | 97.4 | Very high | 7 Ų | 7 | 56 Ų | 56 | 6% | 0.058 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.4 | -41.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | P91 L92 A95 Q126 M127 R128 L133 Q134 | P91-A130 HydrophobicContact CB-CB 4.09Å; L92-A130 HydrophobicContact CD1-CB 3.91Å; L92-A130 HydrophobicContact CG-CB 4.06Å; A95-A130 HydrophobicContact CB-CB 4.16Å; Q126-A130 WeakPolarHBondContact O-CB 3.26Å; Q126-A130 PolarHBondContact O-N 2.88Å; M127-A130 PolarHBondContact O-N 3.19Å; R128-A130 VanDerWaalsContact C-N 3.35Å; A130-L133 PolarHBondContact O-N 3.21Å; A130-Q134 WeakPolarHBondContact O-CB 3.47Å; A130-Q134 PolarHBondContact O-N 3.19Å |
| 131 | Y | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 177.5 | -165.3 | -81.6 | 0 | 0 | 0 | 111.9 | A95 L98 W99 M102 M127 R128 E129 L133 Q134 Y135 N137 L139 D142 | A95-Y131 HydrophobicContact CB-CD2 3.98Å; A95-Y131 HydrophobicContact CB-CG 4.4Å; A95-Y131 WeakPolarHBondContact O-CD2 3.22Å; L98-Y131 HydrophobicContact CB-CE2 4.28Å; W99-Y131 HydrophobicContact CB-CD2 4.48Å; W99-Y131 HydrophobicContact CB-CE2 3.62Å; W99-Y131 AromaticContact CD1-CZ 3.81Å; W99-Y131 HydrophobicContact CG-CE2 4.39Å; M102-Y131 HydrophobicContact CE-CE2 4.3Å; M102-Y131 WeakPolarHBondContact CE-OH 3.25Å; M127-Y131 WeakPolarHBondContact O-CB 3.42Å; M127-Y131 PolarHBondContact O-N 2.86Å; R128-Y131 PolarHBondContact O-N 3.36Å; E129-Y131 VanDerWaalsContact C-N 3.34Å; E129-Y131 PolarHBondContact O-N 3.28Å; Y131-L133 PolarHBondContact O-N 3.13Å; Y131-Q134 PolarHBondContact O-N 2.76Å; Y131-Y135 HydrophobicContact CD2-CD2 4.16Å; Y131-Y135 HydrophobicContact CE2-CD2 4.31Å; Y131-Y135 HydrophobicContact CG-CD2 4.29Å; Y131-Y135 PolarHBondContact O-N 2.79Å; Y131-N137 WeakPolarHBondContact CD1-O 3.25Å; Y131-N137 HydrophobicContact CE1-CB 4.08Å; Y131-L139 HydrophobicContact CD1-CB 3.76Å; Y131-L139 HydrophobicContact CD1-CD1 4.45Å; Y131-L139 HydrophobicContact CD2-CB 4.28Å; Y131-L139 HydrophobicContact CD2-CD1 3.7Å; Y131-L139 HydrophobicContact CD2-CG 4.41Å; Y131-L139 HydrophobicContact CE1-CB 4.17Å; Y131-L139 HydrophobicContact CE1-CD1 4.36Å; Y131-L139 HydrophobicContact CE2-CD1 3.57Å; Y131-L139 HydrophobicContact CG-CB 3.81Å; Y131-L139 HydrophobicContact CG-CD1 4.13Å; Y131-L139 HydrophobicContact CG-CG 4.42Å; Y131-D142 VanDerWaalsContact CE1-OD2 3.26Å; Y131-D142 WeakPolarHBondContact CE1-OD2 3.14Å; Y131-D142 VanDerWaalsContact CZ-OD2 3.31Å; Y131-D142 PolarHBondContact OH-OD2 3.31Å |
| 132 | C | 96.9 | Very high | 97.4 | Very high | 65 Ų | 65 | 59.2 Ų | 59.2 | 44% | 0.439 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.2 | -47.2 | 177.5 | -173.2 | 0 | 0 | 0 | 0 | 111.7 | R128 E129 S136 N137 | R128-C132 PolarHBondContact O-N 2.75Å; E129-C132 PolarHBondContact O-N 3.28Å; C132-S136 WeakPolarHBondContact O-CA 3.49Å; C132-S136 PolarHBondContact O-N 3.48Å; C132-N137 VanDerWaalsContact CA-O 3.3Å; C132-N137 WeakPolarHBondContact CA-O 3.4Å |
| 133 | L | 96.2 | Very high | 97.4 | Very high | 143 Ų | 143 | 57.4 Ų | 57.4 | 75% | 0.749 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -66.5 | -42.1 | 179.9 | -69.1 | 171.1 | 0 | 0 | 0 | 112.8 | E129 A130 Y131 | E129-L133 VanDerWaalsContact O-CG 3.3Å; E129-L133 WeakPolarHBondContact O-CG 3.39Å; E129-L133 PolarHBondContact O-N 2.94Å; A130-L133 PolarHBondContact O-N 3.21Å; Y131-L133 PolarHBondContact O-N 3.13Å |
| 134 | Q | 95.6 | Very high | 97.4 | Very high | 61 Ų | 61 | 61 Ų | 61 | 29% | 0.285 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -78.8 | -35.3 | -173.1 | -174.6 | 167.9 | -39.2 | 0 | 0 | 113.1 | A130 Y131 | A130-Q134 WeakPolarHBondContact O-CB 3.47Å; A130-Q134 PolarHBondContact O-N 3.19Å; Y131-Q134 PolarHBondContact O-N 2.76Å |
| 135 | Y | 95.7 | Very high | 97.4 | Very high | 39 Ų | 39 | 64.3 Ų | 64.3 | 15% | 0.153 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -114.9 | -4.6 | -172.1 | -62.7 | -69.4 | 0 | 0 | 0 | 114.1 | H96 W99 Y131 N137 | H96-Y135 WeakPolarHBondContact CA-OH 3.25Å; H96-Y135 PolarHBondContact ND1-OH 3.47Å; W99-Y135 HydrophobicContact CB-CD1 4.43Å; W99-Y135 HydrophobicContact CB-CD2 3.9Å; W99-Y135 HydrophobicContact CB-CE1 4.09Å; W99-Y135 HydrophobicContact CB-CE2 3.53Å; W99-Y135 HydrophobicContact CB-CG 4.33Å; W99-Y135 AromaticContact CD1-CD1 3.55Å; W99-Y135 AromaticContact CD1-CD2 3.88Å; W99-Y135 AromaticContact CD1-CE1 3.94Å; W99-Y135 AromaticContact CD1-CG 3.5Å; W99-Y135 VanDerWaalsContact CD1-CG 3.5Å; W99-Y135 AromaticContact CD2-CD1 3.66Å; W99-Y135 HydrophobicContact CD2-CD1 3.66Å; W99-Y135 AromaticContact CD2-CE1 3.33Å; W99-Y135 HydrophobicContact CD2-CE1 3.33Å; W99-Y135 HydrophobicContact CD2-CE2 4.45Å; W99-Y135 HydrophobicContact CD2-CG 4.31Å; W99-Y135 AromaticContact CD2-CZ 3.77Å; W99-Y135 AromaticContact CE2-CD1 3.47Å; W99-Y135 VanDerWaalsContact CE2-CD1 3.47Å; W99-Y135 AromaticContact CE2-CE1 3.58Å; W99-Y135 HydrophobicContact CE3-CD1 4.36Å; W99-Y135 AromaticContact CE3-CE1 3.62Å; W99-Y135 HydrophobicContact CE3-CE1 3.62Å; W99-Y135 AromaticContact CE3-CZ 3.97Å; W99-Y135 AromaticContact CG-CD1 3.67Å; W99-Y135 HydrophobicContact CG-CD1 3.67Å; W99-Y135 AromaticContact CG-CD2 3.92Å; W99-Y135 HydrophobicContact CG-CD2 3.92Å; W99-Y135 AromaticContact CG-CE1 3.55Å; W99-Y135 HydrophobicContact CG-CE1 3.55Å; W99-Y135 AromaticContact CG-CE2 3.83Å; W99-Y135 HydrophobicContact CG-CE2 3.83Å; W99-Y135 AromaticContact CG-CG 3.83Å; W99-Y135 HydrophobicContact CG-CG 3.83Å; W99-Y135 AromaticContact CG-CZ 3.62Å; W99-Y135 HydrophobicContact CH2-CD1 4.46Å; W99-Y135 HydrophobicContact CH2-CE1 4.08Å; W99-Y135 AromaticContact CZ2-CD1 3.93Å; W99-Y135 HydrophobicContact CZ2-CD1 3.93Å; W99-Y135 AromaticContact CZ2-CE1 3.98Å; W99-Y135 HydrophobicContact CZ2-CE1 3.98Å; W99-Y135 AromaticContact CZ3-CE1 3.97Å; W99-Y135 HydrophobicContact CZ3-CE1 3.97Å; W99-Y135 AromaticContact NE1-CD1 3.48Å; W99-Y135 AromaticContact NE1-CG 3.8Å; Y131-Y135 HydrophobicContact CD2-CD2 4.16Å; Y131-Y135 HydrophobicContact CE2-CD2 4.31Å; Y131-Y135 HydrophobicContact CG-CD2 4.29Å; Y131-Y135 PolarHBondContact O-N 2.79Å; Y135-N137 PolarHBondContact O-N 3.32Å |
| 136 | S | 95.4 | Very high | 97.3 | Very high | 104 Ų | 104 | 62.4 Ų | 62.4 | 73% | 0.727 | 32% | 0.32 | S | S | * | . | S | Bend | trans | 55.2 | 28.5 | -176.2 | -55.7 | 0 | 0 | 0 | 0 | 113.3 | C132 | C132-S136 WeakPolarHBondContact O-CA 3.49Å; C132-S136 PolarHBondContact O-N 3.48Å |
| 137 | N | 94.6 | Very high | 97.3 | Very high | 75 Ų | 75 | 58.1 Ų | 58.1 | 40% | 0.401 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -130.2 | 158 | -178.6 | -85.9 | 10.2 | 0 | 0 | 0 | 110.5 | Y131 C132 Y135 | Y131-N137 WeakPolarHBondContact CD1-O 3.25Å; Y131-N137 HydrophobicContact CE1-CB 4.08Å; C132-N137 VanDerWaalsContact CA-O 3.3Å; C132-N137 WeakPolarHBondContact CA-O 3.4Å; Y135-N137 PolarHBondContact O-N 3.32Å |
| 138 | N | 96.9 | Very high | 97.3 | Very high | 62 Ų | 62 | 62.3 Ų | 62.3 | 33% | 0.332 | 33% | 0.33 | S | S | . | . | trans | -91.1 | 122.9 | 174.5 | -174.9 | -68.4 | 0 | 0 | 0 | 110.8 | Q140 E141 D142 | N138-Q140 VanDerWaalsContact C-N 3.25Å; N138-Q140 PolarHBondContact O-N 3.47Å; N138-Q140 WeakPolarHBondContact OD1-CA 3.45Å; N138-Q140 VanDerWaalsContact OD1-CB 3.23Å; N138-Q140 WeakPolarHBondContact OD1-CB 3.46Å; N138-Q140 PolarHBondContact OD1-N 2.9Å; N138-E141 HydrophobicContact CB-CB 4.03Å; N138-E141 HydrophobicContact CB-CG 3.79Å; N138-E141 PolarHBondContact O-N 3.25Å; N138-E141 VanDerWaalsContact O-N 3.15Å; N138-E141 PolarHBondContact OD1-N 3.02Å; N138-E141 VanDerWaalsContact OD1-N 3.16Å; N138-D142 PolarHBondContact O-N 3.01Å; N138-D142 VanDerWaalsContact O-N 3.09Å | ||
| 139 | L | 98.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.021 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.3 | -37.5 | -179.4 | 176.5 | 60.5 | 0 | 0 | 0 | 113.1 | L98 M102 M127 R128 Y131 I143 V159 | L98-L139 HydrophobicContact CB-CD1 4.14Å; L98-L139 HydrophobicContact CD1-CD1 3.86Å; L98-L139 HydrophobicContact CD1-CD2 3.84Å; M102-L139 HydrophobicContact CE-CD1 3.72Å; M127-L139 HydrophobicContact CE-CD2 3.68Å; R128-L139 HydrophobicContact CG-CD2 3.92Å; Y131-L139 HydrophobicContact CD1-CB 3.76Å; Y131-L139 HydrophobicContact CD1-CD1 4.45Å; Y131-L139 HydrophobicContact CD2-CB 4.28Å; Y131-L139 HydrophobicContact CD2-CD1 3.7Å; Y131-L139 HydrophobicContact CD2-CG 4.41Å; Y131-L139 HydrophobicContact CE1-CB 4.17Å; Y131-L139 HydrophobicContact CE1-CD1 4.36Å; Y131-L139 HydrophobicContact CE2-CD1 3.57Å; Y131-L139 HydrophobicContact CG-CB 3.81Å; Y131-L139 HydrophobicContact CG-CD1 4.13Å; Y131-L139 HydrophobicContact CG-CG 4.42Å; L139-I143 HydrophobicContact CD1-CD1 4.01Å; L139-I143 HydrophobicContact CD1-CG1 4.25Å; L139-I143 HydrophobicContact CG-CD1 3.9Å; L139-I143 WeakPolarHBondContact O-CD1 3.12Å; L139-I143 VanDerWaalsContact O-CG1 3.26Å; L139-I143 WeakPolarHBondContact O-CG1 3.38Å; L139-I143 PolarHBondContact O-N 3.27Å; L139-V159 HydrophobicContact CD2-CG2 3.82Å; L139-V159 HydrophobicContact CG-CG2 4.21Å |
| 140 | Q | 98.1 | Very high | 97.3 | Very high | 58 Ų | 58 | 59.2 Ų | 59.2 | 27% | 0.271 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -72.2 | -35.5 | -178.6 | -53.1 | -178.2 | -103.5 | 0 | 0 | 111.4 | N138 Y144 M156 V159 | N138-Q140 VanDerWaalsContact C-N 3.25Å; N138-Q140 PolarHBondContact O-N 3.47Å; N138-Q140 WeakPolarHBondContact OD1-CA 3.45Å; N138-Q140 VanDerWaalsContact OD1-CB 3.23Å; N138-Q140 WeakPolarHBondContact OD1-CB 3.46Å; N138-Q140 PolarHBondContact OD1-N 2.9Å; Q140-Y144 VanDerWaalsContact O-CB 3.28Å; Q140-Y144 WeakPolarHBondContact O-CB 3.28Å; Q140-Y144 PolarHBondContact O-N 2.84Å; Q140-M156 HydrophobicContact CB-CE 3.86Å; Q140-M156 HydrophobicContact CB-SD 4.27Å; Q140-V159 HydrophobicContact CG-CG1 3.86Å; Q140-V159 HydrophobicContact CG-CG2 4.41Å |
| 141 | E | 97.8 | Very high | 97.3 | Very high | 132 Ų | 132 | 59.7 Ų | 59.7 | 62% | 0.617 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -65.7 | -44.1 | 174.8 | -66.8 | 178.1 | 173.3 | 0 | 0 | 111 | N138 Y144 S145 | N138-E141 HydrophobicContact CB-CB 4.03Å; N138-E141 HydrophobicContact CB-CG 3.79Å; N138-E141 PolarHBondContact O-N 3.25Å; N138-E141 VanDerWaalsContact O-N 3.15Å; N138-E141 PolarHBondContact OD1-N 3.02Å; N138-E141 VanDerWaalsContact OD1-N 3.16Å; E141-Y144 WeakPolarHBondContact O-CB 3.36Å; E141-Y144 PolarHBondContact O-N 3.38Å; E141-Y144 VanDerWaalsContact O-N 3.15Å; E141-S145 PolarHBondContact O-N 3.21Å |
| 142 | D | 98 | Very high | 97.3 | Very high | 30 Ų | 30 | 62.1 Ų | 62.1 | 16% | 0.16 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -64.4 | -43.8 | 176.8 | -71.1 | -8 | 0 | 0 | 0 | 111.1 | M102 Y131 N138 Y144 S145 E146 | M102-D142 HydrophobicContact CE-CB 3.78Å; M102-D142 HydrophobicContact SD-CB 4.11Å; Y131-D142 VanDerWaalsContact CE1-OD2 3.26Å; Y131-D142 WeakPolarHBondContact CE1-OD2 3.14Å; Y131-D142 VanDerWaalsContact CZ-OD2 3.31Å; Y131-D142 PolarHBondContact OH-OD2 3.31Å; N138-D142 PolarHBondContact O-N 3.01Å; N138-D142 VanDerWaalsContact O-N 3.09Å; D142-Y144 PolarHBondContact O-N 3.13Å; D142-S145 PolarHBondContact O-N 3.38Å; D142-S145 PolarHBondContact O-OG 3.07Å; D142-S145 VanDerWaalsContact O-OG 3.04Å; D142-E146 WeakPolarHBondContact O-CB 3.45Å; D142-E146 WeakPolarHBondContact O-CG 3.42Å; D142-E146 PolarHBondContact O-N 3.44Å |
| 143 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.4 | -41.5 | 173.1 | -70.1 | 163.8 | 0 | 0 | 0 | 110.5 | M102 L116 L139 S145 T147 L155 M156 V159 | M102-I143 HydrophobicContact CE-CG1 4.19Å; M102-I143 HydrophobicContact SD-CB 4.4Å; M102-I143 HydrophobicContact SD-CG1 3.79Å; L116-I143 HydrophobicContact CD1-CD1 3.76Å; L139-I143 HydrophobicContact CD1-CD1 4.01Å; L139-I143 HydrophobicContact CD1-CG1 4.25Å; L139-I143 HydrophobicContact CG-CD1 3.9Å; L139-I143 WeakPolarHBondContact O-CD1 3.12Å; L139-I143 VanDerWaalsContact O-CG1 3.26Å; L139-I143 WeakPolarHBondContact O-CG1 3.38Å; L139-I143 PolarHBondContact O-N 3.27Å; I143-S145 PolarHBondContact O-N 3.5Å; I143-T147 PolarHBondContact O-N 3.38Å; I143-T147 PolarHBondContact O-OG1 3.34Å; I143-L155 HydrophobicContact CG2-CB 3.86Å; I143-L155 HydrophobicContact CG2-CD1 4.16Å; I143-M156 HydrophobicContact CB-SD 4.12Å; I143-M156 HydrophobicContact CG2-CG 4.3Å; I143-M156 HydrophobicContact CG2-SD 3.8Å; I143-V159 HydrophobicContact CD1-CB 4.12Å; I143-V159 HydrophobicContact CD1-CG1 4.31Å; I143-V159 HydrophobicContact CD1-CG2 3.86Å |
| 144 | Y | 98.3 | Very high | 97.5 | Very high | 129 Ų | 129 | 54.9 Ų | 54.9 | 51% | 0.506 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67.1 | -35.7 | -177.9 | -173.1 | -85.7 | 0 | 0 | 0 | 112.7 | Q140 E141 D142 R152 | Q140-Y144 VanDerWaalsContact O-CB 3.28Å; Q140-Y144 WeakPolarHBondContact O-CB 3.28Å; Q140-Y144 PolarHBondContact O-N 2.84Å; E141-Y144 WeakPolarHBondContact O-CB 3.36Å; E141-Y144 PolarHBondContact O-N 3.38Å; E141-Y144 VanDerWaalsContact O-N 3.15Å; D142-Y144 PolarHBondContact O-N 3.13Å; Y144-R152 HydrophobicContact CD2-CG 4.42Å; Y144-R152 WeakPolarHBondContact O-CD 3.29Å |
| 145 | S | 97.1 | Very high | 97.6 | Very high | 73 Ų | 73 | 52 Ų | 52 | 51% | 0.51 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -76.2 | -37.5 | 178.1 | 69.2 | 0 | 0 | 0 | 0 | 112.9 | E141 D142 I143 | E141-S145 PolarHBondContact O-N 3.21Å; D142-S145 PolarHBondContact O-N 3.38Å; D142-S145 PolarHBondContact O-OG 3.07Å; D142-S145 VanDerWaalsContact O-OG 3.04Å; I143-S145 PolarHBondContact O-N 3.5Å |
| 146 | E | 97.7 | Very high | 97.7 | Very high | 72 Ų | 72 | 51.9 Ų | 51.9 | 34% | 0.336 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -88.5 | -7 | -172.9 | -64.2 | -42 | 113.6 | 0 | 0 | 114.4 | M102 T107 D142 | M102-E146 HydrophobicContact CB-CB 4.43Å; M102-E146 HydrophobicContact CB-CG 3.81Å; M102-E146 HydrophobicContact CG-CB 4.11Å; M102-E146 HydrophobicContact CG-CG 4.02Å; M102-E146 HydrophobicContact SD-CB 4.32Å; M102-E146 HydrophobicContact SD-CG 4.34Å; T107-E146 HydrophobicContact CG2-CB 4.49Å; T107-E146 PolarHBondContact OG1-O 2.9Å; D142-E146 WeakPolarHBondContact O-CB 3.45Å; D142-E146 WeakPolarHBondContact O-CG 3.42Å; D142-E146 PolarHBondContact O-N 3.44Å |
| 147 | T | 98.2 | Very high | 97.9 | Very high | 14 Ų | 14 | 48.6 Ų | 48.6 | 9% | 0.086 | 26% | 0.258 | C | S | . | . | trans | -132.1 | 167 | -178 | 68.3 | 0 | 0 | 0 | 0 | 112.2 | L112 I143 F151 R152 L155 | L112-T147 HydrophobicContact CD1-CG2 3.78Å; I143-T147 PolarHBondContact O-N 3.38Å; I143-T147 PolarHBondContact O-OG1 3.34Å; T147-F151 HydrophobicContact CG2-CD1 4.17Å; T147-F151 HydrophobicContact CG2-CE1 3.84Å; T147-R152 WeakPolarHBondContact O-CD 3.49Å; T147-R152 WeakPolarHBondContact OG1-CA 3.43Å; T147-R152 WeakPolarHBondContact OG1-CB 3.46Å; T147-R152 VanDerWaalsContact OG1-CG 3.23Å; T147-R152 WeakPolarHBondContact OG1-CG 3.23Å; T147-L155 HydrophobicContact CG2-CD1 3.92Å | ||
| 148 | S | 97.9 | Very high | 98 | Very high | 88 Ų | 88 | 45.5 Ų | 45.5 | 62% | 0.615 | 24% | 0.242 | S | C | * | . | trans | -146.3 | 167 | -178.8 | 65.1 | 0 | 0 | 0 | 0 | 113.5 | R152 | S148-R152 PolarHBondContact O-N 2.96Š| ||
| 149 | G | 97.6 | Very high | 98.1 | Very high | 41 Ų | 41 | 42.5 Ų | 42.5 | 42% | 0.423 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | 58.8 | -154.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114 | F151 R152 D153 | G149-F151 PolarHBondContact O-N 2.96Å; G149-R152 WeakPolarHBondContact O-CB 3.34Å; G149-R152 PolarHBondContact O-N 3.33Å; G149-R152 VanDerWaalsContact O-N 3.14Å; G149-D153 VanDerWaalsContact O-CG 3.31Å; G149-D153 PolarHBondContact O-N 2.84Å; G149-D153 VanDerWaalsContact O-N 3.09Å |
| 150 | H | 97.8 | Very high | 98 | Very high | 46 Ų | 46 | 46 Ų | 46 | 21% | 0.213 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.2 | -26.1 | -179.2 | -74.5 | -67.7 | 0 | 0 | 0 | 113.5 | D153 T154 G189 K192 Q196 F234 | H150-D153 PolarHBondContact O-N 3.11Å; H150-T154 WeakPolarHBondContact O-CB 3.18Å; H150-T154 PolarHBondContact O-N 3.27Å; H150-T154 PolarHBondContact O-OG1 3.24Å; H150-G189 PolarHBondContact CE1-O 3.23Å; H150-K192 VanDerWaalsContact CD2-CD 3.44Å; H150-K192 WeakPolarHBondContact CD2-CD 3.44Å; H150-Q196 VanDerWaalsContact CB-NE2 3.29Å; H150-Q196 PolarHBondContact ND1-NE2 3.01Å; H150-Q196 PolarHBondContact O-NE2 3.47Å; H150-F234 HydrophobicContact CB-CD1 4.25Å; H150-F234 HydrophobicContact CB-CD2 3.81Å; H150-F234 HydrophobicContact CB-CE1 4.21Å; H150-F234 HydrophobicContact CB-CE2 3.8Å; H150-F234 HydrophobicContact CB-CG 4.04Å; H150-F234 HydrophobicContact CB-CZ 3.97Å |
| 151 | F | 98.5 | Very high | 97.9 | Very high | 18 Ų | 18 | 43.9 Ų | 43.9 | 8% | 0.079 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -61 | -53.6 | 172.4 | 177.3 | -119.5 | 0 | 0 | 0 | 110.8 | E109 I113 T147 G149 D153 T154 L155 Y233 F234 L237 | E109-F151 HydrophobicContact CB-CE1 4.03Å; E109-F151 HydrophobicContact CB-CZ 3.79Å; E109-F151 HydrophobicContact CG-CE1 3.73Å; E109-F151 HydrophobicContact CG-CZ 4.05Å; I113-F151 HydrophobicContact CD1-CE2 3.88Å; I113-F151 HydrophobicContact CD1-CZ 4.25Å; I113-F151 HydrophobicContact CG1-CE2 3.63Å; I113-F151 HydrophobicContact CG1-CZ 4Å; T147-F151 HydrophobicContact CG2-CD1 4.17Å; T147-F151 HydrophobicContact CG2-CE1 3.84Å; G149-F151 PolarHBondContact O-N 2.96Å; F151-D153 PolarHBondContact O-N 3.45Å; F151-T154 PolarHBondContact O-N 3.4Å; F151-L155 HydrophobicContact CD1-CD1 4.12Å; F151-L155 HydrophobicContact CD2-CD1 4.5Å; F151-L155 HydrophobicContact CD2-CG 4.48Å; F151-L155 HydrophobicContact CE1-CD1 3.63Å; F151-L155 HydrophobicContact CE2-CD1 4.04Å; F151-L155 HydrophobicContact CE2-CD2 4.13Å; F151-L155 HydrophobicContact CE2-CG 4.15Å; F151-L155 HydrophobicContact CZ-CD1 3.59Å; F151-L155 HydrophobicContact CZ-CD2 4.27Å; F151-L155 HydrophobicContact CZ-CG 4.2Å; F151-L155 WeakPolarHBondContact O-CG 3.48Å; F151-L155 PolarHBondContact O-N 3.37Å; F151-Y233 VanDerWaalsContact CD2-O 3.25Å; F151-Y233 WeakPolarHBondContact CD2-O 3.48Å; F151-Y233 WeakPolarHBondContact CE2-O 3.26Å; F151-F234 HydrophobicContact CB-CB 4.27Å; F151-L237 HydrophobicContact CD2-CB 4.17Å; F151-L237 HydrophobicContact CD2-CD2 3.77Å; F151-L237 HydrophobicContact CE2-CB 4.09Å; F151-L237 HydrophobicContact CE2-CD2 3.84Å |
| 152 | R | 98.5 | Very high | 97.9 | Very high | 50 Ų | 50 | 41.5 Ų | 41.5 | 19% | 0.189 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -53.8 | -51.7 | 173.8 | 178.4 | 179.3 | 64.7 | -170.5 | 4.9 | 111.8 | Y144 T147 S148 G149 T154 L155 M156 | Y144-R152 HydrophobicContact CD2-CG 4.42Å; Y144-R152 WeakPolarHBondContact O-CD 3.29Å; T147-R152 WeakPolarHBondContact O-CD 3.49Å; T147-R152 WeakPolarHBondContact OG1-CA 3.43Å; T147-R152 WeakPolarHBondContact OG1-CB 3.46Å; T147-R152 VanDerWaalsContact OG1-CG 3.23Å; T147-R152 WeakPolarHBondContact OG1-CG 3.23Å; S148-R152 PolarHBondContact O-N 2.96Å; G149-R152 WeakPolarHBondContact O-CB 3.34Å; G149-R152 PolarHBondContact O-N 3.33Å; G149-R152 VanDerWaalsContact O-N 3.14Å; R152-T154 PolarHBondContact O-N 2.64Å; R152-L155 PolarHBondContact O-N 3.19Å; R152-L155 VanDerWaalsContact O-N 3.08Å; R152-M156 HydrophobicContact CG-CG 3.96Å; R152-M156 WeakPolarHBondContact O-CB 3.34Å; R152-M156 VanDerWaalsContact O-CG 3.25Å; R152-M156 WeakPolarHBondContact O-CG 3.5Å; R152-M156 PolarHBondContact O-N 3.41Å |
| 153 | D | 98.3 | Very high | 97.8 | Very high | 56 Ų | 56 | 41.1 Ų | 41.1 | 30% | 0.299 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.8 | -34.2 | -173.6 | -58.1 | -19.5 | 0 | 0 | 0 | 111.1 | G149 H150 F151 N157 | G149-D153 VanDerWaalsContact O-CG 3.31Å; G149-D153 PolarHBondContact O-N 2.84Å; G149-D153 VanDerWaalsContact O-N 3.09Å; H150-D153 PolarHBondContact O-N 3.11Å; F151-D153 PolarHBondContact O-N 3.45Å; D153-N157 VanDerWaalsContact O-CG 3.3Å; D153-N157 PolarHBondContact O-N 2.84Å; D153-N157 PolarHBondContact O-ND2 3.41Å |
| 154 | T | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -69.7 | -46 | 174.7 | -47.9 | 0 | 0 | 0 | 0 | 112 | H150 F151 R152 M156 N157 L158 Q196 F234 L237 L238 I241 | H150-T154 WeakPolarHBondContact O-CB 3.18Å; H150-T154 PolarHBondContact O-N 3.27Å; H150-T154 PolarHBondContact O-OG1 3.24Å; F151-T154 PolarHBondContact O-N 3.4Å; R152-T154 PolarHBondContact O-N 2.64Å; T154-M156 VanDerWaalsContact C-N 3.26Å; T154-M156 PolarHBondContact O-N 3.5Å; T154-N157 PolarHBondContact O-N 2.86Å; T154-N157 VanDerWaalsContact O-N 3.15Å; T154-L158 HydrophobicContact CG2-CD1 4.5Å; T154-L158 WeakPolarHBondContact O-CG 3.32Å; T154-L158 PolarHBondContact O-N 3.29Å; T154-Q196 WeakPolarHBondContact OG1-CG 3.39Å; T154-Q196 PolarHBondContact OG1-NE2 3.05Å; T154-F234 WeakPolarHBondContact OG1-CE2 3.47Å; T154-L237 VanDerWaalsContact CB-CD2 3.48Å; T154-L237 HydrophobicContact CG2-CD2 3.44Å; T154-L237 VanDerWaalsContact CG2-CD2 3.44Å; T154-L237 HydrophobicContact CG2-CG 3.88Å; T154-L238 HydrophobicContact CG2-CD2 4.36Å; T154-I241 HydrophobicContact CG2-CD1 4.05Å |
