| 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 | 47 | Very low | 79.4 | Confident | 223 Ų | 223 | 97.4 Ų | 97.4 | 100% | 1.099 | 52% | 0.522 | S | S | * | . | 0 | 28.6 | 0 | -165.1 | 177.7 | 155.1 | 0 | 0 | 112.9 | |||||
| 2 | L | 55.9 | Low | 80.4 | Confident | 169 Ų | 169 | 93.7 Ų | 93.7 | 89% | 0.885 | 50% | 0.502 | S | S | * | . | trans | -150.6 | 9.3 | 177.3 | -108.2 | 158.4 | 0 | 0 | 0 | 115.5 | ||||
| 3 | L | 64.3 | Low | 81.4 | Confident | 54 Ų | 54 | 97.2 Ų | 97.2 | 28% | 0.283 | 51% | 0.513 | S | S | . | . | trans | -112.3 | 113.1 | 167.7 | -99.4 | 82.5 | 0 | 0 | 0 | 108.4 | F7 L8 I289 I293 | L3-F7 HydrophobicContact CD2-CD1 3.54Å; L3-F7 HydrophobicContact CD2-CE1 3.82Å; L3-F7 HydrophobicContact CG-CD1 3.79Å; L3-F7 HydrophobicContact CG-CE1 4.24Å; L3-L8 HydrophobicContact CD2-CD1 4.43Å; L3-L8 HydrophobicContact CD2-CD2 3.37Å; L3-L8 HydrophobicContact CD2-CG 3.77Å; L3-I289 HydrophobicContact CD1-CD1 4.23Å; L3-I293 HydrophobicContact CD1-CD1 3.58Å; L3-I293 HydrophobicContact CD2-CD1 3.44Å; L3-I293 VanDerWaalsContact CD2-CD1 3.44Å; L3-I293 HydrophobicContact CD2-CG1 3.61Å; L3-I293 HydrophobicContact CG-CD1 4.11Å | ||
| 4 | T | 81.1 | Confident | 82.2 | Confident | 100 Ų | 100 | 96.1 Ų | 96.1 | 61% | 0.613 | 50% | 0.503 | S | S | * | . | trans | -69.1 | 140.5 | 166.7 | 42.6 | 0 | 0 | 0 | 0 | 109.3 | A6 F7 L8 | T4-A6 PolarHBondContact O-N 2.87Å; T4-A6 VanDerWaalsContact O-N 3.13Å; T4-F7 WeakPolarHBondContact O-CB 3.29Å; T4-F7 PolarHBondContact O-N 2.75Å; T4-L8 PolarHBondContact O-N 3.04Å | ||
| 5 | D | 83.9 | Confident | 82.8 | Confident | 126 Ų | 126 | 92.6 Ų | 92.6 | 67% | 0.674 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -52.2 | -38 | 178.7 | -60.4 | -38.4 | 0 | 0 | 0 | 111.7 | F7 L8 D9 | D5-F7 VanDerWaalsContact C-N 3.26Å; D5-F7 PolarHBondContact O-N 3.16Å; D5-F7 VanDerWaalsContact O-N 3.17Å; D5-L8 WeakPolarHBondContact O-CA 3.15Å; D5-L8 WeakPolarHBondContact O-CB 3.22Å; D5-L8 PolarHBondContact O-N 3.06Å; D5-D9 PolarHBondContact O-N 3.18Å |
| 6 | A | 88 | Confident | 83.3 | Confident | 60 Ų | 60 | 95.4 Ų | 95.4 | 50% | 0.496 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -55.6 | -34.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | T4 I10 | T4-A6 PolarHBondContact O-N 2.87Å; T4-A6 VanDerWaalsContact O-N 3.13Å; A6-I10 WeakPolarHBondContact O-CD1 3.14Å; A6-I10 VanDerWaalsContact O-CG1 3.27Å; A6-I10 WeakPolarHBondContact O-CG1 3.36Å; A6-I10 PolarHBondContact O-N 3.04Å |
| 7 | F | 89.6 | Confident | 83.8 | Confident | 95 Ų | 95 | 94.8 Ų | 94.8 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -73.3 | -37.7 | 176.4 | 174.6 | -94.8 | 0 | 0 | 0 | 111.3 | L3 T4 D5 D9 L11 I293 | L3-F7 HydrophobicContact CD2-CD1 3.54Å; L3-F7 HydrophobicContact CD2-CE1 3.82Å; L3-F7 HydrophobicContact CG-CD1 3.79Å; L3-F7 HydrophobicContact CG-CE1 4.24Å; T4-F7 WeakPolarHBondContact O-CB 3.29Å; T4-F7 PolarHBondContact O-N 2.75Å; D5-F7 VanDerWaalsContact C-N 3.26Å; D5-F7 PolarHBondContact O-N 3.16Å; D5-F7 VanDerWaalsContact O-N 3.17Å; F7-D9 VanDerWaalsContact C-N 3.35Å; F7-L11 HydrophobicContact CE1-CD2 4.24Å; F7-L11 WeakPolarHBondContact O-CB 3.39Å; F7-L11 PolarHBondContact O-N 3.43Å; F7-I293 HydrophobicContact CE1-CD1 4.39Å |
| 8 | L | 88.7 | Confident | 84.2 | Confident | 26 Ų | 26 | 90.7 Ų | 90.7 | 14% | 0.136 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 174.9 | -72.4 | 173.2 | 0 | 0 | 0 | 110.9 | L3 T4 D5 L11 D12 K292 | L3-L8 HydrophobicContact CD2-CD1 4.43Å; L3-L8 HydrophobicContact CD2-CD2 3.37Å; L3-L8 HydrophobicContact CD2-CG 3.77Å; T4-L8 PolarHBondContact O-N 3.04Å; D5-L8 WeakPolarHBondContact O-CA 3.15Å; D5-L8 WeakPolarHBondContact O-CB 3.22Å; D5-L8 PolarHBondContact O-N 3.06Å; L8-L11 WeakPolarHBondContact O-CB 3.21Å; L8-L11 PolarHBondContact O-N 3.03Å; L8-D12 PolarHBondContact O-N 2.82Å; L8-K292 HydrophobicContact CD1-CD 4.5Å; L8-K292 HydrophobicContact CD2-CB 4.23Å |
| 9 | D | 90.9 | Very high | 84.3 | Confident | 94 Ų | 94 | 89.2 Ų | 89.2 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 178.7 | -66.4 | -22.1 | 0 | 0 | 0 | 112.3 | D5 F7 L11 D12 Q13 | D5-D9 PolarHBondContact O-N 3.18Å; F7-D9 VanDerWaalsContact C-N 3.35Å; D9-L11 VanDerWaalsContact C-N 3.29Å; D9-L11 PolarHBondContact O-N 3.37Å; D9-D12 PolarHBondContact O-N 3.16Å; D9-Q13 WeakPolarHBondContact O-CG 3.31Å; D9-Q13 PolarHBondContact O-N 3.18Å |
| 10 | I | 92.5 | Very high | 84.4 | Confident | 110 Ų | 110 | 91.1 Ų | 91.1 | 56% | 0.564 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.3 | -42.6 | 174.8 | -69.2 | 165.6 | 0 | 0 | 0 | 110.4 | A6 D12 Q13 F14 | A6-I10 WeakPolarHBondContact O-CD1 3.14Å; A6-I10 VanDerWaalsContact O-CG1 3.27Å; A6-I10 WeakPolarHBondContact O-CG1 3.36Å; A6-I10 PolarHBondContact O-N 3.04Å; I10-D12 VanDerWaalsContact C-N 3.32Å; I10-D12 PolarHBondContact O-N 3.12Å; I10-Q13 PolarHBondContact O-N 3.11Å; I10-F14 PolarHBondContact O-N 2.92Å |
| 11 | L | 91.8 | Very high | 84.7 | Confident | 14 Ų | 14 | 90.5 Ų | 90.5 | 7% | 0.073 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -67.1 | -35.7 | -179.5 | -174.3 | 60.5 | 0 | 0 | 0 | 111.8 | F7 L8 D9 H15 I293 K296 L297 | F7-L11 HydrophobicContact CE1-CD2 4.24Å; F7-L11 WeakPolarHBondContact O-CB 3.39Å; F7-L11 PolarHBondContact O-N 3.43Å; L8-L11 WeakPolarHBondContact O-CB 3.21Å; L8-L11 PolarHBondContact O-N 3.03Å; D9-L11 VanDerWaalsContact C-N 3.29Å; D9-L11 PolarHBondContact O-N 3.37Å; L11-H15 WeakPolarHBondContact O-CB 3.1Å; L11-H15 PolarHBondContact O-N 3.21Å; L11-I293 HydrophobicContact CD2-CB 4.46Å; L11-I293 HydrophobicContact CD2-CG2 4.01Å; L11-K296 HydrophobicContact CB-CD 4.37Å; L11-K296 HydrophobicContact CD1-CB 4.29Å; L11-K296 HydrophobicContact CD2-CB 3.89Å; L11-K296 HydrophobicContact CD2-CD 3.86Å; L11-K296 HydrophobicContact CD2-CG 4.47Å; L11-K296 HydrophobicContact CG-CB 3.71Å; L11-K296 HydrophobicContact CG-CD 3.83Å; L11-K296 HydrophobicContact CG-CG 4.42Å; L11-L297 HydrophobicContact CD1-CD2 3.52Å; L11-L297 HydrophobicContact CD1-CG 3.86Å; L11-L297 HydrophobicContact CD2-CG 4.42Å |
| 12 | D | 91.5 | Very high | 86.8 | Confident | 53 Ų | 53 | 80 Ų | 80 | 28% | 0.283 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -65.3 | -46.5 | 173.1 | -87.1 | -43.8 | 0 | 0 | 0 | 112.6 | L8 D9 I10 F14 H15 M16 K296 | L8-D12 PolarHBondContact O-N 2.82Å; D9-D12 PolarHBondContact O-N 3.16Å; I10-D12 VanDerWaalsContact C-N 3.32Å; I10-D12 PolarHBondContact O-N 3.12Å; D12-F14 VanDerWaalsContact C-N 3.3Å; D12-F14 PolarHBondContact O-N 3.23Å; D12-H15 PolarHBondContact O-N 3.37Å; D12-M16 WeakPolarHBondContact O-CG 3.5Å; D12-M16 PolarHBondContact O-N 3.06Å; D12-K296 WeakPolarHBondContact OD1-CD 3.13Å; D12-K296 IonicContact OD1-NZ 3.7Å; D12-K296 PolarHBondContact OD1-NZ 3.02Å; D12-K296 IonicContact OD2-NZ 3.58Å; D12-K296 PolarHBondContact OD2-NZ 3.1Å |
| 13 | Q | 92.8 | Very high | 88.4 | Confident | 139 Ų | 139 | 72 Ų | 72 | 65% | 0.65 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.8 | -43.1 | 176.1 | -72.1 | 176.1 | 7.4 | 0 | 0 | 111.6 | D9 I10 S17 | D9-Q13 WeakPolarHBondContact O-CG 3.31Å; D9-Q13 PolarHBondContact O-N 3.18Å; I10-Q13 PolarHBondContact O-N 3.11Å; Q13-S17 WeakPolarHBondContact O-CB 3.24Å; Q13-S17 PolarHBondContact O-N 2.96Å; Q13-S17 VanDerWaalsContact O-N 3.11Å |
| 14 | F | 93.4 | Very high | 89.8 | Confident | 83 Ų | 83 | 75.4 Ų | 75.4 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -61 | -49.2 | 174.2 | 171.4 | -97.2 | 0 | 0 | 0 | 111.7 | I10 D12 M16 S17 Y18 L300 | I10-F14 PolarHBondContact O-N 2.92Å; D12-F14 VanDerWaalsContact C-N 3.3Å; D12-F14 PolarHBondContact O-N 3.23Å; F14-M16 PolarHBondContact O-N 2.99Å; F14-S17 PolarHBondContact O-N 2.82Å; F14-Y18 HydrophobicContact CE1-CD1 4.49Å; F14-Y18 HydrophobicContact CE1-CG 4.49Å; F14-Y18 HydrophobicContact CZ-CD1 4.49Å; F14-Y18 HydrophobicContact CZ-CG 4.17Å; F14-Y18 VanDerWaalsContact O-CB 3.26Å; F14-Y18 WeakPolarHBondContact O-CB 3.43Å; F14-Y18 PolarHBondContact O-N 2.72Å; F14-L300 HydrophobicContact CE1-CB 4.27Å; F14-L300 HydrophobicContact CE1-CD2 4.04Å; F14-L300 HydrophobicContact CZ-CB 4.42Å; F14-L300 HydrophobicContact CZ-CD1 4.33Å; F14-L300 HydrophobicContact CZ-CD2 3.93Å; F14-L300 HydrophobicContact CZ-CG 4.45Å |
| 15 | H | 91.2 | Very high | 90.4 | Very high | 43 Ų | 43 | 74.2 Ų | 74.2 | 20% | 0.199 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -57.8 | -49.8 | -179.1 | 176.1 | 74.3 | 0 | 0 | 0 | 111.2 | L11 D12 S17 Y18 Q19 K296 D299 | L11-H15 WeakPolarHBondContact O-CB 3.1Å; L11-H15 PolarHBondContact O-N 3.21Å; D12-H15 PolarHBondContact O-N 3.37Å; H15-S17 PolarHBondContact O-N 3.03Å; H15-Y18 PolarHBondContact O-N 3.45Å; H15-Q19 PolarHBondContact CE1-NE2 2.76Å; H15-Q19 WeakPolarHBondContact O-CG 3.33Å; H15-Q19 PolarHBondContact O-N 3.47Å; H15-K296 HydrophobicContact CB-CB 4.21Å; H15-K296 PolarHBondContact ND1-O 3.35Å; H15-D299 IonicContact CE1-OD2 3.86Å |
| 16 | M | 90 | Very high | 90.9 | Very high | 137 Ų | 137 | 68.2 Ų | 68.2 | 68% | 0.675 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -59 | -45.8 | 178.6 | -70.1 | -175.1 | 69.7 | 0 | 0 | 112.3 | D12 F14 Y18 | D12-M16 WeakPolarHBondContact O-CG 3.5Å; D12-M16 PolarHBondContact O-N 3.06Å; F14-M16 PolarHBondContact O-N 2.99Å; M16-Y18 VanDerWaalsContact C-N 3.29Å; M16-Y18 PolarHBondContact O-N 3.17Å |
| 17 | S | 91.7 | Very high | 91.2 | Very high | 85 Ų | 85 | 67.3 Ų | 67.3 | 59% | 0.594 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -68 | -29 | 179.3 | -178.5 | 0 | 0 | 0 | 0 | 113.2 | Q13 F14 H15 | Q13-S17 WeakPolarHBondContact O-CB 3.24Å; Q13-S17 PolarHBondContact O-N 2.96Å; Q13-S17 VanDerWaalsContact O-N 3.11Å; F14-S17 PolarHBondContact O-N 2.82Å; H15-S17 PolarHBondContact O-N 3.03Å |
| 18 | Y | 92 | Very high | 91.5 | Very high | 21 Ų | 21 | 65.6 Ų | 65.6 | 8% | 0.082 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -84.2 | -30.4 | -176.6 | 177 | -114.7 | 0 | 0 | 0 | 112.7 | F14 H15 M16 D20 V21 H22 D299 L300 L303 | F14-Y18 HydrophobicContact CE1-CD1 4.49Å; F14-Y18 HydrophobicContact CE1-CG 4.49Å; F14-Y18 HydrophobicContact CZ-CD1 4.49Å; F14-Y18 HydrophobicContact CZ-CG 4.17Å; F14-Y18 VanDerWaalsContact O-CB 3.26Å; F14-Y18 WeakPolarHBondContact O-CB 3.43Å; F14-Y18 PolarHBondContact O-N 2.72Å; H15-Y18 PolarHBondContact O-N 3.45Å; M16-Y18 VanDerWaalsContact C-N 3.29Å; M16-Y18 PolarHBondContact O-N 3.17Å; Y18-D20 PolarHBondContact O-N 2.87Å; Y18-V21 HydrophobicContact CD2-CG2 3.97Å; Y18-V21 HydrophobicContact CE2-CG2 4.44Å; Y18-V21 WeakPolarHBondContact O-CG2 3.46Å; Y18-V21 PolarHBondContact O-N 3.45Å; Y18-V21 VanDerWaalsContact O-N 3.14Å; Y18-H22 HydrophobicContact CD1-CB 4.17Å; Y18-H22 HydrophobicContact CE1-CB 3.82Å; Y18-H22 AromaticContact CE1-CG 3.8Å; Y18-H22 AromaticContact CE1-ND1 3.44Å; Y18-H22 WeakPolarHBondContact CE1-ND1 3.46Å; Y18-H22 HydrophobicContact CE2-CB 4.28Å; Y18-H22 AromaticContact CZ-CG 3.94Å; Y18-H22 AromaticContact CZ-ND1 3.35Å; Y18-H22 VanDerWaalsContact CZ-ND1 3.35Å; Y18-H22 WeakPolarHBondContact O-CB 3.47Å; Y18-H22 PolarHBondContact O-N 3.08Å; Y18-H22 PolarHBondContact OH-ND1 2.93Å; Y18-D299 HydrophobicContact CD1-CB 4.18Å; Y18-D299 HydrophobicContact CE1-CB 3.63Å; Y18-D299 PolarHBondContact OH-O 3.28Å; Y18-D299 VanDerWaalsContact OH-O 3.05Å; Y18-L300 HydrophobicContact CE1-CB 4.39Å; Y18-L303 HydrophobicContact CE2-CD2 4.09Å; Y18-L303 WeakPolarHBondContact OH-CB 3.23Å; Y18-L303 WeakPolarHBondContact OH-CD2 3.31Å |
| 19 | Q | 86.3 | Confident | 91.8 | Very high | 63 Ų | 63 | 66 Ų | 66 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -51 | -44.3 | 177 | -80.3 | -57 | -49.8 | 0 | 0 | 112.4 | H15 V21 H22 D299 | H15-Q19 PolarHBondContact CE1-NE2 2.76Å; H15-Q19 WeakPolarHBondContact O-CG 3.33Å; H15-Q19 PolarHBondContact O-N 3.47Å; Q19-V21 PolarHBondContact O-N 3.41Å; Q19-V21 VanDerWaalsContact O-N 3.15Å; Q19-H22 PolarHBondContact O-N 3.1Å; Q19-D299 PolarHBondContact NE2-OD2 3.42Å |
| 20 | D | 85 | Confident | 92.1 | Very high | 126 Ų | 126 | 61.5 Ų | 61.5 | 67% | 0.674 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.4 | -30 | -176.6 | -64.3 | -17.6 | 0 | 0 | 0 | 113.6 | Y18 | Y18-D20 PolarHBondContact O-N 2.87Å |
| 21 | V | 90.3 | Very high | 92.3 | Very high | 80 Ų | 80 | 60.8 Ų | 60.8 | 49% | 0.485 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -107.3 | -20.8 | -176.4 | -63.2 | 0 | 0 | 0 | 0 | 113.3 | Y18 Q19 G23 H24 L25 | Y18-V21 HydrophobicContact CD2-CG2 3.97Å; Y18-V21 HydrophobicContact CE2-CG2 4.44Å; Y18-V21 WeakPolarHBondContact O-CG2 3.46Å; Y18-V21 PolarHBondContact O-N 3.45Å; Y18-V21 VanDerWaalsContact O-N 3.14Å; Q19-V21 PolarHBondContact O-N 3.41Å; Q19-V21 VanDerWaalsContact O-N 3.15Å; V21-G23 PolarHBondContact O-N 2.98Å; V21-H24 PolarHBondContact O-N 3.41Å; V21-L25 WeakPolarHBondContact O-CB 3.47Å; V21-L25 PolarHBondContact O-N 3.3Å; V21-L25 VanDerWaalsContact O-N 3.08Å |
| 22 | H | 91.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -56.5 | -52.3 | -173.3 | 173.6 | 65.7 | 0 | 0 | 0 | 112 | Y18 Q19 H24 L25 C26 Y71 D299 | Y18-H22 HydrophobicContact CD1-CB 4.17Å; Y18-H22 HydrophobicContact CE1-CB 3.82Å; Y18-H22 AromaticContact CE1-CG 3.8Å; Y18-H22 AromaticContact CE1-ND1 3.44Å; Y18-H22 WeakPolarHBondContact CE1-ND1 3.46Å; Y18-H22 HydrophobicContact CE2-CB 4.28Å; Y18-H22 AromaticContact CZ-CG 3.94Å; Y18-H22 AromaticContact CZ-ND1 3.35Å; Y18-H22 VanDerWaalsContact CZ-ND1 3.35Å; Y18-H22 WeakPolarHBondContact O-CB 3.47Å; Y18-H22 PolarHBondContact O-N 3.08Å; Y18-H22 PolarHBondContact OH-ND1 2.93Å; Q19-H22 PolarHBondContact O-N 3.1Å; H22-H24 PolarHBondContact O-N 3.44Å; H22-L25 PolarHBondContact O-N 2.93Å; H22-C26 PolarHBondContact CE1-SG 3.32Å; H22-C26 PolarHBondContact ND1-SG 3.36Å; H22-C26 VanDerWaalsContact ND1-SG 3.43Å; H22-C26 WeakPolarHBondContact O-CB 3.47Å; H22-C26 PolarHBondContact O-N 3.25Å; H22-C26 PolarHBondContact O-SG 3.19Å; H22-C26 VanDerWaalsContact O-SG 3.33Å; H22-Y71 PolarHBondContact NE2-OH 3.18Å; H22-D299 PolarHBondContact CE1-O 3.35Å; H22-D299 PolarHBondContact ND1-O 3.15Å; H22-D299 IonicContact NE2-OD1 3.5Å |