| 155 | L | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.9 | -40 | 175.2 | -63 | 174.2 | 0 | 0 | 0 | 111.1 | L112 L116 I143 T147 F151 R152 N157 L158 V159 L237 | L112-L155 HydrophobicContact CB-CD1 4.25Å; L112-L155 HydrophobicContact CB-CD2 4.3Å; L112-L155 HydrophobicContact CD1-CD1 3.99Å; L116-L155 HydrophobicContact CB-CD2 4.35Å; L116-L155 HydrophobicContact CD1-CB 4.01Å; L116-L155 HydrophobicContact CD1-CD2 3.84Å; L116-L155 HydrophobicContact CD1-CG 4.41Å; I143-L155 HydrophobicContact CG2-CB 3.86Å; I143-L155 HydrophobicContact CG2-CD1 4.16Å; T147-L155 HydrophobicContact CG2-CD1 3.92Å; F151-L155 HydrophobicContact CD1-CD1 4.12Å; F151-L155 HydrophobicContact CD2-CD1 4.5Å; F151-L155 HydrophobicContact CD2-CG 4.48Å; F151-L155 HydrophobicContact CE1-CD1 3.63Å; F151-L155 HydrophobicContact CE2-CD1 4.04Å; F151-L155 HydrophobicContact CE2-CD2 4.13Å; F151-L155 HydrophobicContact CE2-CG 4.15Å; F151-L155 HydrophobicContact CZ-CD1 3.59Å; F151-L155 HydrophobicContact CZ-CD2 4.27Å; F151-L155 HydrophobicContact CZ-CG 4.2Å; F151-L155 WeakPolarHBondContact O-CG 3.48Å; F151-L155 PolarHBondContact O-N 3.37Å; R152-L155 PolarHBondContact O-N 3.19Å; R152-L155 VanDerWaalsContact O-N 3.08Å; L155-N157 VanDerWaalsContact C-N 3.32Å; L155-N157 PolarHBondContact O-N 3.07Å; L155-L158 PolarHBondContact O-N 3.09Å; L155-V159 WeakPolarHBondContact O-CB 3.49Å; L155-V159 WeakPolarHBondContact O-CG1 3.26Å; L155-V159 PolarHBondContact O-N 3.21Å; L155-L237 HydrophobicContact CD2-CD1 3.99Å; L155-L237 HydrophobicContact CD2-CD2 3.54Å; L155-L237 HydrophobicContact CD2-CG 4.43Å; L155-L237 HydrophobicContact CG-CD2 3.86Å |
| 156 | M | 98.4 | Very high | 97.2 | Very high | 37 Ų | 37 | 45.4 Ų | 45.4 | 18% | 0.182 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.9 | -32.5 | 176.9 | -69.2 | -61.6 | -69.2 | 0 | 0 | 112.7 | Q140 I143 R152 T154 V159 Q160 | Q140-M156 HydrophobicContact CB-CE 3.86Å; Q140-M156 HydrophobicContact CB-SD 4.27Å; I143-M156 HydrophobicContact CB-SD 4.12Å; I143-M156 HydrophobicContact CG2-CG 4.3Å; I143-M156 HydrophobicContact CG2-SD 3.8Å; R152-M156 HydrophobicContact CG-CG 3.96Å; R152-M156 WeakPolarHBondContact O-CB 3.34Å; R152-M156 VanDerWaalsContact O-CG 3.25Å; R152-M156 WeakPolarHBondContact O-CG 3.5Å; R152-M156 PolarHBondContact O-N 3.41Å; T154-M156 VanDerWaalsContact C-N 3.26Å; T154-M156 PolarHBondContact O-N 3.5Å; M156-V159 HydrophobicContact SD-CG1 4.43Å; M156-Q160 WeakPolarHBondContact O-CG 3.38Å; M156-Q160 PolarHBondContact O-NE2 2.67Å |
| 157 | N | 97.8 | Very high | 96.9 | Very high | 35 Ų | 35 | 52.8 Ų | 52.8 | 19% | 0.187 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -71.8 | -42.5 | 171.9 | -74.3 | -26.6 | 0 | 0 | 0 | 111.8 | D153 T154 L155 C200 | D153-N157 VanDerWaalsContact O-CG 3.3Å; D153-N157 PolarHBondContact O-N 2.84Å; D153-N157 PolarHBondContact O-ND2 3.41Å; T154-N157 PolarHBondContact O-N 2.86Å; T154-N157 VanDerWaalsContact O-N 3.15Å; L155-N157 VanDerWaalsContact C-N 3.32Å; L155-N157 PolarHBondContact O-N 3.07Å; N157-C200 HydrophobicContact CB-CB 3.79Å |
| 158 | L | 98.4 | Very high | 96.8 | Very high | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66 | -48.8 | 178.8 | -69.3 | 172 | 0 | 0 | 0 | 111.8 | L116 L124 T154 L155 Q160 G161 C200 L237 I241 | L116-L158 HydrophobicContact CB-CB 4.26Å; L116-L158 HydrophobicContact CB-CD1 4.31Å; L124-L158 VanDerWaalsContact CD1-O 3.27Å; L124-L158 WeakPolarHBondContact CD1-O 3.35Å; T154-L158 HydrophobicContact CG2-CD1 4.5Å; T154-L158 WeakPolarHBondContact O-CG 3.32Å; T154-L158 PolarHBondContact O-N 3.29Å; L155-L158 PolarHBondContact O-N 3.09Å; L158-Q160 PolarHBondContact O-N 3.14Å; L158-G161 PolarHBondContact O-N 3.19Å; L158-C200 HydrophobicContact CD2-CB 4.18Å; L158-L237 HydrophobicContact CD1-CD1 3.82Å; L158-L237 HydrophobicContact CD1-CG 4.48Å; L158-I241 HydrophobicContact CD1-CD1 4.01Å; L158-I241 HydrophobicContact CD1-CG1 4.18Å; L158-I241 HydrophobicContact CD2-CD1 4.22Å; L158-I241 HydrophobicContact CD2-CG1 4.37Å; L158-I241 HydrophobicContact CG-CD1 4.49Å |
| 159 | V | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.2 | -18.1 | -175.1 | 76.6 | 0 | 0 | 0 | 0 | 112.7 | L116 R128 L139 Q140 I143 L155 M156 G161 | L116-V159 HydrophobicContact CD1-CB 4.39Å; L116-V159 HydrophobicContact CD2-CB 4.16Å; L116-V159 HydrophobicContact CD2-CG2 4.03Å; R128-V159 WeakPolarHBondContact CD-O 3.3Å; R128-V159 HydrophobicContact CG-CG2 4.28Å; R128-V159 PolarHBondContact NH1-O 2.94Å; L139-V159 HydrophobicContact CD2-CG2 3.82Å; L139-V159 HydrophobicContact CG-CG2 4.21Å; Q140-V159 HydrophobicContact CG-CG1 3.86Å; Q140-V159 HydrophobicContact CG-CG2 4.41Å; I143-V159 HydrophobicContact CD1-CB 4.12Å; I143-V159 HydrophobicContact CD1-CG1 4.31Å; I143-V159 HydrophobicContact CD1-CG2 3.86Å; L155-V159 WeakPolarHBondContact O-CB 3.49Å; L155-V159 WeakPolarHBondContact O-CG1 3.26Å; L155-V159 PolarHBondContact O-N 3.21Å; M156-V159 HydrophobicContact SD-CG1 4.43Å; V159-G161 PolarHBondContact O-N 2.68Å |
| 160 | Q | 96.1 | Very high | 96.8 | Very high | 77 Ų | 77 | 55.7 Ų | 55.7 | 36% | 0.36 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -27.7 | 172.2 | -75.9 | 171.6 | 65.9 | 0 | 0 | 112.7 | R128 M156 L158 T162 | R128-Q160 PolarHBondContact NH1-O 3.05Å; M156-Q160 WeakPolarHBondContact O-CG 3.38Å; M156-Q160 PolarHBondContact O-NE2 2.67Å; L158-Q160 PolarHBondContact O-N 3.14Å; Q160-T162 VanDerWaalsContact C-N 3.27Å; Q160-T162 HydrophobicContact CB-CG2 4.35Å; Q160-T162 PolarHBondContact O-N 3.34Å |
| 161 | G | 96.4 | Very high | 96.7 | Very high | 13 Ų | 13 | 56.5 Ų | 56.5 | 13% | 0.134 | 30% | 0.303 | C | S | . | . | trans | 60.5 | 38 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | N121 L158 V159 | N121-G161 VanDerWaalsContact CB-O 3.23Å; N121-G161 WeakPolarHBondContact CB-O 3.24Å; N121-G161 PolarHBondContact OD1-O 3.21Å; N121-G161 VanDerWaalsContact OD1-O 3.07Å; L158-G161 PolarHBondContact O-N 3.19Å; V159-G161 PolarHBondContact O-N 2.68Å | ||
| 162 | T | 96.4 | Very high | 96.7 | Very high | 83 Ų | 83 | 58.8 Ų | 58.8 | 51% | 0.509 | 31% | 0.314 | S | S | . | . | trans | -115.9 | 29 | -178.1 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | Q160 E164 | Q160-T162 VanDerWaalsContact C-N 3.27Å; Q160-T162 HydrophobicContact CB-CG2 4.35Å; Q160-T162 PolarHBondContact O-N 3.34Å; T162-E164 PolarHBondContact O-N 3.13Å | ||
| 163 | R | 96.1 | Very high | 96.7 | Very high | 22 Ų | 22 | 56.4 Ų | 56.4 | 8% | 0.083 | 31% | 0.305 | C | S | . | . | trans | -59.2 | 135.1 | 175.3 | -176.2 | -179.2 | -69.8 | -79.8 | 1.1 | 109.3 | N121 L199 C200 N201 K202 | N121-R163 PolarHBondContact ND2-O 2.99Å; N121-R163 WeakPolarHBondContact OD1-CB 3.13Å; N121-R163 PolarHBondContact OD1-N 3.3Å; R163-L199 PolarHBondContact NH1-O 3.24Å; R163-L199 PolarHBondContact NH2-O 3.25Å; R163-C200 VanDerWaalsContact CZ-O 3.32Å; R163-C200 PolarHBondContact NH2-O 2.84Å; R163-N201 CarbonylContact C-O 3.54Å; R163-N201 WeakPolarHBondContact CG-O 3.49Å; R163-K202 WeakPolarHBondContact CD-O 3.39Å; R163-K202 VanDerWaalsContact CG-O 3.22Å; R163-K202 WeakPolarHBondContact CG-O 3.4Å; R163-K202 PolarHBondContact NH1-O 3.46Å | ||
| 164 | E | 97.1 | Very high | 96.7 | Very high | 92 Ų | 92 | 55.6 Ų | 55.6 | 43% | 0.43 | 31% | 0.307 | S | S | . | . | trans | -53 | 141.1 | 173.7 | -66.8 | 171.7 | -169.3 | 0 | 0 | 110.5 | T162 N201 K202 S203 | T162-E164 PolarHBondContact O-N 3.13Å; E164-N201 WeakPolarHBondContact CB-O 3.35Å; E164-N201 WeakPolarHBondContact CG-O 3.35Å; E164-N201 PolarHBondContact N-O 3.2Å; E164-K202 IonicContact OE1-NZ 3.84Å; E164-K202 PolarHBondContact OE1-NZ 2.99Å; E164-K202 VanDerWaalsContact OE1-NZ 3.1Å; E164-K202 VanDerWaalsContact OE2-CD 3.31Å; E164-K202 WeakPolarHBondContact OE2-CD 3.44Å; E164-K202 IonicContact OE2-NZ 3.93Å; E164-S203 WeakPolarHBondContact O-CA 3.25Å; E164-S203 WeakPolarHBondContact O-CB 3.31Å | ||
| 165 | E | 93 | Very high | 96.6 | Very high | 164 Ų | 164 | 61.1 Ų | 61.1 | 77% | 0.766 | 33% | 0.332 | S | S | * | . | trans | -118.5 | 132.7 | 174.7 | -65 | -176.5 | -173.1 | 0 | 0 | 108.8 | N121 | N121-E165 PolarHBondContact ND2-OE1 2.97Å; N121-E165 VanDerWaalsContact ND2-OE1 3.09Å | ||
| 166 | G | 90.6 | Very high | 96.6 | Very high | 36 Ų | 36 | 61.9 Ų | 61.9 | 37% | 0.371 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 144.6 | -176.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | S203 Q205 | G166-S203 PolarHBondContact O-OG 3.21Å; G166-Q205 PolarHBondContact O-OE1 3.18Å; G166-Q205 VanDerWaalsContact O-OE1 3.08Å |
| 167 | Y | 92.5 | Very high | 96.6 | Very high | 227 Ų | 227 | 60.1 Ų | 60.1 | 89% | 0.89 | 33% | 0.328 | S | S | * | . | trans | -70.8 | 155.5 | -179.2 | -61.7 | -75.6 | 0 | 0 | 0 | 112.2 | ||||
| 168 | A | 95.9 | Very high | 96.7 | Very high | 39 Ų | 39 | 61.9 Ų | 61.9 | 32% | 0.322 | 34% | 0.336 | S | S | . | . | trans | -75.6 | 143.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q205 L209 | A168-Q205 HydrophobicContact CB-CB 4.34Å; A168-L209 HydrophobicContact CB-CB 4.39Å; A168-L209 HydrophobicContact CB-CD2 4.02Å | ||
| 169 | D | 97.5 | Very high | 96.6 | Very high | 81 Ų | 81 | 63.4 Ų | 63.4 | 43% | 0.433 | 35% | 0.345 | S | S | . | . | trans | -104.6 | 111.9 | 166.3 | 179.6 | -18.8 | 0 | 0 | 0 | 108.9 | A171 M172 A173 Q206 | D169-A171 VanDerWaalsContact C-N 3.33Å; D169-A171 PolarHBondContact O-N 3.34Å; D169-A171 WeakPolarHBondContact OD1-CB 3.18Å; D169-A171 PolarHBondContact OD1-N 3.37Å; D169-M172 HydrophobicContact CB-CB 3.89Å; D169-M172 PolarHBondContact O-N 3.14Å; D169-M172 PolarHBondContact OD1-N 3.06Å; D169-A173 WeakPolarHBondContact O-CB 3.31Å; D169-A173 PolarHBondContact O-N 3.5Å; D169-Q206 PolarHBondContact O-NE2 2.76Å; D169-Q206 PolarHBondContact O-OE1 2.92Å | ||
| 170 | P | 97.1 | Very high | 96.6 | Very high | 84 Ų | 84 | 63.4 Ų | 63.4 | 55% | 0.545 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.9 | -35 | 179.8 | -24.2 | 34.1 | 0 | 0 | 0 | 114.9 | A173 A174 L209 | P170-A173 PolarHBondContact O-N 3.49Å; P170-A174 PolarHBondContact O-N 3.41Å; P170-A174 VanDerWaalsContact O-N 3.13Å; P170-L209 HydrophobicContact CB-CD2 4.02Å; P170-L209 HydrophobicContact CG-CD2 4.02Å |
| 171 | A | 97.1 | Very high | 96.7 | Very high | 63 Ų | 63 | 63.6 Ų | 63.6 | 52% | 0.521 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -70.8 | -41.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | D169 A173 Q175 | D169-A171 VanDerWaalsContact C-N 3.33Å; D169-A171 PolarHBondContact O-N 3.34Å; D169-A171 WeakPolarHBondContact OD1-CB 3.18Å; D169-A171 PolarHBondContact OD1-N 3.37Å; A171-A173 VanDerWaalsContact C-N 3.3Å; A171-Q175 WeakPolarHBondContact O-CG 3.39Å; A171-Q175 PolarHBondContact O-N 3.33Å |
| 172 | M | 97.8 | Very high | 96.7 | Very high | 65 Ų | 65 | 66.7 Ų | 66.7 | 32% | 0.32 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -64.3 | -37.1 | 171.9 | -172.3 | 60.2 | 61.9 | 0 | 0 | 111.3 | D169 A174 Q175 D176 | D169-M172 HydrophobicContact CB-CB 3.89Å; D169-M172 PolarHBondContact O-N 3.14Å; D169-M172 PolarHBondContact OD1-N 3.06Å; M172-A174 PolarHBondContact O-N 3.09Å; M172-Q175 PolarHBondContact O-N 3.22Å; M172-D176 WeakPolarHBondContact O-CB 3.23Å; M172-D176 PolarHBondContact O-N 3.37Å |
| 173 | A | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.7 | -42.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D169 P170 A171 Q175 A177 L209 V210 E213 | D169-A173 WeakPolarHBondContact O-CB 3.31Å; D169-A173 PolarHBondContact O-N 3.5Å; P170-A173 PolarHBondContact O-N 3.49Å; A171-A173 VanDerWaalsContact C-N 3.3Å; A173-Q175 VanDerWaalsContact C-N 3.34Å; A173-Q175 PolarHBondContact O-N 3.31Å; A173-A177 WeakPolarHBondContact O-CB 3.37Å; A173-A177 PolarHBondContact O-N 3.27Å; A173-L209 HydrophobicContact CB-CB 4.03Å; A173-L209 HydrophobicContact CB-CD2 3.77Å; A173-L209 HydrophobicContact CB-CG 3.64Å; A173-V210 HydrophobicContact CB-CG2 3.97Å; A173-E213 HydrophobicContact CB-CG 4.48Å |
| 174 | A | 97.8 | Very high | 96.6 | Very high | 40 Ų | 40 | 61.8 Ų | 61.8 | 33% | 0.331 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.8 | -36.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | P170 M172 M178 E213 | P170-A174 PolarHBondContact O-N 3.41Å; P170-A174 VanDerWaalsContact O-N 3.13Å; M172-A174 PolarHBondContact O-N 3.09Å; A174-M178 PolarHBondContact O-N 3.02Å; A174-M178 VanDerWaalsContact O-N 3.16Å; A174-E213 HydrophobicContact CB-CG 4.46Å |
| 175 | Q | 98.2 | Very high | 96.4 | Very high | 116 Ų | 116 | 62.8 Ų | 62.8 | 54% | 0.542 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -67.7 | -51.2 | 176 | -69.4 | 173.6 | 14 | 0 | 0 | 111.5 | A171 M172 A173 A177 M178 V179 | A171-Q175 WeakPolarHBondContact O-CG 3.39Å; A171-Q175 PolarHBondContact O-N 3.33Å; M172-Q175 PolarHBondContact O-N 3.22Å; A173-Q175 VanDerWaalsContact C-N 3.34Å; A173-Q175 PolarHBondContact O-N 3.31Å; Q175-A177 VanDerWaalsContact C-N 3.26Å; Q175-A177 PolarHBondContact O-N 3.08Å; Q175-M178 WeakPolarHBondContact O-CB 3.21Å; Q175-M178 PolarHBondContact O-N 2.95Å; Q175-M178 VanDerWaalsContact O-N 3.13Å; Q175-V179 PolarHBondContact O-N 3.34Å; Q175-V179 VanDerWaalsContact O-N 3.09Å |
| 176 | D | 98.4 | Very high | 96.4 | Very high | 16 Ų | 16 | 60.8 Ų | 60.8 | 9% | 0.086 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -59.6 | -38.6 | 177.6 | -76.7 | -22.6 | 0 | 0 | 0 | 110.9 | M172 M178 V179 L180 I198 K202 V210 | M172-D176 WeakPolarHBondContact O-CB 3.23Å; M172-D176 PolarHBondContact O-N 3.37Å; D176-M178 PolarHBondContact O-N 3.49Å; D176-V179 PolarHBondContact O-N 3.43Å; D176-L180 WeakPolarHBondContact O-CG 3.41Å; D176-L180 PolarHBondContact O-N 3.02Å; D176-I198 HydrophobicContact CB-CD1 4.03Å; D176-I198 HydrophobicContact CB-CG1 4.45Å; D176-I198 HydrophobicContact CB-CG2 4.19Å; D176-K202 VanDerWaalsContact OD2-CE 3.26Å; D176-K202 WeakPolarHBondContact OD2-CE 3.28Å; D176-V210 HydrophobicContact CB-CG1 4.16Å; D176-V210 HydrophobicContact CB-CG2 3.76Å |
| 177 | A | 98.5 | Very high | 96.4 | Very high | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | A173 Q175 V179 L180 W181 V210 E213 F214 I217 | A173-A177 WeakPolarHBondContact O-CB 3.37Å; A173-A177 PolarHBondContact O-N 3.27Å; Q175-A177 VanDerWaalsContact C-N 3.26Å; Q175-A177 PolarHBondContact O-N 3.08Å; A177-V179 VanDerWaalsContact C-N 3.35Å; A177-L180 PolarHBondContact O-N 3.13Å; A177-W181 PolarHBondContact O-N 2.85Å; A177-V210 HydrophobicContact CB-CG1 4.3Å; A177-E213 HydrophobicContact CB-CB 3.65Å; A177-F214 HydrophobicContact CB-CB 4.17Å; A177-I217 HydrophobicContact CB-CD1 3.93Å |
| 178 | M | 98.1 | Very high | 96.4 | Very high | 72 Ų | 72 | 55.3 Ų | 55.3 | 36% | 0.355 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.7 | -42.7 | 174.3 | -172.1 | 67.3 | -175.1 | 0 | 0 | 111.3 | A174 Q175 D176 L180 W181 E182 I217 | A174-M178 PolarHBondContact O-N 3.02Å; A174-M178 VanDerWaalsContact O-N 3.16Å; Q175-M178 WeakPolarHBondContact O-CB 3.21Å; Q175-M178 PolarHBondContact O-N 2.95Å; Q175-M178 VanDerWaalsContact O-N 3.13Å; D176-M178 PolarHBondContact O-N 3.49Å; M178-L180 PolarHBondContact O-N 2.88Å; M178-W181 HydrophobicContact CE-CE3 3.7Å; M178-W181 HydrophobicContact CE-CZ3 3.64Å; M178-W181 WeakPolarHBondContact O-CB 3.22Å; M178-W181 PolarHBondContact O-N 2.62Å; M178-W181 HydrophobicContact SD-CE3 3.92Å; M178-W181 HydrophobicContact SD-CZ3 4.41Å; M178-E182 HydrophobicContact CE-CG 4.25Å; M178-E182 WeakPolarHBondContact CE-OE1 3.42Å; M178-E182 WeakPolarHBondContact O-CG 3.11Å; M178-E182 PolarHBondContact O-N 3.24Å; M178-I217 HydrophobicContact SD-CG2 4.27Å |
| 179 | V | 98.1 | Very high | 96.3 | Very high | 41 Ų | 41 | 55.1 Ų | 55.1 | 25% | 0.248 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.7 | -43.6 | 176.4 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | Q175 D176 A177 W181 E182 A183 M194 I198 | Q175-V179 PolarHBondContact O-N 3.34Å; Q175-V179 VanDerWaalsContact O-N 3.09Å; D176-V179 PolarHBondContact O-N 3.43Å; A177-V179 VanDerWaalsContact C-N 3.35Å; V179-W181 VanDerWaalsContact C-N 3.32Å; V179-W181 PolarHBondContact O-N 3.36Å; V179-E182 PolarHBondContact O-N 3.47Å; V179-A183 WeakPolarHBondContact O-CB 3.31Å; V179-A183 PolarHBondContact O-N 2.88Å; V179-M194 HydrophobicContact CG1-CB 3.83Å; V179-M194 HydrophobicContact CG1-SD 4.24Å; V179-I198 HydrophobicContact CB-CD1 3.81Å; V179-I198 HydrophobicContact CG1-CD1 3.64Å |
| 180 | L | 98 | Very high | 96.2 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.2 | -40 | 175.8 | -68.6 | -177.5 | 0 | 0 | 0 | 112 | D176 A177 M178 A183 C184 L195 I198 L199 V210 F211 F214 M222 | D176-L180 WeakPolarHBondContact O-CG 3.41Å; D176-L180 PolarHBondContact O-N 3.02Å; A177-L180 PolarHBondContact O-N 3.13Å; M178-L180 PolarHBondContact O-N 2.88Å; L180-A183 PolarHBondContact O-N 3.42Å; L180-C184 PolarHBondContact O-N 2.93Å; L180-C184 VanDerWaalsContact O-N 3.15Å; L180-C184 PolarHBondContact O-SG 3.24Å; L180-L195 HydrophobicContact CD2-CB 4.07Å; L180-L195 HydrophobicContact CD2-CD1 4.04Å; L180-L195 HydrophobicContact CD2-CG 3.66Å; L180-I198 HydrophobicContact CD1-CG2 4.25Å; L180-I198 HydrophobicContact CD2-CB 4.21Å; L180-I198 HydrophobicContact CD2-CD1 4.07Å; L180-I198 HydrophobicContact CD2-CG2 4.2Å; L180-I198 HydrophobicContact CG-CD1 4.18Å; L180-I198 HydrophobicContact CG-CG2 4.32Å; L180-L199 HydrophobicContact CD1-CD2 4.27Å; L180-L199 HydrophobicContact CD2-CD2 4.46Å; L180-L199 HydrophobicContact CD2-CG 4.42Å; L180-V210 HydrophobicContact CD1-CG1 3.44Å; L180-V210 VanDerWaalsContact CD1-CG1 3.44Å; L180-V210 HydrophobicContact CG-CG1 4.46Å; L180-F211 HydrophobicContact CD1-CE1 4.45Å; L180-F214 HydrophobicContact CB-CD2 3.82Å; L180-F214 HydrophobicContact CB-CE2 4.1Å; L180-M222 HydrophobicContact CB-CE 4.24Å; L180-M222 HydrophobicContact CD1-CE 3.9Å; L180-M222 HydrophobicContact CD1-SD 4.13Å; L180-M222 HydrophobicContact CD2-CE 4.21Å; L180-M222 HydrophobicContact CG-CE 4.35Å |
| 181 | W | 97.3 | Very high | 96.1 | Very high | 82 Ų | 82 | 55 Ų | 55 | 31% | 0.311 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.8 | -49.6 | 176 | 177.6 | 74.1 | 0 | 0 | 0 | 111.7 | A177 M178 V179 A183 C184 Q185 F214 I217 S218 | A177-W181 PolarHBondContact O-N 2.85Å; M178-W181 HydrophobicContact CE-CE3 3.7Å; M178-W181 HydrophobicContact CE-CZ3 3.64Å; M178-W181 WeakPolarHBondContact O-CB 3.22Å; M178-W181 PolarHBondContact O-N 2.62Å; M178-W181 HydrophobicContact SD-CE3 3.92Å; M178-W181 HydrophobicContact SD-CZ3 4.41Å; V179-W181 VanDerWaalsContact C-N 3.32Å; V179-W181 PolarHBondContact O-N 3.36Å; W181-A183 PolarHBondContact O-N 2.89Å; W181-C184 WeakPolarHBondContact O-CB 3.44Å; W181-C184 PolarHBondContact O-N 2.7Å; W181-C184 VanDerWaalsContact O-N 3.11Å; W181-Q185 HydrophobicContact CD2-CG 4.28Å; W181-Q185 HydrophobicContact CH2-CG 4.37Å; W181-Q185 HydrophobicContact CZ2-CG 3.98Å; W181-Q185 WeakPolarHBondContact O-CG 3.27Å; W181-Q185 PolarHBondContact O-N 3.42Å; W181-Q185 VanDerWaalsContact O-N 3.12Å; W181-F214 HydrophobicContact CB-CD2 4.26Å; W181-F214 HydrophobicContact CB-CE2 3.99Å; W181-I217 HydrophobicContact CD2-CG2 4.48Å; W181-I217 HydrophobicContact CG-CG2 4.29Å; W181-S218 VanDerWaalsContact CD1-CB 3.49Å |
| 182 | E | 96.6 | Very high | 96 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 36% | 0.36 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.3 | -38.1 | 175.8 | -71.3 | 178.3 | 175.9 | 0 | 0 | 111.8 | M178 V179 C184 Q185 Q186 | M178-E182 HydrophobicContact CE-CG 4.25Å; M178-E182 WeakPolarHBondContact CE-OE1 3.42Å; M178-E182 WeakPolarHBondContact O-CG 3.11Å; M178-E182 PolarHBondContact O-N 3.24Å; V179-E182 PolarHBondContact O-N 3.47Å; E182-C184 VanDerWaalsContact C-N 3.31Å; E182-C184 PolarHBondContact O-N 3.1Å; E182-Q185 PolarHBondContact O-N 3.1Å; E182-Q185 VanDerWaalsContact O-N 3.13Å; E182-Q186 PolarHBondContact O-N 3.25Å |
| 183 | A | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.8 | -35 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | V179 L180 W181 K187 H191 L195 Y230 | V179-A183 WeakPolarHBondContact O-CB 3.31Å; V179-A183 PolarHBondContact O-N 2.88Å; L180-A183 PolarHBondContact O-N 3.42Å; W181-A183 PolarHBondContact O-N 2.89Å; A183-K187 WeakPolarHBondContact O-CA 3.33Å; A183-K187 PolarHBondContact O-N 3.42Å; A183-H191 HydrophobicContact CB-CB 3.92Å; A183-H191 WeakPolarHBondContact CB-O 3.42Å; A183-L195 HydrophobicContact CB-CB 4Å; A183-L195 HydrophobicContact CB-CD1 4.07Å; A183-Y230 VanDerWaalsContact C-OH 3.3Å; A183-Y230 PolarHBondContact O-OH 3.34Å |
| 184 | C | 93.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.8 | -36.4 | 172.6 | -68.4 | 0 | 0 | 0 | 0 | 111.8 | L180 W181 E182 K187 C229 | L180-C184 PolarHBondContact O-N 2.93Å; L180-C184 VanDerWaalsContact O-N 3.15Å; L180-C184 PolarHBondContact O-SG 3.24Å; W181-C184 WeakPolarHBondContact O-CB 3.44Å; W181-C184 PolarHBondContact O-N 2.7Å; W181-C184 VanDerWaalsContact O-N 3.11Å; E182-C184 VanDerWaalsContact C-N 3.31Å; E182-C184 PolarHBondContact O-N 3.1Å; C184-K187 WeakPolarHBondContact O-CE 3.3Å; C184-K187 VanDerWaalsContact O-CG 3.24Å; C184-K187 WeakPolarHBondContact O-CG 3.44Å; C184-C229 VanDerWaalsContact CA-SG 3.59Å; C184-C229 HydrophobicContact CB-CB 4.35Å; C184-C229 WeakPolarHBondContact CB-SG 3.47Å; C184-C229 PolarHBondContact O-SG 3.38Å |
| 185 | Q | 92.8 | Very high | 95.8 | Very high | 113 Ų | 113 | 56.1 Ų | 56.1 | 53% | 0.528 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -75 | -44.1 | -180 | -61.1 | -54.1 | 98.4 | 0 | 0 | 113.3 | W181 E182 | W181-Q185 HydrophobicContact CD2-CG 4.28Å; W181-Q185 HydrophobicContact CH2-CG 4.37Å; W181-Q185 HydrophobicContact CZ2-CG 3.98Å; W181-Q185 WeakPolarHBondContact O-CG 3.27Å; W181-Q185 PolarHBondContact O-N 3.42Å; W181-Q185 VanDerWaalsContact O-N 3.12Å; E182-Q185 PolarHBondContact O-N 3.1Å; E182-Q185 VanDerWaalsContact O-N 3.13Å |
| 186 | Q | 92.6 | Very high | 95.7 | Very high | 122 Ų | 122 | 50.8 Ų | 50.8 | 57% | 0.57 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -92.7 | -34.6 | -170.5 | -63.7 | -66.9 | -13.9 | 0 | 0 | 113.4 | E182 T188 | E182-Q186 PolarHBondContact O-N 3.25Å; Q186-T188 HydrophobicContact CB-CG2 4.37Å; Q186-T188 PolarHBondContact O-N 3.08Å |
| 187 | K | 91.1 | Very high | 95.5 | Very high | 86 Ų | 86 | 55 Ų | 55 | 37% | 0.374 | 28% | 0.276 | S | S | . | . | trans | 55.3 | 17.6 | 175.4 | -50.7 | 175.7 | -178 | -172.7 | 0 | 115.8 | A183 C184 K192 E228 C229 Y230 | A183-K187 WeakPolarHBondContact O-CA 3.33Å; A183-K187 PolarHBondContact O-N 3.42Å; C184-K187 WeakPolarHBondContact O-CE 3.3Å; C184-K187 VanDerWaalsContact O-CG 3.24Å; C184-K187 WeakPolarHBondContact O-CG 3.44Å; K187-K192 WeakPolarHBondContact O-CE 3.45Å; K187-E228 PolarHBondContact NZ-O 3.42Å; K187-C229 HydrophobicContact CD-CB 4.49Å; K187-C229 WeakPolarHBondContact CD-O 3.48Å; K187-C229 WeakPolarHBondContact CE-O 3.45Å; K187-C229 PolarHBondContact NZ-O 3.28Å; K187-Y230 HydrophobicContact CB-CE1 4.27Å; K187-Y230 HydrophobicContact CG-CE1 4.25Å | ||
| 188 | T | 93.3 | Very high | 95.5 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 37% | 0.374 | 28% | 0.278 | S | S | . | . | trans | -72.5 | 164.1 | 176.7 | 79.9 | 0 | 0 | 0 | 0 | 111.2 | Q186 E190 H191 K192 | Q186-T188 HydrophobicContact CB-CG2 4.37Å; Q186-T188 PolarHBondContact O-N 3.08Å; T188-E190 VanDerWaalsContact C-N 3.28Å; T188-E190 PolarHBondContact O-N 3.48Å; T188-H191 PolarHBondContact O-N 3.32Å; T188-H191 PolarHBondContact OG1-ND1 2.98Å; T188-K192 WeakPolarHBondContact O-CG 3.42Å; T188-K192 PolarHBondContact O-N 3.22Å | ||
| 189 | G | 92.9 | Very high | 95.5 | Very high | 36 Ų | 36 | 52 Ų | 52 | 37% | 0.371 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -56.9 | -40 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | H150 K192 T193 | H150-G189 PolarHBondContact CE1-O 3.23Å; G189-K192 PolarHBondContact O-N 3.05Å; G189-T193 PolarHBondContact O-N 2.88Å; G189-T193 PolarHBondContact O-OG1 3.43Å |
| 190 | E | 95.4 | Very high | 95.5 | Very high | 128 Ų | 128 | 50.3 Ų | 50.3 | 60% | 0.598 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -61.3 | -46.8 | 175.8 | -178.1 | 179.2 | -174 | 0 | 0 | 112 | T188 K192 T193 M194 | T188-E190 VanDerWaalsContact C-N 3.28Å; T188-E190 PolarHBondContact O-N 3.48Å; E190-K192 VanDerWaalsContact C-N 3.33Å; E190-K192 PolarHBondContact O-N 3Å; E190-T193 WeakPolarHBondContact O-CB 3.38Å; E190-T193 PolarHBondContact O-N 3.27Å; E190-T193 VanDerWaalsContact O-N 3.12Å; E190-M194 HydrophobicContact CG-CE 3.72Å; E190-M194 WeakPolarHBondContact O-CG 3.43Å; E190-M194 PolarHBondContact O-N 3.14Å; E190-M194 WeakPolarHBondContact OE1-CE 3.43Å |
| 191 | H | 94.9 | Very high | 95.4 | Very high | 33 Ų | 33 | 51.9 Ų | 51.9 | 15% | 0.153 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.9 | -37.9 | 177.7 | -73 | 89.2 | 0 | 0 | 0 | 112.3 | A183 T188 T193 M194 L195 | A183-H191 HydrophobicContact CB-CB 3.92Å; A183-H191 WeakPolarHBondContact CB-O 3.42Å; T188-H191 PolarHBondContact O-N 3.32Å; T188-H191 PolarHBondContact OG1-ND1 2.98Å; H191-T193 VanDerWaalsContact C-N 3.32Å; H191-T193 PolarHBondContact O-N 2.96Å; H191-M194 PolarHBondContact O-N 3.43Å; H191-L195 WeakPolarHBondContact O-CB 3.2Å; H191-L195 PolarHBondContact O-N 2.87Å |
| 192 | K | 95.8 | Very high | 95.4 | Very high | 49 Ų | 49 | 49.8 Ų | 49.8 | 21% | 0.213 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 172.7 | -70.3 | 178.6 | -178.9 | -174.7 | 0 | 111 | H150 K187 T188 G189 E190 L195 Q196 Y230 F234 | H150-K192 VanDerWaalsContact CD2-CD 3.44Å; H150-K192 WeakPolarHBondContact CD2-CD 3.44Å; K187-K192 WeakPolarHBondContact O-CE 3.45Å; T188-K192 WeakPolarHBondContact O-CG 3.42Å; T188-K192 PolarHBondContact O-N 3.22Å; G189-K192 PolarHBondContact O-N 3.05Å; E190-K192 VanDerWaalsContact C-N 3.33Å; E190-K192 PolarHBondContact O-N 3Å; K192-L195 PolarHBondContact O-N 3.25Å; K192-Q196 WeakPolarHBondContact O-CB 3.23Å; K192-Q196 WeakPolarHBondContact O-CG 3.25Å; K192-Q196 PolarHBondContact O-N 3.38Å; K192-Y230 HydrophobicContact CD-CE1 4.35Å; K192-Y230 HydrophobicContact CG-CE1 3.89Å; K192-F234 HydrophobicContact CB-CE1 4.36Å; K192-F234 HydrophobicContact CB-CZ 4.23Å; K192-F234 HydrophobicContact CD-CE1 3.95Å; K192-F234 HydrophobicContact CG-CE1 4.02Å; K192-F234 HydrophobicContact CG-CZ 4.38Å |
| 193 | T | 96.4 | Very high | 95.4 | Very high | 67 Ų | 67 | 46.2 Ų | 46.2 | 41% | 0.411 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.5 | -42.9 | 175.7 | -60.5 | 0 | 0 | 0 | 0 | 112.4 | G189 E190 H191 Q196 M197 | G189-T193 PolarHBondContact O-N 2.88Å; G189-T193 PolarHBondContact O-OG1 3.43Å; E190-T193 WeakPolarHBondContact O-CB 3.38Å; E190-T193 PolarHBondContact O-N 3.27Å; E190-T193 VanDerWaalsContact O-N 3.12Å; H191-T193 VanDerWaalsContact C-N 3.32Å; H191-T193 PolarHBondContact O-N 2.96Å; T193-Q196 PolarHBondContact O-N 2.84Å; T193-M197 VanDerWaalsContact O-CG 3.28Å; T193-M197 WeakPolarHBondContact O-CG 3.38Å; T193-M197 PolarHBondContact O-N 3.29Å |
| 194 | M | 96.6 | Very high | 95.4 | Very high | 77 Ų | 77 | 49.2 Ų | 49.2 | 38% | 0.379 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -45.2 | 176.3 | -65.5 | -175.4 | -171.9 | 0 | 0 | 111.8 | V179 E190 H191 Q196 M197 I198 | V179-M194 HydrophobicContact CG1-CB 3.83Å; V179-M194 HydrophobicContact CG1-SD 4.24Å; E190-M194 HydrophobicContact CG-CE 3.72Å; E190-M194 WeakPolarHBondContact O-CG 3.43Å; E190-M194 PolarHBondContact O-N 3.14Å; E190-M194 WeakPolarHBondContact OE1-CE 3.43Å; H191-M194 PolarHBondContact O-N 3.43Å; M194-Q196 PolarHBondContact O-N 3.47Å; M194-M197 WeakPolarHBondContact O-CB 3.24Å; M194-M197 PolarHBondContact O-N 2.64Å; M194-I198 PolarHBondContact O-N 3.31Å; M194-I198 VanDerWaalsContact O-N 3.11Å |
| 195 | L | 96.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 176.2 | 179.1 | 147.7 | 0 | 0 | 0 | 111.8 | L180 A183 H191 K192 M197 I198 L199 M222 Y230 L238 | L180-L195 HydrophobicContact CD2-CB 4.07Å; L180-L195 HydrophobicContact CD2-CD1 4.04Å; L180-L195 HydrophobicContact CD2-CG 3.66Å; A183-L195 HydrophobicContact CB-CB 4Å; A183-L195 HydrophobicContact CB-CD1 4.07Å; H191-L195 WeakPolarHBondContact O-CB 3.2Å; H191-L195 PolarHBondContact O-N 2.87Å; K192-L195 PolarHBondContact O-N 3.25Å; L195-M197 PolarHBondContact O-N 3.21Å; L195-I198 PolarHBondContact O-N 3.15Å; L195-L199 HydrophobicContact CD2-CD1 3.68Å; L195-L199 HydrophobicContact CD2-CG 4.37Å; L195-L199 HydrophobicContact CG-CD1 4.18Å; L195-L199 WeakPolarHBondContact O-CG 3.26Å; L195-L199 PolarHBondContact O-N 3.25Å; L195-M222 HydrophobicContact CD1-CE 4.38Å; L195-Y230 HydrophobicContact CD1-CE2 3.85Å; L195-L238 HydrophobicContact CD2-CD1 3.54Å; L195-L238 HydrophobicContact CD2-CD2 3.53Å; L195-L238 HydrophobicContact CD2-CG 4.11Å |
| 196 | Q | 95.5 | Very high | 95.8 | Very high | 3 Ų | 3 | 49 Ų | 49 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.7 | -44.9 | 175.9 | -71.9 | 166.1 | -21 | 0 | 0 | 111.9 | H150 T154 K192 T193 M194 I198 L199 C200 F234 | H150-Q196 VanDerWaalsContact CB-NE2 3.29Å; H150-Q196 PolarHBondContact ND1-NE2 3.01Å; H150-Q196 PolarHBondContact O-NE2 3.47Å; T154-Q196 WeakPolarHBondContact OG1-CG 3.39Å; T154-Q196 PolarHBondContact OG1-NE2 3.05Å; K192-Q196 WeakPolarHBondContact O-CB 3.23Å; K192-Q196 WeakPolarHBondContact O-CG 3.25Å; K192-Q196 PolarHBondContact O-N 3.38Å; T193-Q196 PolarHBondContact O-N 2.84Å; M194-Q196 PolarHBondContact O-N 3.47Å; Q196-I198 VanDerWaalsContact C-N 3.29Å; Q196-I198 PolarHBondContact O-N 3.08Å; Q196-L199 PolarHBondContact O-N 3.05Å; Q196-C200 VanDerWaalsContact O-CB 3.25Å; Q196-C200 WeakPolarHBondContact O-CB 3.2Å; Q196-C200 PolarHBondContact O-N 3.15Å; Q196-C200 PolarHBondContact O-SG 3.3Å; Q196-F234 HydrophobicContact CG-CE2 3.89Å; Q196-F234 HydrophobicContact CG-CZ 4.12Å |
| 197 | M | 95.4 | Very high | 96.1 | Very high | 105 Ų | 105 | 43.2 Ų | 43.2 | 52% | 0.517 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -58.5 | -42.3 | 179.7 | -76.4 | -74.1 | -79.6 | 0 | 0 | 111.4 | T193 M194 L195 N201 | T193-M197 VanDerWaalsContact O-CG 3.28Å; T193-M197 WeakPolarHBondContact O-CG 3.38Å; T193-M197 PolarHBondContact O-N 3.29Å; M194-M197 WeakPolarHBondContact O-CB 3.24Å; M194-M197 PolarHBondContact O-N 2.64Å; L195-M197 PolarHBondContact O-N 3.21Å; M197-N201 VanDerWaalsContact O-CB 3.27Å; M197-N201 WeakPolarHBondContact O-CB 3.39Å; M197-N201 PolarHBondContact O-N 3.23Å; M197-N201 PolarHBondContact O-ND2 3.15Å |
| 198 | I | 98.2 | Very high | 96.3 | Very high | 10 Ų | 10 | 44.5 Ų | 44.5 | 5% | 0.051 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -66.5 | -56.8 | 176.6 | -66.1 | 168.2 | 0 | 0 | 0 | 110.3 | D176 V179 L180 M194 L195 Q196 C200 N201 K202 L207 | D176-I198 HydrophobicContact CB-CD1 4.03Å; D176-I198 HydrophobicContact CB-CG1 4.45Å; D176-I198 HydrophobicContact CB-CG2 4.19Å; V179-I198 HydrophobicContact CB-CD1 3.81Å; V179-I198 HydrophobicContact CG1-CD1 3.64Å; L180-I198 HydrophobicContact CD1-CG2 4.25Å; L180-I198 HydrophobicContact CD2-CB 4.21Å; L180-I198 HydrophobicContact CD2-CD1 4.07Å; L180-I198 HydrophobicContact CD2-CG2 4.2Å; L180-I198 HydrophobicContact CG-CD1 4.18Å; L180-I198 HydrophobicContact CG-CG2 4.32Å; M194-I198 PolarHBondContact O-N 3.31Å; M194-I198 VanDerWaalsContact O-N 3.11Å; L195-I198 PolarHBondContact O-N 3.15Å; Q196-I198 VanDerWaalsContact C-N 3.29Å; Q196-I198 PolarHBondContact O-N 3.08Å; I198-C200 VanDerWaalsContact C-N 3.33Å; I198-C200 PolarHBondContact O-N 2.95Å; I198-N201 PolarHBondContact O-N 3.5Å; I198-K202 HydrophobicContact CG2-CG 4.13Å; I198-K202 WeakPolarHBondContact O-CB 3.2Å; I198-K202 WeakPolarHBondContact O-CG 3.44Å; I198-K202 PolarHBondContact O-N 2.95Å; I198-L207 HydrophobicContact CG2-CD2 3.88Å |
| 199 | L | 97.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.2 | -31.5 | -172.2 | -64.8 | -173.2 | 0 | 0 | 0 | 113.7 | R163 L180 L195 Q196 L207 F211 L238 I241 V242 | R163-L199 PolarHBondContact NH1-O 3.24Å; R163-L199 PolarHBondContact NH2-O 3.25Å; L180-L199 HydrophobicContact CD1-CD2 4.27Å; L180-L199 HydrophobicContact CD2-CD2 4.46Å; L180-L199 HydrophobicContact CD2-CG 4.42Å; L195-L199 HydrophobicContact CD2-CD1 3.68Å; L195-L199 HydrophobicContact CD2-CG 4.37Å; L195-L199 HydrophobicContact CG-CD1 4.18Å; L195-L199 WeakPolarHBondContact O-CG 3.26Å; L195-L199 PolarHBondContact O-N 3.25Å; Q196-L199 PolarHBondContact O-N 3.05Å; L199-L207 HydrophobicContact CD2-CD2 4.02Å; L199-L207 WeakPolarHBondContact O-CD1 3.25Å; L199-F211 HydrophobicContact CD2-CE1 3.56Å; L199-F211 HydrophobicContact CD2-CZ 3.82Å; L199-L238 HydrophobicContact CD1-CB 4.42Å; L199-L238 HydrophobicContact CD1-CD2 4Å; L199-I241 HydrophobicContact CB-CG2 4.22Å; L199-I241 WeakPolarHBondContact O-CG2 3.35Å; L199-V242 HydrophobicContact CD1-CG2 4.49Å |
| 200 | C | 97.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 41.3 Ų | 41.3 | 3% | 0.027 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -85.1 | -32.6 | -178.9 | -59.5 | 0 | 0 | 0 | 0 | 113.1 | N157 L158 R163 Q196 I198 | N157-C200 HydrophobicContact CB-CB 3.79Å; L158-C200 HydrophobicContact CD2-CB 4.18Å; R163-C200 VanDerWaalsContact CZ-O 3.32Å; R163-C200 PolarHBondContact NH2-O 2.84Å; Q196-C200 VanDerWaalsContact O-CB 3.25Å; Q196-C200 WeakPolarHBondContact O-CB 3.2Å; Q196-C200 PolarHBondContact O-N 3.15Å; Q196-C200 PolarHBondContact O-SG 3.3Å; I198-C200 VanDerWaalsContact C-N 3.33Å; I198-C200 PolarHBondContact O-N 2.95Å |
| 201 | N | 95.8 | Very high | 97 | Very high | 33 Ų | 33 | 35.5 Ų | 35.5 | 18% | 0.176 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -105.3 | -32 | -169.2 | -60.5 | -74.3 | 0 | 0 | 0 | 114.4 | R163 E164 M197 I198 | R163-N201 CarbonylContact C-O 3.54Å; R163-N201 WeakPolarHBondContact CG-O 3.49Å; E164-N201 WeakPolarHBondContact CB-O 3.35Å; E164-N201 WeakPolarHBondContact CG-O 3.35Å; E164-N201 PolarHBondContact N-O 3.2Å; M197-N201 VanDerWaalsContact O-CB 3.27Å; M197-N201 WeakPolarHBondContact O-CB 3.39Å; M197-N201 PolarHBondContact O-N 3.23Å; M197-N201 PolarHBondContact O-ND2 3.15Å; I198-N201 PolarHBondContact O-N 3.5Å |
| 202 | K | 97.9 | Very high | 97.1 | Very high | 38 Ų | 38 | 37.5 Ų | 37.5 | 17% | 0.165 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -66.1 | 148.8 | -177.1 | -66.8 | -54.2 | -174.8 | -172.3 | 0 | 112.3 | R163 E164 D176 I198 Q206 L207 | R163-K202 WeakPolarHBondContact CD-O 3.39Å; R163-K202 VanDerWaalsContact CG-O 3.22Å; R163-K202 WeakPolarHBondContact CG-O 3.4Å; R163-K202 PolarHBondContact NH1-O 3.46Å; E164-K202 IonicContact OE1-NZ 3.84Å; E164-K202 PolarHBondContact OE1-NZ 2.99Å; E164-K202 VanDerWaalsContact OE1-NZ 3.1Å; E164-K202 VanDerWaalsContact OE2-CD 3.31Å; E164-K202 WeakPolarHBondContact OE2-CD 3.44Å; E164-K202 IonicContact OE2-NZ 3.93Å; D176-K202 VanDerWaalsContact OD2-CE 3.26Å; D176-K202 WeakPolarHBondContact OD2-CE 3.28Å; I198-K202 HydrophobicContact CG2-CG 4.13Å; I198-K202 WeakPolarHBondContact O-CB 3.2Å; I198-K202 WeakPolarHBondContact O-CG 3.44Å; I198-K202 PolarHBondContact O-N 2.95Å; K202-Q206 HydrophobicContact CB-CB 4.22Å; K202-Q206 HydrophobicContact CB-CG 4.02Å; K202-Q206 HydrophobicContact CD-CG 4.22Å; K202-Q206 HydrophobicContact CG-CG 4.25Å; K202-L207 HydrophobicContact CB-CD2 3.8Å; K202-L207 HydrophobicContact CB-CG 3.79Å; K202-L207 HydrophobicContact CG-CD2 4.47Å |
| 203 | S | 97.7 | Very high | 97.3 | Very high | 3 Ų | 3 | 37.7 Ų | 37.7 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | trans | -61 | 156.9 | 179.1 | 81.6 | 0 | 0 | 0 | 0 | 111.6 | E164 G166 Q205 Q206 L207 | E164-S203 WeakPolarHBondContact O-CA 3.25Å; E164-S203 WeakPolarHBondContact O-CB 3.31Å; G166-S203 PolarHBondContact O-OG 3.21Å; S203-Q205 VanDerWaalsContact C-N 3.25Å; S203-Q205 PolarHBondContact O-N 2.74Å; S203-Q206 PolarHBondContact O-N 3.45Å; S203-Q206 VanDerWaalsContact O-N 3.13Å; S203-Q206 WeakPolarHBondContact OG-CB 3.35Å; S203-Q206 PolarHBondContact OG-N 3.24Å; S203-Q206 VanDerWaalsContact OG-N 3.08Å; S203-L207 PolarHBondContact O-N 2.94Å | ||
| 204 | Y | 95.8 | Very high | 97.4 | Very high | 63 Ų | 63 | 34.5 Ų | 34.5 | 25% | 0.247 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -57.7 | -40.8 | 176.6 | -82.2 | -86.8 | 0 | 0 | 0 | 111.7 | W208 V245 | Y204-W208 WeakPolarHBondContact O-CB 3.25Å; Y204-W208 PolarHBondContact O-N 3.25Å; Y204-V245 HydrophobicContact CD1-CB 4Å; Y204-V245 HydrophobicContact CD1-CG1 4.18Å; Y204-V245 HydrophobicContact CD1-CG2 3.6Å; Y204-V245 HydrophobicContact CE1-CB 4.25Å; Y204-V245 HydrophobicContact CE1-CG2 3.64Å |
| 205 | Q | 96.3 | Very high | 97.4 | Very high | 104 Ų | 104 | 35.3 Ų | 35.3 | 49% | 0.486 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.2 | -42.2 | 175.7 | -63.9 | 90.1 | -16.9 | 0 | 0 | 111.8 | G166 A168 S203 L209 | G166-Q205 PolarHBondContact O-OE1 3.18Å; G166-Q205 VanDerWaalsContact O-OE1 3.08Å; A168-Q205 HydrophobicContact CB-CB 4.34Å; S203-Q205 VanDerWaalsContact C-N 3.25Å; S203-Q205 PolarHBondContact O-N 2.74Å; Q205-L209 PolarHBondContact O-N 3.29Å |
| 206 | Q | 98.4 | Very high | 97.5 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 3% | 0.033 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.1 | -50.4 | 177.8 | -177.4 | 63.5 | 21.6 | 0 | 0 | 110.9 | D169 K202 S203 W208 L209 V210 | D169-Q206 PolarHBondContact O-NE2 2.76Å; D169-Q206 PolarHBondContact O-OE1 2.92Å; K202-Q206 HydrophobicContact CB-CB 4.22Å; K202-Q206 HydrophobicContact CB-CG 4.02Å; K202-Q206 HydrophobicContact CD-CG 4.22Å; K202-Q206 HydrophobicContact CG-CG 4.25Å; S203-Q206 PolarHBondContact O-N 3.45Å; S203-Q206 VanDerWaalsContact O-N 3.13Å; S203-Q206 WeakPolarHBondContact OG-CB 3.35Å; S203-Q206 PolarHBondContact OG-N 3.24Å; S203-Q206 VanDerWaalsContact OG-N 3.08Å; Q206-W208 VanDerWaalsContact C-N 3.29Å; Q206-W208 PolarHBondContact O-N 3.06Å; Q206-L209 PolarHBondContact O-N 3.31Å; Q206-L209 VanDerWaalsContact O-N 3.09Å; Q206-V210 HydrophobicContact CG-CG2 4.27Å; Q206-V210 VanDerWaalsContact O-CG2 3.3Å; Q206-V210 WeakPolarHBondContact O-CG2 3.38Å; Q206-V210 PolarHBondContact O-N 3.3Å |
| 207 | L | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.6 | -37 | -179.3 | -75.1 | -179.3 | 0 | 0 | 0 | 112.9 | I198 L199 K202 S203 L209 V210 F211 V245 | I198-L207 HydrophobicContact CG2-CD2 3.88Å; L199-L207 HydrophobicContact CD2-CD2 4.02Å; L199-L207 WeakPolarHBondContact O-CD1 3.25Å; K202-L207 HydrophobicContact CB-CD2 3.8Å; K202-L207 HydrophobicContact CB-CG 3.79Å; K202-L207 HydrophobicContact CG-CD2 4.47Å; S203-L207 PolarHBondContact O-N 2.94Å; L207-L209 VanDerWaalsContact C-N 3.29Å; L207-L209 PolarHBondContact O-N 2.97Å; L207-V210 PolarHBondContact O-N 3.04Å; L207-F211 HydrophobicContact CB-CE2 4.22Å; L207-F211 HydrophobicContact CB-CZ 4.03Å; L207-F211 HydrophobicContact CD2-CE1 4.35Å; L207-F211 HydrophobicContact CD2-CZ 4.34Å; L207-F211 WeakPolarHBondContact O-CD1 3.08Å; L207-F211 VanDerWaalsContact O-CD2 3.27Å; L207-F211 WeakPolarHBondContact O-CD2 3.38Å; L207-F211 WeakPolarHBondContact O-CG 3.42Å; L207-F211 PolarHBondContact O-N 3.21Å; L207-V245 HydrophobicContact CB-CG1 3.82Å; L207-V245 HydrophobicContact CB-CG2 4.35Å; L207-V245 HydrophobicContact CD1-CG2 3.83Å |
| 208 | W | 96.9 | Very high | 97.5 | Very high | 114 Ų | 114 | 40.8 Ų | 40.8 | 43% | 0.432 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -58 | -44.2 | 174.7 | -174.8 | 89.5 | 0 | 0 | 0 | 111.7 | Y204 Q206 F211 Q212 | Y204-W208 WeakPolarHBondContact O-CB 3.25Å; Y204-W208 PolarHBondContact O-N 3.25Å; Q206-W208 VanDerWaalsContact C-N 3.29Å; Q206-W208 PolarHBondContact O-N 3.06Å; W208-F211 PolarHBondContact O-N 3.43Å; W208-Q212 VanDerWaalsContact CZ3-CD 3.47Å; W208-Q212 VanDerWaalsContact CZ3-NE2 3.32Å; W208-Q212 PolarHBondContact O-N 3.16Å |
| 209 | L | 98.1 | Very high | 97.4 | Very high | 30 Ų | 30 | 43.5 Ų | 43.5 | 16% | 0.157 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.8 | -39.8 | 177.1 | -171.2 | 59.5 | 0 | 0 | 0 | 112.1 | A168 P170 A173 Q205 Q206 L207 F211 Q212 E213 | A168-L209 HydrophobicContact CB-CB 4.39Å; A168-L209 HydrophobicContact CB-CD2 4.02Å; P170-L209 HydrophobicContact CB-CD2 4.02Å; P170-L209 HydrophobicContact CG-CD2 4.02Å; A173-L209 HydrophobicContact CB-CB 4.03Å; A173-L209 HydrophobicContact CB-CD2 3.77Å; A173-L209 HydrophobicContact CB-CG 3.64Å; Q205-L209 PolarHBondContact O-N 3.29Å; Q206-L209 PolarHBondContact O-N 3.31Å; Q206-L209 VanDerWaalsContact O-N 3.09Å; L207-L209 VanDerWaalsContact C-N 3.29Å; L207-L209 PolarHBondContact O-N 2.97Å; L209-F211 VanDerWaalsContact C-N 3.27Å; L209-F211 PolarHBondContact O-N 2.65Å; L209-Q212 WeakPolarHBondContact O-CB 3.37Å; L209-Q212 PolarHBondContact O-N 3.03Å; L209-Q212 VanDerWaalsContact O-N 3.1Å; L209-E213 PolarHBondContact O-N 3.08Å |