| 23 | G | 91 | Very high | 92.8 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 3% | 0.031 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.5 | -50.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V21 I27 | V21-G23 PolarHBondContact O-N 2.98Å; G23-I27 WeakPolarHBondContact O-CG1 3.43Å; G23-I27 PolarHBondContact O-N 2.89Å; G23-I27 VanDerWaalsContact O-N 3.08Å |
| 24 | H | 91.8 | Very high | 93 | Very high | 124 Ų | 124 | 57.6 Ų | 57.6 | 57% | 0.574 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66.5 | -42.8 | -178.7 | -61.9 | -55.2 | 0 | 0 | 0 | 112.9 | V21 H22 I27 A28 | V21-H24 PolarHBondContact O-N 3.41Å; H22-H24 PolarHBondContact O-N 3.44Å; H24-I27 PolarHBondContact O-N 3.33Å; H24-A28 PolarHBondContact O-N 2.87Å; H24-A28 VanDerWaalsContact O-N 3.16Å |
| 25 | L | 94.1 | Very high | 93.1 | Very high | 76 Ų | 76 | 57.7 Ų | 57.7 | 40% | 0.398 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.8 | -45.2 | 179.4 | -176.8 | 63.5 | 0 | 0 | 0 | 111.2 | V21 H22 A28 L29 L303 | V21-L25 WeakPolarHBondContact O-CB 3.47Å; V21-L25 PolarHBondContact O-N 3.3Å; V21-L25 VanDerWaalsContact O-N 3.08Å; H22-L25 PolarHBondContact O-N 2.93Å; L25-A28 PolarHBondContact O-N 3.4Å; L25-L29 HydrophobicContact CG-CD1 4.2Å; L25-L29 WeakPolarHBondContact O-CG 3.46Å; L25-L29 PolarHBondContact O-N 2.86Å; L25-L303 HydrophobicContact CD2-CD1 3.52Å; L25-L303 HydrophobicContact CD2-CD2 3.68Å; L25-L303 HydrophobicContact CD2-CG 4.26Å; L25-L303 HydrophobicContact CG-CD1 3.88Å |
| 26 | C | 95.3 | Very high | 93.3 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.7 | -38.9 | 179.9 | -72.1 | 0 | 0 | 0 | 0 | 112.7 | H22 A28 L29 C30 Y71 I75 L306 | H22-C26 PolarHBondContact CE1-SG 3.32Å; H22-C26 PolarHBondContact ND1-SG 3.36Å; H22-C26 VanDerWaalsContact ND1-SG 3.43Å; H22-C26 WeakPolarHBondContact O-CB 3.47Å; H22-C26 PolarHBondContact O-N 3.25Å; H22-C26 PolarHBondContact O-SG 3.19Å; H22-C26 VanDerWaalsContact O-SG 3.33Å; C26-A28 PolarHBondContact O-N 3.36Å; C26-L29 PolarHBondContact O-N 2.97Å; C26-C30 WeakPolarHBondContact O-CB 3.2Å; C26-C30 PolarHBondContact O-N 3.19Å; C26-C30 PolarHBondContact O-SG 3.43Å; C26-C30 VanDerWaalsContact O-SG 3.35Å; C26-Y71 HydrophobicContact CB-CE1 3.94Å; C26-I75 HydrophobicContact CB-CD1 3.39Å; C26-L306 HydrophobicContact CB-CD1 3.63Å; C26-L306 WeakPolarHBondContact SG-CD1 3.31Å |
| 27 | I | 94.6 | Very high | 93.7 | Very high | 41 Ų | 41 | 49.3 Ų | 49.3 | 21% | 0.21 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -59.4 | -48.1 | 174.1 | -72.9 | 171.9 | 0 | 0 | 0 | 110.6 | G23 H24 L29 C30 L31 L72 I75 I80 | G23-I27 WeakPolarHBondContact O-CG1 3.43Å; G23-I27 PolarHBondContact O-N 2.89Å; G23-I27 VanDerWaalsContact O-N 3.08Å; H24-I27 PolarHBondContact O-N 3.33Å; I27-L29 VanDerWaalsContact C-N 3.32Å; I27-L29 PolarHBondContact O-N 3.44Å; I27-C30 PolarHBondContact O-N 2.97Å; I27-L31 HydrophobicContact CG2-CD1 3.84Å; I27-L31 HydrophobicContact CG2-CG 4.31Å; I27-L31 WeakPolarHBondContact O-CB 3.24Å; I27-L31 WeakPolarHBondContact O-CG 3.31Å; I27-L31 PolarHBondContact O-N 2.92Å; I27-L72 HydrophobicContact CB-CD1 4.44Å; I27-L72 HydrophobicContact CG1-CD1 4.18Å; I27-L72 HydrophobicContact CG2-CD1 4.18Å; I27-I75 HydrophobicContact CD1-CG2 4.22Å; I27-I75 HydrophobicContact CG1-CG2 3.51Å; I27-I80 HydrophobicContact CD1-CD1 4.16Å; I27-I80 HydrophobicContact CD1-CG1 3.6Å |
| 28 | A | 95 | Very high | 93.9 | Very high | 59 Ų | 59 | 48.6 Ų | 48.6 | 49% | 0.488 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.9 | -44.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | H24 L25 C26 F32 | H24-A28 PolarHBondContact O-N 2.87Å; H24-A28 VanDerWaalsContact O-N 3.16Å; L25-A28 PolarHBondContact O-N 3.4Å; C26-A28 PolarHBondContact O-N 3.36Å; A28-F32 WeakPolarHBondContact O-CB 3.26Å; A28-F32 PolarHBondContact O-N 2.92Å |
| 29 | L | 96.2 | Very high | 94 | Very high | 34 Ų | 34 | 49.4 Ų | 49.4 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.6 | -38.3 | 177.6 | -72.5 | 173.7 | 0 | 0 | 0 | 113.1 | L25 C26 I27 G33 L303 L306 I307 N310 | L25-L29 HydrophobicContact CG-CD1 4.2Å; L25-L29 WeakPolarHBondContact O-CG 3.46Å; L25-L29 PolarHBondContact O-N 2.86Å; C26-L29 PolarHBondContact O-N 2.97Å; I27-L29 VanDerWaalsContact C-N 3.32Å; I27-L29 PolarHBondContact O-N 3.44Å; L29-G33 WeakPolarHBondContact O-CA 3.47Å; L29-G33 PolarHBondContact O-N 3.22Å; L29-L303 HydrophobicContact CD1-CD1 3.35Å; L29-L306 HydrophobicContact CB-CB 4.31Å; L29-L306 HydrophobicContact CB-CD1 4.42Å; L29-L306 HydrophobicContact CD1-CB 4.2Å; L29-I307 HydrophobicContact CD1-CG1 4.14Å; L29-N310 PolarHBondContact O-ND2 3.21Å; L29-N310 VanDerWaalsContact O-ND2 3.11Å; L29-N310 PolarHBondContact O-OD1 3.4Å |
| 30 | C | 97.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -67.3 | -46.8 | 176.7 | -77.1 | 0 | 0 | 0 | 0 | 111.2 | C26 I27 G33 I34 M68 L72 | C26-C30 WeakPolarHBondContact O-CB 3.2Å; C26-C30 PolarHBondContact O-N 3.19Å; C26-C30 PolarHBondContact O-SG 3.43Å; C26-C30 VanDerWaalsContact O-SG 3.35Å; I27-C30 PolarHBondContact O-N 2.97Å; C30-G33 PolarHBondContact O-N 3.46Å; C30-I34 WeakPolarHBondContact O-CB 3.47Å; C30-I34 WeakPolarHBondContact O-CD1 3.47Å; C30-I34 WeakPolarHBondContact O-CG1 3.32Å; C30-I34 PolarHBondContact O-N 3.36Å; C30-M68 HydrophobicContact CB-CB 4.39Å; C30-L72 HydrophobicContact CB-CB 3.98Å; C30-L72 HydrophobicContact CB-CD1 4.07Å; C30-L72 HydrophobicContact CB-CG 4.49Å |
| 31 | L | 96.3 | Very high | 94.9 | Very high | 94 Ų | 94 | 43.6 Ų | 43.6 | 49% | 0.492 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.3 | -47.9 | 179.1 | -69.7 | 174.8 | 0 | 0 | 0 | 111.5 | I27 G33 V35 L72 | I27-L31 HydrophobicContact CG2-CD1 3.84Å; I27-L31 HydrophobicContact CG2-CG 4.31Å; I27-L31 WeakPolarHBondContact O-CB 3.24Å; I27-L31 WeakPolarHBondContact O-CG 3.31Å; I27-L31 PolarHBondContact O-N 2.92Å; L31-G33 VanDerWaalsContact C-N 3.34Å; L31-V35 WeakPolarHBondContact O-CG2 3.35Å; L31-V35 PolarHBondContact O-N 2.92Å; L31-L72 HydrophobicContact CD2-CD1 4.43Å; L31-L72 HydrophobicContact CD2-CD2 3.74Å; L31-L72 HydrophobicContact CG-CD1 4.44Å; L31-L72 HydrophobicContact CG-CD2 4.5Å |
| 32 | F | 96.4 | Very high | 95.2 | Very high | 102 Ų | 102 | 43 Ų | 43 | 45% | 0.447 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.1 | -42 | 175 | -179.5 | -107.7 | 0 | 0 | 0 | 111.7 | A28 V35 T36 N310 I314 | A28-F32 WeakPolarHBondContact O-CB 3.26Å; A28-F32 PolarHBondContact O-N 2.92Å; F32-V35 PolarHBondContact O-N 3.18Å; F32-T36 HydrophobicContact CD1-CG2 4.29Å; F32-T36 HydrophobicContact CD2-CG2 4.09Å; F32-T36 HydrophobicContact CE1-CG2 3.87Å; F32-T36 HydrophobicContact CE2-CG2 3.66Å; F32-T36 HydrophobicContact CG-CG2 4.38Å; F32-T36 HydrophobicContact CZ-CG2 3.53Å; F32-T36 WeakPolarHBondContact O-CB 3.35Å; F32-T36 WeakPolarHBondContact O-CG2 3.45Å; F32-T36 PolarHBondContact O-N 2.93Å; F32-T36 PolarHBondContact O-OG1 2.98Å; F32-N310 WeakPolarHBondContact CD1-OD1 3.49Å; F32-I314 HydrophobicContact CE1-CD1 4.4Å |
| 33 | G | 96.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.9 | -40.7 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | L29 C30 L31 T36 N37 N310 | L29-G33 WeakPolarHBondContact O-CA 3.47Å; L29-G33 PolarHBondContact O-N 3.22Å; C30-G33 PolarHBondContact O-N 3.46Å; L31-G33 VanDerWaalsContact C-N 3.34Å; G33-T36 WeakPolarHBondContact CA-OG1 3.28Å; G33-T36 PolarHBondContact O-OG1 2.73Å; G33-N37 VanDerWaalsContact O-CB 3.24Å; G33-N37 WeakPolarHBondContact O-CB 3.43Å; G33-N37 PolarHBondContact O-N 3.18Å; G33-N37 PolarHBondContact O-ND2 3.16Å; G33-N310 WeakPolarHBondContact CA-OD1 3.37Å; G33-N310 PolarHBondContact N-OD1 3.36Å; G33-N310 VanDerWaalsContact N-OD1 3.16Å |
| 34 | I | 97.5 | Very high | 95.5 | Very high | 37 Ų | 37 | 43 Ų | 43 | 19% | 0.19 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -60.8 | -51.6 | 175.5 | -69.3 | 162.6 | 0 | 0 | 0 | 109.6 | C30 T36 N37 I38 M68 A69 L72 | C30-I34 WeakPolarHBondContact O-CB 3.47Å; C30-I34 WeakPolarHBondContact O-CD1 3.47Å; C30-I34 WeakPolarHBondContact O-CG1 3.32Å; C30-I34 PolarHBondContact O-N 3.36Å; I34-T36 PolarHBondContact O-N 2.88Å; I34-N37 PolarHBondContact O-N 3.04Å; I34-I38 HydrophobicContact CG2-CD1 3.74Å; I34-I38 WeakPolarHBondContact O-CB 3.26Å; I34-I38 WeakPolarHBondContact O-CD1 3.38Å; I34-I38 WeakPolarHBondContact O-CG1 3.14Å; I34-I38 PolarHBondContact O-N 2.79Å; I34-M68 HydrophobicContact CD1-CB 4.3Å; I34-M68 HydrophobicContact CG1-CB 3.64Å; I34-A69 HydrophobicContact CD1-CB 4.33Å; I34-L72 HydrophobicContact CD1-CD2 3.87Å |
| 35 | V | 96.3 | Very high | 95.5 | Very high | 85 Ų | 85 | 38.8 Ų | 38.8 | 52% | 0.515 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -60.8 | -49.3 | -178.3 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | L31 F32 N37 I38 L39 | L31-V35 WeakPolarHBondContact O-CG2 3.35Å; L31-V35 PolarHBondContact O-N 2.92Å; F32-V35 PolarHBondContact O-N 3.18Å; V35-N37 PolarHBondContact O-N 3.11Å; V35-I38 PolarHBondContact O-N 2.74Å; V35-L39 HydrophobicContact CG1-CD1 4.21Å; V35-L39 WeakPolarHBondContact O-CG 3.4Å; V35-L39 PolarHBondContact O-N 3.37Å; V35-L39 VanDerWaalsContact O-N 3.08Å |
| 36 | T | 95.4 | Very high | 95.5 | Very high | 4 Ų | 4 | 41.2 Ų | 41.2 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.2 | -36.7 | -177 | 52.9 | 0 | 0 | 0 | 0 | 113.1 | F32 G33 I34 L39 N40 F313 | F32-T36 HydrophobicContact CD1-CG2 4.29Å; F32-T36 HydrophobicContact CD2-CG2 4.09Å; F32-T36 HydrophobicContact CE1-CG2 3.87Å; F32-T36 HydrophobicContact CE2-CG2 3.66Å; F32-T36 HydrophobicContact CG-CG2 4.38Å; F32-T36 HydrophobicContact CZ-CG2 3.53Å; F32-T36 WeakPolarHBondContact O-CB 3.35Å; F32-T36 WeakPolarHBondContact O-CG2 3.45Å; F32-T36 PolarHBondContact O-N 2.93Å; F32-T36 PolarHBondContact O-OG1 2.98Å; G33-T36 WeakPolarHBondContact CA-OG1 3.28Å; G33-T36 PolarHBondContact O-OG1 2.73Å; I34-T36 PolarHBondContact O-N 2.88Å; T36-L39 PolarHBondContact O-N 3.17Å; T36-N40 PolarHBondContact O-N 3.35Å; T36-F313 HydrophobicContact CG2-CB 4.34Å; T36-F313 HydrophobicContact CG2-CD1 3.53Å; T36-F313 HydrophobicContact CG2-CD2 4.4Å; T36-F313 HydrophobicContact CG2-CE1 3.84Å; T36-F313 HydrophobicContact CG2-CG 3.85Å; T36-F313 HydrophobicContact CG2-CZ 4.41Å; T36-F313 VanDerWaalsContact O-CD2 3.28Å; T36-F313 WeakPolarHBondContact O-CD2 3.36Å |
| 37 | N | 96.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -73.1 | -33.3 | 176.2 | -80.2 | -62.8 | 0 | 0 | 0 | 113.1 | G33 I34 V35 L39 N40 F41 A61 M65 S309 | G33-N37 VanDerWaalsContact O-CB 3.24Å; G33-N37 WeakPolarHBondContact O-CB 3.43Å; G33-N37 PolarHBondContact O-N 3.18Å; G33-N37 PolarHBondContact O-ND2 3.16Å; I34-N37 PolarHBondContact O-N 3.04Å; V35-N37 PolarHBondContact O-N 3.11Å; N37-L39 VanDerWaalsContact C-N 3.33Å; N37-L39 PolarHBondContact O-N 3.48Å; N37-N40 PolarHBondContact O-N 3.44Å; N37-F41 WeakPolarHBondContact O-CB 3.36Å; N37-F41 PolarHBondContact O-N 3.18Å; N37-A61 HydrophobicContact CB-CB 4.36Å; N37-M65 HydrophobicContact CB-CB 3.82Å; N37-S309 PolarHBondContact ND2-O 2.95Å |
| 38 | I | 96.2 | Very high | 94.8 | Very high | 70 Ų | 70 | 48.7 Ų | 48.7 | 36% | 0.359 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 168.5 | -70.7 | 165.6 | 0 | 0 | 0 | 110 | I34 V35 N40 F41 I42 M65 | I34-I38 HydrophobicContact CG2-CD1 3.74Å; I34-I38 WeakPolarHBondContact O-CB 3.26Å; I34-I38 WeakPolarHBondContact O-CD1 3.38Å; I34-I38 WeakPolarHBondContact O-CG1 3.14Å; I34-I38 PolarHBondContact O-N 2.79Å; V35-I38 PolarHBondContact O-N 2.74Å; I38-N40 PolarHBondContact O-N 2.98Å; I38-F41 PolarHBondContact O-N 2.98Å; I38-I42 HydrophobicContact CG2-CD1 3.78Å; I38-I42 WeakPolarHBondContact O-CG1 3.48Å; I38-I42 PolarHBondContact O-N 3.49Å; I38-M65 HydrophobicContact CG1-SD 3.67Å |
| 39 | L | 95.3 | Very high | 94.4 | Very high | 38 Ų | 38 | 46.1 Ų | 46.1 | 20% | 0.199 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.9 | -44.7 | 178.4 | -67.7 | 171.5 | 0 | 0 | 0 | 111.8 | V35 T36 N37 F41 I42 V43 F313 F327 F331 | V35-L39 HydrophobicContact CG1-CD1 4.21Å; V35-L39 WeakPolarHBondContact O-CG 3.4Å; V35-L39 PolarHBondContact O-N 3.37Å; V35-L39 VanDerWaalsContact O-N 3.08Å; T36-L39 PolarHBondContact O-N 3.17Å; N37-L39 VanDerWaalsContact C-N 3.33Å; N37-L39 PolarHBondContact O-N 3.48Å; L39-F41 VanDerWaalsContact C-N 3.35Å; L39-F41 PolarHBondContact O-N 3.39Å; L39-I42 PolarHBondContact O-N 2.91Å; L39-V43 WeakPolarHBondContact O-CB 3.27Å; L39-V43 WeakPolarHBondContact O-CG2 3.16Å; L39-V43 PolarHBondContact O-N 2.83Å; L39-F313 HydrophobicContact CB-CD2 4.45Å; L39-F313 HydrophobicContact CB-CE2 3.9Å; L39-F313 HydrophobicContact CD1-CE2 4.22Å; L39-F313 HydrophobicContact CD1-CZ 4.32Å; L39-F327 HydrophobicContact CD1-CE2 4.23Å; L39-F327 HydrophobicContact CD2-CE2 4.37Å; L39-F331 HydrophobicContact CD2-CE1 4.05Å; L39-F331 HydrophobicContact CD2-CE2 4.03Å; L39-F331 HydrophobicContact CD2-CZ 3.71Å |