| 210 | V | 98.6 | Very high | 97.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -55.5 | -42.8 | 173.9 | 170.2 | 0 | 0 | 0 | 0 | 111 | A173 D176 A177 L180 Q206 L207 Q212 E213 F214 | A173-V210 HydrophobicContact CB-CG2 3.97Å; D176-V210 HydrophobicContact CB-CG1 4.16Å; D176-V210 HydrophobicContact CB-CG2 3.76Å; A177-V210 HydrophobicContact CB-CG1 4.3Å; L180-V210 HydrophobicContact CD1-CG1 3.44Å; L180-V210 VanDerWaalsContact CD1-CG1 3.44Å; L180-V210 HydrophobicContact CG-CG1 4.46Å; Q206-V210 HydrophobicContact CG-CG2 4.27Å; Q206-V210 VanDerWaalsContact O-CG2 3.3Å; Q206-V210 WeakPolarHBondContact O-CG2 3.38Å; Q206-V210 PolarHBondContact O-N 3.3Å; L207-V210 PolarHBondContact O-N 3.04Å; V210-Q212 VanDerWaalsContact C-N 3.3Å; V210-Q212 PolarHBondContact O-N 3.1Å; V210-E213 PolarHBondContact O-N 3.17Å; V210-F214 VanDerWaalsContact O-CB 3.31Å; V210-F214 WeakPolarHBondContact O-CB 3.46Å; V210-F214 PolarHBondContact O-N 2.97Å |
| 211 | F | 98.4 | Very high | 97.3 | Very high | 5 Ų | 5 | 47.5 Ų | 47.5 | 2% | 0.022 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -67.8 | -30.5 | 179.3 | -58.8 | -24.5 | 0 | 0 | 0 | 113.1 | L180 L199 L207 W208 L209 Q215 M222 V242 V245 R246 | L180-F211 HydrophobicContact CD1-CE1 4.45Å; L199-F211 HydrophobicContact CD2-CE1 3.56Å; L199-F211 HydrophobicContact CD2-CZ 3.82Å; L207-F211 HydrophobicContact CB-CE2 4.22Å; L207-F211 HydrophobicContact CB-CZ 4.03Å; L207-F211 HydrophobicContact CD2-CE1 4.35Å; L207-F211 HydrophobicContact CD2-CZ 4.34Å; L207-F211 WeakPolarHBondContact O-CD1 3.08Å; L207-F211 VanDerWaalsContact O-CD2 3.27Å; L207-F211 WeakPolarHBondContact O-CD2 3.38Å; L207-F211 WeakPolarHBondContact O-CG 3.42Å; L207-F211 PolarHBondContact O-N 3.21Å; W208-F211 PolarHBondContact O-N 3.43Å; L209-F211 VanDerWaalsContact C-N 3.27Å; L209-F211 PolarHBondContact O-N 2.65Å; F211-Q215 PolarHBondContact O-N 3.22Å; F211-M222 HydrophobicContact CD1-CB 4.27Å; F211-M222 HydrophobicContact CD1-CG 3.91Å; F211-M222 HydrophobicContact CD1-SD 4.48Å; F211-M222 HydrophobicContact CE1-CG 4.11Å; F211-V242 HydrophobicContact CD2-CG1 4.16Å; F211-V242 HydrophobicContact CE1-CG2 4.16Å; F211-V242 HydrophobicContact CE2-CB 4.25Å; F211-V242 HydrophobicContact CE2-CG1 3.83Å; F211-V242 HydrophobicContact CE2-CG2 4.26Å; F211-V242 HydrophobicContact CZ-CB 4.22Å; F211-V242 HydrophobicContact CZ-CG1 4.14Å; F211-V242 HydrophobicContact CZ-CG2 3.75Å; F211-V245 HydrophobicContact CD2-CG1 4.36Å; F211-V245 HydrophobicContact CE2-CB 3.94Å; F211-V245 HydrophobicContact CE2-CG1 3.71Å; F211-R246 HydrophobicContact CD2-CG 4.39Å |
| 212 | Q | 97.8 | Very high | 97.4 | Very high | 75 Ų | 75 | 45.9 Ų | 45.9 | 35% | 0.35 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -69.6 | -47 | 173.3 | -67.2 | -175.8 | -26.1 | 0 | 0 | 111.2 | W208 L209 V210 F214 Q215 N216 | W208-Q212 VanDerWaalsContact CZ3-CD 3.47Å; W208-Q212 VanDerWaalsContact CZ3-NE2 3.32Å; W208-Q212 PolarHBondContact O-N 3.16Å; L209-Q212 WeakPolarHBondContact O-CB 3.37Å; L209-Q212 PolarHBondContact O-N 3.03Å; L209-Q212 VanDerWaalsContact O-N 3.1Å; V210-Q212 VanDerWaalsContact C-N 3.3Å; V210-Q212 PolarHBondContact O-N 3.1Å; Q212-F214 VanDerWaalsContact C-N 3.29Å; Q212-F214 PolarHBondContact O-N 2.7Å; Q212-Q215 PolarHBondContact O-N 3.16Å; Q212-N216 VanDerWaalsContact O-CG 3.27Å; Q212-N216 PolarHBondContact O-N 2.99Å; Q212-N216 PolarHBondContact O-ND2 2.72Å |
| 213 | E | 98.4 | Very high | 97.4 | Very high | 53 Ų | 53 | 45 Ų | 45 | 25% | 0.248 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -65 | -35.8 | 177.1 | -65.7 | -54.8 | 156.4 | 0 | 0 | 111.9 | A173 A174 A177 L209 V210 Q215 N216 I217 | A173-E213 HydrophobicContact CB-CG 4.48Å; A174-E213 HydrophobicContact CB-CG 4.46Å; A177-E213 HydrophobicContact CB-CB 3.65Å; L209-E213 PolarHBondContact O-N 3.08Å; V210-E213 PolarHBondContact O-N 3.17Å; E213-Q215 VanDerWaalsContact C-N 3.31Å; E213-Q215 PolarHBondContact O-N 3.5Å; E213-N216 WeakPolarHBondContact O-CB 3.13Å; E213-N216 PolarHBondContact O-N 3.16Å; E213-N216 VanDerWaalsContact O-N 3.17Å; E213-N216 PolarHBondContact OE2-ND2 3.47Å; E213-N216 VanDerWaalsContact OE2-ND2 3.12Å; E213-I217 VanDerWaalsContact O-CG1 3.31Å; E213-I217 WeakPolarHBondContact O-CG1 3.25Å; E213-I217 PolarHBondContact O-N 2.86Å |
| 214 | F | 98.5 | Very high | 97.4 | Very high | 1 Ų | 1 | 49 Ų | 49 | 0% | 0.004 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 173 | 177.9 | -85.5 | 0 | 0 | 0 | 111.1 | A177 L180 W181 V210 Q212 N216 I217 S218 M222 A225 | A177-F214 HydrophobicContact CB-CB 4.17Å; L180-F214 HydrophobicContact CB-CD2 3.82Å; L180-F214 HydrophobicContact CB-CE2 4.1Å; W181-F214 HydrophobicContact CB-CD2 4.26Å; W181-F214 HydrophobicContact CB-CE2 3.99Å; V210-F214 VanDerWaalsContact O-CB 3.31Å; V210-F214 WeakPolarHBondContact O-CB 3.46Å; V210-F214 PolarHBondContact O-N 2.97Å; Q212-F214 VanDerWaalsContact C-N 3.29Å; Q212-F214 PolarHBondContact O-N 2.7Å; F214-N216 VanDerWaalsContact C-N 3.33Å; F214-I217 PolarHBondContact O-N 2.93Å; F214-S218 VanDerWaalsContact CE1-OG 3.31Å; F214-S218 WeakPolarHBondContact CE1-OG 3.41Å; F214-S218 VanDerWaalsContact O-CB 3.31Å; F214-S218 WeakPolarHBondContact O-CB 3.5Å; F214-S218 PolarHBondContact O-N 2.76Å; F214-S218 PolarHBondContact O-OG 3.09Å; F214-M222 HydrophobicContact CD1-CB 4.25Å; F214-M222 HydrophobicContact CD1-SD 3.93Å; F214-M222 HydrophobicContact CD2-SD 3.8Å; F214-M222 HydrophobicContact CE1-CB 4.48Å; F214-M222 HydrophobicContact CE1-SD 3.98Å; F214-M222 HydrophobicContact CE2-SD 3.79Å; F214-M222 HydrophobicContact CG-SD 3.86Å; F214-M222 HydrophobicContact CZ-SD 3.91Å; F214-A225 HydrophobicContact CE1-CB 3.79Å; F214-A225 HydrophobicContact CZ-CB 3.54Å |
| 215 | Q | 97.9 | Very high | 97.5 | Very high | 93 Ų | 93 | 46 Ų | 46 | 44% | 0.435 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.3 | -36.2 | 177.3 | -173.1 | 169.1 | 19.2 | 0 | 0 | 111.8 | F211 Q212 E213 G219 Q220 | F211-Q215 PolarHBondContact O-N 3.22Å; Q212-Q215 PolarHBondContact O-N 3.16Å; E213-Q215 VanDerWaalsContact C-N 3.31Å; E213-Q215 PolarHBondContact O-N 3.5Å; Q215-G219 VanDerWaalsContact O-CA 3.23Å; Q215-G219 WeakPolarHBondContact O-CA 3.33Å; Q215-G219 PolarHBondContact O-N 3.37Å; Q215-Q220 WeakPolarHBondContact CA-O 3.38Å |
| 216 | N | 97.6 | Very high | 97.5 | Very high | 115 Ų | 115 | 41.1 Ų | 41.1 | 62% | 0.615 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -63.6 | -39.9 | 175.1 | -66.5 | -24.3 | 0 | 0 | 0 | 112.3 | Q212 E213 F214 | Q212-N216 VanDerWaalsContact O-CG 3.27Å; Q212-N216 PolarHBondContact O-N 2.99Å; Q212-N216 PolarHBondContact O-ND2 2.72Å; E213-N216 WeakPolarHBondContact O-CB 3.13Å; E213-N216 PolarHBondContact O-N 3.16Å; E213-N216 VanDerWaalsContact O-N 3.17Å; E213-N216 PolarHBondContact OE2-ND2 3.47Å; E213-N216 VanDerWaalsContact OE2-ND2 3.12Å; F214-N216 VanDerWaalsContact C-N 3.33Å |
| 217 | I | 95.9 | Very high | 97.5 | Very high | 74 Ų | 74 | 44 Ų | 44 | 38% | 0.379 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -77 | -48.5 | -178.3 | -68.2 | 163.1 | 0 | 0 | 0 | 111.4 | A177 M178 W181 E213 F214 | A177-I217 HydrophobicContact CB-CD1 3.93Å; M178-I217 HydrophobicContact SD-CG2 4.27Å; W181-I217 HydrophobicContact CD2-CG2 4.48Å; W181-I217 HydrophobicContact CG-CG2 4.29Å; E213-I217 VanDerWaalsContact O-CG1 3.31Å; E213-I217 WeakPolarHBondContact O-CG1 3.25Å; E213-I217 PolarHBondContact O-N 2.86Å; F214-I217 PolarHBondContact O-N 2.93Å |
| 218 | S | 95.8 | Very high | 97.4 | Very high | 34 Ų | 34 | 50.4 Ų | 50.4 | 24% | 0.238 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -89.3 | -24 | -170.9 | 68.5 | 0 | 0 | 0 | 0 | 113.8 | W181 F214 Q220 | W181-S218 VanDerWaalsContact CD1-CB 3.49Å; F214-S218 VanDerWaalsContact CE1-OG 3.31Å; F214-S218 WeakPolarHBondContact CE1-OG 3.41Å; F214-S218 VanDerWaalsContact O-CB 3.31Å; F214-S218 WeakPolarHBondContact O-CB 3.5Å; F214-S218 PolarHBondContact O-N 2.76Å; F214-S218 PolarHBondContact O-OG 3.09Å; S218-Q220 PolarHBondContact O-N 3.07Å; S218-Q220 PolarHBondContact OG-N 3.43Å; S218-Q220 PolarHBondContact OG-O 3.12Å |
| 219 | G | 96.4 | Very high | 97.3 | Very high | 67 Ų | 67 | 45.9 Ų | 45.9 | 69% | 0.691 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 73.4 | 4.5 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q215 | Q215-G219 VanDerWaalsContact O-CA 3.23Å; Q215-G219 WeakPolarHBondContact O-CA 3.33Å; Q215-G219 PolarHBondContact O-N 3.37Å |
| 220 | Q | 96.4 | Very high | 97.2 | Very high | 53 Ų | 53 | 45.1 Ų | 45.1 | 25% | 0.248 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -121.1 | 149.6 | -173 | -167.5 | 175.2 | 17.2 | 0 | 0 | 111.7 | Q215 S218 D224 A225 E228 | Q215-Q220 WeakPolarHBondContact CA-O 3.38Å; S218-Q220 PolarHBondContact O-N 3.07Å; S218-Q220 PolarHBondContact OG-N 3.43Å; S218-Q220 PolarHBondContact OG-O 3.12Å; Q220-D224 HydrophobicContact CG-CB 4.07Å; Q220-A225 HydrophobicContact CG-CB 4.35Å; Q220-E228 PolarHBondContact NE2-OE1 2.84Å; Q220-E228 VanDerWaalsContact NE2-OE1 3.14Å; Q220-E228 PolarHBondContact NE2-OE2 3.02Å |
| 221 | D | 96.8 | Very high | 97.1 | Very high | 35 Ų | 35 | 51.2 Ų | 51.2 | 19% | 0.187 | 28% | 0.28 | C | S | . | . | trans | -68.7 | 142.6 | 170.5 | -171.7 | -96.7 | 0 | 0 | 0 | 111.2 | V223 D224 A225 R246 | D221-V223 VanDerWaalsContact C-N 3.29Å; D221-V223 PolarHBondContact O-N 3.35Å; D221-V223 WeakPolarHBondContact OD1-CB 3.32Å; D221-V223 PolarHBondContact OD1-N 2.86Å; D221-D224 HydrophobicContact CB-CB 4.28Å; D221-D224 PolarHBondContact O-N 3.49Å; D221-A225 PolarHBondContact O-N 3.24Å; D221-R246 VanDerWaalsContact CG-NH1 3.28Å; D221-R246 IonicContact OD1-CZ 2.7Å; D221-R246 IonicContact OD1-NH1 3.58Å; D221-R246 PolarHBondContact OD1-NH1 3.07Å; D221-R246 IonicContact OD1-NH2 3.29Å; D221-R246 IonicContact OD2-CZ 3.24Å; D221-R246 IonicContact OD2-NH1 2.76Å; D221-R246 PolarHBondContact OD2-NH1 3.3Å; D221-R246 IonicContact OD2-NH2 3.55Å; D221-R246 PolarHBondContact OD2-NH2 2.91Å | ||
| 222 | M | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -58.8 | -37.6 | -179.9 | -172.9 | 68.3 | -164.2 | 0 | 0 | 113 | L180 L195 F211 F214 I226 V242 | L180-M222 HydrophobicContact CB-CE 4.24Å; L180-M222 HydrophobicContact CD1-CE 3.9Å; L180-M222 HydrophobicContact CD1-SD 4.13Å; L180-M222 HydrophobicContact CD2-CE 4.21Å; L180-M222 HydrophobicContact CG-CE 4.35Å; L195-M222 HydrophobicContact CD1-CE 4.38Å; F211-M222 HydrophobicContact CD1-CB 4.27Å; F211-M222 HydrophobicContact CD1-CG 3.91Å; F211-M222 HydrophobicContact CD1-SD 4.48Å; F211-M222 HydrophobicContact CE1-CG 4.11Å; F214-M222 HydrophobicContact CD1-CB 4.25Å; F214-M222 HydrophobicContact CD1-SD 3.93Å; F214-M222 HydrophobicContact CD2-SD 3.8Å; F214-M222 HydrophobicContact CE1-CB 4.48Å; F214-M222 HydrophobicContact CE1-SD 3.98Å; F214-M222 HydrophobicContact CE2-SD 3.79Å; F214-M222 HydrophobicContact CG-SD 3.86Å; F214-M222 HydrophobicContact CZ-SD 3.91Å; M222-I226 HydrophobicContact CE-CD1 3.73Å; M222-I226 HydrophobicContact CE-CG1 3.87Å; M222-I226 HydrophobicContact CG-CD1 4.06Å; M222-I226 WeakPolarHBondContact O-CD1 3.32Å; M222-I226 VanDerWaalsContact O-CG1 3.28Å; M222-I226 WeakPolarHBondContact O-CG1 3.4Å; M222-I226 PolarHBondContact O-N 3.07Å; M222-V242 HydrophobicContact CB-CG1 4.29Å; M222-V242 HydrophobicContact CG-CG1 4.26Å; M222-V242 HydrophobicContact CG-CG2 3.92Å |
| 223 | V | 97.7 | Very high | 97 | Very high | 19 Ų | 19 | 53.4 Ų | 53.4 | 12% | 0.115 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -68.1 | -43.6 | 179.2 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | D221 I226 N227 V239 V242 L243 | D221-V223 VanDerWaalsContact C-N 3.29Å; D221-V223 PolarHBondContact O-N 3.35Å; D221-V223 WeakPolarHBondContact OD1-CB 3.32Å; D221-V223 PolarHBondContact OD1-N 2.86Å; V223-I226 PolarHBondContact O-N 2.72Å; V223-N227 WeakPolarHBondContact O-CB 3.37Å; V223-N227 PolarHBondContact O-N 2.75Å; V223-N227 PolarHBondContact O-ND2 2.85Å; V223-V239 HydrophobicContact CG1-CG1 3.88Å; V223-V239 HydrophobicContact CG1-CG2 4.26Å; V223-V242 HydrophobicContact CG2-CB 4.25Å; V223-V242 HydrophobicContact CG2-CG1 3.66Å; V223-L243 HydrophobicContact CG2-CD2 4.06Å; V223-L243 HydrophobicContact CG2-CG 4.46Å |
| 224 | D | 97.8 | Very high | 97 | Very high | 87 Ų | 87 | 51.8 Ų | 51.8 | 47% | 0.465 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.7 | -44.8 | 177.8 | -64.7 | -24.9 | 0 | 0 | 0 | 110.9 | Q220 D221 I226 N227 E228 | Q220-D224 HydrophobicContact CG-CB 4.07Å; D221-D224 HydrophobicContact CB-CB 4.28Å; D221-D224 PolarHBondContact O-N 3.49Å; D224-I226 PolarHBondContact O-N 2.73Å; D224-N227 PolarHBondContact O-N 3.15Å; D224-E228 WeakPolarHBondContact O-CG 3.27Å; D224-E228 PolarHBondContact O-N 2.95Å |
| 225 | A | 97.4 | Very high | 97 | Very high | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.008 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.3 | -45.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F214 Q220 D221 N227 E228 C229 | F214-A225 HydrophobicContact CE1-CB 3.79Å; F214-A225 HydrophobicContact CZ-CB 3.54Å; Q220-A225 HydrophobicContact CG-CB 4.35Å; D221-A225 PolarHBondContact O-N 3.24Å; A225-N227 VanDerWaalsContact C-N 3.35Å; A225-N227 PolarHBondContact O-N 3.41Å; A225-E228 PolarHBondContact O-N 3.33Å; A225-C229 WeakPolarHBondContact O-CB 3.37Å; A225-C229 PolarHBondContact O-N 3.36Å; A225-C229 PolarHBondContact O-SG 3.05Å |
| 226 | I | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.8 | -44.6 | 175.9 | -71.4 | 164.4 | 0 | 0 | 0 | 111 | M222 V223 D224 E228 C229 Y230 Q235 L238 V239 V242 | M222-I226 HydrophobicContact CE-CD1 3.73Å; M222-I226 HydrophobicContact CE-CG1 3.87Å; M222-I226 HydrophobicContact CG-CD1 4.06Å; M222-I226 WeakPolarHBondContact O-CD1 3.32Å; M222-I226 VanDerWaalsContact O-CG1 3.28Å; M222-I226 WeakPolarHBondContact O-CG1 3.4Å; M222-I226 PolarHBondContact O-N 3.07Å; V223-I226 PolarHBondContact O-N 2.72Å; D224-I226 PolarHBondContact O-N 2.73Å; I226-E228 VanDerWaalsContact C-N 3.3Å; I226-E228 PolarHBondContact O-N 2.97Å; I226-C229 PolarHBondContact O-N 2.92Å; I226-C229 VanDerWaalsContact O-N 3.1Å; I226-Y230 HydrophobicContact CG2-CD2 4.3Å; I226-Y230 PolarHBondContact O-N 3.39Å; I226-Q235 HydrophobicContact CG2-CG 3.88Å; I226-L238 HydrophobicContact CD1-CB 4.01Å; I226-L238 HydrophobicContact CG2-CB 3.98Å; I226-L238 HydrophobicContact CG2-CD1 4.35Å; I226-V239 HydrophobicContact CB-CG2 4.21Å; I226-V239 HydrophobicContact CG2-CG2 3.6Å; I226-V242 HydrophobicContact CD1-CG2 3.73Å |
| 227 | N | 97.4 | Very high | 97.1 | Very high | 69 Ų | 69 | 47.3 Ų | 47.3 | 37% | 0.369 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -64.6 | -31.6 | -179.2 | -71.2 | -27.2 | 0 | 0 | 0 | 113.3 | V223 D224 A225 Q235 V239 | V223-N227 WeakPolarHBondContact O-CB 3.37Å; V223-N227 PolarHBondContact O-N 2.75Å; V223-N227 PolarHBondContact O-ND2 2.85Å; D224-N227 PolarHBondContact O-N 3.15Å; A225-N227 VanDerWaalsContact C-N 3.35Å; A225-N227 PolarHBondContact O-N 3.41Å; N227-Q235 PolarHBondContact OD1-NE2 3.21Å; N227-V239 WeakPolarHBondContact OD1-CG2 3.39Å |
| 228 | E | 96.4 | Very high | 97.2 | Very high | 133 Ų | 133 | 43.8 Ų | 43.8 | 62% | 0.621 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -81.2 | -23.2 | 173.8 | -70.2 | 176.7 | -174.2 | 0 | 0 | 112.6 | K187 Q220 D224 A225 I226 | K187-E228 PolarHBondContact NZ-O 3.42Å; Q220-E228 PolarHBondContact NE2-OE1 2.84Å; Q220-E228 VanDerWaalsContact NE2-OE1 3.14Å; Q220-E228 PolarHBondContact NE2-OE2 3.02Å; D224-E228 WeakPolarHBondContact O-CG 3.27Å; D224-E228 PolarHBondContact O-N 2.95Å; A225-E228 PolarHBondContact O-N 3.33Å; I226-E228 VanDerWaalsContact C-N 3.3Å; I226-E228 PolarHBondContact O-N 2.97Å |
| 229 | C | 94.4 | Very high | 97.3 | Very high | 20 Ų | 20 | 43 Ų | 43 | 14% | 0.135 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -93.7 | -36.8 | -170.8 | -70.8 | 0 | 0 | 0 | 0 | 115 | C184 K187 A225 I226 | C184-C229 VanDerWaalsContact CA-SG 3.59Å; C184-C229 HydrophobicContact CB-CB 4.35Å; C184-C229 WeakPolarHBondContact CB-SG 3.47Å; C184-C229 PolarHBondContact O-SG 3.38Å; K187-C229 HydrophobicContact CD-CB 4.49Å; K187-C229 WeakPolarHBondContact CD-O 3.48Å; K187-C229 WeakPolarHBondContact CE-O 3.45Å; K187-C229 PolarHBondContact NZ-O 3.28Å; A225-C229 WeakPolarHBondContact O-CB 3.37Å; A225-C229 PolarHBondContact O-N 3.36Å; A225-C229 PolarHBondContact O-SG 3.05Å; I226-C229 PolarHBondContact O-N 2.92Å; I226-C229 VanDerWaalsContact O-N 3.1Å |
| 230 | Y | 96.5 | Very high | 97.5 | Very high | 13 Ų | 13 | 40 Ų | 40 | 5% | 0.051 | 21% | 0.209 | C | C | . | . | trans | -130.9 | 163.8 | -172 | -53.1 | -62.1 | 0 | 0 | 0 | 110.6 | A183 K187 K192 L195 I226 F234 Q235 L238 | A183-Y230 VanDerWaalsContact C-OH 3.3Å; A183-Y230 PolarHBondContact O-OH 3.34Å; K187-Y230 HydrophobicContact CB-CE1 4.27Å; K187-Y230 HydrophobicContact CG-CE1 4.25Å; K192-Y230 HydrophobicContact CD-CE1 4.35Å; K192-Y230 HydrophobicContact CG-CE1 3.89Å; L195-Y230 HydrophobicContact CD1-CE2 3.85Å; I226-Y230 HydrophobicContact CG2-CD2 4.3Å; I226-Y230 PolarHBondContact O-N 3.39Å; Y230-F234 HydrophobicContact CD1-CD1 4.47Å; Y230-F234 HydrophobicContact CD1-CE1 4.13Å; Y230-F234 HydrophobicContact CE1-CE1 4.44Å; Y230-F234 HydrophobicContact CG-CD1 4.37Å; Y230-F234 HydrophobicContact CG-CE1 4.19Å; Y230-Q235 VanDerWaalsContact O-CG 3.31Å; Y230-Q235 WeakPolarHBondContact O-CG 3.28Å; Y230-Q235 PolarHBondContact O-OE1 3.2Å; Y230-Q235 VanDerWaalsContact O-OE1 3.07Å; Y230-L238 HydrophobicContact CD2-CD1 3.83Å; Y230-L238 HydrophobicContact CE2-CD1 4.14Å | ||
| 231 | D | 95.6 | Very high | 97.6 | Very high | 129 Ų | 129 | 37.5 Ų | 37.5 | 69% | 0.69 | 20% | 0.197 | S | C | * | . | trans | -129.9 | 167.6 | 180 | 55.5 | 6.5 | 0 | 0 | 0 | 112.7 | Q235 | D231-Q235 VanDerWaalsContact CA-OE1 3.27Å; D231-Q235 PolarHBondContact O-N 2.9Å | ||
| 232 | G | 97.6 | Very high | 97.6 | Very high | 39 Ų | 39 | 35.9 Ų | 35.9 | 40% | 0.402 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | 61.6 | -157.3 | 173 | 0 | 0 | 0 | 0 | 0 | 114.4 | F234 Q235 E236 | G232-F234 PolarHBondContact O-N 3.26Å; G232-Q235 WeakPolarHBondContact O-CB 3.38Å; G232-Q235 PolarHBondContact O-N 3.46Å; G232-E236 PolarHBondContact O-N 3.45Å |
| 233 | Y | 98.1 | Very high | 97.7 | Very high | 87 Ų | 87 | 37.6 Ų | 37.6 | 34% | 0.341 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.1 | -24 | -173.7 | -61.7 | -53.6 | 0 | 0 | 0 | 114.6 | E109 I113 F151 L237 | E109-Y233 HydrophobicContact CB-CD1 3.68Å; E109-Y233 HydrophobicContact CB-CD2 3.8Å; E109-Y233 HydrophobicContact CB-CE1 3.74Å; E109-Y233 HydrophobicContact CB-CE2 3.82Å; E109-Y233 HydrophobicContact CB-CG 3.69Å; E109-Y233 VanDerWaalsContact CD-CZ 3.5Å; E109-Y233 HydrophobicContact CG-CD1 4.35Å; E109-Y233 HydrophobicContact CG-CD2 3.52Å; E109-Y233 HydrophobicContact CG-CE1 4.36Å; E109-Y233 HydrophobicContact CG-CE2 3.49Å; E109-Y233 VanDerWaalsContact CG-CE2 3.49Å; E109-Y233 HydrophobicContact CG-CG 3.93Å; E109-Y233 WeakPolarHBondContact OE1-CE2 3.36Å; E109-Y233 WeakPolarHBondContact OE2-CE2 3.15Å; E109-Y233 PolarHBondContact OE2-OH 3.19Å; I113-Y233 HydrophobicContact CD1-CD1 4.15Å; F151-Y233 VanDerWaalsContact CD2-O 3.25Å; F151-Y233 WeakPolarHBondContact CD2-O 3.48Å; F151-Y233 WeakPolarHBondContact CE2-O 3.26Å; Y233-L237 VanDerWaalsContact O-CB 3.25Å; Y233-L237 WeakPolarHBondContact O-CB 3.23Å; Y233-L237 PolarHBondContact O-N 3.45Å |
| 234 | F | 98.2 | Very high | 97.7 | Very high | 18 Ų | 18 | 36.9 Ų | 36.9 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.2 | -50.8 | 171.3 | 179 | -123.7 | 0 | 0 | 0 | 110.3 | H150 F151 T154 K192 Q196 Y230 G232 E236 L237 L238 | H150-F234 HydrophobicContact CB-CD1 4.25Å; H150-F234 HydrophobicContact CB-CD2 3.81Å; H150-F234 HydrophobicContact CB-CE1 4.21Å; H150-F234 HydrophobicContact CB-CE2 3.8Å; H150-F234 HydrophobicContact CB-CG 4.04Å; H150-F234 HydrophobicContact CB-CZ 3.97Å; F151-F234 HydrophobicContact CB-CB 4.27Å; T154-F234 WeakPolarHBondContact OG1-CE2 3.47Å; K192-F234 HydrophobicContact CB-CE1 4.36Å; K192-F234 HydrophobicContact CB-CZ 4.23Å; K192-F234 HydrophobicContact CD-CE1 3.95Å; K192-F234 HydrophobicContact CG-CE1 4.02Å; K192-F234 HydrophobicContact CG-CZ 4.38Å; Q196-F234 HydrophobicContact CG-CE2 3.89Å; Q196-F234 HydrophobicContact CG-CZ 4.12Å; Y230-F234 HydrophobicContact CD1-CD1 4.47Å; Y230-F234 HydrophobicContact CD1-CE1 4.13Å; Y230-F234 HydrophobicContact CE1-CE1 4.44Å; Y230-F234 HydrophobicContact CG-CD1 4.37Å; Y230-F234 HydrophobicContact CG-CE1 4.19Å; G232-F234 PolarHBondContact O-N 3.26Å; F234-E236 PolarHBondContact O-N 3.02Å; F234-L237 PolarHBondContact O-N 3.42Å; F234-L238 HydrophobicContact CD1-CD1 4.26Å; F234-L238 HydrophobicContact CD2-CD1 4.42Å; F234-L238 HydrophobicContact CD2-CD2 4.49Å; F234-L238 HydrophobicContact CD2-CG 4.31Å; F234-L238 HydrophobicContact CE1-CD1 3.79Å; F234-L238 HydrophobicContact CE2-CD1 3.92Å; F234-L238 HydrophobicContact CE2-CD2 3.81Å; F234-L238 HydrophobicContact CE2-CG 3.96Å; F234-L238 HydrophobicContact CZ-CD1 3.61Å; F234-L238 HydrophobicContact CZ-CD2 4.17Å; F234-L238 HydrophobicContact CZ-CG 4.18Å; F234-L238 VanDerWaalsContact O-CG 3.3Å; F234-L238 WeakPolarHBondContact O-CG 3.39Å; F234-L238 PolarHBondContact O-N 3.13Å; F234-L238 VanDerWaalsContact O-N 3.12Å |
| 235 | Q | 98.2 | Very high | 97.6 | Very high | 40 Ų | 40 | 33.5 Ų | 33.5 | 19% | 0.187 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.3 | -50.3 | 174.4 | 179.2 | -149.3 | -20.1 | 0 | 0 | 111.6 | I226 N227 Y230 D231 G232 L237 L238 V239 | I226-Q235 HydrophobicContact CG2-CG 3.88Å; N227-Q235 PolarHBondContact OD1-NE2 3.21Å; Y230-Q235 VanDerWaalsContact O-CG 3.31Å; Y230-Q235 WeakPolarHBondContact O-CG 3.28Å; Y230-Q235 PolarHBondContact O-OE1 3.2Å; Y230-Q235 VanDerWaalsContact O-OE1 3.07Å; D231-Q235 VanDerWaalsContact CA-OE1 3.27Å; D231-Q235 PolarHBondContact O-N 2.9Å; G232-Q235 WeakPolarHBondContact O-CB 3.38Å; G232-Q235 PolarHBondContact O-N 3.46Å; Q235-L237 VanDerWaalsContact C-N 3.28Å; Q235-L237 PolarHBondContact O-N 2.98Å; Q235-L238 PolarHBondContact O-N 2.95Å; Q235-L238 VanDerWaalsContact O-N 3.14Å; Q235-V239 WeakPolarHBondContact O-CG2 3.46Å; Q235-V239 PolarHBondContact O-N 3Å |
| 236 | E | 98.3 | Very high | 97.5 | Very high | 76 Ų | 76 | 37.5 Ų | 37.5 | 36% | 0.355 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.1 | -39.4 | -178.2 | -69 | 177.8 | -158.4 | 0 | 0 | 112.4 | I113 G232 F234 V239 A240 | I113-E236 HydrophobicContact CD1-CB 3.9Å; G232-E236 PolarHBondContact O-N 3.45Å; F234-E236 PolarHBondContact O-N 3.02Å; E236-V239 PolarHBondContact O-N 3.26Å; E236-A240 WeakPolarHBondContact O-CB 3.22Å; E236-A240 PolarHBondContact O-N 3.02Å |
| 237 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.5 | -44.8 | 175.7 | -178.5 | 55.2 | 0 | 0 | 0 | 112.4 | I113 A117 F151 T154 L155 L158 Y233 F234 Q235 V239 A240 I241 | I113-L237 HydrophobicContact CB-CD1 4.28Å; I113-L237 HydrophobicContact CD1-CB 4.45Å; I113-L237 HydrophobicContact CG1-CB 4.03Å; I113-L237 HydrophobicContact CG1-CD1 4.07Å; I113-L237 HydrophobicContact CG2-CD1 4.1Å; A117-L237 HydrophobicContact CB-CD1 4.22Å; F151-L237 HydrophobicContact CD2-CB 4.17Å; F151-L237 HydrophobicContact CD2-CD2 3.77Å; F151-L237 HydrophobicContact CE2-CB 4.09Å; F151-L237 HydrophobicContact CE2-CD2 3.84Å; T154-L237 VanDerWaalsContact CB-CD2 3.48Å; T154-L237 HydrophobicContact CG2-CD2 3.44Å; T154-L237 VanDerWaalsContact CG2-CD2 3.44Å; T154-L237 HydrophobicContact CG2-CG 3.88Å; L155-L237 HydrophobicContact CD2-CD1 3.99Å; L155-L237 HydrophobicContact CD2-CD2 3.54Å; L155-L237 HydrophobicContact CD2-CG 4.43Å; L155-L237 HydrophobicContact CG-CD2 3.86Å; L158-L237 HydrophobicContact CD1-CD1 3.82Å; L158-L237 HydrophobicContact CD1-CG 4.48Å; Y233-L237 VanDerWaalsContact O-CB 3.25Å; Y233-L237 WeakPolarHBondContact O-CB 3.23Å; Y233-L237 PolarHBondContact O-N 3.45Å; F234-L237 PolarHBondContact O-N 3.42Å; Q235-L237 VanDerWaalsContact C-N 3.28Å; Q235-L237 PolarHBondContact O-N 2.98Å; L237-V239 VanDerWaalsContact C-N 3.35Å; L237-V239 PolarHBondContact O-N 3.09Å; L237-A240 WeakPolarHBondContact O-CB 3.44Å; L237-A240 PolarHBondContact O-N 3.16Å; L237-I241 HydrophobicContact CG-CD1 4.44Å; L237-I241 WeakPolarHBondContact O-CG1 3.41Å; L237-I241 PolarHBondContact O-N 2.95Å |
| 238 | L | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.6 | -44.1 | 177.9 | -60.9 | 176.8 | 0 | 0 | 0 | 111 | T154 L195 L199 I226 Y230 F234 Q235 A240 I241 V242 | T154-L238 HydrophobicContact CG2-CD2 4.36Å; L195-L238 HydrophobicContact CD2-CD1 3.54Å; L195-L238 HydrophobicContact CD2-CD2 3.53Å; L195-L238 HydrophobicContact CD2-CG 4.11Å; L199-L238 HydrophobicContact CD1-CB 4.42Å; L199-L238 HydrophobicContact CD1-CD2 4Å; I226-L238 HydrophobicContact CD1-CB 4.01Å; I226-L238 HydrophobicContact CG2-CB 3.98Å; I226-L238 HydrophobicContact CG2-CD1 4.35Å; Y230-L238 HydrophobicContact CD2-CD1 3.83Å; Y230-L238 HydrophobicContact CE2-CD1 4.14Å; F234-L238 HydrophobicContact CD1-CD1 4.26Å; F234-L238 HydrophobicContact CD2-CD1 4.42Å; F234-L238 HydrophobicContact CD2-CD2 4.49Å; F234-L238 HydrophobicContact CD2-CG 4.31Å; F234-L238 HydrophobicContact CE1-CD1 3.79Å; F234-L238 HydrophobicContact CE2-CD1 3.92Å; F234-L238 HydrophobicContact CE2-CD2 3.81Å; F234-L238 HydrophobicContact CE2-CG 3.96Å; F234-L238 HydrophobicContact CZ-CD1 3.61Å; F234-L238 HydrophobicContact CZ-CD2 4.17Å; F234-L238 HydrophobicContact CZ-CG 4.18Å; F234-L238 VanDerWaalsContact O-CG 3.3Å; F234-L238 WeakPolarHBondContact O-CG 3.39Å; F234-L238 PolarHBondContact O-N 3.13Å; F234-L238 VanDerWaalsContact O-N 3.12Å; Q235-L238 PolarHBondContact O-N 2.95Å; Q235-L238 VanDerWaalsContact O-N 3.14Å; L238-A240 VanDerWaalsContact C-N 3.33Å; L238-A240 PolarHBondContact O-N 2.85Å; L238-I241 PolarHBondContact O-N 2.99Å; L238-V242 WeakPolarHBondContact O-CG2 3.47Å; L238-V242 PolarHBondContact O-N 3.04Å; L238-V242 VanDerWaalsContact O-N 3.08Å |
| 239 | V | 98.6 | Very high | 97.5 | Very high | 18 Ų | 18 | 32.7 Ų | 32.7 | 11% | 0.109 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 174.7 | 173.2 | 0 | 0 | 0 | 0 | 110.8 | V223 I226 N227 Q235 E236 L237 I241 V242 L243 | V223-V239 HydrophobicContact CG1-CG1 3.88Å; V223-V239 HydrophobicContact CG1-CG2 4.26Å; I226-V239 HydrophobicContact CB-CG2 4.21Å; I226-V239 HydrophobicContact CG2-CG2 3.6Å; N227-V239 WeakPolarHBondContact OD1-CG2 3.39Å; Q235-V239 WeakPolarHBondContact O-CG2 3.46Å; Q235-V239 PolarHBondContact O-N 3Å; E236-V239 PolarHBondContact O-N 3.26Å; L237-V239 VanDerWaalsContact C-N 3.35Å; L237-V239 PolarHBondContact O-N 3.09Å; V239-I241 VanDerWaalsContact C-N 3.32Å; V239-I241 PolarHBondContact O-N 3.15Å; V239-V242 PolarHBondContact O-N 3.16Å; V239-L243 HydrophobicContact CG1-CD1 3.71Å; V239-L243 HydrophobicContact CG1-CG 4.05Å; V239-L243 WeakPolarHBondContact O-CB 3.25Å; V239-L243 VanDerWaalsContact O-CG 3.31Å; V239-L243 WeakPolarHBondContact O-CG 3.29Å; V239-L243 PolarHBondContact O-N 3.34Å |
| 240 | A | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.3 | -41.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | I113 A117 E236 L237 L238 L243 C244 Y251 | I113-A240 HydrophobicContact CG2-CB 3.48Å; I113-A240 VanDerWaalsContact CG2-CB 3.48Å; A117-A240 HydrophobicContact CB-CB 3.9Å; E236-A240 WeakPolarHBondContact O-CB 3.22Å; E236-A240 PolarHBondContact O-N 3.02Å; L237-A240 WeakPolarHBondContact O-CB 3.44Å; L237-A240 PolarHBondContact O-N 3.16Å; L238-A240 VanDerWaalsContact C-N 3.33Å; L238-A240 PolarHBondContact O-N 2.85Å; A240-L243 PolarHBondContact O-N 3.2Å; A240-C244 VanDerWaalsContact O-CB 3.3Å; A240-C244 WeakPolarHBondContact O-CB 3.29Å; A240-C244 PolarHBondContact O-N 3.07Å; A240-C244 PolarHBondContact O-SG 3.27Å; A240-Y251 HydrophobicContact CB-CE2 3.7Å |
| 241 | I | 98.6 | Very high | 97.8 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -61.1 | -50 | 174.9 | -63.3 | 163.2 | 0 | 0 | 0 | 110.3 | A117 T154 L158 L199 L237 L238 V239 L243 C244 V245 | A117-I241 HydrophobicContact CB-CG1 4.02Å; T154-I241 HydrophobicContact CG2-CD1 4.05Å; L158-I241 HydrophobicContact CD1-CD1 4.01Å; L158-I241 HydrophobicContact CD1-CG1 4.18Å; L158-I241 HydrophobicContact CD2-CD1 4.22Å; L158-I241 HydrophobicContact CD2-CG1 4.37Å; L158-I241 HydrophobicContact CG-CD1 4.49Å; L199-I241 HydrophobicContact CB-CG2 4.22Å; L199-I241 WeakPolarHBondContact O-CG2 3.35Å; L237-I241 HydrophobicContact CG-CD1 4.44Å; L237-I241 WeakPolarHBondContact O-CG1 3.41Å; L237-I241 PolarHBondContact O-N 2.95Å; L238-I241 PolarHBondContact O-N 2.99Å; V239-I241 VanDerWaalsContact C-N 3.32Å; V239-I241 PolarHBondContact O-N 3.15Å; I241-L243 VanDerWaalsContact C-N 3.34Å; I241-L243 PolarHBondContact O-N 2.61Å; I241-C244 PolarHBondContact O-N 3.35Å; I241-V245 HydrophobicContact CG2-CG2 4.46Å; I241-V245 VanDerWaalsContact O-CG2 3.28Å; I241-V245 WeakPolarHBondContact O-CG2 3.36Å; I241-V245 PolarHBondContact O-N 3.27Å |
| 242 | V | 98.3 | Very high | 97.9 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -59.6 | -45.2 | -179.5 | 175.1 | 0 | 0 | 0 | 0 | 111.2 | L199 F211 M222 V223 I226 L238 V239 V245 R246 | L199-V242 HydrophobicContact CD1-CG2 4.49Å; F211-V242 HydrophobicContact CD2-CG1 4.16Å; F211-V242 HydrophobicContact CE1-CG2 4.16Å; F211-V242 HydrophobicContact CE2-CB 4.25Å; F211-V242 HydrophobicContact CE2-CG1 3.83Å; F211-V242 HydrophobicContact CE2-CG2 4.26Å; F211-V242 HydrophobicContact CZ-CB 4.22Å; F211-V242 HydrophobicContact CZ-CG1 4.14Å; F211-V242 HydrophobicContact CZ-CG2 3.75Å; M222-V242 HydrophobicContact CB-CG1 4.29Å; M222-V242 HydrophobicContact CG-CG1 4.26Å; M222-V242 HydrophobicContact CG-CG2 3.92Å; V223-V242 HydrophobicContact CG2-CB 4.25Å; V223-V242 HydrophobicContact CG2-CG1 3.66Å; I226-V242 HydrophobicContact CD1-CG2 3.73Å; L238-V242 WeakPolarHBondContact O-CG2 3.47Å; L238-V242 PolarHBondContact O-N 3.04Å; L238-V242 VanDerWaalsContact O-N 3.08Å; V239-V242 PolarHBondContact O-N 3.16Å; V242-V245 PolarHBondContact O-N 3.41Å; V242-R246 WeakPolarHBondContact O-CG 3.41Å; V242-R246 PolarHBondContact O-N 3.09Å; V242-R246 VanDerWaalsContact O-N 3.08Å |
| 243 | L | 98.3 | Very high | 98 | Very high | 37 Ų | 37 | 24.5 Ų | 24.5 | 19% | 0.194 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -66.2 | -41.4 | 178.7 | -67.3 | 178.4 | 0 | 0 | 0 | 112.1 | V223 V239 A240 I241 V245 R246 D247 Y251 | V223-L243 HydrophobicContact CG2-CD2 4.06Å; V223-L243 HydrophobicContact CG2-CG 4.46Å; V239-L243 HydrophobicContact CG1-CD1 3.71Å; V239-L243 HydrophobicContact CG1-CG 4.05Å; V239-L243 WeakPolarHBondContact O-CB 3.25Å; V239-L243 VanDerWaalsContact O-CG 3.31Å; V239-L243 WeakPolarHBondContact O-CG 3.29Å; V239-L243 PolarHBondContact O-N 3.34Å; A240-L243 PolarHBondContact O-N 3.2Å; I241-L243 VanDerWaalsContact C-N 3.34Å; I241-L243 PolarHBondContact O-N 2.61Å; L243-V245 VanDerWaalsContact C-N 3.28Å; L243-V245 PolarHBondContact O-N 3.39Å; L243-R246 PolarHBondContact O-N 3Å; L243-D247 CarbonylContact O-C 3.59Å; L243-D247 PolarHBondContact O-N 2.71Å; L243-Y251 HydrophobicContact CB-CD2 3.81Å; L243-Y251 HydrophobicContact CB-CG 4.3Å; L243-Y251 HydrophobicContact CD1-CD2 4.02Å |
| 244 | C | 98 | Very high | 98 | Very high | 4 Ų | 4 | 24.6 Ų | 24.6 | 3% | 0.027 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63 | -34.1 | 175.6 | -76 | 0 | 0 | 0 | 0 | 112.7 | A240 I241 Y251 | A240-C244 VanDerWaalsContact O-CB 3.3Å; A240-C244 WeakPolarHBondContact O-CB 3.29Å; A240-C244 PolarHBondContact O-N 3.07Å; A240-C244 PolarHBondContact O-SG 3.27Å; I241-C244 PolarHBondContact O-N 3.35Å; C244-Y251 WeakPolarHBondContact SG-CD1 3.43Å |
| 245 | V | 96.7 | Very high | 98 | Very high | 16 Ų | 16 | 24.8 Ų | 24.8 | 10% | 0.097 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -70 | -39 | 175.3 | 169.9 | 0 | 0 | 0 | 0 | 111.7 | Y204 L207 F211 I241 V242 L243 | Y204-V245 HydrophobicContact CD1-CB 4Å; Y204-V245 HydrophobicContact CD1-CG1 4.18Å; Y204-V245 HydrophobicContact CD1-CG2 3.6Å; Y204-V245 HydrophobicContact CE1-CB 4.25Å; Y204-V245 HydrophobicContact CE1-CG2 3.64Å; L207-V245 HydrophobicContact CB-CG1 3.82Å; L207-V245 HydrophobicContact CB-CG2 4.35Å; L207-V245 HydrophobicContact CD1-CG2 3.83Å; F211-V245 HydrophobicContact CD2-CG1 4.36Å; F211-V245 HydrophobicContact CE2-CB 3.94Å; F211-V245 HydrophobicContact CE2-CG1 3.71Å; I241-V245 HydrophobicContact CG2-CG2 4.46Å; I241-V245 VanDerWaalsContact O-CG2 3.28Å; I241-V245 WeakPolarHBondContact O-CG2 3.36Å; I241-V245 PolarHBondContact O-N 3.27Å; V242-V245 PolarHBondContact O-N 3.41Å; L243-V245 VanDerWaalsContact C-N 3.28Å; L243-V245 PolarHBondContact O-N 3.39Å |
| 246 | R | 95.6 | Very high | 98 | Very high | 84 Ų | 84 | 22.9 Ų | 22.9 | 32% | 0.317 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -75.3 | -55.1 | -177 | -74.8 | 175.8 | 171.4 | -177 | -7.7 | 113 | F211 D221 V242 L243 | F211-R246 HydrophobicContact CD2-CG 4.39Å; D221-R246 VanDerWaalsContact CG-NH1 3.28Å; D221-R246 IonicContact OD1-CZ 2.7Å; D221-R246 IonicContact OD1-NH1 3.58Å; D221-R246 PolarHBondContact OD1-NH1 3.07Å; D221-R246 IonicContact OD1-NH2 3.29Å; D221-R246 IonicContact OD2-CZ 3.24Å; D221-R246 IonicContact OD2-NH1 2.76Å; D221-R246 PolarHBondContact OD2-NH1 3.3Å; D221-R246 IonicContact OD2-NH2 3.55Å; D221-R246 PolarHBondContact OD2-NH2 2.91Å; V242-R246 WeakPolarHBondContact O-CG 3.41Å; V242-R246 PolarHBondContact O-N 3.09Å; V242-R246 VanDerWaalsContact O-N 3.08Å; L243-R246 PolarHBondContact O-N 3Å |
| 247 | D | 96.1 | Very high | 97.9 | Very high | 48 Ų | 48 | 22.3 Ų | 22.3 | 26% | 0.257 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -159.4 | 93.6 | -178.2 | -174.3 | -27 | 0 | 0 | 0 | 108.4 | L243 P249 A250 Y251 R288 | L243-D247 CarbonylContact O-C 3.59Å; L243-D247 PolarHBondContact O-N 2.71Å; D247-P249 WeakPolarHBondContact OD1-CD 3.43Å; D247-A250 HydrophobicContact CB-CB 3.77Å; D247-A250 VanDerWaalsContact CG-CB 3.43Å; D247-A250 PolarHBondContact O-N 3.38Å; D247-A250 VanDerWaalsContact O-N 3.13Å; D247-A250 PolarHBondContact OD1-N 2.85Å; D247-Y251 PolarHBondContact O-N 2.74Å; D247-R288 IonicContact OD2-CZ 3.2Å; D247-R288 IonicContact OD2-NE 2.69Å; D247-R288 PolarHBondContact OD2-NE 2.72Å; D247-R288 IonicContact OD2-NH2 2.88Å |
| 248 | K | 97.1 | Very high | 97.8 | Very high | 39 Ų | 39 | 22.6 Ų | 22.6 | 17% | 0.17 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.2 | -42.7 | -179.3 | -172.8 | -178.6 | -56.6 | -174.1 | 0 | 112.9 | S118 A250 Y251 F252 | S118-K248 VanDerWaalsContact O-CE 3.32Å; S118-K248 WeakPolarHBondContact O-CE 3.33Å; S118-K248 PolarHBondContact O-NZ 2.81Å; K248-A250 VanDerWaalsContact C-N 3.33Å; K248-A250 PolarHBondContact O-N 3.25Å; K248-Y251 WeakPolarHBondContact O-CB 3.28Å; K248-Y251 PolarHBondContact O-N 3.34Å; K248-F252 HydrophobicContact CD-CE2 4.16Å; K248-F252 HydrophobicContact CG-CD2 4.05Å; K248-F252 HydrophobicContact CG-CE2 3.72Å; K248-F252 WeakPolarHBondContact O-CD2 3.22Å; K248-F252 PolarHBondContact O-N 3.31Å; K248-F252 VanDerWaalsContact O-N 3.08Å |
| 249 | P | 97.9 | Very high | 97.7 | Very high | 14 Ų | 14 | 22.7 Ų | 22.7 | 9% | 0.091 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -55.8 | -42.7 | 169.5 | -28.8 | 34.3 | 0 | 0 | 0 | 114.1 | D247 Y251 F252 A253 D281 T284 I285 R288 | D247-P249 WeakPolarHBondContact OD1-CD 3.43Å; P249-Y251 VanDerWaalsContact C-N 3.34Å; P249-Y251 PolarHBondContact O-N 3.37Å; P249-F252 PolarHBondContact O-N 3.09Å; P249-A253 WeakPolarHBondContact O-CB 3.47Å; P249-A253 PolarHBondContact O-N 2.91Å; P249-D281 HydrophobicContact CG-CB 4.43Å; P249-T284 HydrophobicContact CB-CG2 3.81Å; P249-T284 HydrophobicContact CG-CG2 3.86Å; P249-I285 HydrophobicContact CB-CG1 3.99Å; P249-R288 HydrophobicContact CB-CG 4.2Å |
| 250 | A | 97.8 | Very high | 97.6 | Very high | 23 Ų | 23 | 21.9 Ų | 21.9 | 19% | 0.19 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -67.2 | -33.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | D247 K248 A253 Y254 R288 | D247-A250 HydrophobicContact CB-CB 3.77Å; D247-A250 VanDerWaalsContact CG-CB 3.43Å; D247-A250 PolarHBondContact O-N 3.38Å; D247-A250 VanDerWaalsContact O-N 3.13Å; D247-A250 PolarHBondContact OD1-N 2.85Å; K248-A250 VanDerWaalsContact C-N 3.33Å; K248-A250 PolarHBondContact O-N 3.25Å; A250-A253 PolarHBondContact O-N 3.39Å; A250-Y254 PolarHBondContact O-N 3.03Å; A250-R288 HydrophobicContact CB-CB 4.38Å; A250-R288 HydrophobicContact CB-CG 4.29Å |
| 251 | Y | 98.5 | Very high | 97.4 | Very high | 5 Ų | 5 | 24.6 Ų | 24.6 | 2% | 0.02 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -60.3 | -49.6 | 171 | 169.1 | -106.2 | 0 | 0 | 0 | 111.6 | E114 A240 L243 C244 D247 K248 P249 A253 Y254 R255 | E114-Y251 WeakPolarHBondContact CA-OH 3.38Å; E114-Y251 HydrophobicContact CG-CE1 4.43Å; A240-Y251 HydrophobicContact CB-CE2 3.7Å; L243-Y251 HydrophobicContact CB-CD2 3.81Å; L243-Y251 HydrophobicContact CB-CG 4.3Å; L243-Y251 HydrophobicContact CD1-CD2 4.02Å; C244-Y251 WeakPolarHBondContact SG-CD1 3.43Å; D247-Y251 PolarHBondContact O-N 2.74Å; K248-Y251 WeakPolarHBondContact O-CB 3.28Å; K248-Y251 PolarHBondContact O-N 3.34Å; P249-Y251 VanDerWaalsContact C-N 3.34Å; P249-Y251 PolarHBondContact O-N 3.37Å; Y251-A253 VanDerWaalsContact C-N 3.32Å; Y251-A253 PolarHBondContact O-N 3.05Å; Y251-Y254 WeakPolarHBondContact O-CB 3.41Å; Y251-Y254 PolarHBondContact O-N 3.21Å; Y251-R255 HydrophobicContact CD1-CG 4.38Å; Y251-R255 HydrophobicContact CD2-CG 4.22Å; Y251-R255 HydrophobicContact CE1-CG 3.91Å; Y251-R255 HydrophobicContact CE2-CG 3.72Å; Y251-R255 WeakPolarHBondContact O-CG 3.49Å; Y251-R255 PolarHBondContact O-N 2.88Å |
| 252 | F | 98.7 | Very high | 96.9 | Very high | 1 Ų | 1 | 29.2 Ų | 29.2 | 0% | 0.004 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.7 | -33.8 | 177.7 | -76.1 | -64 | 0 | 0 | 0 | 112.8 | E114 K248 P249 Y254 R255 L256 I273 R277 I285 | E114-F252 HydrophobicContact CG-CE1 3.91Å; K248-F252 HydrophobicContact CD-CE2 4.16Å; K248-F252 HydrophobicContact CG-CD2 4.05Å; K248-F252 HydrophobicContact CG-CE2 3.72Å; K248-F252 WeakPolarHBondContact O-CD2 3.22Å; K248-F252 PolarHBondContact O-N 3.31Å; K248-F252 VanDerWaalsContact O-N 3.08Å; P249-F252 PolarHBondContact O-N 3.09Å; F252-Y254 VanDerWaalsContact C-N 3.33Å; F252-Y254 PolarHBondContact O-N 3.19Å; F252-R255 PolarHBondContact O-N 3.2Å; F252-L256 WeakPolarHBondContact O-CB 3.25Å; F252-L256 WeakPolarHBondContact O-CG 3.23Å; F252-L256 PolarHBondContact O-N 3.1Å; F252-I273 HydrophobicContact CB-CG2 4.2Å; F252-I273 HydrophobicContact CD1-CD1 4.15Å; F252-I273 HydrophobicContact CD1-CG1 4.01Å; F252-I273 HydrophobicContact CD1-CG2 3.85Å; F252-I273 HydrophobicContact CE1-CG1 4.38Å; F252-I273 HydrophobicContact CG-CG2 4.3Å; F252-R277 HydrophobicContact CD1-CG 4.39Å; F252-R277 HydrophobicContact CD2-CG 4.24Å; F252-R277 HydrophobicContact CE1-CG 4.45Å; F252-R277 HydrophobicContact CE2-CG 4.31Å; F252-R277 HydrophobicContact CG-CG 4.29Å; F252-R277 HydrophobicContact CZ-CG 4.42Å; F252-I285 HydrophobicContact CB-CD1 3.53Å; F252-I285 HydrophobicContact CB-CG1 3.9Å; F252-I285 HydrophobicContact CB-CG2 4.22Å; F252-I285 HydrophobicContact CD2-CD1 4.06Å; F252-I285 HydrophobicContact CG-CD1 4.03Å |
| 253 | A | 98.4 | Very high | 96.1 | Very high | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P249 A250 Y251 L256 Y257 I285 R288 Y289 | P249-A253 WeakPolarHBondContact O-CB 3.47Å; P249-A253 PolarHBondContact O-N 2.91Å; A250-A253 PolarHBondContact O-N 3.39Å; Y251-A253 VanDerWaalsContact C-N 3.32Å; Y251-A253 PolarHBondContact O-N 3.05Å; A253-L256 PolarHBondContact O-N 3.16Å; A253-Y257 PolarHBondContact O-N 3.08Å; A253-I285 HydrophobicContact CB-CG2 4.17Å; A253-R288 HydrophobicContact CB-CB 4.05Å; A253-Y289 HydrophobicContact CB-CD2 4.33Å; A253-Y289 WeakPolarHBondContact O-CD2 3.23Å |
| 254 | Y | 97.8 | Very high | 95.1 | Very high | 90 Ų | 90 | 36.6 Ų | 36.6 | 35% | 0.353 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -60.9 | -48.2 | 173.4 | 164.9 | -104.4 | 0 | 0 | 0 | 112.3 | A250 Y251 F252 L256 Y257 S258 Y293 | A250-Y254 PolarHBondContact O-N 3.03Å; Y251-Y254 WeakPolarHBondContact O-CB 3.41Å; Y251-Y254 PolarHBondContact O-N 3.21Å; F252-Y254 VanDerWaalsContact C-N 3.33Å; F252-Y254 PolarHBondContact O-N 3.19Å; Y254-L256 VanDerWaalsContact C-N 3.33Å; Y254-L256 PolarHBondContact O-N 2.89Å; Y254-Y257 PolarHBondContact O-N 3.07Å; Y254-Y257 VanDerWaalsContact O-N 3.13Å; Y254-S258 PolarHBondContact O-N 2.7Å; Y254-Y293 WeakPolarHBondContact CA-OH 3.47Å |