| 40 | N | 94.7 | Very high | 94 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -55.3 | -49.7 | 173.7 | -89.4 | -17.2 | 0 | 0 | 0 | 111.7 | T36 N37 I38 I42 V43 L44 A61 F313 L316 F323 | T36-N40 PolarHBondContact O-N 3.35Å; N37-N40 PolarHBondContact O-N 3.44Å; I38-N40 PolarHBondContact O-N 2.98Å; N40-I42 PolarHBondContact O-N 2.88Å; N40-V43 PolarHBondContact O-N 2.76Å; N40-L44 HydrophobicContact CB-CD1 4.41Å; N40-L44 VanDerWaalsContact O-CB 3.29Å; N40-L44 WeakPolarHBondContact O-CB 3.47Å; N40-L44 WeakPolarHBondContact O-CD1 3.37Å; N40-L44 WeakPolarHBondContact O-CG 3.3Å; N40-L44 PolarHBondContact O-N 3.09Å; N40-A61 HydrophobicContact CB-CB 3.89Å; N40-F313 WeakPolarHBondContact ND2-CA 3.34Å; N40-F313 WeakPolarHBondContact ND2-CB 3.29Å; N40-F313 PolarHBondContact ND2-N 2.96Å; N40-F313 VanDerWaalsContact OD1-CD2 3.25Å; N40-F313 WeakPolarHBondContact OD1-CD2 3.18Å; N40-L316 WeakPolarHBondContact OD1-CD1 3.3Å; N40-F323 WeakPolarHBondContact OD1-CE2 3.38Å; N40-F323 WeakPolarHBondContact OD1-CZ 3.34Å |
| 41 | F | 95.9 | Very high | 93.5 | Very high | 67 Ų | 67 | 54.4 Ų | 54.4 | 29% | 0.294 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.1 | -49 | -178.8 | -178.2 | -97.8 | 0 | 0 | 0 | 111.6 | N37 I38 L39 V43 L44 T45 A58 L62 | N37-F41 WeakPolarHBondContact O-CB 3.36Å; N37-F41 PolarHBondContact O-N 3.18Å; I38-F41 PolarHBondContact O-N 2.98Å; L39-F41 VanDerWaalsContact C-N 3.35Å; L39-F41 PolarHBondContact O-N 3.39Å; F41-V43 PolarHBondContact O-N 2.89Å; F41-L44 PolarHBondContact O-N 3.42Å; F41-T45 HydrophobicContact CD1-CG2 4.5Å; F41-T45 HydrophobicContact CD2-CG2 4.18Å; F41-T45 HydrophobicContact CE1-CG2 4.26Å; F41-T45 HydrophobicContact CE2-CG2 3.93Å; F41-T45 HydrophobicContact CG-CG2 4.46Å; F41-T45 HydrophobicContact CZ-CG2 3.97Å; F41-T45 WeakPolarHBondContact O-CB 3.48Å; F41-T45 WeakPolarHBondContact O-CG2 3.43Å; F41-T45 PolarHBondContact O-N 3.11Å; F41-T45 VanDerWaalsContact O-N 3.11Å; F41-T45 PolarHBondContact O-OG1 3.28Å; F41-A58 HydrophobicContact CD2-CB 4.23Å; F41-A58 WeakPolarHBondContact CD2-O 3.42Å; F41-L62 HydrophobicContact CD2-CB 4.03Å; F41-L62 HydrophobicContact CE2-CB 4.12Å; F41-L62 HydrophobicContact CE2-CD2 4.38Å |
| 42 | I | 95.4 | Very high | 93.2 | Very high | 66 Ų | 66 | 50.7 Ų | 50.7 | 34% | 0.338 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61 | -45.3 | 179.3 | -67.4 | 169 | 0 | 0 | 0 | 110.9 | I38 L39 N40 T45 M330 F331 | I38-I42 HydrophobicContact CG2-CD1 3.78Å; I38-I42 WeakPolarHBondContact O-CG1 3.48Å; I38-I42 PolarHBondContact O-N 3.49Å; L39-I42 PolarHBondContact O-N 2.91Å; N40-I42 PolarHBondContact O-N 2.88Å; I42-T45 PolarHBondContact O-OG1 2.71Å; I42-M330 HydrophobicContact CG2-SD 4.41Å; I42-F331 HydrophobicContact CG2-CZ 4.22Å |
| 43 | V | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.9 | -45.9 | -177.3 | 171.3 | 0 | 0 | 0 | 0 | 111.7 | L39 N40 F41 T45 R46 F323 T326 F327 M330 F331 | L39-V43 WeakPolarHBondContact O-CB 3.27Å; L39-V43 WeakPolarHBondContact O-CG2 3.16Å; L39-V43 PolarHBondContact O-N 2.83Å; N40-V43 PolarHBondContact O-N 2.76Å; F41-V43 PolarHBondContact O-N 2.89Å; V43-T45 VanDerWaalsContact C-N 3.33Å; V43-T45 PolarHBondContact O-N 3.38Å; V43-R46 PolarHBondContact O-N 3.5Å; V43-F323 HydrophobicContact CB-CD2 4.21Å; V43-F323 HydrophobicContact CB-CE2 3.62Å; V43-F323 HydrophobicContact CB-CZ 3.99Å; V43-F323 HydrophobicContact CG1-CD2 3.38Å; V43-F323 HydrophobicContact CG1-CE1 4.45Å; V43-F323 HydrophobicContact CG1-CE2 3.31Å; V43-F323 HydrophobicContact CG1-CG 4.02Å; V43-F323 HydrophobicContact CG1-CZ 3.89Å; V43-F323 HydrophobicContact CG2-CE2 4.31Å; V43-F323 HydrophobicContact CG2-CZ 4.19Å; V43-T326 HydrophobicContact CG1-CG2 3.95Å; V43-F327 HydrophobicContact CG2-CB 4.34Å; V43-F327 HydrophobicContact CG2-CD2 4.01Å; V43-M330 HydrophobicContact CB-CE 4.32Å; V43-M330 HydrophobicContact CG1-CE 4.4Å; V43-M330 HydrophobicContact CG2-CE 3.96Å; V43-F331 HydrophobicContact CG2-CE2 3.98Å |
| 44 | L | 93.2 | Very high | 92.6 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -73.4 | -24.5 | -174.8 | -67.6 | 169.8 | 0 | 0 | 0 | 113.1 | N40 F41 M49 N54 L57 A58 L316 F323 | N40-L44 HydrophobicContact CB-CD1 4.41Å; N40-L44 VanDerWaalsContact O-CB 3.29Å; N40-L44 WeakPolarHBondContact O-CB 3.47Å; N40-L44 WeakPolarHBondContact O-CD1 3.37Å; N40-L44 WeakPolarHBondContact O-CG 3.3Å; N40-L44 PolarHBondContact O-N 3.09Å; F41-L44 PolarHBondContact O-N 3.42Å; L44-M49 HydrophobicContact CD2-CE 4.41Å; L44-N54 HydrophobicContact CD2-CB 4.03Å; L44-L57 HydrophobicContact CD1-CB 3.62Å; L44-A58 HydrophobicContact CB-CB 4Å; L44-L316 HydrophobicContact CD1-CD1 4.02Å; L44-F323 HydrophobicContact CD2-CD2 4.03Å; L44-F323 HydrophobicContact CD2-CE2 4.34Å; L44-F323 HydrophobicContact CG-CD2 4.39Å; L44-F323 HydrophobicContact CG-CE2 4.21Å |
| 45 | T | 93.6 | Very high | 92.4 | Very high | 36 Ų | 36 | 47.9 Ų | 47.9 | 22% | 0.221 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -4.9 | -179.7 | 56.2 | 0 | 0 | 0 | 0 | 114.1 | F41 I42 V43 R50 A58 | F41-T45 HydrophobicContact CD1-CG2 4.5Å; F41-T45 HydrophobicContact CD2-CG2 4.18Å; F41-T45 HydrophobicContact CE1-CG2 4.26Å; F41-T45 HydrophobicContact CE2-CG2 3.93Å; F41-T45 HydrophobicContact CG-CG2 4.46Å; F41-T45 HydrophobicContact CZ-CG2 3.97Å; F41-T45 WeakPolarHBondContact O-CB 3.48Å; F41-T45 WeakPolarHBondContact O-CG2 3.43Å; F41-T45 PolarHBondContact O-N 3.11Å; F41-T45 VanDerWaalsContact O-N 3.11Å; F41-T45 PolarHBondContact O-OG1 3.28Å; I42-T45 PolarHBondContact O-OG1 2.71Å; V43-T45 VanDerWaalsContact C-N 3.33Å; V43-T45 PolarHBondContact O-N 3.38Å; T45-R50 PolarHBondContact O-NE 2.95Å; T45-R50 PolarHBondContact O-NH2 3.39Å; T45-A58 HydrophobicContact CG2-CB 3.9Å |
| 46 | R | 93.1 | Very high | 92.3 | Very high | 128 Ų | 128 | 43.9 Ų | 43.9 | 48% | 0.483 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -61.3 | 143.6 | 173.6 | -79.9 | -64.1 | -170.4 | 179.6 | -0.3 | 112.3 | V43 H48 M49 R50 M330 | V43-R46 PolarHBondContact O-N 3.5Å; R46-H48 VanDerWaalsContact C-N 3.32Å; R46-H48 PolarHBondContact O-N 3.36Å; R46-M49 HydrophobicContact CB-CG 4.48Å; R46-M49 CarbonylContact O-C 3.55Å; R46-M49 WeakPolarHBondContact O-CA 3.36Å; R46-M49 WeakPolarHBondContact O-CB 3.28Å; R46-M49 PolarHBondContact O-N 2.98Å; R46-R50 WeakPolarHBondContact O-CG 3.22Å; R46-R50 PolarHBondContact O-N 3.35Å; R46-R50 VanDerWaalsContact O-N 3.13Å; R46-M330 HydrophobicContact CG-CE 3.62Å; R46-M330 HydrophobicContact CG-SD 3.69Å; R46-M330 PolarHBondContact NE-SD 3.22Å |
| 47 | S | 88.8 | Confident | 92.2 | Very high | 94 Ų | 94 | 44.4 Ų | 44.4 | 66% | 0.657 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -50.6 | -44.8 | -171.6 | 50.2 | 0 | 0 | 0 | 0 | 114 | M49 R50 | S47-M49 VanDerWaalsContact C-N 3.29Å; S47-M49 PolarHBondContact O-N 3.36Å; S47-R50 PolarHBondContact O-N 3.25Å |
| 48 | H | 86.7 | Confident | 92.2 | Very high | 104 Ų | 104 | 44.5 Ų | 44.5 | 48% | 0.481 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -76.5 | -13.3 | 179.8 | 67 | -73.6 | 0 | 0 | 0 | 114.3 | R46 T326 | R46-H48 VanDerWaalsContact C-N 3.32Å; R46-H48 PolarHBondContact O-N 3.36Å; H48-T326 WeakPolarHBondContact CE1-CG2 3.45Å; H48-T326 WeakPolarHBondContact NE2-CG2 3.26Å; H48-T326 PolarHBondContact NE2-OG1 2.8Å |
| 49 | M | 87 | Confident | 92.2 | Very high | 4 Ų | 4 | 41.7 Ų | 41.7 | 2% | 0.02 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -95.2 | -12 | 174.4 | -66 | -64.6 | -76.5 | 0 | 0 | 112.4 | L44 R46 S47 S51 N54 Q322 F323 T326 | L44-M49 HydrophobicContact CD2-CE 4.41Å; R46-M49 HydrophobicContact CB-CG 4.48Å; R46-M49 CarbonylContact O-C 3.55Å; R46-M49 WeakPolarHBondContact O-CA 3.36Å; R46-M49 WeakPolarHBondContact O-CB 3.28Å; R46-M49 PolarHBondContact O-N 2.98Å; S47-M49 VanDerWaalsContact C-N 3.29Å; S47-M49 PolarHBondContact O-N 3.36Å; M49-S51 PolarHBondContact O-N 3.26Å; M49-N54 WeakPolarHBondContact O-CB 3.42Å; M49-N54 PolarHBondContact O-ND2 2.96Å; M49-Q322 HydrophobicContact CE-CB 4.38Å; M49-Q322 HydrophobicContact CE-CG 4.13Å; M49-Q322 HydrophobicContact SD-CB 4.35Å; M49-Q322 HydrophobicContact SD-CG 3.49Å; M49-Q322 WeakPolarHBondContact SD-CG 3.43Å; M49-Q322 PolarHBondContact SD-NE2 2.88Å; M49-Q322 VanDerWaalsContact SD-NE2 3.37Å; M49-F323 HydrophobicContact CE-CB 4.45Å; M49-T326 HydrophobicContact CG-CG2 3.87Å; M49-T326 HydrophobicContact SD-CG2 4.42Å; M49-T326 PolarHBondContact SD-OG1 3.38Å |
| 50 | R | 86.3 | Confident | 92.2 | Very high | 163 Ų | 163 | 40.1 Ų | 40.1 | 62% | 0.615 | 20% | 0.201 | S | C | * | . | trans | -64.1 | 107.3 | -175.1 | -74.4 | 178 | -174.5 | 179.5 | -3.1 | 110.9 | T45 R46 S47 T140 | T45-R50 PolarHBondContact O-NE 2.95Å; T45-R50 PolarHBondContact O-NH2 3.39Å; R46-R50 WeakPolarHBondContact O-CG 3.22Å; R46-R50 PolarHBondContact O-N 3.35Å; R46-R50 VanDerWaalsContact O-N 3.13Å; S47-R50 PolarHBondContact O-N 3.25Å; R50-T140 HydrophobicContact CB-CG2 4.48Å | ||
| 51 | S | 88.2 | Confident | 92.3 | Very high | 46 Ų | 46 | 40.1 Ų | 40.1 | 32% | 0.322 | 20% | 0.201 | S | C | . | . | trans | -141.3 | 161.8 | 170.5 | 65.8 | 0 | 0 | 0 | 0 | 108.2 | M49 S53 N54 M55 | M49-S51 PolarHBondContact O-N 3.26Å; S51-S53 VanDerWaalsContact C-N 3.26Å; S51-S53 PolarHBondContact O-N 2.98Å; S51-N54 PolarHBondContact O-N 3.46Å; S51-N54 WeakPolarHBondContact OG-CB 3.43Å; S51-N54 PolarHBondContact OG-N 2.74Å; S51-N54 PolarHBondContact OG-ND2 2.98Å; S51-M55 WeakPolarHBondContact O-CB 3.33Å; S51-M55 PolarHBondContact O-N 3.44Å | ||
| 52 | A | 88.6 | Confident | 92.4 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 13% | 0.132 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.7 | -38.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | M55 F56 F138 I143 | A52-M55 PolarHBondContact O-N 3.26Å; A52-F56 WeakPolarHBondContact O-CD2 3.28Å; A52-F56 PolarHBondContact O-N 3.42Å; A52-F138 HydrophobicContact CB-CB 4.13Å; A52-F138 WeakPolarHBondContact CB-O 3.33Å; A52-I143 HydrophobicContact CB-CD1 4.29Å; A52-I143 HydrophobicContact CB-CG1 3.76Å |
| 53 | S | 88.9 | Confident | 92.4 | Very high | 23 Ų | 23 | 37 Ų | 37 | 16% | 0.161 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | 176.8 | -59.2 | 0 | 0 | 0 | 0 | 112.3 | S51 M55 F56 L57 | S51-S53 VanDerWaalsContact C-N 3.26Å; S51-S53 PolarHBondContact O-N 2.98Å; S53-M55 VanDerWaalsContact C-N 3.28Å; S53-M55 PolarHBondContact O-N 3.36Å; S53-F56 PolarHBondContact O-N 2.92Å; S53-L57 WeakPolarHBondContact O-CG 3.25Å; S53-L57 PolarHBondContact O-N 3.49Å |
| 54 | N | 91.4 | Very high | 92.5 | Very high | 20 Ų | 20 | 37 Ų | 37 | 11% | 0.107 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.3 | -26.8 | 177.5 | -68.2 | -10.4 | 0 | 0 | 0 | 111.9 | L44 M49 S51 L57 A58 | L44-N54 HydrophobicContact CD2-CB 4.03Å; M49-N54 WeakPolarHBondContact O-CB 3.42Å; M49-N54 PolarHBondContact O-ND2 2.96Å; S51-N54 PolarHBondContact O-N 3.46Å; S51-N54 WeakPolarHBondContact OG-CB 3.43Å; S51-N54 PolarHBondContact OG-N 2.74Å; S51-N54 PolarHBondContact OG-ND2 2.98Å; N54-L57 PolarHBondContact O-N 3.36Å; N54-A58 VanDerWaalsContact O-CB 3.29Å; N54-A58 WeakPolarHBondContact O-CB 3.18Å; N54-A58 PolarHBondContact O-N 3.44Å |
| 55 | M | 94.1 | Very high | 92.6 | Very high | 37 Ų | 37 | 38.8 Ų | 38.8 | 18% | 0.182 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.4 | -42.9 | 172.5 | -175 | 57.7 | 74.6 | 0 | 0 | 111.8 | S51 A52 S53 L57 A58 I59 T140 I143 | S51-M55 WeakPolarHBondContact O-CB 3.33Å; S51-M55 PolarHBondContact O-N 3.44Å; A52-M55 PolarHBondContact O-N 3.26Å; S53-M55 VanDerWaalsContact C-N 3.28Å; S53-M55 PolarHBondContact O-N 3.36Å; M55-L57 VanDerWaalsContact C-N 3.34Å; M55-L57 PolarHBondContact O-N 3.13Å; M55-A58 PolarHBondContact O-N 3.43Å; M55-I59 HydrophobicContact CG-CD1 4.01Å; M55-I59 VanDerWaalsContact O-CG1 3.31Å; M55-I59 WeakPolarHBondContact O-CG1 3.4Å; M55-I59 PolarHBondContact O-N 2.87Å; M55-I59 HydrophobicContact SD-CD1 4.15Å; M55-I59 HydrophobicContact SD-CG1 4.16Å; M55-T140 HydrophobicContact CB-CG2 4.32Å; M55-T140 HydrophobicContact CE-CG2 4.16Å; M55-I143 HydrophobicContact CB-CB 4.45Å; M55-I143 HydrophobicContact CB-CG2 4.31Å; M55-I143 HydrophobicContact CG-CB 4.05Å; M55-I143 HydrophobicContact CG-CG2 3.91Å |
| 56 | F | 94.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 39.2 Ų | 39.2 | 0% | 0.004 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -55.4 | -51.2 | 171 | -87 | -68.3 | 0 | 0 | 0 | 111.2 | A52 S53 A58 I59 I60 L116 L119 F120 V123 I143 L146 | A52-F56 WeakPolarHBondContact O-CD2 3.28Å; A52-F56 PolarHBondContact O-N 3.42Å; S53-F56 PolarHBondContact O-N 2.92Å; F56-A58 VanDerWaalsContact C-N 3.3Å; F56-A58 PolarHBondContact O-N 3.49Å; F56-I59 PolarHBondContact O-N 3.5Å; F56-I60 VanDerWaalsContact O-CG1 3.3Å; F56-I60 WeakPolarHBondContact O-CG1 3.45Å; F56-I60 PolarHBondContact O-N 3.46Å; F56-L116 HydrophobicContact CD1-CD2 4.18Å; F56-L116 HydrophobicContact CE1-CD2 4.16Å; F56-L119 HydrophobicContact CE1-CB 4.2Å; F56-L119 HydrophobicContact CZ-CB 4.38Å; F56-F120 HydrophobicContact CB-CB 4.12Å; F56-F120 HydrophobicContact CB-CD1 4.16Å; F56-F120 HydrophobicContact CB-CD2 3.85Å; F56-F120 HydrophobicContact CB-CE1 4.49Å; F56-F120 HydrophobicContact CB-CE2 4.23Å; F56-F120 HydrophobicContact CB-CG 3.8Å; F56-F120 HydrophobicContact CB-CZ 4.48Å; F56-F120 HydrophobicContact CD1-CB 3.88Å; F56-F120 HydrophobicContact CD1-CG 4.44Å; F56-F120 HydrophobicContact CD2-CB 4.06Å; F56-F120 AromaticContact CD2-CD2 3.46Å; F56-F120 HydrophobicContact CD2-CD2 3.46Å; F56-F120 VanDerWaalsContact CD2-CD2 3.46Å; F56-F120 HydrophobicContact CD2-CE2 4.14Å; F56-F120 AromaticContact CD2-CG 3.99Å; F56-F120 HydrophobicContact CD2-CG 3.99Å; F56-F120 HydrophobicContact CE1-CB 4.23Å; F56-F120 HydrophobicContact CE2-CB 4.37Å; F56-F120 HydrophobicContact CE2-CD2 4.1Å; F56-F120 HydrophobicContact CG-CB 3.78Å; F56-F120 AromaticContact CG-CD2 3.8Å; F56-F120 HydrophobicContact CG-CD2 3.8Å; F56-F120 AromaticContact CG-CG 3.86Å; F56-F120 HydrophobicContact CG-CG 3.86Å; F56-F120 HydrophobicContact CZ-CB 4.45Å; F56-V123 HydrophobicContact CE2-CB 4.12Å; F56-V123 HydrophobicContact CE2-CG1 4.22Å; F56-V123 HydrophobicContact CE2-CG2 4.11Å; F56-V123 HydrophobicContact CZ-CG2 4.08Å; F56-I143 HydrophobicContact CD1-CG2 3.97Å; F56-I143 HydrophobicContact CD2-CD1 4.06Å; F56-I143 HydrophobicContact CD2-CG1 4.31Å; F56-I143 HydrophobicContact CD2-CG2 4.08Å; F56-I143 HydrophobicContact CE1-CG2 4.03Å; F56-I143 HydrophobicContact CE2-CD1 3.33Å; F56-I143 HydrophobicContact CE2-CG1 4.06Å; F56-I143 HydrophobicContact CE2-CG2 4.17Å; F56-I143 HydrophobicContact CG-CG2 3.99Å; F56-I143 HydrophobicContact CZ-CD1 3.62Å; F56-I143 HydrophobicContact CZ-CG2 4.15Å; F56-L146 HydrophobicContact CE1-CD2 4.38Å; F56-L146 HydrophobicContact CZ-CD2 4.11Å |
| 57 | L | 93.4 | Very high | 92.9 | Very high | 15 Ų | 15 | 33.3 Ų | 33.3 | 8% | 0.079 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -62.3 | -36.5 | -180 | -69.5 | 170.9 | 0 | 0 | 0 | 112.6 | L44 S53 N54 M55 A61 F120 I264 L316 | L44-L57 HydrophobicContact CD1-CB 3.62Å; S53-L57 WeakPolarHBondContact O-CG 3.25Å; S53-L57 PolarHBondContact O-N 3.49Å; N54-L57 PolarHBondContact O-N 3.36Å; M55-L57 VanDerWaalsContact C-N 3.34Å; M55-L57 PolarHBondContact O-N 3.13Å; L57-A61 WeakPolarHBondContact O-CB 3.44Å; L57-A61 PolarHBondContact O-N 3.24Å; L57-F120 HydrophobicContact CD1-CE1 4.38Å; L57-F120 HydrophobicContact CD1-CZ 4.33Å; L57-F120 HydrophobicContact CD2-CD1 4.5Å; L57-F120 HydrophobicContact CD2-CE1 3.72Å; L57-F120 HydrophobicContact CD2-CZ 4.45Å; L57-F120 HydrophobicContact CG-CE1 3.79Å; L57-F120 HydrophobicContact CG-CZ 4.06Å; L57-I264 HydrophobicContact CD2-CD1 4.43Å; L57-L316 HydrophobicContact CD1-CD2 4.19Å |
| 58 | A | 95.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.008 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.1 | -44.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | F41 L44 T45 N54 M55 F56 I60 A61 L62 | F41-A58 HydrophobicContact CD2-CB 4.23Å; F41-A58 WeakPolarHBondContact CD2-O 3.42Å; L44-A58 HydrophobicContact CB-CB 4Å; T45-A58 HydrophobicContact CG2-CB 3.9Å; N54-A58 VanDerWaalsContact O-CB 3.29Å; N54-A58 WeakPolarHBondContact O-CB 3.18Å; N54-A58 PolarHBondContact O-N 3.44Å; M55-A58 PolarHBondContact O-N 3.43Å; F56-A58 VanDerWaalsContact C-N 3.3Å; F56-A58 PolarHBondContact O-N 3.49Å; A58-I60 VanDerWaalsContact C-N 3.35Å; A58-A61 PolarHBondContact O-N 3.36Å; A58-L62 PolarHBondContact O-N 2.85Å |
| 59 | I | 97 | Very high | 93.7 | Very high | 11 Ų | 11 | 25.9 Ų | 25.9 | 6% | 0.056 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64.8 | -42.1 | 177.3 | -64 | 169.3 | 0 | 0 | 0 | 110.2 | M55 F56 A61 L62 I63 L116 I143 F147 | M55-I59 HydrophobicContact CG-CD1 4.01Å; M55-I59 VanDerWaalsContact O-CG1 3.31Å; M55-I59 WeakPolarHBondContact O-CG1 3.4Å; M55-I59 PolarHBondContact O-N 2.87Å; M55-I59 HydrophobicContact SD-CD1 4.15Å; M55-I59 HydrophobicContact SD-CG1 4.16Å; F56-I59 PolarHBondContact O-N 3.5Å; I59-A61 VanDerWaalsContact C-N 3.34Å; I59-A61 PolarHBondContact O-N 2.62Å; I59-L62 WeakPolarHBondContact O-CB 3.36Å; I59-L62 PolarHBondContact O-N 3.38Å; I59-L62 VanDerWaalsContact O-N 3.17Å; I59-I63 HydrophobicContact CG2-CG1 4.42Å; I59-I63 WeakPolarHBondContact O-CG1 3.21Å; I59-I63 PolarHBondContact O-N 3.18Å; I59-L116 HydrophobicContact CB-CD1 4.42Å; I59-L116 HydrophobicContact CG2-CD1 3.54Å; I59-I143 HydrophobicContact CD1-CG2 4.14Å; I59-F147 HydrophobicContact CD1-CB 3.96Å; I59-F147 HydrophobicContact CD1-CG 4.23Å; I59-F147 HydrophobicContact CG2-CB 4.4Å; I59-F147 HydrophobicContact CG2-CD1 4.28Å; I59-F147 HydrophobicContact CG2-CD2 3.46Å; I59-F147 VanDerWaalsContact CG2-CD2 3.46Å; I59-F147 HydrophobicContact CG2-CE1 4.46Å; I59-F147 HydrophobicContact CG2-CE2 3.65Å; I59-F147 HydrophobicContact CG2-CG 3.78Å; I59-F147 HydrophobicContact CG2-CZ 4.16Å |
| 60 | I | 96 | Very high | 94.2 | Very high | 5 Ų | 5 | 27.5 Ų | 27.5 | 3% | 0.026 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.3 | -47 | 174.4 | -70.1 | 167 | 0 | 0 | 0 | 110.3 | F56 A58 L62 I63 D64 L116 | F56-I60 VanDerWaalsContact O-CG1 3.3Å; F56-I60 WeakPolarHBondContact O-CG1 3.45Å; F56-I60 PolarHBondContact O-N 3.46Å; A58-I60 VanDerWaalsContact C-N 3.35Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 3.06Å; I60-I63 PolarHBondContact O-N 2.97Å; I60-I63 VanDerWaalsContact O-N 3.15Å; I60-D64 WeakPolarHBondContact CG2-OD2 3.26Å; I60-D64 WeakPolarHBondContact O-CB 3.48Å; I60-D64 VanDerWaalsContact O-CG 3.29Å; I60-D64 PolarHBondContact O-N 3.47Å; I60-L116 HydrophobicContact CD1-CB 4.25Å; I60-L116 HydrophobicContact CG1-CB 3.93Å; I60-L116 HydrophobicContact CG1-CD1 4.24Å |
| 61 | A | 96.4 | Very high | 94.6 | Very high | 2 Ų | 2 | 20.1 Ų | 20.1 | 2% | 0.017 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60.1 | -37.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | N37 N40 L57 A58 I59 M65 | N37-A61 HydrophobicContact CB-CB 4.36Å; N40-A61 HydrophobicContact CB-CB 3.89Å; L57-A61 WeakPolarHBondContact O-CB 3.44Å; L57-A61 PolarHBondContact O-N 3.24Å; A58-A61 PolarHBondContact O-N 3.36Å; I59-A61 VanDerWaalsContact C-N 3.34Å; I59-A61 PolarHBondContact O-N 2.62Å; A61-M65 WeakPolarHBondContact O-CG 3.46Å; A61-M65 PolarHBondContact O-N 2.91Å |
| 62 | L | 96.9 | Very high | 94.9 | Very high | 57 Ų | 57 | 19.7 Ų | 19.7 | 30% | 0.298 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -63.3 | -45.4 | 174.2 | 167.8 | 64.4 | 0 | 0 | 0 | 111.8 | F41 A58 I59 I60 M65 S66 | F41-L62 HydrophobicContact CD2-CB 4.03Å; F41-L62 HydrophobicContact CE2-CB 4.12Å; F41-L62 HydrophobicContact CE2-CD2 4.38Å; A58-L62 PolarHBondContact O-N 2.85Å; I59-L62 WeakPolarHBondContact O-CB 3.36Å; I59-L62 PolarHBondContact O-N 3.38Å; I59-L62 VanDerWaalsContact O-N 3.17Å; I60-L62 VanDerWaalsContact C-N 3.29Å; I60-L62 PolarHBondContact O-N 3.06Å; L62-M65 HydrophobicContact CB-CE 4.35Å; L62-M65 HydrophobicContact CD1-CE 3.18Å; L62-M65 HydrophobicContact CG-CE 4.32Å; L62-M65 WeakPolarHBondContact O-CG 3.38Å; L62-S66 PolarHBondContact O-N 3.07Å; L62-S66 VanDerWaalsContact O-N 3.17Å; L62-S66 PolarHBondContact O-OG 3.24Å |
| 63 | I | 97.3 | Very high | 95.2 | Very high | 10 Ų | 10 | 22 Ų | 22 | 5% | 0.051 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.2 | -45.1 | 178.6 | -63.8 | -61.6 | 0 | 0 | 0 | 111 | I59 I60 M65 S66 L67 L109 I112 F147 | I59-I63 HydrophobicContact CG2-CG1 4.42Å; I59-I63 WeakPolarHBondContact O-CG1 3.21Å; I59-I63 PolarHBondContact O-N 3.18Å; I60-I63 PolarHBondContact O-N 2.97Å; I60-I63 VanDerWaalsContact O-N 3.15Å; I63-M65 PolarHBondContact O-N 3.06Å; I63-S66 PolarHBondContact O-N 3.44Å; I63-L67 WeakPolarHBondContact O-CB 3.48Å; I63-L67 PolarHBondContact O-N 3.25Å; I63-L109 HydrophobicContact CD1-CD2 3.91Å; I63-L109 HydrophobicContact CG2-CB 4.09Å; I63-L109 HydrophobicContact CG2-CD2 4.09Å; I63-L109 VanDerWaalsContact CG2-O 3.28Å; I63-L109 WeakPolarHBondContact CG2-O 3.32Å; I63-I112 HydrophobicContact CD1-CG2 4.26Å; I63-I112 HydrophobicContact CG1-CG2 4.23Å; I63-F147 HydrophobicContact CD1-CE2 3.9Å; I63-F147 HydrophobicContact CD1-CZ 4.04Å; I63-F147 HydrophobicContact CG1-CE2 4.21Å |
| 64 | D | 96.1 | Very high | 95.4 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.005 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.6 | -44.3 | 178.6 | -73.6 | -12 | 0 | 0 | 0 | 110.8 | I60 S66 L67 M68 S113 S309 N312 | I60-D64 WeakPolarHBondContact CG2-OD2 3.26Å; I60-D64 WeakPolarHBondContact O-CB 3.48Å; I60-D64 VanDerWaalsContact O-CG 3.29Å; I60-D64 PolarHBondContact O-N 3.47Å; D64-S66 PolarHBondContact O-N 3.13Å; D64-L67 WeakPolarHBondContact O-CB 3.5Å; D64-L67 PolarHBondContact O-N 3.33Å; D64-M68 VanDerWaalsContact O-CG 3.31Å; D64-M68 WeakPolarHBondContact O-CG 3.22Å; D64-M68 PolarHBondContact O-N 3.22Å; D64-S113 PolarHBondContact OD1-OG 2.97Å; D64-S113 VanDerWaalsContact OD1-OG 3.11Å; D64-S309 PolarHBondContact OD1-OG 2.82Å; D64-N312 PolarHBondContact OD2-ND2 3.43Å |
| 65 | M | 95.6 | Very high | 95.4 | Very high | 40 Ų | 40 | 22.1 Ų | 22.1 | 20% | 0.197 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.4 | -37.2 | 176.8 | 70.2 | 174.6 | -175.6 | 0 | 0 | 113 | N37 I38 A61 L62 I63 L67 M68 A69 | N37-M65 HydrophobicContact CB-CB 3.82Å; I38-M65 HydrophobicContact CG1-SD 3.67Å; A61-M65 WeakPolarHBondContact O-CG 3.46Å; A61-M65 PolarHBondContact O-N 2.91Å; L62-M65 HydrophobicContact CB-CE 4.35Å; L62-M65 HydrophobicContact CD1-CE 3.18Å; L62-M65 HydrophobicContact CG-CE 4.32Å; L62-M65 WeakPolarHBondContact O-CG 3.38Å; I63-M65 PolarHBondContact O-N 3.06Å; M65-L67 VanDerWaalsContact C-N 3.3Å; M65-L67 PolarHBondContact O-N 2.92Å; M65-M68 PolarHBondContact O-N 3.34Å; M65-A69 WeakPolarHBondContact O-CB 3.41Å; M65-A69 PolarHBondContact O-N 3.34Å |
| 66 | S | 96.6 | Very high | 95.2 | Very high | 46 Ų | 46 | 22.2 Ų | 22.2 | 32% | 0.322 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -64.5 | -37.6 | 174.3 | -65.8 | 0 | 0 | 0 | 0 | 111.7 | L62 I63 D64 A69 L70 | L62-S66 PolarHBondContact O-N 3.07Å; L62-S66 VanDerWaalsContact O-N 3.17Å; L62-S66 PolarHBondContact O-OG 3.24Å; I63-S66 PolarHBondContact O-N 3.44Å; D64-S66 PolarHBondContact O-N 3.13Å; S66-A69 PolarHBondContact O-N 2.97Å; S66-L70 WeakPolarHBondContact O-CG 3.49Å; S66-L70 PolarHBondContact O-N 3.05Å |
| 67 | L | 96.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 22.2 Ų | 22.2 | 2% | 0.016 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -65.8 | -49.5 | 176.3 | -161.8 | 147.2 | 0 | 0 | 0 | 111.6 | I63 D64 M65 A69 L70 Y71 L109 H110 | I63-L67 WeakPolarHBondContact O-CB 3.48Å; I63-L67 PolarHBondContact O-N 3.25Å; D64-L67 WeakPolarHBondContact O-CB 3.5Å; D64-L67 PolarHBondContact O-N 3.33Å; M65-L67 VanDerWaalsContact C-N 3.3Å; M65-L67 PolarHBondContact O-N 2.92Å; L67-A69 VanDerWaalsContact C-N 3.27Å; L67-A69 PolarHBondContact O-N 3.2Å; L67-L70 PolarHBondContact O-N 3.29Å; L67-Y71 WeakPolarHBondContact O-CB 3.37Å; L67-Y71 PolarHBondContact O-N 3.41Å; L67-L109 HydrophobicContact CD1-CB 4.02Å; L67-H110 HydrophobicContact CD1-CB 4.25Å; L67-H110 VanDerWaalsContact CD1-CD2 3.43Å; L67-H110 WeakPolarHBondContact CD1-CD2 3.33Å; L67-H110 WeakPolarHBondContact CD1-CE1 3.35Å; L67-H110 WeakPolarHBondContact CD1-NE2 3.15Å |
| 68 | M | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -59 | -39.5 | 176.3 | -61.7 | -56.5 | 95.3 | 0 | 0 | 111.4 | C30 I34 D64 M65 Y71 L72 L306 S309 | C30-M68 HydrophobicContact CB-CB 4.39Å; I34-M68 HydrophobicContact CD1-CB 4.3Å; I34-M68 HydrophobicContact CG1-CB 3.64Å; D64-M68 VanDerWaalsContact O-CG 3.31Å; D64-M68 WeakPolarHBondContact O-CG 3.22Å; D64-M68 PolarHBondContact O-N 3.22Å; M65-M68 PolarHBondContact O-N 3.34Å; M68-Y71 PolarHBondContact O-N 3.29Å; M68-L72 VanDerWaalsContact O-CB 3.24Å; M68-L72 WeakPolarHBondContact O-CB 3.1Å; M68-L72 PolarHBondContact O-N 3.28Å; M68-L306 HydrophobicContact CE-CD2 3.29Å; M68-L306 HydrophobicContact CE-CG 4.46Å; M68-L306 HydrophobicContact SD-CB 4.38Å; M68-L306 HydrophobicContact SD-CD2 3.44Å; M68-L306 WeakPolarHBondContact SD-CD2 3.33Å; M68-L306 HydrophobicContact SD-CG 4.47Å; M68-S309 VanDerWaalsContact CE-CB 3.44Å; M68-S309 WeakPolarHBondContact CE-OG 3.25Å |
| 69 | A | 96.7 | Very high | 93.7 | Very high | 42 Ų | 42 | 24.1 Ų | 24.1 | 35% | 0.347 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -65.3 | -45.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | I34 M65 S66 L67 Y71 L72 V73 | I34-A69 HydrophobicContact CD1-CB 4.33Å; M65-A69 WeakPolarHBondContact O-CB 3.41Å; M65-A69 PolarHBondContact O-N 3.34Å; S66-A69 PolarHBondContact O-N 2.97Å; L67-A69 VanDerWaalsContact C-N 3.27Å; L67-A69 PolarHBondContact O-N 3.2Å; A69-Y71 VanDerWaalsContact C-N 3.35Å; A69-L72 PolarHBondContact O-N 3.07Å; A69-V73 WeakPolarHBondContact O-CG2 3.34Å; A69-V73 PolarHBondContact O-N 2.84Å |
| 70 | L | 96.1 | Very high | 92.8 | Very high | 39 Ų | 39 | 26.5 Ų | 26.5 | 20% | 0.204 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.5 | -39.9 | 176 | -76.5 | 170.6 | 0 | 0 | 0 | 112.1 | S66 L67 Y74 L101 H102 F105 L109 | S66-L70 WeakPolarHBondContact O-CG 3.49Å; S66-L70 PolarHBondContact O-N 3.05Å; L67-L70 PolarHBondContact O-N 3.29Å; L70-Y74 PolarHBondContact O-N 3.16Å; L70-L101 HydrophobicContact CD2-CD2 4.35Å; L70-H102 PolarHBondContact O-ND1 3.11Å; L70-F105 HydrophobicContact CD1-CB 3.91Å; L70-L109 HydrophobicContact CD1-CD1 3.55Å |
| 71 | Y | 95.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 30.8 Ų | 30.8 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.8 | -37 | 178.6 | -160 | -96.8 | 0 | 0 | 0 | 112.3 | H22 C26 L67 M68 A69 V73 Y74 I75 H102 D302 L306 | H22-Y71 PolarHBondContact NE2-OH 3.18Å; C26-Y71 HydrophobicContact CB-CE1 3.94Å; L67-Y71 WeakPolarHBondContact O-CB 3.37Å; L67-Y71 PolarHBondContact O-N 3.41Å; M68-Y71 PolarHBondContact O-N 3.29Å; A69-Y71 VanDerWaalsContact C-N 3.35Å; Y71-V73 PolarHBondContact O-N 3.06Å; Y71-Y74 HydrophobicContact CD2-CD1 4.15Å; Y71-Y74 AromaticContact CE2-CD1 3.96Å; Y71-Y74 HydrophobicContact CE2-CD1 3.96Å; Y71-Y74 HydrophobicContact CE2-CE1 4.16Å; Y71-Y74 WeakPolarHBondContact O-CB 3.48Å; Y71-Y74 PolarHBondContact O-N 3.44Å; Y71-I75 HydrophobicContact CD1-CD1 4.42Å; Y71-I75 HydrophobicContact CE1-CD1 3.6Å; Y71-I75 PolarHBondContact O-N 3.48Å; Y71-H102 AromaticContact CD2-CE1 3.69Å; Y71-H102 AromaticContact CD2-NE2 3.84Å; Y71-D302 HydrophobicContact CE2-CB 3.98Å; Y71-D302 VanDerWaalsContact CE2-OD2 3.32Å; Y71-D302 WeakPolarHBondContact CE2-OD2 3.28Å; Y71-D302 WeakPolarHBondContact OH-CB 3.4Å; Y71-D302 PolarHBondContact OH-OD2 3Å; Y71-D302 VanDerWaalsContact OH-OD2 3.09Å; Y71-L306 HydrophobicContact CD1-CD1 3.93Å; Y71-L306 HydrophobicContact CD1-CD2 3.92Å; Y71-L306 HydrophobicContact CD1-CG 4.44Å; Y71-L306 HydrophobicContact CE1-CD1 3.79Å; Y71-L306 HydrophobicContact CE1-CD2 4.42Å; Y71-L306 HydrophobicContact CE1-CG 4.48Å; Y71-L306 HydrophobicContact CG-CD2 4.21Å |