| 255 | R | 98.3 | Very high | 94.7 | Very high | 21 Ų | 21 | 37.3 Ų | 37.3 | 8% | 0.079 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.5 | -42 | 178.8 | -71.3 | -72.6 | -61.2 | -150.7 | 1 | 112.6 | N110 E114 Y251 F252 A259 I273 | N110-R255 PolarHBondContact O-NH1 3.47Å; N110-R255 PolarHBondContact O-NH2 3.27Å; N110-R255 PolarHBondContact OD1-NH1 3.22Å; E114-R255 IonicContact OE2-CZ 3.64Å; E114-R255 IonicContact OE2-NE 3.53Å; E114-R255 PolarHBondContact OE2-NE 3.34Å; E114-R255 IonicContact OE2-NH2 2.84Å; E114-R255 PolarHBondContact OE2-NH2 2.99Å; Y251-R255 HydrophobicContact CD1-CG 4.38Å; Y251-R255 HydrophobicContact CD2-CG 4.22Å; Y251-R255 HydrophobicContact CE1-CG 3.91Å; Y251-R255 HydrophobicContact CE2-CG 3.72Å; Y251-R255 WeakPolarHBondContact O-CG 3.49Å; Y251-R255 PolarHBondContact O-N 2.88Å; F252-R255 PolarHBondContact O-N 3.2Å; R255-A259 VanDerWaalsContact O-CB 3.24Å; R255-A259 WeakPolarHBondContact O-CB 3.46Å; R255-A259 PolarHBondContact O-N 3.05Å; R255-I273 HydrophobicContact CB-CD1 3.6Å |
| 256 | L | 98.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -63.4 | -44.7 | 174.5 | -76.9 | 167.4 | 0 | 0 | 0 | 111.5 | F252 A253 Y254 A259 I260 I273 I274 I285 Y289 L297 | F252-L256 WeakPolarHBondContact O-CB 3.25Å; F252-L256 WeakPolarHBondContact O-CG 3.23Å; F252-L256 PolarHBondContact O-N 3.1Å; A253-L256 PolarHBondContact O-N 3.16Å; Y254-L256 VanDerWaalsContact C-N 3.33Å; Y254-L256 PolarHBondContact O-N 2.89Å; L256-A259 PolarHBondContact O-N 3.43Å; L256-I260 VanDerWaalsContact O-CG1 3.25Å; L256-I260 WeakPolarHBondContact O-CG1 3.19Å; L256-I260 PolarHBondContact O-N 2.89Å; L256-I273 HydrophobicContact CD1-CG2 3.85Å; L256-I273 HydrophobicContact CD2-CB 3.92Å; L256-I273 HydrophobicContact CD2-CD1 4.17Å; L256-I273 HydrophobicContact CD2-CG2 3.93Å; L256-I273 HydrophobicContact CG-CB 4.26Å; L256-I273 HydrophobicContact CG-CD1 4.06Å; L256-I273 HydrophobicContact CG-CG2 3.79Å; L256-I274 HydrophobicContact CD2-CG1 4.32Å; L256-I285 HydrophobicContact CD1-CG2 3.71Å; L256-Y289 HydrophobicContact CB-CD2 4.24Å; L256-Y289 HydrophobicContact CB-CE2 4.04Å; L256-L297 HydrophobicContact CB-CD1 4.21Å; L256-L297 HydrophobicContact CD1-CD1 4.16Å; L256-L297 HydrophobicContact CD1-CD2 3.76Å |
| 257 | Y | 97.4 | Very high | 94.6 | Very high | 64 Ų | 64 | 37.4 Ų | 37.4 | 25% | 0.251 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -61.3 | -49.5 | -179.5 | -178.4 | -87.8 | 0 | 0 | 0 | 111.1 | A253 Y254 A259 I260 H261 Y289 Y293 | A253-Y257 PolarHBondContact O-N 3.08Å; Y254-Y257 PolarHBondContact O-N 3.07Å; Y254-Y257 VanDerWaalsContact O-N 3.13Å; Y257-A259 VanDerWaalsContact C-N 3.35Å; Y257-A259 PolarHBondContact O-N 3.3Å; Y257-I260 PolarHBondContact O-N 3.49Å; Y257-I260 VanDerWaalsContact O-N 3.13Å; Y257-H261 HydrophobicContact CD1-CB 4.48Å; Y257-H261 AromaticContact CD2-CE1 3.96Å; Y257-H261 AromaticContact CD2-ND1 3.68Å; Y257-H261 HydrophobicContact CE1-CB 4.05Å; Y257-H261 AromaticContact CE2-CE1 3.78Å; Y257-H261 AromaticContact CE2-CG 3.94Å; Y257-H261 AromaticContact CE2-ND1 3.63Å; Y257-H261 AromaticContact CZ-CG 3.85Å; Y257-H261 AromaticContact CZ-ND1 3.98Å; Y257-H261 PolarHBondContact O-N 2.85Å; Y257-H261 PolarHBondContact O-ND1 2.66Å; Y257-Y289 HydrophobicContact CD2-CE1 4.44Å; Y257-Y289 HydrophobicContact CD2-CE2 4.25Å; Y257-Y289 AromaticContact CD2-CZ 3.81Å; Y257-Y289 WeakPolarHBondContact CD2-OH 3.32Å; Y257-Y289 HydrophobicContact CG-CE2 4.5Å; Y257-Y293 VanDerWaalsContact CB-CE2 3.41Å; Y257-Y293 VanDerWaalsContact CB-CZ 3.49Å; Y257-Y293 HydrophobicContact CD1-CD1 4.16Å; Y257-Y293 AromaticContact CD1-CE1 3.67Å; Y257-Y293 HydrophobicContact CD1-CE1 3.67Å; Y257-Y293 AromaticContact CD1-CZ 3.89Å; Y257-Y293 AromaticContact CD2-CD1 3.44Å; Y257-Y293 HydrophobicContact CD2-CD1 3.44Å; Y257-Y293 VanDerWaalsContact CD2-CD1 3.44Å; Y257-Y293 AromaticContact CD2-CD2 3.54Å; Y257-Y293 HydrophobicContact CD2-CD2 3.54Å; Y257-Y293 AromaticContact CD2-CE1 3.72Å; Y257-Y293 HydrophobicContact CD2-CE1 3.72Å; Y257-Y293 AromaticContact CD2-CE2 3.85Å; Y257-Y293 HydrophobicContact CD2-CE2 3.85Å; Y257-Y293 AromaticContact CD2-CG 3.34Å; Y257-Y293 HydrophobicContact CD2-CG 3.34Å; Y257-Y293 AromaticContact CD2-CZ 3.92Å; Y257-Y293 HydrophobicContact CE1-CD1 4.2Å; Y257-Y293 AromaticContact CE1-CE1 3.99Å; Y257-Y293 HydrophobicContact CE1-CE1 3.99Å; Y257-Y293 AromaticContact CE2-CD1 3.48Å; Y257-Y293 HydrophobicContact CE2-CD1 3.48Å; Y257-Y293 VanDerWaalsContact CE2-CD1 3.48Å; Y257-Y293 HydrophobicContact CE2-CD2 4.32Å; Y257-Y293 HydrophobicContact CE2-CE1 4.03Å; Y257-Y293 AromaticContact CE2-CG 3.65Å; Y257-Y293 HydrophobicContact CE2-CG 3.65Å; Y257-Y293 AromaticContact CG-CD1 3.79Å; Y257-Y293 HydrophobicContact CG-CD1 3.79Å; Y257-Y293 AromaticContact CG-CD2 3.9Å; Y257-Y293 HydrophobicContact CG-CD2 3.9Å; Y257-Y293 AromaticContact CG-CE1 3.53Å; Y257-Y293 HydrophobicContact CG-CE1 3.53Å; Y257-Y293 AromaticContact CG-CE2 3.68Å; Y257-Y293 HydrophobicContact CG-CE2 3.68Å; Y257-Y293 AromaticContact CG-CG 3.97Å; Y257-Y293 HydrophobicContact CG-CG 3.97Å; Y257-Y293 AromaticContact CG-CZ 3.47Å; Y257-Y293 VanDerWaalsContact CG-CZ 3.47Å; Y257-Y293 AromaticContact CZ-CD1 3.88Å |
| 258 | S | 96.1 | Very high | 94.6 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64 | -39 | 178 | -68.1 | 0 | 0 | 0 | 0 | 112.4 | Y254 I260 D262 F263 | Y254-S258 PolarHBondContact O-N 2.7Å; S258-I260 VanDerWaalsContact C-N 3.28Å; S258-I260 PolarHBondContact O-N 3.35Å; S258-D262 VanDerWaalsContact CA-OD2 3.26Å; S258-D262 WeakPolarHBondContact CA-OD2 3.26Å; S258-D262 WeakPolarHBondContact CB-OD2 3.37Å; S258-D262 WeakPolarHBondContact O-CB 3.32Å; S258-D262 PolarHBondContact O-N 2.56Å; S258-D262 PolarHBondContact OG-OD2 3.24Å; S258-F263 VanDerWaalsContact O-CD2 3.25Å; S258-F263 WeakPolarHBondContact O-CD2 3.24Å; S258-F263 PolarHBondContact O-N 2.83Å; S258-F263 VanDerWaalsContact O-N 3.13Å |
| 259 | A | 96.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 2% | 0.017 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.4 | -39.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R255 L256 Y257 F265 H266 T269 V270 | R255-A259 VanDerWaalsContact O-CB 3.24Å; R255-A259 WeakPolarHBondContact O-CB 3.46Å; R255-A259 PolarHBondContact O-N 3.05Å; L256-A259 PolarHBondContact O-N 3.43Å; Y257-A259 VanDerWaalsContact C-N 3.35Å; Y257-A259 PolarHBondContact O-N 3.3Å; A259-F265 CarbonylContact O-C 3.44Å; A259-F265 WeakPolarHBondContact O-CA 3.38Å; A259-F265 PolarHBondContact O-N 3.16Å; A259-H266 HydrophobicContact CB-CB 4.24Å; A259-H266 PolarHBondContact O-N 3.04Å; A259-T269 HydrophobicContact CB-CG2 3.73Å; A259-V270 HydrophobicContact CB-CG2 3.87Å |
| 260 | I | 96 | Very high | 94.6 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -77.7 | -47.9 | -178.6 | -67.2 | 169.4 | 0 | 0 | 0 | 111.5 | L256 Y257 S258 F265 V270 L297 D300 F304 | L256-I260 VanDerWaalsContact O-CG1 3.25Å; L256-I260 WeakPolarHBondContact O-CG1 3.19Å; L256-I260 PolarHBondContact O-N 2.89Å; Y257-I260 PolarHBondContact O-N 3.49Å; Y257-I260 VanDerWaalsContact O-N 3.13Å; S258-I260 VanDerWaalsContact C-N 3.28Å; S258-I260 PolarHBondContact O-N 3.35Å; I260-F265 HydrophobicContact CB-CD2 4.24Å; I260-F265 HydrophobicContact CG1-CD2 4.03Å; I260-F265 HydrophobicContact CG1-CE2 3.87Å; I260-F265 HydrophobicContact CG2-CD2 3.95Å; I260-F265 HydrophobicContact CG2-CE2 4.24Å; I260-F265 PolarHBondContact O-N 3.02Å; I260-V270 HydrophobicContact CG1-CG2 3.93Å; I260-L297 HydrophobicContact CD1-CD1 3.74Å; I260-D300 HydrophobicContact CD1-CB 4.28Å; I260-D300 HydrophobicContact CG2-CB 4.22Å; I260-F304 HydrophobicContact CG2-CD2 3.51Å; I260-F304 HydrophobicContact CG2-CE2 3.78Å; I260-F304 HydrophobicContact CG2-CG 4.11Å |
| 261 | H | 94.4 | Very high | 94.7 | Very high | 61 Ų | 61 | 37.6 Ų | 37.6 | 28% | 0.282 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -100.7 | -45 | -166.3 | -64.9 | 77.9 | 0 | 0 | 0 | 113.6 | Y257 D300 F304 | Y257-H261 HydrophobicContact CD1-CB 4.48Å; Y257-H261 AromaticContact CD2-CE1 3.96Å; Y257-H261 AromaticContact CD2-ND1 3.68Å; Y257-H261 HydrophobicContact CE1-CB 4.05Å; Y257-H261 AromaticContact CE2-CE1 3.78Å; Y257-H261 AromaticContact CE2-CG 3.94Å; Y257-H261 AromaticContact CE2-ND1 3.63Å; Y257-H261 AromaticContact CZ-CG 3.85Å; Y257-H261 AromaticContact CZ-ND1 3.98Å; Y257-H261 PolarHBondContact O-N 2.85Å; Y257-H261 PolarHBondContact O-ND1 2.66Å; H261-D300 IonicContact CE1-OD2 3.52Å; H261-D300 PolarHBondContact CE1-OD2 3.1Å; H261-D300 VanDerWaalsContact CE1-OD2 3.26Å; H261-D300 IonicContact NE2-OD1 3.16Å; H261-D300 IonicContact NE2-OD2 2.72Å; H261-F304 AromaticContact NE2-CE2 3.77Å |
| 262 | D | 89.6 | Confident | 94.7 | Very high | 98 Ų | 98 | 37.4 Ų | 37.4 | 52% | 0.524 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -31.7 | -169.9 | -56.6 | -26.3 | 0 | 0 | 0 | 111.3 | S258 | S258-D262 VanDerWaalsContact CA-OD2 3.26Å; S258-D262 WeakPolarHBondContact CA-OD2 3.26Å; S258-D262 WeakPolarHBondContact CB-OD2 3.37Å; S258-D262 WeakPolarHBondContact O-CB 3.32Å; S258-D262 PolarHBondContact O-N 2.56Å; S258-D262 PolarHBondContact OG-OD2 3.24Å |
| 263 | F | 81.4 | Confident | 94.7 | Very high | 125 Ų | 125 | 37.4 Ų | 37.4 | 55% | 0.548 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106 | 13.2 | -177.4 | -57.2 | -56.8 | 0 | 0 | 0 | 114.6 | S258 H266 | S258-F263 VanDerWaalsContact O-CD2 3.25Å; S258-F263 WeakPolarHBondContact O-CD2 3.24Å; S258-F263 PolarHBondContact O-N 2.83Å; S258-F263 VanDerWaalsContact O-N 3.13Å; F263-H266 HydrophobicContact CB-CB 4.12Å |
| 264 | G | 77 | Confident | 94.7 | Very high | 66 Ų | 66 | 37.4 Ų | 37.4 | 68% | 0.68 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 64.3 | 47.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 265 | F | 88.4 | Confident | 94.7 | Very high | 20 Ų | 20 | 33.7 Ų | 33.7 | 9% | 0.088 | 17% | 0.174 | C | C | . | . | trans | 60.8 | 74.6 | -176.9 | -151.3 | -85.8 | 0 | 0 | 0 | 115 | A259 I260 N267 V270 F304 A305 Y309 | A259-F265 CarbonylContact O-C 3.44Å; A259-F265 WeakPolarHBondContact O-CA 3.38Å; A259-F265 PolarHBondContact O-N 3.16Å; I260-F265 HydrophobicContact CB-CD2 4.24Å; I260-F265 HydrophobicContact CG1-CD2 4.03Å; I260-F265 HydrophobicContact CG1-CE2 3.87Å; I260-F265 HydrophobicContact CG2-CD2 3.95Å; I260-F265 HydrophobicContact CG2-CE2 4.24Å; I260-F265 PolarHBondContact O-N 3.02Å; F265-N267 VanDerWaalsContact CD1-OD1 3.32Å; F265-N267 WeakPolarHBondContact CD1-OD1 3.37Å; F265-N267 VanDerWaalsContact CE1-OD1 3.24Å; F265-N267 WeakPolarHBondContact CE1-OD1 3.39Å; F265-N267 PolarHBondContact O-N 3.32Å; F265-N267 PolarHBondContact O-ND2 3.14Å; F265-V270 HydrophobicContact CE1-CG2 4.45Å; F265-V270 HydrophobicContact CZ-CG1 4.21Å; F265-V270 HydrophobicContact CZ-CG2 4.38Å; F265-F304 HydrophobicContact CD2-CB 3.18Å; F265-F304 AromaticContact CD2-CG 3.94Å; F265-F304 HydrophobicContact CD2-CG 3.94Å; F265-F304 HydrophobicContact CE2-CB 3.46Å; F265-F304 VanDerWaalsContact CE2-CB 3.46Å; F265-F304 HydrophobicContact CE2-CG 4.47Å; F265-F304 HydrophobicContact CG-CB 4.05Å; F265-A305 HydrophobicContact CZ-CB 4.09Å; F265-Y309 AromaticContact CE1-CE1 3.89Å; F265-Y309 HydrophobicContact CE1-CE1 3.89Å | ||
| 266 | H | 94.8 | Very high | 94.7 | Very high | 65 Ų | 65 | 33.7 Ų | 33.7 | 30% | 0.301 | 18% | 0.178 | S | C | . | . | trans | -72.9 | 85.5 | 175 | -164.8 | -97 | 0 | 0 | 0 | 112.1 | A259 F263 K268 T269 V270 | A259-H266 HydrophobicContact CB-CB 4.24Å; A259-H266 PolarHBondContact O-N 3.04Å; F263-H266 HydrophobicContact CB-CB 4.12Å; H266-K268 VanDerWaalsContact C-N 3.33Å; H266-K268 PolarHBondContact O-N 3.45Å; H266-T269 PolarHBondContact CE1-OG1 2.96Å; H266-T269 PolarHBondContact ND1-N 3.35Å; H266-T269 PolarHBondContact ND1-OG1 3.37Å; H266-T269 PolarHBondContact O-N 3.45Å; H266-T269 VanDerWaalsContact O-N 3.13Å; H266-V270 PolarHBondContact O-N 3.07Å | ||
| 267 | N | 95.6 | Very high | 94.7 | Very high | 36 Ų | 36 | 34.1 Ų | 34.1 | 19% | 0.193 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -47.8 | -46.6 | -175 | -71.3 | -74.2 | 0 | 0 | 0 | 114.2 | H78 F265 T269 V270 I271 Y309 | H78-N267 PolarHBondContact NE2-ND2 2.95Å; F265-N267 VanDerWaalsContact CD1-OD1 3.32Å; F265-N267 WeakPolarHBondContact CD1-OD1 3.37Å; F265-N267 VanDerWaalsContact CE1-OD1 3.24Å; F265-N267 WeakPolarHBondContact CE1-OD1 3.39Å; F265-N267 PolarHBondContact O-N 3.32Å; F265-N267 PolarHBondContact O-ND2 3.14Å; N267-T269 VanDerWaalsContact C-N 3.33Å; N267-T269 PolarHBondContact O-N 2.81Å; N267-V270 PolarHBondContact O-N 2.7Å; N267-I271 HydrophobicContact CB-CD1 4.37Å; N267-I271 WeakPolarHBondContact O-CB 3.46Å; N267-I271 WeakPolarHBondContact O-CD1 3.46Å; N267-I271 WeakPolarHBondContact O-CG1 3.36Å; N267-I271 PolarHBondContact O-N 3.3Å; N267-Y309 WeakPolarHBondContact OD1-CE1 3.37Å; N267-Y309 VanDerWaalsContact OD1-CZ 3.23Å; N267-Y309 PolarHBondContact OD1-OH 3.27Å |
| 268 | K | 96.1 | Very high | 94.8 | Very high | 116 Ų | 116 | 31.2 Ų | 31.2 | 50% | 0.504 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -57.6 | -45.1 | -177.9 | -67.9 | -175.6 | 177.7 | -178.4 | 0 | 112.4 | H266 R272 | H266-K268 VanDerWaalsContact C-N 3.33Å; H266-K268 PolarHBondContact O-N 3.45Å; K268-R272 VanDerWaalsContact O-CB 3.23Å; K268-R272 WeakPolarHBondContact O-CB 3.42Å; K268-R272 PolarHBondContact O-N 2.95Å |
| 269 | T | 97.8 | Very high | 94.8 | Very high | 8 Ų | 8 | 34.4 Ų | 34.4 | 5% | 0.049 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -67.3 | -44 | 179.2 | -60.6 | 0 | 0 | 0 | 0 | 111.4 | A259 H266 N267 R272 I273 | A259-T269 HydrophobicContact CB-CG2 3.73Å; H266-T269 PolarHBondContact CE1-OG1 2.96Å; H266-T269 PolarHBondContact ND1-N 3.35Å; H266-T269 PolarHBondContact ND1-OG1 3.37Å; H266-T269 PolarHBondContact O-N 3.45Å; H266-T269 VanDerWaalsContact O-N 3.13Å; N267-T269 VanDerWaalsContact C-N 3.33Å; N267-T269 PolarHBondContact O-N 2.81Å; T269-R272 PolarHBondContact O-N 3.41Å; T269-R272 PolarHBondContact OG1-NH2 3.31Å; T269-I273 HydrophobicContact CG2-CD1 3.64Å; T269-I273 HydrophobicContact CG2-CG1 4.36Å; T269-I273 WeakPolarHBondContact O-CB 3.48Å; T269-I273 VanDerWaalsContact O-CG1 3.31Å; T269-I273 WeakPolarHBondContact O-CG1 3.38Å; T269-I273 PolarHBondContact O-N 2.81Å |
| 270 | V | 98.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.2 | -49.4 | 178.3 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | A259 I260 F265 H266 N267 I274 L313 | A259-V270 HydrophobicContact CB-CG2 3.87Å; I260-V270 HydrophobicContact CG1-CG2 3.93Å; F265-V270 HydrophobicContact CE1-CG2 4.45Å; F265-V270 HydrophobicContact CZ-CG1 4.21Å; F265-V270 HydrophobicContact CZ-CG2 4.38Å; H266-V270 PolarHBondContact O-N 3.07Å; N267-V270 PolarHBondContact O-N 2.7Å; V270-I274 HydrophobicContact CG1-CD1 3.65Å; V270-I274 WeakPolarHBondContact O-CB 3.45Å; V270-I274 VanDerWaalsContact O-CG1 3.26Å; V270-I274 WeakPolarHBondContact O-CG1 3.25Å; V270-I274 PolarHBondContact O-N 2.67Å; V270-L313 HydrophobicContact CG1-CD1 3.91Å |
| 271 | I | 98.6 | Very high | 94.9 | Very high | 5 Ų | 5 | 37.5 Ų | 37.5 | 3% | 0.026 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61 | -51.8 | 179.6 | -67.1 | 168.3 | 0 | 0 | 0 | 110.5 | H78 D81 V82 N267 I273 I274 I275 Y309 L313 | H78-I271 HydrophobicContact CB-CD1 4.05Å; D81-I271 HydrophobicContact CB-CD1 3.93Å; V82-I271 HydrophobicContact CG2-CB 4.49Å; V82-I271 HydrophobicContact CG2-CD1 4.09Å; V82-I271 HydrophobicContact CG2-CG1 3.8Å; V82-I271 HydrophobicContact CG2-CG2 4.01Å; N267-I271 HydrophobicContact CB-CD1 4.37Å; N267-I271 WeakPolarHBondContact O-CB 3.46Å; N267-I271 WeakPolarHBondContact O-CD1 3.46Å; N267-I271 WeakPolarHBondContact O-CG1 3.36Å; N267-I271 PolarHBondContact O-N 3.3Å; I271-I273 PolarHBondContact O-N 3.33Å; I271-I274 PolarHBondContact O-N 3.08Å; I271-I275 HydrophobicContact CG2-CD1 3.62Å; I271-I275 HydrophobicContact CG2-CG1 4.43Å; I271-I275 WeakPolarHBondContact O-CB 3.41Å; I271-I275 WeakPolarHBondContact O-CG1 3.38Å; I271-I275 PolarHBondContact O-N 3.47Å; I271-Y309 HydrophobicContact CD1-CE2 3.74Å; I271-Y309 HydrophobicContact CG1-CE2 3.74Å; I271-L313 HydrophobicContact CG1-CD2 4.44Å |
| 272 | R | 98.8 | Very high | 95.1 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 0% | 0.004 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -57.8 | -49 | -178 | 179.1 | 178.5 | 56.2 | -109.3 | 0.7 | 112.1 | Y93 E97 C111 E114 K268 T269 I275 A276 | Y93-R272 HydrophobicContact CE1-CG 4.21Å; Y93-R272 WeakPolarHBondContact OH-CA 3.48Å; E97-R272 HydrophobicContact CG-CG 3.92Å; E97-R272 WeakPolarHBondContact OE2-CD 3.26Å; E97-R272 IonicContact OE2-NH1 3.5Å; E97-R272 PolarHBondContact OE2-NH1 2.85Å; E97-R272 VanDerWaalsContact OE2-NH1 3.1Å; C111-R272 PolarHBondContact SG-NH1 2.61Å; C111-R272 VanDerWaalsContact SG-NH1 3.42Å; E114-R272 IonicContact OE1-CZ 3.59Å; E114-R272 IonicContact OE1-NE 3.68Å; E114-R272 PolarHBondContact OE1-NE 3.36Å; E114-R272 IonicContact OE1-NH2 3.5Å; E114-R272 IonicContact OE2-CZ 3.49Å; E114-R272 IonicContact OE2-NE 3.98Å; E114-R272 IonicContact OE2-NH2 2.73Å; E114-R272 PolarHBondContact OE2-NH2 3.4Å; K268-R272 VanDerWaalsContact O-CB 3.23Å; K268-R272 WeakPolarHBondContact O-CB 3.42Å; K268-R272 PolarHBondContact O-N 2.95Å; T269-R272 PolarHBondContact O-N 3.41Å; T269-R272 PolarHBondContact OG1-NH2 3.31Å; R272-I275 PolarHBondContact O-N 2.91Å; R272-A276 WeakPolarHBondContact O-CB 3.46Å; R272-A276 PolarHBondContact O-N 3.39Å |
| 273 | I | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.4 | -47 | -179.3 | -64.7 | 171.1 | 0 | 0 | 0 | 110.5 | E114 F252 R255 L256 T269 I271 I275 A276 R277 | E114-I273 VanDerWaalsContact OE1-CG1 3.28Å; E114-I273 WeakPolarHBondContact OE1-CG1 3.26Å; F252-I273 HydrophobicContact CB-CG2 4.2Å; F252-I273 HydrophobicContact CD1-CD1 4.15Å; F252-I273 HydrophobicContact CD1-CG1 4.01Å; F252-I273 HydrophobicContact CD1-CG2 3.85Å; F252-I273 HydrophobicContact CE1-CG1 4.38Å; F252-I273 HydrophobicContact CG-CG2 4.3Å; R255-I273 HydrophobicContact CB-CD1 3.6Å; L256-I273 HydrophobicContact CD1-CG2 3.85Å; L256-I273 HydrophobicContact CD2-CB 3.92Å; L256-I273 HydrophobicContact CD2-CD1 4.17Å; L256-I273 HydrophobicContact CD2-CG2 3.93Å; L256-I273 HydrophobicContact CG-CB 4.26Å; L256-I273 HydrophobicContact CG-CD1 4.06Å; L256-I273 HydrophobicContact CG-CG2 3.79Å; T269-I273 HydrophobicContact CG2-CD1 3.64Å; T269-I273 HydrophobicContact CG2-CG1 4.36Å; T269-I273 WeakPolarHBondContact O-CB 3.48Å; T269-I273 VanDerWaalsContact O-CG1 3.31Å; T269-I273 WeakPolarHBondContact O-CG1 3.38Å; T269-I273 PolarHBondContact O-N 2.81Å; I271-I273 PolarHBondContact O-N 3.33Å; I273-I275 VanDerWaalsContact C-N 3.31Å; I273-I275 PolarHBondContact O-N 2.96Å; I273-A276 PolarHBondContact O-N 3.05Å; I273-R277 HydrophobicContact CG2-CG 3.99Å; I273-R277 VanDerWaalsContact O-CB 3.25Å; I273-R277 WeakPolarHBondContact O-CB 3.48Å; I273-R277 VanDerWaalsContact O-CG 3.25Å; I273-R277 WeakPolarHBondContact O-CG 3.37Å; I273-R277 PolarHBondContact O-N 2.92Å |
| 274 | I | 98.5 | Very high | 96 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | -178.6 | -72.6 | 173.9 | 0 | 0 | 0 | 110.7 | L256 V270 I271 S278 L282 I301 L313 I316 | L256-I274 HydrophobicContact CD2-CG1 4.32Å; V270-I274 HydrophobicContact CG1-CD1 3.65Å; V270-I274 WeakPolarHBondContact O-CB 3.45Å; V270-I274 VanDerWaalsContact O-CG1 3.26Å; V270-I274 WeakPolarHBondContact O-CG1 3.25Å; V270-I274 PolarHBondContact O-N 2.67Å; I271-I274 PolarHBondContact O-N 3.08Å; I274-S278 VanDerWaalsContact O-CB 3.25Å; I274-S278 WeakPolarHBondContact O-CB 3.41Å; I274-S278 PolarHBondContact O-N 2.96Å; I274-L282 HydrophobicContact CG2-CD2 4.15Å; I274-I301 HydrophobicContact CD1-CD1 3.67Å; I274-L313 HydrophobicContact CD1-CB 4.33Å; I274-L313 HydrophobicContact CD1-CD1 4.38Å; I274-L313 HydrophobicContact CD1-CD2 3.93Å; I274-L313 HydrophobicContact CD1-CG 4.44Å; I274-L313 HydrophobicContact CG2-CD2 4.28Å; I274-I316 HydrophobicContact CG2-CB 3.74Å; I274-I316 HydrophobicContact CG2-CD1 3.89Å; I274-I316 HydrophobicContact CG2-CG1 4.45Å; I274-I316 HydrophobicContact CG2-CG2 3.47Å; I274-I316 VanDerWaalsContact CG2-CG2 3.47Å |
| 275 | I | 98.6 | Very high | 97 | Very high | 13 Ų | 13 | 22 Ų | 22 | 7% | 0.067 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -68.9 | -56.6 | 177.4 | -67.7 | 174.8 | 0 | 0 | 0 | 110.9 | L86 Y93 I271 R272 I273 R277 S278 | L86-I275 HydrophobicContact CD2-CG1 4.07Å; L86-I275 HydrophobicContact CD2-CG2 4.38Å; L86-I275 HydrophobicContact CG-CD1 4.41Å; L86-I275 HydrophobicContact CG-CG1 4.33Å; Y93-I275 HydrophobicContact CD1-CG2 3.88Å; Y93-I275 HydrophobicContact CE1-CB 3.87Å; Y93-I275 HydrophobicContact CE1-CG2 3.62Å; I271-I275 HydrophobicContact CG2-CD1 3.62Å; I271-I275 HydrophobicContact CG2-CG1 4.43Å; I271-I275 WeakPolarHBondContact O-CB 3.41Å; I271-I275 WeakPolarHBondContact O-CG1 3.38Å; I271-I275 PolarHBondContact O-N 3.47Å; R272-I275 PolarHBondContact O-N 2.91Å; I273-I275 VanDerWaalsContact C-N 3.31Å; I273-I275 PolarHBondContact O-N 2.96Å; I275-R277 PolarHBondContact O-N 3.43Å; I275-R277 VanDerWaalsContact O-N 3.16Å; I275-S278 WeakPolarHBondContact O-CB 3.4Å; I275-S278 PolarHBondContact O-N 3.4Å; I275-S278 PolarHBondContact O-OG 3.29Å |