| 72 | L | 95.6 | Very high | 90.4 | Very high | 36 Ų | 36 | 33 Ų | 33 | 19% | 0.188 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.1 | -44 | 175.6 | -178.4 | 61.9 | 0 | 0 | 0 | 112 | I27 C30 L31 I34 M68 A69 A76 | I27-L72 HydrophobicContact CB-CD1 4.44Å; I27-L72 HydrophobicContact CG1-CD1 4.18Å; I27-L72 HydrophobicContact CG2-CD1 4.18Å; C30-L72 HydrophobicContact CB-CB 3.98Å; C30-L72 HydrophobicContact CB-CD1 4.07Å; C30-L72 HydrophobicContact CB-CG 4.49Å; L31-L72 HydrophobicContact CD2-CD1 4.43Å; L31-L72 HydrophobicContact CD2-CD2 3.74Å; L31-L72 HydrophobicContact CG-CD1 4.44Å; L31-L72 HydrophobicContact CG-CD2 4.5Å; I34-L72 HydrophobicContact CD1-CD2 3.87Å; M68-L72 VanDerWaalsContact O-CB 3.24Å; M68-L72 WeakPolarHBondContact O-CB 3.1Å; M68-L72 PolarHBondContact O-N 3.28Å; A69-L72 PolarHBondContact O-N 3.07Å; L72-A76 VanDerWaalsContact O-CB 3.22Å; L72-A76 WeakPolarHBondContact O-CB 3.5Å; L72-A76 PolarHBondContact O-N 3.11Å |
| 73 | V | 94.2 | Very high | 88.6 | Confident | 66 Ų | 66 | 39.2 Ų | 39.2 | 40% | 0.4 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -66.7 | -40.8 | 177.6 | 178.5 | 0 | 0 | 0 | 0 | 110.7 | A69 Y71 G77 W95 F98 | A69-V73 WeakPolarHBondContact O-CG2 3.34Å; A69-V73 PolarHBondContact O-N 2.84Å; Y71-V73 PolarHBondContact O-N 3.06Å; V73-G77 PolarHBondContact O-N 3.3Å; V73-G77 VanDerWaalsContact O-N 3.08Å; V73-W95 HydrophobicContact CG1-CH2 4.4Å; V73-W95 HydrophobicContact CG1-CZ3 4.17Å; V73-F98 HydrophobicContact CB-CE1 4.37Å; V73-F98 HydrophobicContact CB-CE2 4.31Å; V73-F98 HydrophobicContact CB-CZ 3.67Å; V73-F98 HydrophobicContact CG1-CE1 3.86Å; V73-F98 HydrophobicContact CG1-CE2 3.79Å; V73-F98 HydrophobicContact CG1-CZ 3.37Å |
| 74 | Y | 92.5 | Very high | 86.8 | Confident | 45 Ų | 45 | 42.6 Ų | 42.6 | 18% | 0.176 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.1 | -54 | 175.2 | 163.7 | -110 | 0 | 0 | 0 | 112.1 | L70 Y71 A76 G77 F78 L99 H102 | L70-Y74 PolarHBondContact O-N 3.16Å; Y71-Y74 HydrophobicContact CD2-CD1 4.15Å; Y71-Y74 AromaticContact CE2-CD1 3.96Å; Y71-Y74 HydrophobicContact CE2-CD1 3.96Å; Y71-Y74 HydrophobicContact CE2-CE1 4.16Å; Y71-Y74 WeakPolarHBondContact O-CB 3.48Å; Y71-Y74 PolarHBondContact O-N 3.44Å; Y74-A76 PolarHBondContact O-N 2.8Å; Y74-G77 PolarHBondContact O-N 3.41Å; Y74-F78 HydrophobicContact CD2-CB 4.08Å; Y74-F78 AromaticContact CD2-CD2 3.68Å; Y74-F78 HydrophobicContact CD2-CD2 3.68Å; Y74-F78 HydrophobicContact CD2-CG 4.11Å; Y74-F78 HydrophobicContact CE2-CB 3.79Å; Y74-F78 HydrophobicContact CE2-CD2 4.06Å; Y74-F78 HydrophobicContact CE2-CG 4.01Å; Y74-F78 WeakPolarHBondContact O-CB 3.37Å; Y74-F78 PolarHBondContact O-N 3.04Å; Y74-L99 HydrophobicContact CD2-CD1 3.67Å; Y74-L99 HydrophobicContact CE2-CD1 3.41Å; Y74-L99 VanDerWaalsContact CE2-CD1 3.41Å; Y74-H102 AromaticContact CD1-NE2 3.82Å; Y74-H102 AromaticContact CG-CD2 3.85Å; Y74-H102 AromaticContact CG-NE2 3.83Å |
| 75 | I | 91.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -70.1 | -36 | -173.8 | -155.5 | 139.5 | 0 | 0 | 0 | 112.3 | C26 I27 Y71 G77 V79 I80 | C26-I75 HydrophobicContact CB-CD1 3.39Å; I27-I75 HydrophobicContact CD1-CG2 4.22Å; I27-I75 HydrophobicContact CG1-CG2 3.51Å; Y71-I75 HydrophobicContact CD1-CD1 4.42Å; Y71-I75 HydrophobicContact CE1-CD1 3.6Å; Y71-I75 PolarHBondContact O-N 3.48Å; I75-G77 VanDerWaalsContact C-N 3.34Å; I75-V79 HydrophobicContact CD1-CG2 4.45Å; I75-V79 HydrophobicContact CG1-CB 3.84Å; I75-V79 HydrophobicContact CG1-CG1 4.38Å; I75-V79 HydrophobicContact CG1-CG2 3.81Å; I75-V79 WeakPolarHBondContact O-CB 2.97Å; I75-V79 PolarHBondContact O-N 3.48Å; I75-I80 PolarHBondContact O-N 3.16Å |
| 76 | A | 89.4 | Confident | 83.6 | Confident | 38 Ų | 38 | 48.1 Ų | 48.1 | 31% | 0.314 | 26% | 0.262 | S | S | . | . | I | π-helix | trans | -63.9 | -41.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L72 Y74 I81 | L72-A76 VanDerWaalsContact O-CB 3.22Å; L72-A76 WeakPolarHBondContact O-CB 3.5Å; L72-A76 PolarHBondContact O-N 3.11Å; Y74-A76 PolarHBondContact O-N 2.8Å; A76-I81 WeakPolarHBondContact O-CD1 3.49Å; A76-I81 VanDerWaalsContact O-CG1 3.25Å; A76-I81 WeakPolarHBondContact O-CG1 3.41Å |
| 77 | G | 86.7 | Confident | 81.9 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 2% | 0.021 | 27% | 0.269 | C | S | . | . | I | π-helix | trans | -73.4 | -51.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | V73 Y74 I75 V90 | V73-G77 PolarHBondContact O-N 3.3Å; V73-G77 VanDerWaalsContact O-N 3.08Å; Y74-G77 PolarHBondContact O-N 3.41Å; I75-G77 VanDerWaalsContact C-N 3.34Å; G77-V90 WeakPolarHBondContact O-CG1 3.33Å; G77-V90 VanDerWaalsContact O-CG2 3.32Å; G77-V90 WeakPolarHBondContact O-CG2 3.49Å |
| 78 | F | 84.9 | Confident | 80.3 | Confident | 15 Ų | 15 | 55.6 Ų | 55.6 | 7% | 0.066 | 29% | 0.291 | C | S | . | . | I | π-helix | trans | -97.1 | -20.5 | -166.7 | -75.4 | -85.2 | 0 | 0 | 0 | 115.3 | Y74 E82 V90 W95 F98 L99 | Y74-F78 HydrophobicContact CD2-CB 4.08Å; Y74-F78 AromaticContact CD2-CD2 3.68Å; Y74-F78 HydrophobicContact CD2-CD2 3.68Å; Y74-F78 HydrophobicContact CD2-CG 4.11Å; Y74-F78 HydrophobicContact CE2-CB 3.79Å; Y74-F78 HydrophobicContact CE2-CD2 4.06Å; Y74-F78 HydrophobicContact CE2-CG 4.01Å; Y74-F78 WeakPolarHBondContact O-CB 3.37Å; Y74-F78 PolarHBondContact O-N 3.04Å; F78-E82 WeakPolarHBondContact O-CB 3.31Å; F78-V90 HydrophobicContact CB-CG1 4.49Å; F78-V90 HydrophobicContact CD1-CG1 3.55Å; F78-V90 HydrophobicContact CE1-CG1 3.78Å; F78-V90 HydrophobicContact CG-CG1 3.99Å; F78-V90 HydrophobicContact CZ-CG1 4.38Å; F78-W95 AromaticContact CE2-CE3 3.96Å; F78-W95 HydrophobicContact CE2-CE3 3.96Å; F78-W95 HydrophobicContact CZ-CB 4Å; F78-W95 WeakPolarHBondContact CZ-O 3.43Å; F78-F98 HydrophobicContact CE2-CD1 4.13Å; F78-L99 HydrophobicContact CD2-CD1 4.49Å; F78-L99 HydrophobicContact CE1-CB 4.41Å; F78-L99 HydrophobicContact CE1-CD2 4.17Å; F78-L99 HydrophobicContact CE2-CB 4.07Å; F78-L99 HydrophobicContact CE2-CD1 4.41Å; F78-L99 HydrophobicContact CZ-CB 3.78Å; F78-L99 HydrophobicContact CZ-CD2 4.36Å; F78-L99 HydrophobicContact CZ-CG 4.46Å |
| 79 | V | 81 | Confident | 78.6 | Confident | 41 Ų | 41 | 59.4 Ų | 59.4 | 25% | 0.248 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -107.4 | -43.4 | -176.8 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | I75 | I75-V79 HydrophobicContact CD1-CG2 4.45Å; I75-V79 HydrophobicContact CG1-CB 3.84Å; I75-V79 HydrophobicContact CG1-CG1 4.38Å; I75-V79 HydrophobicContact CG1-CG2 3.81Å; I75-V79 WeakPolarHBondContact O-CB 2.97Å; I75-V79 PolarHBondContact O-N 3.48Å |
| 80 | I | 78.1 | Confident | 77.1 | Confident | 60 Ų | 60 | 57.7 Ų | 57.7 | 31% | 0.308 | 30% | 0.3 | S | S | . | . | I | π-helix | trans | -85 | -42.6 | -176.4 | -57.4 | -57.9 | 0 | 0 | 0 | 112.7 | I27 I75 E82 | I27-I80 HydrophobicContact CD1-CD1 4.16Å; I27-I80 HydrophobicContact CD1-CG1 3.6Å; I75-I80 PolarHBondContact O-N 3.16Å; I80-E82 VanDerWaalsContact C-N 3.29Å; I80-E82 PolarHBondContact O-N 3.19Å |
| 81 | I | 75.2 | Confident | 76.2 | Confident | 95 Ų | 95 | 57.2 Ų | 57.2 | 49% | 0.487 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -78.1 | -18 | -176.1 | -63.3 | 168.9 | 0 | 0 | 0 | 111.5 | A76 E83 V90 | A76-I81 WeakPolarHBondContact O-CD1 3.49Å; A76-I81 VanDerWaalsContact O-CG1 3.25Å; A76-I81 WeakPolarHBondContact O-CG1 3.41Å; I81-E83 PolarHBondContact O-N 2.82Å; I81-E83 VanDerWaalsContact O-N 3.12Å; I81-V90 HydrophobicContact CB-CG2 3.95Å; I81-V90 HydrophobicContact CG2-CG2 3.56Å |
| 82 | E | 67 | Low | 75.7 | Confident | 48 Ų | 48 | 59 Ų | 59 | 22% | 0.224 | 31% | 0.31 | C | S | . | . | G | 310 helix | trans | -78.9 | 15.5 | -174.8 | -147.5 | -170.6 | 147.1 | 0 | 0 | 115.2 | F78 I80 D84 H85 H91 | F78-E82 WeakPolarHBondContact O-CB 3.31Å; I80-E82 VanDerWaalsContact C-N 3.29Å; I80-E82 PolarHBondContact O-N 3.19Å; E82-D84 PolarHBondContact O-N 3.24Å; E82-H85 IonicContact OE1-ND1 2.68Å; E82-H91 IonicContact OE1-CD2 2.75Å; E82-H91 IonicContact OE1-CE1 3.88Å; E82-H91 IonicContact OE1-NE2 2.53Å; E82-H91 PolarHBondContact OE1-NE2 3.38Å; E82-H91 IonicContact OE2-CE1 3.11Å; E82-H91 IonicContact OE2-NE2 3.91Å; E82-H91 PolarHBondContact OE2-NE2 3.47Å; E82-H91 VanDerWaalsContact OE2-NE2 3.11Å |
| 83 | E | 58.2 | Low | 75.4 | Confident | 188 Ų | 188 | 63.1 Ų | 63.1 | 88% | 0.879 | 32% | 0.324 | S | S | * | . | G | 310 helix | trans | -57.7 | -22.3 | 178.3 | -94.7 | -176.6 | 163.5 | 0 | 0 | 113.8 | I81 | I81-E83 PolarHBondContact O-N 2.82Å; I81-E83 VanDerWaalsContact O-N 3.12Å |
| 84 | D | 60.4 | Low | 75.2 | Confident | 82 Ų | 82 | 62.2 Ų | 62.2 | 44% | 0.439 | 33% | 0.328 | S | S | . | . | trans | -111.4 | 97.4 | 176.3 | -165.7 | -6.4 | 0 | 0 | 0 | 111.9 | E82 C86 Q87 | E82-D84 PolarHBondContact O-N 3.24Å; D84-C86 PolarHBondContact O-N 3.37Å; D84-C86 PolarHBondContact OD1-N 2.94Å; D84-Q87 HydrophobicContact CB-CB 4.43Å; D84-Q87 HydrophobicContact CB-CG 4.06Å; D84-Q87 PolarHBondContact O-N 3.24Å; D84-Q87 PolarHBondContact OD2-NE2 2.95Å | ||
| 85 | H | 59.3 | Low | 75.1 | Confident | 112 Ų | 112 | 64.4 Ų | 64.4 | 52% | 0.519 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -13.9 | -178.9 | -72.8 | -37.6 | 0 | 0 | 0 | 114.4 | E82 K184 | E82-H85 IonicContact OE1-ND1 2.68Å; H85-K184 WeakPolarHBondContact O-CE 3.47Å; H85-K184 PolarHBondContact O-NZ 3.18Å |
| 86 | C | 64.7 | Low | 75.1 | Confident | 45 Ų | 45 | 64.4 Ų | 64.4 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -2.5 | 177.3 | -78.9 | 0 | 0 | 0 | 0 | 114.6 | D84 C174 | D84-C86 PolarHBondContact O-N 3.37Å; D84-C86 PolarHBondContact OD1-N 2.94Å; C86-C174 HydrophobicContact CB-CB 4.26Å; C86-C174 WeakPolarHBondContact CB-SG 3.34Å; C86-C174 VanDerWaalsContact SG-CA 3.59Å; C86-C174 WeakPolarHBondContact SG-CB 3.44Å; C86-C174 CovalentContact SG-SG 2.03Å; C86-C174 PolarHBondContact SG-SG 3.46Å |
| 87 | Q | 61.7 | Low | 75.3 | Confident | 101 Ų | 101 | 68.4 Ų | 68.4 | 47% | 0.472 | 34% | 0.343 | S | S | . | . | trans | -86.4 | 126 | 173.9 | -71.8 | -173 | 8.7 | 0 | 0 | 112 | D84 T89 | D84-Q87 HydrophobicContact CB-CB 4.43Å; D84-Q87 HydrophobicContact CB-CG 4.06Å; D84-Q87 PolarHBondContact O-N 3.24Å; D84-Q87 PolarHBondContact OD2-NE2 2.95Å; Q87-T89 PolarHBondContact O-N 3.32Å | ||
| 88 | Q | 61.8 | Low | 75.6 | Confident | 105 Ų | 105 | 70.5 Ų | 70.5 | 49% | 0.491 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.3 | -5.9 | 177.9 | -77.3 | -170.4 | -43.8 | 0 | 0 | 114.6 | V90 H91 S92 T182 L183 | Q88-V90 VanDerWaalsContact C-N 3.34Å; Q88-V90 PolarHBondContact O-N 2.61Å; Q88-H91 PolarHBondContact O-N 2.97Å; Q88-S92 PolarHBondContact O-N 2.98Å; Q88-T182 HydrophobicContact CG-CG2 3.21Å; Q88-L183 PolarHBondContact NE2-O 2.78Å |
| 89 | T | 61.1 | Low | 76 | Confident | 80 Ų | 80 | 71.6 Ų | 71.6 | 49% | 0.491 | 36% | 0.358 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -42.7 | -165.2 | 48.6 | 0 | 0 | 0 | 0 | 112.3 | Q87 | Q87-T89 PolarHBondContact O-N 3.32Š|
| 90 | V | 65.2 | Low | 76.6 | Confident | 5 Ų | 5 | 70.2 Ų | 70.2 | 3% | 0.03 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -87.5 | -34 | -176.4 | -176.9 | 0 | 0 | 0 | 0 | 112.6 | G77 F78 I81 Q88 S92 W95 | G77-V90 WeakPolarHBondContact O-CG1 3.33Å; G77-V90 VanDerWaalsContact O-CG2 3.32Å; G77-V90 WeakPolarHBondContact O-CG2 3.49Å; F78-V90 HydrophobicContact CB-CG1 4.49Å; F78-V90 HydrophobicContact CD1-CG1 3.55Å; F78-V90 HydrophobicContact CE1-CG1 3.78Å; F78-V90 HydrophobicContact CG-CG1 3.99Å; F78-V90 HydrophobicContact CZ-CG1 4.38Å; I81-V90 HydrophobicContact CB-CG2 3.95Å; I81-V90 HydrophobicContact CG2-CG2 3.56Å; Q88-V90 VanDerWaalsContact C-N 3.34Å; Q88-V90 PolarHBondContact O-N 2.61Å; V90-S92 PolarHBondContact O-N 3.19Å; V90-W95 WeakPolarHBondContact O-CB 3.2Å |
| 91 | H | 75.4 | Confident | 77.4 | Confident | 30 Ų | 30 | 71 Ų | 71 | 14% | 0.139 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -92 | 30.8 | -180 | -68.2 | -68 | 0 | 0 | 0 | 113.3 | E82 Q88 K184 Y185 | E82-H91 IonicContact OE1-CD2 2.75Å; E82-H91 IonicContact OE1-CE1 3.88Å; E82-H91 IonicContact OE1-NE2 2.53Å; E82-H91 PolarHBondContact OE1-NE2 3.38Å; E82-H91 IonicContact OE2-CE1 3.11Å; E82-H91 IonicContact OE2-NE2 3.91Å; E82-H91 PolarHBondContact OE2-NE2 3.47Å; E82-H91 VanDerWaalsContact OE2-NE2 3.11Å; Q88-H91 PolarHBondContact O-N 2.97Å; H91-K184 HydrophobicContact CB-CB 3.85Å; H91-K184 HydrophobicContact CB-CD 4.05Å; H91-K184 HydrophobicContact CB-CG 3.84Å; H91-Y185 WeakPolarHBondContact O-CD2 3.24Å; H91-Y185 PolarHBondContact O-N 3.04Å |
| 92 | S | 85.8 | Confident | 78.3 | Confident | 44 Ų | 44 | 67.1 Ų | 67.1 | 31% | 0.308 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -72.2 | 160.2 | 173.4 | 79.3 | 0 | 0 | 0 | 0 | 110.8 | Q88 V90 G94 W95 T96 | Q88-S92 PolarHBondContact O-N 2.98Å; V90-S92 PolarHBondContact O-N 3.19Å; S92-G94 PolarHBondContact O-N 3.38Å; S92-W95 PolarHBondContact O-N 3.49Å; S92-W95 PolarHBondContact OG-N 3.08Å; S92-T96 PolarHBondContact O-N 3.46Å; S92-T96 PolarHBondContact O-OG1 3.49Å |
| 93 | Y | 89.1 | Confident | 79.6 | Confident | 123 Ų | 123 | 66.1 Ų | 66.1 | 48% | 0.482 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -54.9 | -42 | 177.4 | -178.8 | -105.4 | 0 | 0 | 0 | 112.3 | W97 V167 Y185 | Y93-W97 AromaticContact CD1-CD1 3.93Å; Y93-W97 AromaticContact CE1-CD1 3.52Å; Y93-W97 AromaticContact CE1-NE1 3.53Å; Y93-W97 AromaticContact CE2-CD1 3.76Å; Y93-W97 AromaticContact CE2-NE1 3.4Å; Y93-W97 AromaticContact CZ-CD1 3.45Å; Y93-W97 VanDerWaalsContact CZ-CD1 3.45Å; Y93-W97 AromaticContact CZ-NE1 3Å; Y93-W97 PolarHBondContact O-N 2.91Å; Y93-W97 VanDerWaalsContact O-N 3.11Å; Y93-W97 PolarHBondContact OH-NE1 3.45Å; Y93-V167 HydrophobicContact CD2-CG1 3.87Å; Y93-V167 HydrophobicContact CE2-CB 4.48Å; Y93-V167 HydrophobicContact CE2-CG1 3.99Å; Y93-Y185 AromaticContact CD2-CD1 3.84Å; Y93-Y185 HydrophobicContact CD2-CD1 3.84Å; Y93-Y185 AromaticContact CD2-CE1 3.76Å; Y93-Y185 HydrophobicContact CD2-CE1 3.76Å; Y93-Y185 HydrophobicContact CD2-CG 4.44Å; Y93-Y185 HydrophobicContact CG-CE1 4.5Å |
| 94 | G | 90.7 | Very high | 81.3 | Confident | 48 Ų | 48 | 58.2 Ų | 58.2 | 50% | 0.495 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -66.5 | -46.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | S92 T96 W97 F98 | S92-G94 PolarHBondContact O-N 3.38Å; G94-T96 VanDerWaalsContact C-N 3.34Å; G94-T96 PolarHBondContact O-N 2.83Å; G94-W97 WeakPolarHBondContact O-CB 3.29Å; G94-W97 PolarHBondContact O-N 3.36Å; G94-F98 PolarHBondContact O-N 3.26Å |
| 95 | W | 90.1 | Very high | 83 | Confident | 90 Ų | 90 | 59.3 Ų | 59.3 | 34% | 0.341 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65 | -37.4 | 177.3 | -83.8 | 118 | 0 | 0 | 0 | 112.2 | V73 F78 V90 S92 W97 F98 L99 | V73-W95 HydrophobicContact CG1-CH2 4.4Å; V73-W95 HydrophobicContact CG1-CZ3 4.17Å; F78-W95 AromaticContact CE2-CE3 3.96Å; F78-W95 HydrophobicContact CE2-CE3 3.96Å; F78-W95 HydrophobicContact CZ-CB 4Å; F78-W95 WeakPolarHBondContact CZ-O 3.43Å; V90-W95 WeakPolarHBondContact O-CB 3.2Å; S92-W95 PolarHBondContact O-N 3.49Å; S92-W95 PolarHBondContact OG-N 3.08Å; W95-W97 VanDerWaalsContact C-N 3.32Å; W95-W97 PolarHBondContact O-N 3.43Å; W95-F98 HydrophobicContact CE3-CB 4.41Å; W95-F98 AromaticContact CE3-CD1 4Å; W95-F98 HydrophobicContact CE3-CD1 4Å; W95-F98 HydrophobicContact CE3-CG 4.36Å; W95-F98 HydrophobicContact CZ3-CD1 4.04Å; W95-F98 HydrophobicContact CZ3-CE1 4.4Å; W95-F98 HydrophobicContact CZ3-CG 4.47Å; W95-F98 CarbonylContact O-C 3.6Å; W95-F98 WeakPolarHBondContact O-CA 3.48Å; W95-F98 WeakPolarHBondContact O-CB 3.19Å; W95-F98 PolarHBondContact O-N 3Å; W95-F98 VanDerWaalsContact O-N 3.09Å; W95-L99 PolarHBondContact O-N 3.33Å |
| 96 | T | 91.6 | Very high | 84.7 | Confident | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -67.3 | -34 | 176.9 | -47.4 | 0 | 0 | 0 | 0 | 112.1 | S92 G94 L99 L100 V167 Y185 L187 | S92-T96 PolarHBondContact O-N 3.46Å; S92-T96 PolarHBondContact O-OG1 3.49Å; G94-T96 VanDerWaalsContact C-N 3.34Å; G94-T96 PolarHBondContact O-N 2.83Å; T96-L99 WeakPolarHBondContact O-CB 3.29Å; T96-L99 PolarHBondContact O-N 2.91Å; T96-L100 PolarHBondContact O-N 2.95Å; T96-V167 HydrophobicContact CG2-CB 4.41Å; T96-V167 HydrophobicContact CG2-CG1 3.8Å; T96-V167 HydrophobicContact CG2-CG2 4.05Å; T96-Y185 WeakPolarHBondContact OG1-CB 3.28Å; T96-Y185 PolarHBondContact OG1-O 3.49Å; T96-Y185 VanDerWaalsContact OG1-O 3.13Å; T96-L187 HydrophobicContact CG2-CD2 3.97Å; T96-L187 HydrophobicContact CG2-CG 4.19Å |
| 97 | W | 93.6 | Very high | 86.1 | Confident | 122 Ų | 122 | 54.3 Ų | 54.3 | 46% | 0.462 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 169 | -93.2 | 107.1 | 0 | 0 | 0 | 112.6 | Y93 G94 W95 L99 L100 L101 V167 | Y93-W97 AromaticContact CD1-CD1 3.93Å; Y93-W97 AromaticContact CE1-CD1 3.52Å; Y93-W97 AromaticContact CE1-NE1 3.53Å; Y93-W97 AromaticContact CE2-CD1 3.76Å; Y93-W97 AromaticContact CE2-NE1 3.4Å; Y93-W97 AromaticContact CZ-CD1 3.45Å; Y93-W97 VanDerWaalsContact CZ-CD1 3.45Å; Y93-W97 AromaticContact CZ-NE1 3Å; Y93-W97 PolarHBondContact O-N 2.91Å; Y93-W97 VanDerWaalsContact O-N 3.11Å; Y93-W97 PolarHBondContact OH-NE1 3.45Å; G94-W97 WeakPolarHBondContact O-CB 3.29Å; G94-W97 PolarHBondContact O-N 3.36Å; W95-W97 VanDerWaalsContact C-N 3.32Å; W95-W97 PolarHBondContact O-N 3.43Å; W97-L99 VanDerWaalsContact C-N 3.3Å; W97-L99 PolarHBondContact O-N 2.84Å; W97-L100 HydrophobicContact CE3-CD2 3.91Å; W97-L100 HydrophobicContact CH2-CD2 4.27Å; W97-L100 HydrophobicContact CZ3-CD2 3.6Å; W97-L100 PolarHBondContact O-N 2.85Å; W97-L101 WeakPolarHBondContact O-CB 3.45Å; W97-L101 PolarHBondContact O-N 3.31Å; W97-V167 HydrophobicContact CD2-CG2 3.95Å; W97-V167 HydrophobicContact CG-CG2 4.03Å; W97-V167 HydrophobicContact CZ2-CG2 4.47Å |
| 98 | F | 93.6 | Very high | 87.8 | Confident | 46 Ų | 46 | 50.5 Ų | 50.5 | 20% | 0.202 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.4 | -40.1 | 171.4 | 171.3 | -90.1 | 0 | 0 | 0 | 111.4 | V73 F78 G94 W95 L100 L101 H102 | V73-F98 HydrophobicContact CB-CE1 4.37Å; V73-F98 HydrophobicContact CB-CE2 4.31Å; V73-F98 HydrophobicContact CB-CZ 3.67Å; V73-F98 HydrophobicContact CG1-CE1 3.86Å; V73-F98 HydrophobicContact CG1-CE2 3.79Å; V73-F98 HydrophobicContact CG1-CZ 3.37Å; F78-F98 HydrophobicContact CE2-CD1 4.13Å; G94-F98 PolarHBondContact O-N 3.26Å; W95-F98 HydrophobicContact CE3-CB 4.41Å; W95-F98 AromaticContact CE3-CD1 4Å; W95-F98 HydrophobicContact CE3-CD1 4Å; W95-F98 HydrophobicContact CE3-CG 4.36Å; W95-F98 HydrophobicContact CZ3-CD1 4.04Å; W95-F98 HydrophobicContact CZ3-CE1 4.4Å; W95-F98 HydrophobicContact CZ3-CG 4.47Å; W95-F98 CarbonylContact O-C 3.6Å; W95-F98 WeakPolarHBondContact O-CA 3.48Å; W95-F98 WeakPolarHBondContact O-CB 3.19Å; W95-F98 PolarHBondContact O-N 3Å; W95-F98 VanDerWaalsContact O-N 3.09Å; F98-L100 VanDerWaalsContact C-N 3.33Å; F98-L100 PolarHBondContact O-N 3.48Å; F98-L101 CarbonylContact O-C 3.48Å; F98-L101 WeakPolarHBondContact O-CB 3.43Å; F98-L101 PolarHBondContact O-N 3.22Å; F98-H102 HydrophobicContact CE1-CB 4.22Å; F98-H102 HydrophobicContact CZ-CB 4.36Å; F98-H102 WeakPolarHBondContact O-CB 3.36Å; F98-H102 PolarHBondContact O-N 3.23Å |
| 99 | L | 92.6 | Very high | 89.5 | Confident | 38 Ų | 38 | 46.4 Ų | 46.4 | 20% | 0.199 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.5 | -43.2 | 175.2 | -177.8 | 62.9 | 0 | 0 | 0 | 111.7 | Y74 F78 W95 T96 W97 H102 A103 L187 | Y74-L99 HydrophobicContact CD2-CD1 3.67Å; Y74-L99 HydrophobicContact CE2-CD1 3.41Å; Y74-L99 VanDerWaalsContact CE2-CD1 3.41Å; F78-L99 HydrophobicContact CD2-CD1 4.49Å; F78-L99 HydrophobicContact CE1-CB 4.41Å; F78-L99 HydrophobicContact CE1-CD2 4.17Å; F78-L99 HydrophobicContact CE2-CB 4.07Å; F78-L99 HydrophobicContact CE2-CD1 4.41Å; F78-L99 HydrophobicContact CZ-CB 3.78Å; F78-L99 HydrophobicContact CZ-CD2 4.36Å; F78-L99 HydrophobicContact CZ-CG 4.46Å; W95-L99 PolarHBondContact O-N 3.33Å; T96-L99 WeakPolarHBondContact O-CB 3.29Å; T96-L99 PolarHBondContact O-N 2.91Å; W97-L99 VanDerWaalsContact C-N 3.3Å; W97-L99 PolarHBondContact O-N 2.84Å; L99-H102 PolarHBondContact O-N 3Å; L99-A103 WeakPolarHBondContact O-CB 3.19Å; L99-A103 PolarHBondContact O-N 3.29Å; L99-L187 HydrophobicContact CB-CD1 4.33Å; L99-L187 HydrophobicContact CD2-CD1 3.89Å; L99-L187 HydrophobicContact CD2-CG 4.23Å; L99-L187 HydrophobicContact CG-CD1 3.77Å |
| 100 | L | 93.7 | Very high | 91.1 | Very high | 12 Ų | 12 | 43.9 Ų | 43.9 | 6% | 0.063 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.2 | -43.8 | 174.6 | -178.7 | 55.4 | 0 | 0 | 0 | 111.8 | T96 W97 F98 A103 V104 F165 L187 | T96-L100 PolarHBondContact O-N 2.95Å; W97-L100 HydrophobicContact CE3-CD2 3.91Å; W97-L100 HydrophobicContact CH2-CD2 4.27Å; W97-L100 HydrophobicContact CZ3-CD2 3.6Å; W97-L100 PolarHBondContact O-N 2.85Å; F98-L100 VanDerWaalsContact C-N 3.33Å; F98-L100 PolarHBondContact O-N 3.48Å; L100-A103 PolarHBondContact O-N 2.87Å; L100-V104 HydrophobicContact CD1-CG2 4.3Å; L100-V104 WeakPolarHBondContact O-CG2 3.44Å; L100-V104 PolarHBondContact O-N 3.11Å; L100-F165 HydrophobicContact CD1-CB 3.9Å; L100-L187 HydrophobicContact CB-CD1 4.22Å; L100-L187 HydrophobicContact CB-CD2 3.85Å; L100-L187 HydrophobicContact CD1-CD1 4.47Å; L100-L187 HydrophobicContact CD1-CD2 4.42Å; L100-L187 HydrophobicContact CD2-CD2 4.49Å; L100-L187 HydrophobicContact CG-CD2 4.49Å |
| 101 | L | 94.5 | Very high | 92.6 | Very high | 76 Ų | 76 | 43.9 Ų | 43.9 | 40% | 0.398 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -59.5 | -49.6 | 176 | -172.1 | 155.1 | 0 | 0 | 0 | 110.1 | L70 W97 F98 A103 V104 F105 | L70-L101 HydrophobicContact CD2-CD2 4.35Å; W97-L101 WeakPolarHBondContact O-CB 3.45Å; W97-L101 PolarHBondContact O-N 3.31Å; F98-L101 CarbonylContact O-C 3.48Å; F98-L101 WeakPolarHBondContact O-CB 3.43Å; F98-L101 PolarHBondContact O-N 3.22Å; L101-A103 VanDerWaalsContact C-N 3.35Å; L101-A103 PolarHBondContact O-N 3.42Å; L101-V104 PolarHBondContact O-N 2.95Å; L101-F105 HydrophobicContact CD1-CE2 4.28Å; L101-F105 HydrophobicContact CD2-CB 4.48Å; L101-F105 HydrophobicContact CD2-CD2 3.46Å; L101-F105 VanDerWaalsContact CD2-CD2 3.46Å; L101-F105 HydrophobicContact CD2-CE2 3.94Å; L101-F105 HydrophobicContact CD2-CG 4.18Å; L101-F105 HydrophobicContact CG-CD2 3.55Å; L101-F105 HydrophobicContact CG-CE2 3.7Å; L101-F105 WeakPolarHBondContact O-CB 3.24Å; L101-F105 VanDerWaalsContact O-CD2 3.31Å; L101-F105 WeakPolarHBondContact O-CD2 3.18Å; L101-F105 PolarHBondContact O-N 2.95Å |
| 102 | H | 94.3 | Very high | 93.6 | Very high | 13 Ų | 13 | 42.8 Ų | 42.8 | 6% | 0.06 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -55.4 | -48.7 | 176.1 | 175.7 | 79.5 | 0 | 0 | 0 | 111.3 | L70 Y71 Y74 F98 L99 V104 F105 S106 | L70-H102 PolarHBondContact O-ND1 3.11Å; Y71-H102 AromaticContact CD2-CE1 3.69Å; Y71-H102 AromaticContact CD2-NE2 3.84Å; Y74-H102 AromaticContact CD1-NE2 3.82Å; Y74-H102 AromaticContact CG-CD2 3.85Å; Y74-H102 AromaticContact CG-NE2 3.83Å; F98-H102 HydrophobicContact CE1-CB 4.22Å; F98-H102 HydrophobicContact CZ-CB 4.36Å; F98-H102 WeakPolarHBondContact O-CB 3.36Å; F98-H102 PolarHBondContact O-N 3.23Å; L99-H102 PolarHBondContact O-N 3Å; H102-V104 VanDerWaalsContact C-N 3.34Å; H102-V104 PolarHBondContact O-N 3.34Å; H102-F105 PolarHBondContact O-N 2.72Å; H102-S106 WeakPolarHBondContact O-CB 3.45Å; H102-S106 PolarHBondContact O-N 3.27Å; H102-S106 PolarHBondContact O-OG 2.91Å |
| 103 | A | 93.4 | Very high | 94.1 | Very high | 27 Ų | 27 | 40.7 Ų | 40.7 | 22% | 0.223 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.5 | -41 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L99 L100 L101 S106 V107 | L99-A103 WeakPolarHBondContact O-CB 3.19Å; L99-A103 PolarHBondContact O-N 3.29Å; L100-A103 PolarHBondContact O-N 2.87Å; L101-A103 VanDerWaalsContact C-N 3.35Å; L101-A103 PolarHBondContact O-N 3.42Å; A103-S106 PolarHBondContact O-OG 3.31Å; A103-S106 VanDerWaalsContact O-OG 3.14Å; A103-V107 WeakPolarHBondContact O-CG2 3.47Å |
| 104 | V | 95.1 | Very high | 94.5 | Very high | 22 Ų | 22 | 34.9 Ų | 34.9 | 13% | 0.133 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -74.8 | -49.6 | 179.1 | 175.5 | 0 | 0 | 0 | 0 | 111.5 | L100 L101 H102 V107 V108 A162 | L100-V104 HydrophobicContact CD1-CG2 4.3Å; L100-V104 WeakPolarHBondContact O-CG2 3.44Å; L100-V104 PolarHBondContact O-N 3.11Å; L101-V104 PolarHBondContact O-N 2.95Å; H102-V104 VanDerWaalsContact C-N 3.34Å; H102-V104 PolarHBondContact O-N 3.34Å; V104-V107 PolarHBondContact O-N 3.31Å; V104-V108 WeakPolarHBondContact O-CG2 3.36Å; V104-V108 PolarHBondContact O-N 3.35Å; V104-V108 VanDerWaalsContact O-N 3.11Å; V104-A162 HydrophobicContact CG1-CB 4.28Å; V104-A162 HydrophobicContact CG2-CB 4.11Å |
| 105 | F | 95.7 | Very high | 94.8 | Very high | 105 Ų | 105 | 35.1 Ų | 35.1 | 46% | 0.461 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -70 | -35.7 | -175.4 | -84.3 | -87.2 | 0 | 0 | 0 | 112.6 | L70 L101 H102 V107 V108 L109 | L70-F105 HydrophobicContact CD1-CB 3.91Å; L101-F105 HydrophobicContact CD1-CE2 4.28Å; L101-F105 HydrophobicContact CD2-CB 4.48Å; L101-F105 HydrophobicContact CD2-CD2 3.46Å; L101-F105 VanDerWaalsContact CD2-CD2 3.46Å; L101-F105 HydrophobicContact CD2-CE2 3.94Å; L101-F105 HydrophobicContact CD2-CG 4.18Å; L101-F105 HydrophobicContact CG-CD2 3.55Å; L101-F105 HydrophobicContact CG-CE2 3.7Å; L101-F105 WeakPolarHBondContact O-CB 3.24Å; L101-F105 VanDerWaalsContact O-CD2 3.31Å; L101-F105 WeakPolarHBondContact O-CD2 3.18Å; L101-F105 PolarHBondContact O-N 2.95Å; H102-F105 PolarHBondContact O-N 2.72Å; F105-V107 VanDerWaalsContact C-N 3.34Å; F105-V107 PolarHBondContact O-N 3Å; F105-V108 PolarHBondContact O-N 2.86Å; F105-L109 WeakPolarHBondContact O-CB 3.36Å; F105-L109 VanDerWaalsContact O-CG 3.27Å; F105-L109 WeakPolarHBondContact O-CG 3.21Å; F105-L109 PolarHBondContact O-N 3.14Å |
| 106 | S | 95.3 | Very high | 95.1 | Very high | 20 Ų | 20 | 30.9 Ų | 30.9 | 14% | 0.14 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -59.7 | -45.6 | 175.1 | 58.6 | 0 | 0 | 0 | 0 | 111.1 | H102 A103 V108 L109 H110 | H102-S106 WeakPolarHBondContact O-CB 3.45Å; H102-S106 PolarHBondContact O-N 3.27Å; H102-S106 PolarHBondContact O-OG 2.91Å; A103-S106 PolarHBondContact O-OG 3.31Å; A103-S106 VanDerWaalsContact O-OG 3.14Å; S106-V108 PolarHBondContact O-N 3.13Å; S106-L109 PolarHBondContact O-N 3.15Å; S106-H110 WeakPolarHBondContact O-CB 3.48Å; S106-H110 PolarHBondContact O-N 3.5Å |
| 107 | V | 94.6 | Very high | 95.3 | Very high | 33 Ų | 33 | 30.8 Ų | 30.8 | 20% | 0.2 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -62.1 | -44.7 | 176.2 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | A103 V104 F105 T111 F212 | A103-V107 WeakPolarHBondContact O-CG2 3.47Å; V104-V107 PolarHBondContact O-N 3.31Å; F105-V107 VanDerWaalsContact C-N 3.34Å; F105-V107 PolarHBondContact O-N 3Å; V107-T111 VanDerWaalsContact O-CB 3.23Å; V107-T111 WeakPolarHBondContact O-CB 3.25Å; V107-T111 PolarHBondContact O-N 3.38Å; V107-T111 PolarHBondContact O-OG1 3.01Å; V107-F212 HydrophobicContact CG1-CD2 3.84Å; V107-F212 HydrophobicContact CG1-CE2 3.97Å |