| 276 | A | 98.4 | Very high | 97.4 | Very high | 20 Ų | 20 | 21.4 Ų | 21.4 | 17% | 0.165 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.2 | -25 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y93 R272 I273 I280 | Y93-A276 HydrophobicContact CD1-CB 4.47Å; R272-A276 WeakPolarHBondContact O-CB 3.46Å; R272-A276 PolarHBondContact O-N 3.39Å; I273-A276 PolarHBondContact O-N 3.05Å; A276-I280 WeakPolarHBondContact O-CD1 3.32Å |
| 277 | R | 98.3 | Very high | 97.4 | Very high | 9 Ų | 9 | 22.1 Ų | 22.1 | 3% | 0.034 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -102.6 | -8 | -178.7 | -53.2 | -47.4 | -66.5 | 173.2 | -6.1 | 113.9 | F252 I273 I275 E279 I280 D281 L282 I285 | F252-R277 HydrophobicContact CD1-CG 4.39Å; F252-R277 HydrophobicContact CD2-CG 4.24Å; F252-R277 HydrophobicContact CE1-CG 4.45Å; F252-R277 HydrophobicContact CE2-CG 4.31Å; F252-R277 HydrophobicContact CG-CG 4.29Å; F252-R277 HydrophobicContact CZ-CG 4.42Å; I273-R277 HydrophobicContact CG2-CG 3.99Å; I273-R277 VanDerWaalsContact O-CB 3.25Å; I273-R277 WeakPolarHBondContact O-CB 3.48Å; I273-R277 VanDerWaalsContact O-CG 3.25Å; I273-R277 WeakPolarHBondContact O-CG 3.37Å; I273-R277 PolarHBondContact O-N 2.92Å; I275-R277 PolarHBondContact O-N 3.43Å; I275-R277 VanDerWaalsContact O-N 3.16Å; R277-E279 VanDerWaalsContact C-N 3.26Å; R277-E279 PolarHBondContact O-N 3.09Å; R277-E279 VanDerWaalsContact O-N 3.16Å; R277-I280 PolarHBondContact O-N 2.98Å; R277-D281 WeakPolarHBondContact CB-OD1 3.33Å; R277-D281 IonicContact CZ-OD1 3.15Å; R277-D281 VanDerWaalsContact CZ-OD1 3.29Å; R277-D281 IonicContact CZ-OD2 2.67Å; R277-D281 IonicContact NE-OD1 2.72Å; R277-D281 PolarHBondContact NE-OD1 2.92Å; R277-D281 IonicContact NE-OD2 3.8Å; R277-D281 IonicContact NH2-OD1 2.87Å; R277-D281 PolarHBondContact NH2-OD1 3.42Å; R277-D281 VanDerWaalsContact NH2-OD1 3.16Å; R277-D281 IonicContact NH2-OD2 3.36Å; R277-D281 PolarHBondContact NH2-OD2 3.2Å; R277-D281 PolarHBondContact O-N 3.42Å; R277-D281 VanDerWaalsContact O-N 3.1Å; R277-L282 HydrophobicContact CB-CB 4.33Å; R277-L282 WeakPolarHBondContact O-CB 3.25Å; R277-L282 PolarHBondContact O-N 2.91Å; R277-I285 HydrophobicContact CB-CD1 3.68Å; R277-I285 HydrophobicContact CG-CD1 3.75Å |
| 278 | S | 98.2 | Very high | 97.4 | Very high | 4 Ų | 4 | 23.5 Ų | 23.5 | 3% | 0.028 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -33.9 | -173.8 | 57.4 | 0 | 0 | 0 | 0 | 114.7 | G9 T10 I11 I274 I275 | G9-S278 CarbonylContact C-O 3.31Å; G9-S278 WeakPolarHBondContact CA-O 3.31Å; T10-S278 PolarHBondContact N-O 3.35Å; T10-S278 PolarHBondContact OG1-O 3.19Å; I11-S278 PolarHBondContact N-O 3.43Å; I274-S278 VanDerWaalsContact O-CB 3.25Å; I274-S278 WeakPolarHBondContact O-CB 3.41Å; I274-S278 PolarHBondContact O-N 2.96Å; I275-S278 WeakPolarHBondContact O-CB 3.4Å; I275-S278 PolarHBondContact O-N 3.4Å; I275-S278 PolarHBondContact O-OG 3.29Å |
| 279 | E | 97.4 | Very high | 97.4 | Very high | 73 Ų | 73 | 18 Ų | 18 | 34% | 0.341 | 9% | 0.087 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.8 | 7.3 | -179 | -65.9 | -179.2 | -147.9 | 0 | 0 | 112.9 | I11 C48 N49 R52 R277 | I11-E279 HydrophobicContact CB-CG 3.88Å; I11-E279 HydrophobicContact CG2-CG 4.1Å; C48-E279 VanDerWaalsContact CA-OE1 3.25Å; C48-E279 WeakPolarHBondContact CA-OE1 3.35Å; C48-E279 WeakPolarHBondContact CB-OE2 3.31Å; N49-E279 PolarHBondContact N-OE1 2.94Å; N49-E279 PolarHBondContact N-OE2 3.39Å; R52-E279 IonicContact CZ-OE1 2.95Å; R52-E279 IonicContact NH2-OE1 2.81Å; R52-E279 PolarHBondContact NH2-OE1 3.48Å; R277-E279 VanDerWaalsContact C-N 3.26Å; R277-E279 PolarHBondContact O-N 3.09Å; R277-E279 VanDerWaalsContact O-N 3.16Å |
| 280 | I | 96.9 | Very high | 97.3 | Very high | 66 Ų | 66 | 21.3 Ų | 21.3 | 34% | 0.338 | 10% | 0.101 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -116.1 | -68.1 | -173.9 | -53.3 | 176.3 | 0 | 0 | 0 | 110.3 | Q8 G9 A276 R277 | Q8-I280 CarbonylContact C-O 3.59Å; Q8-I280 VanDerWaalsContact C-O 3.31Å; G9-I280 PolarHBondContact N-O 3.4Å; A276-I280 WeakPolarHBondContact O-CD1 3.32Å; R277-I280 PolarHBondContact O-N 2.98Å |
| 281 | D | 97 | Very high | 97.2 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.011 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -149.3 | 13.2 | -167.7 | 65.7 | -9.8 | 0 | 0 | 0 | 114.4 | V7 Q8 P249 R277 L283 T284 I285 | V7-D281 HydrophobicContact CG1-CB 3.28Å; Q8-D281 CarbonylContact O-C 3.38Å; Q8-D281 WeakPolarHBondContact O-CA 3.23Å; P249-D281 HydrophobicContact CG-CB 4.43Å; R277-D281 WeakPolarHBondContact CB-OD1 3.33Å; R277-D281 IonicContact CZ-OD1 3.15Å; R277-D281 VanDerWaalsContact CZ-OD1 3.29Å; R277-D281 IonicContact CZ-OD2 2.67Å; R277-D281 IonicContact NE-OD1 2.72Å; R277-D281 PolarHBondContact NE-OD1 2.92Å; R277-D281 IonicContact NE-OD2 3.8Å; R277-D281 IonicContact NH2-OD1 2.87Å; R277-D281 PolarHBondContact NH2-OD1 3.42Å; R277-D281 VanDerWaalsContact NH2-OD1 3.16Å; R277-D281 IonicContact NH2-OD2 3.36Å; R277-D281 PolarHBondContact NH2-OD2 3.2Å; R277-D281 PolarHBondContact O-N 3.42Å; R277-D281 VanDerWaalsContact O-N 3.1Å; D281-L283 PolarHBondContact O-N 3.44Å; D281-L283 VanDerWaalsContact O-N 3.15Å; D281-T284 CarbonylContact O-C 3.16Å; D281-T284 WeakPolarHBondContact O-CA 3.31Å; D281-T284 WeakPolarHBondContact O-CB 3.38Å; D281-T284 PolarHBondContact O-N 3.47Å; D281-I285 WeakPolarHBondContact O-CG1 3.44Å; D281-I285 PolarHBondContact O-N 3.34Å; D281-I285 WeakPolarHBondContact OD1-CD1 3.45Å |
| 282 | L | 97.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -58.5 | -30.3 | -177.3 | -172.9 | 59.9 | 0 | 0 | 0 | 113.3 | Q8 T10 I274 R277 I285 R286 L297 I316 | Q8-L282 PolarHBondContact O-N 2.98Å; T10-L282 HydrophobicContact CG2-CB 4Å; T10-L282 HydrophobicContact CG2-CD2 4.3Å; T10-L282 HydrophobicContact CG2-CG 4.07Å; I274-L282 HydrophobicContact CG2-CD2 4.15Å; R277-L282 HydrophobicContact CB-CB 4.33Å; R277-L282 WeakPolarHBondContact O-CB 3.25Å; R277-L282 PolarHBondContact O-N 2.91Å; L282-I285 HydrophobicContact CD1-CB 4.43Å; L282-I285 HydrophobicContact CD1-CD1 4.5Å; L282-I285 HydrophobicContact CD1-CG2 4.46Å; L282-R286 VanDerWaalsContact O-CG 3.23Å; L282-R286 WeakPolarHBondContact O-CG 3.37Å; L282-R286 PolarHBondContact O-N 3Å; L282-L297 HydrophobicContact CD1-CD2 4.49Å; L282-I316 HydrophobicContact CD2-CG2 3.97Å |
| 283 | L | 95.6 | Very high | 97 | Very high | 15 Ų | 15 | 36.1 Ų | 36.1 | 8% | 0.079 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68.5 | -43 | 174.3 | -175.7 | 65.2 | 0 | 0 | 0 | 110.9 | Q8 T10 D281 R286 K287 | Q8-L283 HydrophobicContact CB-CB 4.32Å; Q8-L283 HydrophobicContact CB-CD2 4.14Å; Q8-L283 VanDerWaalsContact CD-CD2 3.43Å; Q8-L283 HydrophobicContact CG-CD2 3.88Å; Q8-L283 WeakPolarHBondContact O-CB 3.34Å; Q8-L283 PolarHBondContact O-N 3.41Å; T10-L283 HydrophobicContact CG2-CB 4.05Å; D281-L283 PolarHBondContact O-N 3.44Å; D281-L283 VanDerWaalsContact O-N 3.15Å; L283-R286 WeakPolarHBondContact O-CB 3.33Å; L283-R286 PolarHBondContact O-N 3.43Å; L283-K287 PolarHBondContact O-N 2.97Å; L283-K287 VanDerWaalsContact O-N 3.13Å |
| 284 | T | 95.8 | Very high | 96.8 | Very high | 10 Ų | 10 | 39.2 Ų | 39.2 | 6% | 0.061 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.6 | -40.4 | 175.7 | -48.6 | 0 | 0 | 0 | 0 | 111.3 | Q8 P249 D281 R286 K287 R288 | Q8-T284 PolarHBondContact N-OG1 3.02Å; Q8-T284 VanDerWaalsContact N-OG1 3.13Å; P249-T284 HydrophobicContact CB-CG2 3.81Å; P249-T284 HydrophobicContact CG-CG2 3.86Å; D281-T284 CarbonylContact O-C 3.16Å; D281-T284 WeakPolarHBondContact O-CA 3.31Å; D281-T284 WeakPolarHBondContact O-CB 3.38Å; D281-T284 PolarHBondContact O-N 3.47Å; T284-R286 VanDerWaalsContact C-N 3.34Å; T284-R286 PolarHBondContact O-N 3.32Å; T284-K287 WeakPolarHBondContact O-CB 3.3Å; T284-K287 PolarHBondContact O-N 3.21Å; T284-R288 PolarHBondContact O-N 3.15Å |
| 285 | I | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.5 | -46.1 | 173.7 | -68.8 | 166.6 | 0 | 0 | 0 | 110.6 | P249 F252 A253 L256 R277 D281 L282 K287 R288 Y289 | P249-I285 HydrophobicContact CB-CG1 3.99Å; F252-I285 HydrophobicContact CB-CD1 3.53Å; F252-I285 HydrophobicContact CB-CG1 3.9Å; F252-I285 HydrophobicContact CB-CG2 4.22Å; F252-I285 HydrophobicContact CD2-CD1 4.06Å; F252-I285 HydrophobicContact CG-CD1 4.03Å; A253-I285 HydrophobicContact CB-CG2 4.17Å; L256-I285 HydrophobicContact CD1-CG2 3.71Å; R277-I285 HydrophobicContact CB-CD1 3.68Å; R277-I285 HydrophobicContact CG-CD1 3.75Å; D281-I285 WeakPolarHBondContact O-CG1 3.44Å; D281-I285 PolarHBondContact O-N 3.34Å; D281-I285 WeakPolarHBondContact OD1-CD1 3.45Å; L282-I285 HydrophobicContact CD1-CB 4.43Å; L282-I285 HydrophobicContact CD1-CD1 4.5Å; L282-I285 HydrophobicContact CD1-CG2 4.46Å; I285-K287 VanDerWaalsContact C-N 3.31Å; I285-K287 PolarHBondContact O-N 3Å; I285-R288 PolarHBondContact O-N 2.87Å; I285-Y289 WeakPolarHBondContact O-CB 3.3Å; I285-Y289 PolarHBondContact O-N 3.24Å |
| 286 | R | 95.7 | Very high | 96.5 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 3% | 0.026 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.2 | -40.4 | 177.4 | -74.8 | 170.6 | 62.7 | -139.3 | -12.6 | 112.3 | L282 L283 T284 Y289 K290 L297 C317 G319 | L282-R286 VanDerWaalsContact O-CG 3.23Å; L282-R286 WeakPolarHBondContact O-CG 3.37Å; L282-R286 PolarHBondContact O-N 3Å; L283-R286 WeakPolarHBondContact O-CB 3.33Å; L283-R286 PolarHBondContact O-N 3.43Å; T284-R286 VanDerWaalsContact C-N 3.34Å; T284-R286 PolarHBondContact O-N 3.32Å; R286-Y289 PolarHBondContact O-N 3.48Å; R286-K290 PolarHBondContact O-N 3.5Å; R286-L297 HydrophobicContact CG-CB 4.33Å; R286-L297 HydrophobicContact CG-CD2 3.92Å; R286-C317 WeakPolarHBondContact CD-O 3.2Å; R286-C317 PolarHBondContact NE-O 3.18Å; R286-C317 PolarHBondContact NH1-O 2.92Å; R286-G319 PolarHBondContact NH2-O 2.97Å |
| 287 | K | 94.9 | Very high | 96.4 | Very high | 79 Ų | 79 | 43.3 Ų | 43.3 | 34% | 0.343 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -62.5 | -52.1 | 175.1 | -68.6 | 178.5 | 179.5 | -176.8 | 0 | 111.1 | L283 T284 I285 Y289 K290 E291 | L283-K287 PolarHBondContact O-N 2.97Å; L283-K287 VanDerWaalsContact O-N 3.13Å; T284-K287 WeakPolarHBondContact O-CB 3.3Å; T284-K287 PolarHBondContact O-N 3.21Å; I285-K287 VanDerWaalsContact C-N 3.31Å; I285-K287 PolarHBondContact O-N 3Å; K287-Y289 VanDerWaalsContact C-N 3.27Å; K287-Y289 PolarHBondContact O-N 3.42Å; K287-K290 PolarHBondContact O-N 3.2Å; K287-K290 VanDerWaalsContact O-N 3.15Å; K287-E291 WeakPolarHBondContact O-CB 3.47Å; K287-E291 VanDerWaalsContact O-CG 3.31Å; K287-E291 WeakPolarHBondContact O-CG 3.33Å; K287-E291 PolarHBondContact O-N 2.97Å |
| 288 | R | 96.3 | Very high | 96.2 | Very high | 65 Ų | 65 | 44.3 Ų | 44.3 | 25% | 0.245 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.9 | -37.5 | 177.4 | -69 | -66.8 | -178.4 | -108.1 | -7.1 | 112.6 | D247 P249 A250 A253 T284 I285 E291 R292 | D247-R288 IonicContact OD2-CZ 3.2Å; D247-R288 IonicContact OD2-NE 2.69Å; D247-R288 PolarHBondContact OD2-NE 2.72Å; D247-R288 IonicContact OD2-NH2 2.88Å; P249-R288 HydrophobicContact CB-CG 4.2Å; A250-R288 HydrophobicContact CB-CB 4.38Å; A250-R288 HydrophobicContact CB-CG 4.29Å; A253-R288 HydrophobicContact CB-CB 4.05Å; T284-R288 PolarHBondContact O-N 3.15Å; I285-R288 PolarHBondContact O-N 2.87Å; R288-E291 WeakPolarHBondContact CD-OE2 3.28Å; R288-E291 IonicContact CZ-OE2 2.72Å; R288-E291 IonicContact NH1-OE1 3.55Å; R288-E291 PolarHBondContact NH1-OE1 3.34Å; R288-E291 IonicContact NH1-OE2 3.51Å; R288-E291 PolarHBondContact NH1-OE2 2.87Å; R288-R292 VanDerWaalsContact O-CB 3.28Å; R288-R292 WeakPolarHBondContact O-CB 3.2Å; R288-R292 PolarHBondContact O-N 2.94Å |
| 289 | Y | 97.1 | Very high | 96 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.5 | -51.9 | 174.8 | -169 | -74 | 0 | 0 | 0 | 111.3 | A253 L256 Y257 I285 R286 K287 E291 R292 Y293 K295 L297 D300 | A253-Y289 HydrophobicContact CB-CD2 4.33Å; A253-Y289 WeakPolarHBondContact O-CD2 3.23Å; L256-Y289 HydrophobicContact CB-CD2 4.24Å; L256-Y289 HydrophobicContact CB-CE2 4.04Å; Y257-Y289 HydrophobicContact CD2-CE1 4.44Å; Y257-Y289 HydrophobicContact CD2-CE2 4.25Å; Y257-Y289 AromaticContact CD2-CZ 3.81Å; Y257-Y289 WeakPolarHBondContact CD2-OH 3.32Å; Y257-Y289 HydrophobicContact CG-CE2 4.5Å; I285-Y289 WeakPolarHBondContact O-CB 3.3Å; I285-Y289 PolarHBondContact O-N 3.24Å; R286-Y289 PolarHBondContact O-N 3.48Å; K287-Y289 VanDerWaalsContact C-N 3.27Å; K287-Y289 PolarHBondContact O-N 3.42Å; Y289-E291 PolarHBondContact O-N 3.5Å; Y289-R292 PolarHBondContact O-N 2.93Å; Y289-Y293 HydrophobicContact CD1-CD2 4.05Å; Y289-Y293 HydrophobicContact CD2-CD2 4.12Å; Y289-Y293 HydrophobicContact CD2-CE2 4.32Å; Y289-Y293 HydrophobicContact CE1-CD2 4.18Å; Y289-Y293 HydrophobicContact CE2-CD2 4.26Å; Y289-Y293 HydrophobicContact CG-CD2 4.01Å; Y289-Y293 VanDerWaalsContact O-CD2 3.26Å; Y289-Y293 WeakPolarHBondContact O-CD2 3.42Å; Y289-Y293 PolarHBondContact O-N 3.45Å; Y289-K295 VanDerWaalsContact CD1-O 3.32Å; Y289-K295 WeakPolarHBondContact CD1-O 3.48Å; Y289-K295 WeakPolarHBondContact CE1-O 3.4Å; Y289-L297 HydrophobicContact CD1-CB 4.1Å; Y289-L297 HydrophobicContact CD2-CB 4.37Å; Y289-L297 HydrophobicContact CD2-CD1 4.2Å; Y289-L297 HydrophobicContact CE1-CB 4.37Å; Y289-L297 HydrophobicContact CE2-CD1 3.9Å; Y289-L297 HydrophobicContact CG-CB 4.11Å; Y289-D300 VanDerWaalsContact CE1-OD2 3.23Å; Y289-D300 WeakPolarHBondContact CE1-OD2 3.46Å; Y289-D300 VanDerWaalsContact CZ-OD2 3.32Å; Y289-D300 PolarHBondContact OH-OD2 2.95Å |
| 290 | K | 95.7 | Very high | 96 | Very high | 79 Ų | 79 | 44 Ų | 44 | 34% | 0.343 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63 | -43.6 | 179.4 | -175.4 | 174.2 | 176.9 | 175 | 0 | 112 | R286 K287 R292 G294 A321 | R286-K290 PolarHBondContact O-N 3.5Å; K287-K290 PolarHBondContact O-N 3.2Å; K287-K290 VanDerWaalsContact O-N 3.15Å; K290-R292 VanDerWaalsContact C-N 3.31Å; K290-R292 PolarHBondContact O-N 3.39Å; K290-G294 WeakPolarHBondContact O-CA 3.36Å; K290-G294 PolarHBondContact O-N 3.27Å; K290-A321 HydrophobicContact CD-CB 4.14Å; K290-A321 PolarHBondContact NZ-O 2.99Å |
| 291 | E | 96.1 | Very high | 95.9 | Very high | 125 Ų | 125 | 40.8 Ų | 40.8 | 58% | 0.584 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -58.2 | -42.1 | 176.7 | -74 | 167.7 | -178 | 0 | 0 | 112 | K287 R288 Y289 | K287-E291 WeakPolarHBondContact O-CB 3.47Å; K287-E291 VanDerWaalsContact O-CG 3.31Å; K287-E291 WeakPolarHBondContact O-CG 3.33Å; K287-E291 PolarHBondContact O-N 2.97Å; R288-E291 WeakPolarHBondContact CD-OE2 3.28Å; R288-E291 IonicContact CZ-OE2 2.72Å; R288-E291 IonicContact NH1-OE1 3.55Å; R288-E291 PolarHBondContact NH1-OE1 3.34Å; R288-E291 IonicContact NH1-OE2 3.51Å; R288-E291 PolarHBondContact NH1-OE2 2.87Å; Y289-E291 PolarHBondContact O-N 3.5Å |
| 292 | R | 96.8 | Very high | 95.8 | Very high | 138 Ų | 138 | 48.2 Ų | 48.2 | 52% | 0.521 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -81.1 | -38 | -175.5 | -172.4 | 170.7 | -177.7 | 174.3 | -0.1 | 113.7 | R288 Y289 K290 | R288-R292 VanDerWaalsContact O-CB 3.28Å; R288-R292 WeakPolarHBondContact O-CB 3.2Å; R288-R292 PolarHBondContact O-N 2.94Å; Y289-R292 PolarHBondContact O-N 2.93Å; K290-R292 VanDerWaalsContact C-N 3.31Å; K290-R292 PolarHBondContact O-N 3.39Å |
| 293 | Y | 96 | Very high | 95.7 | Very high | 53 Ų | 53 | 52.7 Ų | 52.7 | 21% | 0.208 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -112.6 | -5.4 | -168.6 | -57.2 | -65.3 | 0 | 0 | 0 | 114.3 | Y254 Y257 Y289 K295 | Y254-Y293 WeakPolarHBondContact CA-OH 3.47Å; Y257-Y293 VanDerWaalsContact CB-CE2 3.41Å; Y257-Y293 VanDerWaalsContact CB-CZ 3.49Å; Y257-Y293 HydrophobicContact CD1-CD1 4.16Å; Y257-Y293 AromaticContact CD1-CE1 3.67Å; Y257-Y293 HydrophobicContact CD1-CE1 3.67Å; Y257-Y293 AromaticContact CD1-CZ 3.89Å; Y257-Y293 AromaticContact CD2-CD1 3.44Å; Y257-Y293 HydrophobicContact CD2-CD1 3.44Å; Y257-Y293 VanDerWaalsContact CD2-CD1 3.44Å; Y257-Y293 AromaticContact CD2-CD2 3.54Å; Y257-Y293 HydrophobicContact CD2-CD2 3.54Å; Y257-Y293 AromaticContact CD2-CE1 3.72Å; Y257-Y293 HydrophobicContact CD2-CE1 3.72Å; Y257-Y293 AromaticContact CD2-CE2 3.85Å; Y257-Y293 HydrophobicContact CD2-CE2 3.85Å; Y257-Y293 AromaticContact CD2-CG 3.34Å; Y257-Y293 HydrophobicContact CD2-CG 3.34Å; Y257-Y293 AromaticContact CD2-CZ 3.92Å; Y257-Y293 HydrophobicContact CE1-CD1 4.2Å; Y257-Y293 AromaticContact CE1-CE1 3.99Å; Y257-Y293 HydrophobicContact CE1-CE1 3.99Å; Y257-Y293 AromaticContact CE2-CD1 3.48Å; Y257-Y293 HydrophobicContact CE2-CD1 3.48Å; Y257-Y293 VanDerWaalsContact CE2-CD1 3.48Å; Y257-Y293 HydrophobicContact CE2-CD2 4.32Å; Y257-Y293 HydrophobicContact CE2-CE1 4.03Å; Y257-Y293 AromaticContact CE2-CG 3.65Å; Y257-Y293 HydrophobicContact CE2-CG 3.65Å; Y257-Y293 AromaticContact CG-CD1 3.79Å; Y257-Y293 HydrophobicContact CG-CD1 3.79Å; Y257-Y293 AromaticContact CG-CD2 3.9Å; Y257-Y293 HydrophobicContact CG-CD2 3.9Å; Y257-Y293 AromaticContact CG-CE1 3.53Å; Y257-Y293 HydrophobicContact CG-CE1 3.53Å; Y257-Y293 AromaticContact CG-CE2 3.68Å; Y257-Y293 HydrophobicContact CG-CE2 3.68Å; Y257-Y293 AromaticContact CG-CG 3.97Å; Y257-Y293 HydrophobicContact CG-CG 3.97Å; Y257-Y293 AromaticContact CG-CZ 3.47Å; Y257-Y293 VanDerWaalsContact CG-CZ 3.47Å; Y257-Y293 AromaticContact CZ-CD1 3.88Å; Y289-Y293 HydrophobicContact CD1-CD2 4.05Å; Y289-Y293 HydrophobicContact CD2-CD2 4.12Å; Y289-Y293 HydrophobicContact CD2-CE2 4.32Å; Y289-Y293 HydrophobicContact CE1-CD2 4.18Å; Y289-Y293 HydrophobicContact CE2-CD2 4.26Å; Y289-Y293 HydrophobicContact CG-CD2 4.01Å; Y289-Y293 VanDerWaalsContact O-CD2 3.26Å; Y289-Y293 WeakPolarHBondContact O-CD2 3.42Å; Y289-Y293 PolarHBondContact O-N 3.45Å; Y293-K295 PolarHBondContact O-N 3.43Å |
| 294 | G | 94.7 | Very high | 95.6 | Very high | 66 Ų | 66 | 56.9 Ų | 56.9 | 68% | 0.68 | 27% | 0.265 | S | S | * | . | S | Bend | trans | 73 | -16.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | K290 | K290-G294 WeakPolarHBondContact O-CA 3.36Å; K290-G294 PolarHBondContact O-N 3.27Å |
| 295 | K | 93.9 | Very high | 95.5 | Very high | 107 Ų | 107 | 57 Ų | 57 | 47% | 0.465 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -108 | 147.9 | 171.1 | -67.9 | -178.5 | 171.9 | -165.5 | 0 | 110.4 | Y289 Y293 | Y289-K295 VanDerWaalsContact CD1-O 3.32Å; Y289-K295 WeakPolarHBondContact CD1-O 3.48Å; Y289-K295 WeakPolarHBondContact CE1-O 3.4Å; Y293-K295 PolarHBondContact O-N 3.43Å |
| 296 | S | 95.7 | Very high | 95.5 | Very high | 10 Ų | 10 | 61.3 Ų | 61.3 | 7% | 0.07 | 30% | 0.297 | C | S | . | . | trans | -77.4 | 150.2 | 176.3 | 70.3 | 0 | 0 | 0 | 0 | 111.1 | F298 H299 D300 D320 | S296-F298 PolarHBondContact O-N 3.38Å; S296-H299 WeakPolarHBondContact O-CB 3.21Å; S296-H299 PolarHBondContact O-N 3.31Å; S296-H299 VanDerWaalsContact O-N 3.13Å; S296-H299 WeakPolarHBondContact OG-CB 3.46Å; S296-H299 PolarHBondContact OG-N 2.97Å; S296-D300 PolarHBondContact O-N 2.94Å; S296-D300 VanDerWaalsContact O-N 3.14Å; S296-D320 WeakPolarHBondContact CB-OD1 3.23Å; S296-D320 VanDerWaalsContact OG-CG 3.3Å; S296-D320 PolarHBondContact OG-OD1 2.86Å; S296-D320 PolarHBondContact OG-OD2 3.25Å | ||
| 297 | L | 96.1 | Very high | 95.5 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -55.3 | -35.6 | 170.9 | 177.7 | 64.4 | 0 | 0 | 0 | 111.6 | L256 I260 L282 R286 Y289 D300 I301 | L256-L297 HydrophobicContact CB-CD1 4.21Å; L256-L297 HydrophobicContact CD1-CD1 4.16Å; L256-L297 HydrophobicContact CD1-CD2 3.76Å; I260-L297 HydrophobicContact CD1-CD1 3.74Å; L282-L297 HydrophobicContact CD1-CD2 4.49Å; R286-L297 HydrophobicContact CG-CB 4.33Å; R286-L297 HydrophobicContact CG-CD2 3.92Å; Y289-L297 HydrophobicContact CD1-CB 4.1Å; Y289-L297 HydrophobicContact CD2-CB 4.37Å; Y289-L297 HydrophobicContact CD2-CD1 4.2Å; Y289-L297 HydrophobicContact CE1-CB 4.37Å; Y289-L297 HydrophobicContact CE2-CD1 3.9Å; Y289-L297 HydrophobicContact CG-CB 4.11Å; L297-D300 PolarHBondContact O-N 3.39Å; L297-I301 HydrophobicContact CD1-CD1 4.06Å; L297-I301 HydrophobicContact CD1-CG1 4.24Å; L297-I301 HydrophobicContact CD2-CD1 4.42Å; L297-I301 HydrophobicContact CG-CD1 3.82Å; L297-I301 HydrophobicContact CG-CG1 4.42Å; L297-I301 VanDerWaalsContact O-CG1 3.3Å; L297-I301 WeakPolarHBondContact O-CG1 3.46Å; L297-I301 PolarHBondContact O-N 2.81Å |