| 108 | V | 96.7 | Very high | 95.4 | Very high | 20 Ų | 20 | 25 Ų | 25 | 12% | 0.121 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -59.7 | -50.7 | 177.1 | 169.5 | 0 | 0 | 0 | 0 | 110.9 | V104 F105 S106 T111 I112 V154 S158 | V104-V108 WeakPolarHBondContact O-CG2 3.36Å; V104-V108 PolarHBondContact O-N 3.35Å; V104-V108 VanDerWaalsContact O-N 3.11Å; F105-V108 PolarHBondContact O-N 2.86Å; S106-V108 PolarHBondContact O-N 3.13Å; V108-T111 PolarHBondContact O-N 3.02Å; V108-I112 HydrophobicContact CG1-CD1 3.72Å; V108-I112 VanDerWaalsContact O-CG1 3.27Å; V108-I112 WeakPolarHBondContact O-CG1 3.28Å; V108-I112 PolarHBondContact O-N 2.91Å; V108-V154 HydrophobicContact CB-CG1 4.42Å; V108-V154 HydrophobicContact CG1-CG1 4.11Å; V108-V154 HydrophobicContact CG2-CG1 4.49Å; V108-S158 WeakPolarHBondContact CG2-OG 3.48Å |
| 109 | L | 96.7 | Very high | 95.5 | Very high | 20 Ų | 20 | 24.6 Ų | 24.6 | 11% | 0.105 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.7 | -44.3 | -177.4 | -69.1 | 170.7 | 0 | 0 | 0 | 111.9 | I63 L67 L70 F105 S106 T111 I112 S113 | I63-L109 HydrophobicContact CD1-CD2 3.91Å; I63-L109 HydrophobicContact CG2-CB 4.09Å; I63-L109 HydrophobicContact CG2-CD2 4.09Å; I63-L109 VanDerWaalsContact CG2-O 3.28Å; I63-L109 WeakPolarHBondContact CG2-O 3.32Å; L67-L109 HydrophobicContact CD1-CB 4.02Å; L70-L109 HydrophobicContact CD1-CD1 3.55Å; F105-L109 WeakPolarHBondContact O-CB 3.36Å; F105-L109 VanDerWaalsContact O-CG 3.27Å; F105-L109 WeakPolarHBondContact O-CG 3.21Å; F105-L109 PolarHBondContact O-N 3.14Å; S106-L109 PolarHBondContact O-N 3.15Å; L109-T111 VanDerWaalsContact C-N 3.33Å; L109-T111 PolarHBondContact O-N 3.01Å; L109-I112 PolarHBondContact O-N 3.1Å; L109-S113 PolarHBondContact O-N 3.13Å |
| 110 | H | 95.2 | Very high | 95.6 | Very high | 26 Ų | 26 | 23 Ų | 23 | 12% | 0.12 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.2 | -47 | 174.4 | -96.9 | -51.5 | 0 | 0 | 0 | 111.6 | L67 S106 I112 S113 L114 S305 | L67-H110 HydrophobicContact CD1-CB 4.25Å; L67-H110 VanDerWaalsContact CD1-CD2 3.43Å; L67-H110 WeakPolarHBondContact CD1-CD2 3.33Å; L67-H110 WeakPolarHBondContact CD1-CE1 3.35Å; L67-H110 WeakPolarHBondContact CD1-NE2 3.15Å; S106-H110 WeakPolarHBondContact O-CB 3.48Å; S106-H110 PolarHBondContact O-N 3.5Å; H110-I112 VanDerWaalsContact C-N 3.34Å; H110-I112 PolarHBondContact O-N 3.22Å; H110-S113 PolarHBondContact O-N 3.03Å; H110-L114 WeakPolarHBondContact O-CB 3.12Å; H110-L114 PolarHBondContact O-N 3.44Å; H110-S305 WeakPolarHBondContact CE1-CB 3.4Å; H110-S305 PolarHBondContact CE1-OG 2.71Å; H110-S305 WeakPolarHBondContact NE2-CB 3.49Å; H110-S305 PolarHBondContact NE2-OG 3.05Å; H110-S305 VanDerWaalsContact NE2-OG 3.16Å |
| 111 | T | 96.5 | Very high | 95.6 | Very high | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.1 | -44.6 | -179.7 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | V107 V108 L109 L114 W115 V154 F212 | V107-T111 VanDerWaalsContact O-CB 3.23Å; V107-T111 WeakPolarHBondContact O-CB 3.25Å; V107-T111 PolarHBondContact O-N 3.38Å; V107-T111 PolarHBondContact O-OG1 3.01Å; V108-T111 PolarHBondContact O-N 3.02Å; L109-T111 VanDerWaalsContact C-N 3.33Å; L109-T111 PolarHBondContact O-N 3.01Å; T111-L114 PolarHBondContact O-N 2.97Å; T111-W115 WeakPolarHBondContact O-CB 3.2Å; T111-W115 PolarHBondContact O-N 2.92Å; T111-V154 HydrophobicContact CG2-CB 4.47Å; T111-V154 HydrophobicContact CG2-CG1 3.76Å; T111-V154 HydrophobicContact CG2-CG2 3.78Å; T111-F212 HydrophobicContact CG2-CB 3.85Å; T111-F212 HydrophobicContact CG2-CD1 3.57Å; T111-F212 HydrophobicContact CG2-CD2 4.18Å; T111-F212 HydrophobicContact CG2-CE1 4.09Å; T111-F212 HydrophobicContact CG2-CG 3.61Å; T111-F212 WeakPolarHBondContact OG1-CD2 3.25Å; T111-F212 WeakPolarHBondContact OG1-CG 3.38Å |
| 112 | I | 97.4 | Very high | 95.6 | Very high | 7 Ų | 7 | 21.9 Ų | 21.9 | 4% | 0.036 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -62.2 | -46.4 | 176.7 | -69.4 | 167 | 0 | 0 | 0 | 110.7 | I63 V108 L109 H110 L114 W115 L116 F147 L150 A151 V154 | I63-I112 HydrophobicContact CD1-CG2 4.26Å; I63-I112 HydrophobicContact CG1-CG2 4.23Å; V108-I112 HydrophobicContact CG1-CD1 3.72Å; V108-I112 VanDerWaalsContact O-CG1 3.27Å; V108-I112 WeakPolarHBondContact O-CG1 3.28Å; V108-I112 PolarHBondContact O-N 2.91Å; L109-I112 PolarHBondContact O-N 3.1Å; H110-I112 VanDerWaalsContact C-N 3.34Å; H110-I112 PolarHBondContact O-N 3.22Å; I112-L114 PolarHBondContact O-N 3.26Å; I112-W115 PolarHBondContact O-N 3.48Å; I112-L116 HydrophobicContact CG2-CD1 3.87Å; I112-L116 HydrophobicContact CG2-CG 4.29Å; I112-L116 WeakPolarHBondContact O-CB 3.5Å; I112-L116 VanDerWaalsContact O-CG 3.26Å; I112-L116 WeakPolarHBondContact O-CG 3.44Å; I112-L116 PolarHBondContact O-N 3.45Å; I112-F147 HydrophobicContact CG2-CD2 4.16Å; I112-F147 HydrophobicContact CG2-CE2 3.77Å; I112-L150 HydrophobicContact CG2-CD2 4.37Å; I112-A151 HydrophobicContact CD1-CB 4.05Å; I112-V154 HydrophobicContact CG1-CB 4.02Å; I112-V154 HydrophobicContact CG1-CG1 4.09Å; I112-V154 HydrophobicContact CG1-CG2 4.06Å |
| 113 | S | 96 | Very high | 95.4 | Very high | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.007 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -58.7 | -46.4 | 178.9 | -167.2 | 0 | 0 | 0 | 0 | 111.3 | D64 L109 H110 L116 A117 | D64-S113 PolarHBondContact OD1-OG 2.97Å; D64-S113 VanDerWaalsContact OD1-OG 3.11Å; L109-S113 PolarHBondContact O-N 3.13Å; H110-S113 PolarHBondContact O-N 3.03Å; S113-L116 PolarHBondContact O-N 3.26Å; S113-A117 PolarHBondContact O-N 2.99Å |
| 114 | L | 96.3 | Very high | 95.2 | Very high | 1 Ų | 1 | 21.9 Ų | 21.9 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.3 | -43.4 | 179.2 | 176.9 | 56 | 0 | 0 | 0 | 112.8 | H110 T111 I112 A117 A118 K213 P216 L220 F268 E272 | H110-L114 WeakPolarHBondContact O-CB 3.12Å; H110-L114 PolarHBondContact O-N 3.44Å; T111-L114 PolarHBondContact O-N 2.97Å; I112-L114 PolarHBondContact O-N 3.26Å; L114-A117 PolarHBondContact O-N 3.44Å; L114-A118 PolarHBondContact O-N 3.36Å; L114-K213 HydrophobicContact CD2-CB 4.48Å; L114-K213 HydrophobicContact CD2-CG 4.39Å; L114-P216 HydrophobicContact CD1-CB 4.48Å; L114-P216 HydrophobicContact CD2-CB 4.43Å; L114-P216 HydrophobicContact CD2-CG 3.79Å; L114-P216 HydrophobicContact CG-CB 3.94Å; L114-P216 HydrophobicContact CG-CG 3.8Å; L114-L220 HydrophobicContact CD1-CD2 4.46Å; L114-F268 HydrophobicContact CB-CE1 4.02Å; L114-F268 HydrophobicContact CD1-CD1 4.03Å; L114-F268 HydrophobicContact CD1-CE1 3.65Å; L114-F268 HydrophobicContact CG-CE1 4.42Å; L114-E272 HydrophobicContact CD1-CB 4.43Å; L114-E272 HydrophobicContact CD1-CG 4.21Å |
| 115 | W | 97.8 | Very high | 94.9 | Very high | 53 Ų | 53 | 21.5 Ų | 21.5 | 20% | 0.201 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -65.6 | -38.3 | 174.5 | -89 | 101.2 | 0 | 0 | 0 | 112.5 | T111 I112 A117 A118 L119 L150 P211 I215 P216 I219 | T111-W115 WeakPolarHBondContact O-CB 3.2Å; T111-W115 PolarHBondContact O-N 2.92Å; I112-W115 PolarHBondContact O-N 3.48Å; W115-A117 VanDerWaalsContact C-N 3.34Å; W115-A118 PolarHBondContact O-N 3.44Å; W115-L119 WeakPolarHBondContact O-CB 3.48Å; W115-L119 VanDerWaalsContact O-CG 3.23Å; W115-L119 WeakPolarHBondContact O-CG 3.47Å; W115-L119 PolarHBondContact O-N 3.38Å; W115-L150 HydrophobicContact CB-CD1 3.7Å; W115-L150 HydrophobicContact CB-CD2 3.63Å; W115-L150 HydrophobicContact CB-CG 4.25Å; W115-L150 HydrophobicContact CD2-CD1 4.45Å; W115-L150 HydrophobicContact CG-CD1 3.93Å; W115-P211 WeakPolarHBondContact CZ2-O 3.48Å; W115-P211 PolarHBondContact NE1-O 3.23Å; W115-I215 HydrophobicContact CH2-CG2 3.69Å; W115-I215 HydrophobicContact CZ2-CB 4.34Å; W115-I215 HydrophobicContact CZ2-CG2 3.93Å; W115-P216 HydrophobicContact CD2-CB 3.84Å; W115-P216 HydrophobicContact CD2-CG 4.26Å; W115-P216 HydrophobicContact CE3-CB 4.18Å; W115-P216 HydrophobicContact CG-CB 4.14Å; W115-P216 HydrophobicContact CG-CG 4.4Å; W115-P216 HydrophobicContact CZ2-CB 4.29Å; W115-P216 HydrophobicContact CZ2-CG 4.28Å; W115-I219 HydrophobicContact CH2-CD1 4Å; W115-I219 HydrophobicContact CZ3-CD1 3.84Å |
| 116 | L | 96.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.4 | -41.2 | 173.7 | -75 | 172.4 | 0 | 0 | 0 | 111.5 | F56 I59 I60 I112 S113 L119 F120 F147 L150 | F56-L116 HydrophobicContact CD1-CD2 4.18Å; F56-L116 HydrophobicContact CE1-CD2 4.16Å; I59-L116 HydrophobicContact CB-CD1 4.42Å; I59-L116 HydrophobicContact CG2-CD1 3.54Å; I60-L116 HydrophobicContact CD1-CB 4.25Å; I60-L116 HydrophobicContact CG1-CB 3.93Å; I60-L116 HydrophobicContact CG1-CD1 4.24Å; I112-L116 HydrophobicContact CG2-CD1 3.87Å; I112-L116 HydrophobicContact CG2-CG 4.29Å; I112-L116 WeakPolarHBondContact O-CB 3.5Å; I112-L116 VanDerWaalsContact O-CG 3.26Å; I112-L116 WeakPolarHBondContact O-CG 3.44Å; I112-L116 PolarHBondContact O-N 3.45Å; S113-L116 PolarHBondContact O-N 3.26Å; L116-L119 PolarHBondContact O-N 3.13Å; L116-F120 WeakPolarHBondContact O-CB 3.42Å; L116-F120 PolarHBondContact O-N 2.85Å; L116-F147 HydrophobicContact CD1-CD2 3.96Å; L116-F147 HydrophobicContact CD1-CE2 4.37Å; L116-F147 HydrophobicContact CD2-CB 4.43Å; L116-F147 HydrophobicContact CD2-CD2 4.33Å; L116-L150 HydrophobicContact CD2-CD2 4.01Å; L116-L150 HydrophobicContact CG-CD2 3.89Å |
| 117 | A | 95.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.7 | -45.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | S113 L114 W115 F120 S121 L265 F268 | S113-A117 PolarHBondContact O-N 2.99Å; L114-A117 PolarHBondContact O-N 3.44Å; W115-A117 VanDerWaalsContact C-N 3.34Å; A117-F120 PolarHBondContact O-N 3.37Å; A117-S121 WeakPolarHBondContact O-CB 3.42Å; A117-S121 PolarHBondContact O-N 3.43Å; A117-L265 HydrophobicContact CB-CD2 4.05Å; A117-F268 HydrophobicContact CB-CD1 4.01Å; A117-F268 HydrophobicContact CB-CD2 4.17Å; A117-F268 HydrophobicContact CB-CE1 4.03Å; A117-F268 HydrophobicContact CB-CE2 4.17Å; A117-F268 HydrophobicContact CB-CG 4.1Å; A117-F268 HydrophobicContact CB-CZ 4.1Å |
| 118 | A | 96.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.008 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.7 | -49 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | L114 W115 F120 S121 L122 P216 I219 L220 | L114-A118 PolarHBondContact O-N 3.36Å; W115-A118 PolarHBondContact O-N 3.44Å; A118-F120 VanDerWaalsContact C-N 3.34Å; A118-F120 PolarHBondContact O-N 3.08Å; A118-S121 WeakPolarHBondContact O-CB 3.46Å; A118-S121 PolarHBondContact O-N 2.98Å; A118-S121 PolarHBondContact O-OG 3.37Å; A118-L122 PolarHBondContact O-N 2.93Å; A118-P216 HydrophobicContact CB-CB 4.02Å; A118-I219 HydrophobicContact CB-CB 4.42Å; A118-I219 HydrophobicContact CB-CG2 4.22Å; A118-L220 HydrophobicContact CB-CB 4.24Å |
| 119 | L | 96.1 | Very high | 92.9 | Very high | 36 Ų | 36 | 25.8 Ų | 25.8 | 19% | 0.188 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.8 | -39.5 | 178 | -70.9 | 169.2 | 0 | 0 | 0 | 111.9 | F56 W115 L116 S121 L122 V123 L146 L150 | F56-L119 HydrophobicContact CE1-CB 4.2Å; F56-L119 HydrophobicContact CZ-CB 4.38Å; W115-L119 WeakPolarHBondContact O-CB 3.48Å; W115-L119 VanDerWaalsContact O-CG 3.23Å; W115-L119 WeakPolarHBondContact O-CG 3.47Å; W115-L119 PolarHBondContact O-N 3.38Å; L116-L119 PolarHBondContact O-N 3.13Å; L119-S121 VanDerWaalsContact C-N 3.33Å; L119-S121 PolarHBondContact O-N 3.36Å; L119-L122 PolarHBondContact O-N 3.15Å; L119-V123 WeakPolarHBondContact O-CB 3.39Å; L119-V123 WeakPolarHBondContact O-CG2 3.42Å; L119-V123 PolarHBondContact O-N 3.45Å; L119-L146 HydrophobicContact CD1-CD1 4.32Å; L119-L146 HydrophobicContact CD1-CD2 4.14Å; L119-L146 HydrophobicContact CD1-CG 4.24Å; L119-L150 HydrophobicContact CD1-CD2 4.23Å |
| 120 | F | 93.9 | Very high | 91.8 | Very high | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -61.1 | -44.5 | 176.4 | 179.9 | -153.1 | 0 | 0 | 0 | 111.3 | F56 L57 L116 A117 A118 L122 R124 L261 L265 | F56-F120 HydrophobicContact CB-CB 4.12Å; F56-F120 HydrophobicContact CB-CD1 4.16Å; F56-F120 HydrophobicContact CB-CD2 3.85Å; F56-F120 HydrophobicContact CB-CE1 4.49Å; F56-F120 HydrophobicContact CB-CE2 4.23Å; F56-F120 HydrophobicContact CB-CG 3.8Å; F56-F120 HydrophobicContact CB-CZ 4.48Å; F56-F120 HydrophobicContact CD1-CB 3.88Å; F56-F120 HydrophobicContact CD1-CG 4.44Å; F56-F120 HydrophobicContact CD2-CB 4.06Å; F56-F120 AromaticContact CD2-CD2 3.46Å; F56-F120 HydrophobicContact CD2-CD2 3.46Å; F56-F120 VanDerWaalsContact CD2-CD2 3.46Å; F56-F120 HydrophobicContact CD2-CE2 4.14Å; F56-F120 AromaticContact CD2-CG 3.99Å; F56-F120 HydrophobicContact CD2-CG 3.99Å; F56-F120 HydrophobicContact CE1-CB 4.23Å; F56-F120 HydrophobicContact CE2-CB 4.37Å; F56-F120 HydrophobicContact CE2-CD2 4.1Å; F56-F120 HydrophobicContact CG-CB 3.78Å; F56-F120 AromaticContact CG-CD2 3.8Å; F56-F120 HydrophobicContact CG-CD2 3.8Å; F56-F120 AromaticContact CG-CG 3.86Å; F56-F120 HydrophobicContact CG-CG 3.86Å; F56-F120 HydrophobicContact CZ-CB 4.45Å; L57-F120 HydrophobicContact CD1-CE1 4.38Å; L57-F120 HydrophobicContact CD1-CZ 4.33Å; L57-F120 HydrophobicContact CD2-CD1 4.5Å; L57-F120 HydrophobicContact CD2-CE1 3.72Å; L57-F120 HydrophobicContact CD2-CZ 4.45Å; L57-F120 HydrophobicContact CG-CE1 3.79Å; L57-F120 HydrophobicContact CG-CZ 4.06Å; L116-F120 WeakPolarHBondContact O-CB 3.42Å; L116-F120 PolarHBondContact O-N 2.85Å; A117-F120 PolarHBondContact O-N 3.37Å; A118-F120 VanDerWaalsContact C-N 3.34Å; A118-F120 PolarHBondContact O-N 3.08Å; F120-L122 VanDerWaalsContact C-N 3.31Å; F120-L122 PolarHBondContact O-N 3.33Å; F120-R124 WeakPolarHBondContact O-CB 3.31Å; F120-R124 PolarHBondContact O-N 3.19Å; F120-L261 HydrophobicContact CD1-CD1 4.26Å; F120-L261 HydrophobicContact CD2-CD1 4.08Å; F120-L261 HydrophobicContact CE1-CD1 3.59Å; F120-L261 HydrophobicContact CE1-CG 4.08Å; F120-L261 HydrophobicContact CE2-CD1 3.37Å; F120-L261 HydrophobicContact CG-CD1 4.49Å; F120-L261 HydrophobicContact CZ-CD1 3.14Å; F120-L261 HydrophobicContact CZ-CG 4.1Å; F120-L265 HydrophobicContact CD1-CD2 4.26Å |