| 298 | F | 94.8 | Very high | 95.6 | Very high | 31 Ų | 31 | 62.1 Ų | 62.1 | 14% | 0.136 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -62.5 | -47 | 177.6 | -171.6 | -81 | 0 | 0 | 0 | 111.5 | S296 D300 I301 R302 L314 G319 D320 | S296-F298 PolarHBondContact O-N 3.38Å; F298-D300 VanDerWaalsContact C-N 3.34Å; F298-D300 PolarHBondContact O-N 2.95Å; F298-I301 PolarHBondContact O-N 2.66Å; F298-R302 WeakPolarHBondContact O-CB 3.36Å; F298-R302 PolarHBondContact O-N 2.95Å; F298-L314 HydrophobicContact CD1-CD2 4.11Å; F298-L314 HydrophobicContact CD2-CB 4.29Å; F298-L314 HydrophobicContact CD2-CD2 3.54Å; F298-L314 HydrophobicContact CD2-CG 4.41Å; F298-L314 HydrophobicContact CE1-CD1 4.27Å; F298-L314 HydrophobicContact CE1-CD2 4.16Å; F298-L314 HydrophobicContact CE2-CB 3.67Å; F298-L314 HydrophobicContact CE2-CD1 4.21Å; F298-L314 HydrophobicContact CE2-CD2 3.62Å; F298-L314 HydrophobicContact CE2-CG 4.01Å; F298-L314 HydrophobicContact CG-CD2 3.8Å; F298-L314 HydrophobicContact CZ-CB 4.13Å; F298-L314 HydrophobicContact CZ-CD1 3.86Å; F298-L314 HydrophobicContact CZ-CD2 3.92Å; F298-L314 HydrophobicContact CZ-CG 4.18Å; F298-G319 WeakPolarHBondContact CD2-O 3.41Å; F298-D320 HydrophobicContact CB-CB 4.23Å; F298-D320 HydrophobicContact CD1-CB 3.89Å; F298-D320 HydrophobicContact CE1-CB 4.46Å; F298-D320 HydrophobicContact CG-CB 4.02Å |
| 299 | H | 95 | Very high | 95.7 | Very high | 68 Ų | 68 | 60 Ų | 60 | 32% | 0.315 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -58.5 | -45.5 | 176 | 175.3 | 88.3 | 0 | 0 | 0 | 111.6 | S296 R302 N303 | S296-H299 WeakPolarHBondContact O-CB 3.21Å; S296-H299 PolarHBondContact O-N 3.31Å; S296-H299 VanDerWaalsContact O-N 3.13Å; S296-H299 WeakPolarHBondContact OG-CB 3.46Å; S296-H299 PolarHBondContact OG-N 2.97Å; H299-R302 PolarHBondContact O-N 3.03Å; H299-N303 PolarHBondContact CD2-ND2 3.21Å; H299-N303 PolarHBondContact CE1-ND2 3.21Å; H299-N303 PolarHBondContact NE2-ND2 3.15Å; H299-N303 VanDerWaalsContact O-CG 3.27Å; H299-N303 PolarHBondContact O-N 2.91Å; H299-N303 VanDerWaalsContact O-N 3.11Å; H299-N303 PolarHBondContact O-ND2 2.78Å |
| 300 | D | 95.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -68.6 | -43.7 | -178.3 | -69.3 | -21.8 | 0 | 0 | 0 | 111.9 | I260 H261 Y289 S296 L297 F298 R302 N303 F304 | I260-D300 HydrophobicContact CD1-CB 4.28Å; I260-D300 HydrophobicContact CG2-CB 4.22Å; H261-D300 IonicContact CE1-OD2 3.52Å; H261-D300 PolarHBondContact CE1-OD2 3.1Å; H261-D300 VanDerWaalsContact CE1-OD2 3.26Å; H261-D300 IonicContact NE2-OD1 3.16Å; H261-D300 IonicContact NE2-OD2 2.72Å; Y289-D300 VanDerWaalsContact CE1-OD2 3.23Å; Y289-D300 WeakPolarHBondContact CE1-OD2 3.46Å; Y289-D300 VanDerWaalsContact CZ-OD2 3.32Å; Y289-D300 PolarHBondContact OH-OD2 2.95Å; S296-D300 PolarHBondContact O-N 2.94Å; S296-D300 VanDerWaalsContact O-N 3.14Å; L297-D300 PolarHBondContact O-N 3.39Å; F298-D300 VanDerWaalsContact C-N 3.34Å; F298-D300 PolarHBondContact O-N 2.95Å; D300-R302 VanDerWaalsContact C-N 3.27Å; D300-R302 PolarHBondContact O-N 3.4Å; D300-N303 PolarHBondContact O-N 3.25Å; D300-N303 VanDerWaalsContact O-N 3.1Å; D300-F304 VanDerWaalsContact O-CD2 3.28Å; D300-F304 WeakPolarHBondContact O-CD2 3.32Å; D300-F304 PolarHBondContact O-N 2.58Å; D300-F304 VanDerWaalsContact O-N 3.1Å |
| 301 | I | 96 | Very high | 95.8 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.6 | -44.4 | 174 | -69.3 | 166.7 | 0 | 0 | 0 | 110.8 | I274 L297 F298 N303 F304 A305 L313 L314 | I274-I301 HydrophobicContact CD1-CD1 3.67Å; L297-I301 HydrophobicContact CD1-CD1 4.06Å; L297-I301 HydrophobicContact CD1-CG1 4.24Å; L297-I301 HydrophobicContact CD2-CD1 4.42Å; L297-I301 HydrophobicContact CG-CD1 3.82Å; L297-I301 HydrophobicContact CG-CG1 4.42Å; L297-I301 VanDerWaalsContact O-CG1 3.3Å; L297-I301 WeakPolarHBondContact O-CG1 3.46Å; L297-I301 PolarHBondContact O-N 2.81Å; F298-I301 PolarHBondContact O-N 2.66Å; I301-N303 VanDerWaalsContact C-N 3.26Å; I301-N303 PolarHBondContact O-N 3.38Å; I301-F304 PolarHBondContact O-N 3.06Å; I301-A305 HydrophobicContact CG2-CB 4.32Å; I301-A305 WeakPolarHBondContact O-CB 3.42Å; I301-A305 PolarHBondContact O-N 3.48Å; I301-L313 HydrophobicContact CD1-CB 4.39Å; I301-L313 HydrophobicContact CG2-CB 3.84Å; I301-L313 HydrophobicContact CG2-CD1 4.01Å; I301-L314 HydrophobicContact CB-CD2 3.78Å; I301-L314 HydrophobicContact CG2-CD2 3.55Å; I301-L314 HydrophobicContact CG2-CG 3.99Å |
| 302 | R | 94.9 | Very high | 95.9 | Very high | 158 Ų | 158 | 56.5 Ų | 56.5 | 60% | 0.596 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -63.1 | -30.2 | 179.1 | -176.3 | 169.7 | -169.9 | 172.6 | 3.3 | 113.6 | F298 H299 D300 E310 L314 | F298-R302 WeakPolarHBondContact O-CB 3.36Å; F298-R302 PolarHBondContact O-N 2.95Å; H299-R302 PolarHBondContact O-N 3.03Å; D300-R302 VanDerWaalsContact C-N 3.27Å; D300-R302 PolarHBondContact O-N 3.4Å; R302-E310 WeakPolarHBondContact CG-OE1 3.5Å; R302-L314 HydrophobicContact CB-CD1 4.4Å |
| 303 | N | 94.6 | Very high | 96 | Very high | 93 Ų | 93 | 49.9 Ų | 49.9 | 50% | 0.497 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -82.7 | -29.3 | -179.9 | -70.3 | -28.8 | 0 | 0 | 0 | 113.2 | H299 D300 I301 | H299-N303 PolarHBondContact CD2-ND2 3.21Å; H299-N303 PolarHBondContact CE1-ND2 3.21Å; H299-N303 PolarHBondContact NE2-ND2 3.15Å; H299-N303 VanDerWaalsContact O-CG 3.27Å; H299-N303 PolarHBondContact O-N 2.91Å; H299-N303 VanDerWaalsContact O-N 3.11Å; H299-N303 PolarHBondContact O-ND2 2.78Å; D300-N303 PolarHBondContact O-N 3.25Å; D300-N303 VanDerWaalsContact O-N 3.1Å; I301-N303 VanDerWaalsContact C-N 3.26Å; I301-N303 PolarHBondContact O-N 3.38Å |
| 304 | F | 93.9 | Very high | 96 | Very high | 103 Ų | 103 | 48.4 Ų | 48.4 | 45% | 0.452 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -109.2 | -21.5 | -171.8 | -72 | -81.6 | 0 | 0 | 0 | 114.5 | I260 H261 F265 D300 I301 | I260-F304 HydrophobicContact CG2-CD2 3.51Å; I260-F304 HydrophobicContact CG2-CE2 3.78Å; I260-F304 HydrophobicContact CG2-CG 4.11Å; H261-F304 AromaticContact NE2-CE2 3.77Å; F265-F304 HydrophobicContact CD2-CB 3.18Å; F265-F304 AromaticContact CD2-CG 3.94Å; F265-F304 HydrophobicContact CD2-CG 3.94Å; F265-F304 HydrophobicContact CE2-CB 3.46Å; F265-F304 VanDerWaalsContact CE2-CB 3.46Å; F265-F304 HydrophobicContact CE2-CG 4.47Å; F265-F304 HydrophobicContact CG-CB 4.05Å; D300-F304 VanDerWaalsContact O-CD2 3.28Å; D300-F304 WeakPolarHBondContact O-CD2 3.32Å; D300-F304 PolarHBondContact O-N 2.58Å; D300-F304 VanDerWaalsContact O-N 3.1Å; I301-F304 PolarHBondContact O-N 3.06Å |
| 305 | A | 94.8 | Very high | 96.1 | Very high | 12 Ų | 12 | 46.5 Ų | 46.5 | 10% | 0.099 | 24% | 0.237 | C | C | . | . | trans | -101.9 | 164.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | F265 I301 Y309 E310 | F265-A305 HydrophobicContact CZ-CB 4.09Å; I301-A305 HydrophobicContact CG2-CB 4.32Å; I301-A305 WeakPolarHBondContact O-CB 3.42Å; I301-A305 PolarHBondContact O-N 3.48Å; A305-Y309 HydrophobicContact CB-CD1 3.95Å; A305-Y309 HydrophobicContact CB-CE1 3.96Å; A305-E310 HydrophobicContact CB-CB 3.8Å; A305-E310 HydrophobicContact CB-CG 4.15Å | ||
| 306 | S | 95.9 | Very high | 96.3 | Very high | 91 Ų | 91 | 41.4 Ų | 41.4 | 64% | 0.636 | 22% | 0.215 | S | C | * | . | trans | -143.8 | 164.1 | 173.5 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | E310 | S306-E310 WeakPolarHBondContact CA-OE2 3.5Å; S306-E310 PolarHBondContact O-N 3.3Å | ||
| 307 | G | 97 | Very high | 96.2 | Very high | 42 Ų | 42 | 40.9 Ų | 40.9 | 43% | 0.433 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | 68.2 | -148.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y309 E310 K311 | G307-Y309 PolarHBondContact O-N 3.5Å; G307-E310 PolarHBondContact O-N 3.12Å; G307-K311 WeakPolarHBondContact O-CG 3.21Å; G307-K311 PolarHBondContact O-N 3.28Å |
| 308 | H | 97.1 | Very high | 95.6 | Very high | 61 Ų | 61 | 43.2 Ų | 43.2 | 28% | 0.282 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -68.6 | -25.6 | -177.9 | -66.7 | 94.7 | 0 | 0 | 0 | 113 | K37 D38 I41 F79 A312 | K37-H308 HydrophobicContact CB-CB 4.29Å; K37-H308 WeakPolarHBondContact CB-CD2 3.47Å; K37-H308 HydrophobicContact CD-CB 4.11Å; D38-H308 IonicContact OD1-CD2 3.12Å; D38-H308 IonicContact OD1-NE2 3.59Å; D38-H308 IonicContact OD2-NE2 3.92Å; I41-H308 HydrophobicContact CD1-CB 4.28Å; F79-H308 HydrophobicContact CD1-CB 4.45Å; F79-H308 VanDerWaalsContact CD2-C 3.46Å; F79-H308 HydrophobicContact CD2-CB 3.69Å; F79-H308 VanDerWaalsContact CD2-O 3.25Å; F79-H308 WeakPolarHBondContact CD2-O 3.5Å; F79-H308 HydrophobicContact CE2-CB 3.77Å; F79-H308 WeakPolarHBondContact CE2-O 3.28Å; F79-H308 HydrophobicContact CG-CB 4.04Å; F79-H308 HydrophobicContact CZ-CB 4.18Å; H308-A312 VanDerWaalsContact O-CB 3.31Å; H308-A312 WeakPolarHBondContact O-CB 3.18Å; H308-A312 PolarHBondContact O-N 3.47Å |
| 309 | Y | 97.8 | Very high | 94.3 | Very high | 21 Ų | 21 | 43 Ų | 43 | 8% | 0.082 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.1 | -51.6 | 173.3 | 170.8 | -127.1 | 0 | 0 | 0 | 111.3 | H78 V82 F265 N267 I271 A305 G307 K311 A312 L313 | H78-Y309 HydrophobicContact CB-CD1 4.11Å; H78-Y309 HydrophobicContact CB-CD2 3.68Å; H78-Y309 HydrophobicContact CB-CE1 4.11Å; H78-Y309 HydrophobicContact CB-CE2 3.71Å; H78-Y309 HydrophobicContact CB-CG 3.88Å; V82-Y309 HydrophobicContact CG2-CD2 3.85Å; V82-Y309 HydrophobicContact CG2-CE2 3.73Å; F265-Y309 AromaticContact CE1-CE1 3.89Å; F265-Y309 HydrophobicContact CE1-CE1 3.89Å; N267-Y309 WeakPolarHBondContact OD1-CE1 3.37Å; N267-Y309 VanDerWaalsContact OD1-CZ 3.23Å; N267-Y309 PolarHBondContact OD1-OH 3.27Å; I271-Y309 HydrophobicContact CD1-CE2 3.74Å; I271-Y309 HydrophobicContact CG1-CE2 3.74Å; A305-Y309 HydrophobicContact CB-CD1 3.95Å; A305-Y309 HydrophobicContact CB-CE1 3.96Å; G307-Y309 PolarHBondContact O-N 3.5Å; Y309-K311 PolarHBondContact O-N 3.45Å; Y309-A312 PolarHBondContact O-N 3.03Å; Y309-L313 HydrophobicContact CD2-CD1 4.29Å; Y309-L313 HydrophobicContact CD2-CG 4.17Å; Y309-L313 HydrophobicContact CE1-CD1 4.13Å; Y309-L313 HydrophobicContact CE2-CD1 3.57Å; Y309-L313 HydrophobicContact CE2-CD2 4Å; Y309-L313 HydrophobicContact CE2-CG 3.75Å; Y309-L313 WeakPolarHBondContact O-CG 3.3Å; Y309-L313 PolarHBondContact O-N 3.25Å; Y309-L313 VanDerWaalsContact O-N 3.09Å |
| 310 | E | 97.4 | Very high | 92.4 | Very high | 39 Ų | 39 | 41.8 Ų | 41.8 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.4 | -53 | 173 | -176.9 | -156.9 | 155.4 | 0 | 0 | 111.2 | R302 A305 S306 G307 A312 L313 L314 | R302-E310 WeakPolarHBondContact CG-OE1 3.5Å; A305-E310 HydrophobicContact CB-CB 3.8Å; A305-E310 HydrophobicContact CB-CG 4.15Å; S306-E310 WeakPolarHBondContact CA-OE2 3.5Å; S306-E310 PolarHBondContact O-N 3.3Å; G307-E310 PolarHBondContact O-N 3.12Å; E310-A312 PolarHBondContact O-N 3.28Å; E310-L313 PolarHBondContact O-N 3.04Å; E310-L313 VanDerWaalsContact O-N 3.14Å; E310-L314 HydrophobicContact CG-CD1 3.81Å; E310-L314 HydrophobicContact CG-CG 4.23Å; E310-L314 WeakPolarHBondContact O-CB 3.34Å; E310-L314 VanDerWaalsContact O-CG 3.29Å; E310-L314 WeakPolarHBondContact O-CG 3.28Å; E310-L314 PolarHBondContact O-N 2.94Å |
| 311 | K | 97.6 | Very high | 90.2 | Very high | 91 Ų | 91 | 42.5 Ų | 42.5 | 40% | 0.396 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -53.4 | -42.6 | 179.3 | -72.9 | 179.2 | 173.7 | -178.3 | 0 | 112.2 | D38 I41 G307 Y309 A315 | D38-K311 IonicContact OD1-NZ 2.8Å; D38-K311 PolarHBondContact OD1-NZ 2.82Å; D38-K311 IonicContact OD2-NZ 3.78Å; D38-K311 PolarHBondContact OD2-NZ 3.3Å; I41-K311 HydrophobicContact CD1-CB 3.84Å; I41-K311 HydrophobicContact CD1-CD 4.47Å; G307-K311 WeakPolarHBondContact O-CG 3.21Å; G307-K311 PolarHBondContact O-N 3.28Å; Y309-K311 PolarHBondContact O-N 3.45Å; K311-A315 VanDerWaalsContact O-CB 3.26Å; K311-A315 WeakPolarHBondContact O-CB 3.46Å; K311-A315 PolarHBondContact O-N 2.89Å |
| 312 | A | 98.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65 | -47.7 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | I41 F79 V82 M83 H308 Y309 E310 L314 A315 I316 | I41-A312 HydrophobicContact CD1-CB 4.36Å; I41-A312 HydrophobicContact CG1-CB 4.11Å; F79-A312 HydrophobicContact CD2-CB 4.2Å; F79-A312 HydrophobicContact CE2-CB 4.03Å; V82-A312 HydrophobicContact CG1-CB 4.02Å; M83-A312 HydrophobicContact CE-CB 3.58Å; H308-A312 VanDerWaalsContact O-CB 3.31Å; H308-A312 WeakPolarHBondContact O-CB 3.18Å; H308-A312 PolarHBondContact O-N 3.47Å; Y309-A312 PolarHBondContact O-N 3.03Å; E310-A312 PolarHBondContact O-N 3.28Å; A312-L314 PolarHBondContact O-N 3.07Å; A312-A315 PolarHBondContact O-N 3.26Å; A312-I316 WeakPolarHBondContact O-CG1 3.39Å; A312-I316 PolarHBondContact O-N 2.95Å |
| 313 | L | 98 | Very high | 85.5 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.1 | -45.6 | 177.9 | -66.7 | -173.9 | 0 | 0 | 0 | 111.4 | V82 V270 I271 I274 I301 Y309 E310 A315 I316 C317 | V82-L313 HydrophobicContact CG2-CD2 3.79Å; V270-L313 HydrophobicContact CG1-CD1 3.91Å; I271-L313 HydrophobicContact CG1-CD2 4.44Å; I274-L313 HydrophobicContact CD1-CB 4.33Å; I274-L313 HydrophobicContact CD1-CD1 4.38Å; I274-L313 HydrophobicContact CD1-CD2 3.93Å; I274-L313 HydrophobicContact CD1-CG 4.44Å; I274-L313 HydrophobicContact CG2-CD2 4.28Å; I301-L313 HydrophobicContact CD1-CB 4.39Å; I301-L313 HydrophobicContact CG2-CB 3.84Å; I301-L313 HydrophobicContact CG2-CD1 4.01Å; Y309-L313 HydrophobicContact CD2-CD1 4.29Å; Y309-L313 HydrophobicContact CD2-CG 4.17Å; Y309-L313 HydrophobicContact CE1-CD1 4.13Å; Y309-L313 HydrophobicContact CE2-CD1 3.57Å; Y309-L313 HydrophobicContact CE2-CD2 4Å; Y309-L313 HydrophobicContact CE2-CG 3.75Å; Y309-L313 WeakPolarHBondContact O-CG 3.3Å; Y309-L313 PolarHBondContact O-N 3.25Å; Y309-L313 VanDerWaalsContact O-N 3.09Å; E310-L313 PolarHBondContact O-N 3.04Å; E310-L313 VanDerWaalsContact O-N 3.14Å; L313-A315 VanDerWaalsContact C-N 3.32Å; L313-A315 PolarHBondContact O-N 3.47Å; L313-I316 PolarHBondContact O-N 3.46Å; L313-C317 PolarHBondContact O-N 3.35Å; L313-C317 PolarHBondContact O-SG 3.35Å; L313-C317 VanDerWaalsContact O-SG 3.41Å |
| 314 | L | 96.9 | Very high | 83.1 | Confident | 21 Ų | 21 | 55.7 Ų | 55.7 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 178.5 | -65 | -177.9 | 0 | 0 | 0 | 112.1 | F298 I301 R302 E310 A312 C317 A318 | F298-L314 HydrophobicContact CD1-CD2 4.11Å; F298-L314 HydrophobicContact CD2-CB 4.29Å; F298-L314 HydrophobicContact CD2-CD2 3.54Å; F298-L314 HydrophobicContact CD2-CG 4.41Å; F298-L314 HydrophobicContact CE1-CD1 4.27Å; F298-L314 HydrophobicContact CE1-CD2 4.16Å; F298-L314 HydrophobicContact CE2-CB 3.67Å; F298-L314 HydrophobicContact CE2-CD1 4.21Å; F298-L314 HydrophobicContact CE2-CD2 3.62Å; F298-L314 HydrophobicContact CE2-CG 4.01Å; F298-L314 HydrophobicContact CG-CD2 3.8Å; F298-L314 HydrophobicContact CZ-CB 4.13Å; F298-L314 HydrophobicContact CZ-CD1 3.86Å; F298-L314 HydrophobicContact CZ-CD2 3.92Å; F298-L314 HydrophobicContact CZ-CG 4.18Å; I301-L314 HydrophobicContact CB-CD2 3.78Å; I301-L314 HydrophobicContact CG2-CD2 3.55Å; I301-L314 HydrophobicContact CG2-CG 3.99Å; R302-L314 HydrophobicContact CB-CD1 4.4Å; E310-L314 HydrophobicContact CG-CD1 3.81Å; E310-L314 HydrophobicContact CG-CG 4.23Å; E310-L314 WeakPolarHBondContact O-CB 3.34Å; E310-L314 VanDerWaalsContact O-CG 3.29Å; E310-L314 WeakPolarHBondContact O-CG 3.28Å; E310-L314 PolarHBondContact O-N 2.94Å; A312-L314 PolarHBondContact O-N 3.07Å; L314-C317 PolarHBondContact O-N 2.92Å; L314-A318 PolarHBondContact O-N 3.02Å |
| 315 | A | 96.8 | Very high | 82.6 | Confident | 26 Ų | 26 | 53.3 Ų | 53.3 | 22% | 0.215 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.2 | -40.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | I41 T45 K311 A312 L313 C317 A318 | I41-A315 HydrophobicContact CG2-CB 3.79Å; T45-A315 HydrophobicContact CG2-CB 4.15Å; T45-A315 WeakPolarHBondContact OG1-CB 3.47Å; K311-A315 VanDerWaalsContact O-CB 3.26Å; K311-A315 WeakPolarHBondContact O-CB 3.46Å; K311-A315 PolarHBondContact O-N 2.89Å; A312-A315 PolarHBondContact O-N 3.26Å; L313-A315 VanDerWaalsContact C-N 3.32Å; L313-A315 PolarHBondContact O-N 3.47Å; A315-C317 VanDerWaalsContact C-N 3.34Å; A315-A318 PolarHBondContact O-N 3.27Å |
| 316 | I | 97.6 | Very high | 81.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -67.3 | -37.1 | 174.4 | -59.7 | 160.6 | 0 | 0 | 0 | 110.9 | T10 I11 T45 V82 L86 I274 L282 A312 L313 A318 | T10-I316 WeakPolarHBondContact CB-O 3.48Å; T10-I316 PolarHBondContact OG1-O 3.43Å; I11-I316 HydrophobicContact CD1-CG1 4.42Å; I11-I316 HydrophobicContact CD1-CG2 3.95Å; I11-I316 HydrophobicContact CG1-CG2 4.45Å; T45-I316 HydrophobicContact CG2-CD1 4.44Å; T45-I316 HydrophobicContact CG2-CG1 3.8Å; V82-I316 HydrophobicContact CG1-CD1 3.71Å; L86-I316 HydrophobicContact CD1-CD1 4.15Å; L86-I316 HydrophobicContact CD2-CD1 4.05Å; L86-I316 HydrophobicContact CD2-CG1 4.43Å; L86-I316 HydrophobicContact CG-CD1 4.45Å; I274-I316 HydrophobicContact CG2-CB 3.74Å; I274-I316 HydrophobicContact CG2-CD1 3.89Å; I274-I316 HydrophobicContact CG2-CG1 4.45Å; I274-I316 HydrophobicContact CG2-CG2 3.47Å; I274-I316 VanDerWaalsContact CG2-CG2 3.47Å; L282-I316 HydrophobicContact CD2-CG2 3.97Å; A312-I316 WeakPolarHBondContact O-CG1 3.39Å; A312-I316 PolarHBondContact O-N 2.95Å; L313-I316 PolarHBondContact O-N 3.46Å; I316-A318 PolarHBondContact O-N 3.38Å |
| 317 | C | 93.8 | Very high | 81.2 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.2 | -14 | 176.3 | -71.2 | 0 | 0 | 0 | 0 | 113.6 | R286 L313 L314 A315 | R286-C317 WeakPolarHBondContact CD-O 3.2Å; R286-C317 PolarHBondContact NE-O 3.18Å; R286-C317 PolarHBondContact NH1-O 2.92Å; L313-C317 PolarHBondContact O-N 3.35Å; L313-C317 PolarHBondContact O-SG 3.35Å; L313-C317 VanDerWaalsContact O-SG 3.41Å; L314-C317 PolarHBondContact O-N 2.92Å; A315-C317 VanDerWaalsContact C-N 3.34Å |
| 318 | A | 83.9 | Confident | 80.2 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 41% | 0.413 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58 | 49.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | T10 L314 A315 I316 | T10-A318 HydrophobicContact CG2-CB 4.4Å; L314-A318 PolarHBondContact O-N 3.02Å; A315-A318 PolarHBondContact O-N 3.27Å; I316-A318 PolarHBondContact O-N 3.38Å |
| 319 | G | 67.9 | Low | 79.2 | Confident | 27 Ų | 27 | 53.8 Ų | 53.8 | 28% | 0.278 | 28% | 0.276 | S | S | . | . | S | Bend | trans | 88.1 | -177.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | R286 F298 | R286-G319 PolarHBondContact NH2-O 2.97Å; F298-G319 WeakPolarHBondContact CD2-O 3.41Å |
| 320 | D | 54.5 | Low | 77.9 | Confident | 41 Ų | 41 | 55.9 Ų | 55.9 | 22% | 0.219 | 29% | 0.289 | C | S | . | . | trans | -87.5 | 147.5 | 177.2 | -149.5 | -21.5 | 0 | 0 | 0 | 110.6 | S296 F298 E322 | S296-D320 WeakPolarHBondContact CB-OD1 3.23Å; S296-D320 VanDerWaalsContact OG-CG 3.3Å; S296-D320 PolarHBondContact OG-OD1 2.86Å; S296-D320 PolarHBondContact OG-OD2 3.25Å; F298-D320 HydrophobicContact CB-CB 4.23Å; F298-D320 HydrophobicContact CD1-CB 3.89Å; F298-D320 HydrophobicContact CE1-CB 4.46Å; F298-D320 HydrophobicContact CG-CB 4.02Å; D320-E322 PolarHBondContact O-N 2.86Å | ||
| 321 | A | 50.3 | Low | 76.6 | Confident | 16 Ų | 16 | 57.1 Ų | 57.1 | 13% | 0.132 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | 29.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K290 D323 | K290-A321 HydrophobicContact CD-CB 4.14Å; K290-A321 PolarHBondContact NZ-O 2.99Å; A321-D323 VanDerWaalsContact C-N 3.35Å |
| 322 | E | 46.3 | Very low | 74.9 | Confident | 161 Ų | 161 | 54.5 Ų | 54.5 | 75% | 0.752 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -10.8 | 167.2 | -64.7 | -159.9 | 159 | 0 | 0 | 111.8 | D320 | D320-E322 PolarHBondContact O-N 2.86Š|
| 323 | D | 45.2 | Very low | 73 | Confident | 136 Ų | 136 | 59.1 Ų | 59.1 | 73% | 0.727 | 31% | 0.313 | S | S | * | . | trans | -98.5 | 11.7 | -179.5 | -67.6 | -37.8 | 0 | 0 | 0 | 114.9 | A321 | A321-D323 VanDerWaalsContact C-N 3.35Š| ||
| 324 | Y | 44.7 | Very low | 70.7 | Confident | 231 Ų | 231 | 64.5 Ų | 64.5 | 91% | 0.906 | 34% | 0.341 | S | S | * | . | trans | -137.5 | 0 | 178.9 | -67.6 | -78.9 | 0 | 0 | 0 | 113.9 |
Retrieved 324 of 324 residues in 111.9 ms
(Link to these results)