| 121 | S | 93.7 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.5 | -42.3 | 175.9 | 83.8 | 0 | 0 | 0 | 0 | 112.2 | A117 A118 L119 R124 L125 S223 L265 | A117-S121 WeakPolarHBondContact O-CB 3.42Å; A117-S121 PolarHBondContact O-N 3.43Å; A118-S121 WeakPolarHBondContact O-CB 3.46Å; A118-S121 PolarHBondContact O-N 2.98Å; A118-S121 PolarHBondContact O-OG 3.37Å; L119-S121 VanDerWaalsContact C-N 3.33Å; L119-S121 PolarHBondContact O-N 3.36Å; S121-R124 PolarHBondContact O-N 3.02Å; S121-L125 WeakPolarHBondContact O-CB 3.38Å; S121-L125 PolarHBondContact O-N 3.3Å; S121-S223 WeakPolarHBondContact OG-CB 3.37Å; S121-S223 PolarHBondContact OG-OG 3.43Å; S121-L265 VanDerWaalsContact CB-CD1 3.43Å |
| 122 | L | 93.3 | Very high | 88.7 | Confident | 66 Ų | 66 | 48.1 Ų | 48.1 | 35% | 0.346 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -70.6 | -47.6 | -178.8 | -177.9 | 62.7 | 0 | 0 | 0 | 111.7 | A118 L119 F120 R124 L125 I126 | A118-L122 PolarHBondContact O-N 2.93Å; L119-L122 PolarHBondContact O-N 3.15Å; F120-L122 VanDerWaalsContact C-N 3.31Å; F120-L122 PolarHBondContact O-N 3.33Å; L122-R124 PolarHBondContact O-N 3.44Å; L122-L125 WeakPolarHBondContact O-CB 3.42Å; L122-L125 PolarHBondContact O-N 3.36Å; L122-L125 VanDerWaalsContact O-N 3.13Å; L122-I126 HydrophobicContact CD1-CD1 4.47Å; L122-I126 HydrophobicContact CG-CD1 4.13Å; L122-I126 WeakPolarHBondContact O-CG1 3.38Å; L122-I126 PolarHBondContact O-N 3.07Å |
| 123 | V | 91.2 | Very high | 87.3 | Confident | 14 Ų | 14 | 53.6 Ų | 53.6 | 9% | 0.085 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -57.7 | -42.9 | 174.9 | 168.9 | 0 | 0 | 0 | 0 | 109.9 | F56 L119 L125 I126 V127 F138 | F56-V123 HydrophobicContact CE2-CB 4.12Å; F56-V123 HydrophobicContact CE2-CG1 4.22Å; F56-V123 HydrophobicContact CE2-CG2 4.11Å; F56-V123 HydrophobicContact CZ-CG2 4.08Å; L119-V123 WeakPolarHBondContact O-CB 3.39Å; L119-V123 WeakPolarHBondContact O-CG2 3.42Å; L119-V123 PolarHBondContact O-N 3.45Å; V123-L125 VanDerWaalsContact C-N 3.34Å; V123-L125 PolarHBondContact O-N 2.89Å; V123-I126 PolarHBondContact O-N 3.12Å; V123-V127 HydrophobicContact CG1-CG2 4.3Å; V123-V127 WeakPolarHBondContact O-CB 3.14Å; V123-V127 WeakPolarHBondContact O-CG2 3.33Å; V123-V127 PolarHBondContact O-N 3.23Å; V123-F138 HydrophobicContact CB-CE1 4.38Å; V123-F138 HydrophobicContact CG1-CB 4.3Å; V123-F138 HydrophobicContact CG1-CD1 3.67Å; V123-F138 HydrophobicContact CG1-CD2 3.93Å; V123-F138 HydrophobicContact CG1-CE1 3.9Å; V123-F138 HydrophobicContact CG1-CE2 4.1Å; V123-F138 HydrophobicContact CG1-CG 3.69Å; V123-F138 HydrophobicContact CG1-CZ 4.1Å; V123-F138 HydrophobicContact CG2-CD1 4.08Å; V123-F138 HydrophobicContact CG2-CE1 3.73Å; V123-F138 HydrophobicContact CG2-CZ 4.23Å |
| 124 | R | 88.3 | Confident | 86.3 | Confident | 25 Ų | 25 | 55.4 Ų | 55.4 | 9% | 0.094 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.2 | -43.4 | 177.3 | -172.9 | 65.9 | 178.9 | 171.8 | 7.6 | 111.8 | F120 S121 L122 I126 V127 I128 L227 S254 T258 L261 | F120-R124 WeakPolarHBondContact O-CB 3.31Å; F120-R124 PolarHBondContact O-N 3.19Å; S121-R124 PolarHBondContact O-N 3.02Å; L122-R124 PolarHBondContact O-N 3.44Å; R124-I126 VanDerWaalsContact C-N 3.33Å; R124-I126 PolarHBondContact O-N 3.47Å; R124-V127 PolarHBondContact O-N 2.82Å; R124-I128 HydrophobicContact CG-CD1 3.82Å; R124-I128 HydrophobicContact CG-CG1 4.44Å; R124-I128 WeakPolarHBondContact O-CB 3.33Å; R124-I128 VanDerWaalsContact O-CG1 3.25Å; R124-I128 WeakPolarHBondContact O-CG1 3.46Å; R124-I128 PolarHBondContact O-N 3.16Å; R124-L227 HydrophobicContact CG-CD2 4.22Å; R124-S254 PolarHBondContact NH2-O 3.05Å; R124-S254 PolarHBondContact NH2-OG 3.17Å; R124-T258 PolarHBondContact NH2-OG1 2.92Å; R124-L261 HydrophobicContact CB-CD1 3.95Å; R124-L261 HydrophobicContact CB-CD2 4.19Å; R124-L261 HydrophobicContact CG-CD1 3.7Å; R124-L261 HydrophobicContact CG-CD2 3.87Å; R124-L261 HydrophobicContact CG-CG 4.46Å |
| 125 | L | 88.8 | Confident | 85.3 | Confident | 14 Ų | 14 | 57.8 Ų | 57.8 | 7% | 0.073 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.3 | -43.7 | 176.5 | -179.2 | 63 | 0 | 0 | 0 | 111.6 | S121 L122 V123 I128 R129 L227 | S121-L125 WeakPolarHBondContact O-CB 3.38Å; S121-L125 PolarHBondContact O-N 3.3Å; L122-L125 WeakPolarHBondContact O-CB 3.42Å; L122-L125 PolarHBondContact O-N 3.36Å; L122-L125 VanDerWaalsContact O-N 3.13Å; V123-L125 VanDerWaalsContact C-N 3.34Å; V123-L125 PolarHBondContact O-N 2.89Å; L125-I128 PolarHBondContact O-N 3.37Å; L125-R129 HydrophobicContact CD1-CG 4.17Å; L125-R129 WeakPolarHBondContact O-CB 3.17Å; L125-R129 WeakPolarHBondContact O-CG 3.12Å; L125-R129 PolarHBondContact O-N 2.99Å; L125-L227 HydrophobicContact CB-CD2 4.21Å; L125-L227 HydrophobicContact CB-CG 4.4Å; L125-L227 HydrophobicContact CD1-CD2 4.08Å; L125-L227 HydrophobicContact CD1-CG 4.24Å |
| 126 | I | 88.9 | Confident | 84.3 | Confident | 58 Ų | 58 | 61.6 Ų | 61.6 | 30% | 0.297 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.4 | -50.7 | 178 | -66.8 | 165.6 | 0 | 0 | 0 | 110.7 | L122 V123 R124 I128 R129 R130 V134 F138 | L122-I126 HydrophobicContact CD1-CD1 4.47Å; L122-I126 HydrophobicContact CG-CD1 4.13Å; L122-I126 WeakPolarHBondContact O-CG1 3.38Å; L122-I126 PolarHBondContact O-N 3.07Å; V123-I126 PolarHBondContact O-N 3.12Å; R124-I126 VanDerWaalsContact C-N 3.33Å; R124-I126 PolarHBondContact O-N 3.47Å; I126-I128 PolarHBondContact O-N 3.27Å; I126-R129 PolarHBondContact O-N 3.42Å; I126-R130 WeakPolarHBondContact O-CB 3.35Å; I126-R130 PolarHBondContact O-N 2.93Å; I126-V134 HydrophobicContact CG2-CG1 3.99Å; I126-F138 HydrophobicContact CB-CE2 4.48Å; I126-F138 HydrophobicContact CD1-CZ 4.49Å; I126-F138 HydrophobicContact CG2-CE2 3.98Å; I126-F138 HydrophobicContact CG2-CZ 4.22Å |
| 127 | V | 85.7 | Confident | 83.7 | Confident | 33 Ų | 33 | 67.5 Ų | 67.5 | 20% | 0.2 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.9 | -30.9 | -180 | 169.6 | 0 | 0 | 0 | 0 | 112.3 | V123 R124 F138 | V123-V127 HydrophobicContact CG1-CG2 4.3Å; V123-V127 WeakPolarHBondContact O-CB 3.14Å; V123-V127 WeakPolarHBondContact O-CG2 3.33Å; V123-V127 PolarHBondContact O-N 3.23Å; R124-V127 PolarHBondContact O-N 2.82Å; V127-F138 HydrophobicContact CG2-CD2 3.42Å; V127-F138 VanDerWaalsContact CG2-CD2 3.42Å; V127-F138 HydrophobicContact CG2-CE2 3.75Å; V127-F138 HydrophobicContact CG2-CG 4.4Å |
| 128 | I | 82.2 | Confident | 83.2 | Confident | 23 Ų | 23 | 68.7 Ų | 68.7 | 12% | 0.118 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -78.5 | -39.8 | 178.1 | -75.7 | 177.8 | 0 | 0 | 0 | 111.9 | R124 L125 I126 L227 F230 T258 | R124-I128 HydrophobicContact CG-CD1 3.82Å; R124-I128 HydrophobicContact CG-CG1 4.44Å; R124-I128 WeakPolarHBondContact O-CB 3.33Å; R124-I128 VanDerWaalsContact O-CG1 3.25Å; R124-I128 WeakPolarHBondContact O-CG1 3.46Å; R124-I128 PolarHBondContact O-N 3.16Å; L125-I128 PolarHBondContact O-N 3.37Å; I126-I128 PolarHBondContact O-N 3.27Å; I128-L227 HydrophobicContact CD1-CD2 3.76Å; I128-F230 HydrophobicContact CG2-CD1 3.31Å; I128-F230 HydrophobicContact CG2-CD2 3.88Å; I128-F230 HydrophobicContact CG2-CE1 3.09Å; I128-F230 HydrophobicContact CG2-CE2 3.67Å; I128-F230 HydrophobicContact CG2-CG 3.71Å; I128-F230 HydrophobicContact CG2-CZ 3.28Å; I128-T258 HydrophobicContact CD1-CG2 3.43Å; I128-T258 VanDerWaalsContact CD1-CG2 3.43Å |
| 129 | R | 83.4 | Confident | 82.9 | Confident | 154 Ų | 154 | 71.7 Ų | 71.7 | 58% | 0.581 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -79.1 | -40.6 | -177.6 | -75.8 | -173 | 171.7 | 180 | 2.2 | 112.9 | L125 I126 | L125-R129 HydrophobicContact CD1-CG 4.17Å; L125-R129 WeakPolarHBondContact O-CB 3.17Å; L125-R129 WeakPolarHBondContact O-CG 3.12Å; L125-R129 PolarHBondContact O-N 2.99Å; I126-R129 PolarHBondContact O-N 3.42Å |
| 130 | R | 75 | Confident | 82.6 | Confident | 173 Ų | 173 | 72.3 Ų | 72.3 | 65% | 0.653 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -94.7 | 133.6 | 178.4 | -61.5 | -165.5 | 167.8 | -152.5 | -2.5 | 108.5 | I126 V134 | I126-R130 WeakPolarHBondContact O-CB 3.35Å; I126-R130 PolarHBondContact O-N 2.93Å; R130-V134 HydrophobicContact CB-CB 4.21Å; R130-V134 HydrophobicContact CB-CG2 3.62Å |
| 131 | K | 63.5 | Low | 82.5 | Confident | 181 Ų | 181 | 74.6 Ų | 74.6 | 79% | 0.787 | 37% | 0.373 | S | S | * | . | trans | -49.7 | 163.1 | -174.6 | -68 | -178.2 | 179.5 | 178.1 | 0 | 112.5 | D133 V134 | K131-D133 PolarHBondContact O-N 3.35Å; K131-V134 PolarHBondContact O-N 2.92Å; K131-V134 VanDerWaalsContact O-N 3.07Å | ||
| 132 | Q | 62.8 | Low | 82.5 | Confident | 166 Ų | 166 | 78 Ų | 78 | 78% | 0.776 | 39% | 0.388 | S | S | * | . | G | 310 helix | trans | -42.5 | -30.7 | -173.2 | -102.1 | 167.5 | -51.6 | 0 | 0 | 115.3 | V134 S135 | Q132-V134 PolarHBondContact O-N 2.85Å; Q132-S135 VanDerWaalsContact O-CB 3.31Å; Q132-S135 WeakPolarHBondContact O-CB 3.48Å; Q132-S135 PolarHBondContact O-N 2.93Å; Q132-S135 PolarHBondContact O-OG 2.81Å |
| 133 | D | 67.8 | Low | 82.5 | Confident | 122 Ų | 122 | 74.8 Ų | 74.8 | 65% | 0.652 | 37% | 0.372 | S | S | * | . | G | 310 helix | trans | -55.9 | -35.6 | -179.7 | -49.7 | -31.7 | 0 | 0 | 0 | 113.2 | K131 S135 L136 | K131-D133 PolarHBondContact O-N 3.35Å; D133-S135 VanDerWaalsContact C-N 3.25Å; D133-S135 PolarHBondContact O-N 3.45Å; D133-L136 WeakPolarHBondContact O-CB 3.33Å; D133-L136 PolarHBondContact O-N 3.37Å |
| 134 | V | 74.8 | Confident | 82.7 | Confident | 39 Ų | 39 | 76.9 Ų | 76.9 | 24% | 0.236 | 38% | 0.384 | C | S | . | . | G | 310 helix | trans | -70.7 | -23.8 | 179.6 | -175.8 | 0 | 0 | 0 | 0 | 112.1 | I126 R130 K131 Q132 L136 L137 F138 | I126-V134 HydrophobicContact CG2-CG1 3.99Å; R130-V134 HydrophobicContact CB-CB 4.21Å; R130-V134 HydrophobicContact CB-CG2 3.62Å; K131-V134 PolarHBondContact O-N 2.92Å; K131-V134 VanDerWaalsContact O-N 3.07Å; Q132-V134 PolarHBondContact O-N 2.85Å; V134-L136 PolarHBondContact O-N 3.2Å; V134-L137 WeakPolarHBondContact O-CB 3.35Å; V134-L137 PolarHBondContact O-N 3.27Å; V134-L137 VanDerWaalsContact O-N 3.07Å; V134-F138 HydrophobicContact CG1-CD2 4.36Å; V134-F138 HydrophobicContact CG1-CE2 3.79Å; V134-F138 WeakPolarHBondContact O-CD2 3.5Å |
| 135 | S | 74.7 | Confident | 83 | Confident | 51 Ų | 51 | 82.5 Ų | 82.5 | 36% | 0.357 | 41% | 0.406 | S | S | . | . | G | 310 helix | trans | -64.6 | -24.1 | 177.1 | 73.2 | 0 | 0 | 0 | 0 | 112.9 | Q132 D133 L137 F138 | Q132-S135 VanDerWaalsContact O-CB 3.31Å; Q132-S135 WeakPolarHBondContact O-CB 3.48Å; Q132-S135 PolarHBondContact O-N 2.93Å; Q132-S135 PolarHBondContact O-OG 2.81Å; D133-S135 VanDerWaalsContact C-N 3.25Å; D133-S135 PolarHBondContact O-N 3.45Å; S135-L137 VanDerWaalsContact C-N 3.27Å; S135-L137 PolarHBondContact O-N 3.08Å; S135-F138 PolarHBondContact O-N 3.35Å |
| 136 | L | 78.2 | Confident | 83.4 | Confident | 134 Ų | 134 | 83.7 Ų | 83.7 | 70% | 0.702 | 41% | 0.412 | S | S | * | . | G | 310 helix | trans | -69.7 | -25.3 | 175.4 | -66.7 | 162.7 | 0 | 0 | 0 | 112.3 | D133 V134 T139 | D133-L136 WeakPolarHBondContact O-CB 3.33Å; D133-L136 PolarHBondContact O-N 3.37Å; V134-L136 PolarHBondContact O-N 3.2Å; L136-T139 VanDerWaalsContact O-CG2 3.31Å; L136-T139 WeakPolarHBondContact O-CG2 3.46Å |
| 137 | L | 82.7 | Confident | 83.8 | Confident | 123 Ų | 123 | 82.6 Ų | 82.6 | 64% | 0.644 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -35.1 | 177.3 | -157.5 | 77.8 | 0 | 0 | 0 | 111.4 | V134 S135 T139 | V134-L137 WeakPolarHBondContact O-CB 3.35Å; V134-L137 PolarHBondContact O-N 3.27Å; V134-L137 VanDerWaalsContact O-N 3.07Å; S135-L137 VanDerWaalsContact C-N 3.27Å; S135-L137 PolarHBondContact O-N 3.08Å; L137-T139 VanDerWaalsContact C-N 3.28Å; L137-T139 PolarHBondContact O-N 3.11Å |
| 138 | F | 86.8 | Confident | 84.3 | Confident | 26 Ų | 26 | 85.7 Ų | 85.7 | 11% | 0.114 | 42% | 0.418 | C | S | . | . | S | Bend | trans | -84.1 | 74.7 | 178.3 | -61.8 | -67.5 | 0 | 0 | 0 | 110 | A52 V123 I126 V127 V134 S135 F142 | A52-F138 HydrophobicContact CB-CB 4.13Å; A52-F138 WeakPolarHBondContact CB-O 3.33Å; V123-F138 HydrophobicContact CB-CE1 4.38Å; V123-F138 HydrophobicContact CG1-CB 4.3Å; V123-F138 HydrophobicContact CG1-CD1 3.67Å; V123-F138 HydrophobicContact CG1-CD2 3.93Å; V123-F138 HydrophobicContact CG1-CE1 3.9Å; V123-F138 HydrophobicContact CG1-CE2 4.1Å; V123-F138 HydrophobicContact CG1-CG 3.69Å; V123-F138 HydrophobicContact CG1-CZ 4.1Å; V123-F138 HydrophobicContact CG2-CD1 4.08Å; V123-F138 HydrophobicContact CG2-CE1 3.73Å; V123-F138 HydrophobicContact CG2-CZ 4.23Å; I126-F138 HydrophobicContact CB-CE2 4.48Å; I126-F138 HydrophobicContact CD1-CZ 4.49Å; I126-F138 HydrophobicContact CG2-CE2 3.98Å; I126-F138 HydrophobicContact CG2-CZ 4.22Å; V127-F138 HydrophobicContact CG2-CD2 3.42Å; V127-F138 VanDerWaalsContact CG2-CD2 3.42Å; V127-F138 HydrophobicContact CG2-CE2 3.75Å; V127-F138 HydrophobicContact CG2-CG 4.4Å; V134-F138 HydrophobicContact CG1-CD2 4.36Å; V134-F138 HydrophobicContact CG1-CE2 3.79Å; V134-F138 WeakPolarHBondContact O-CD2 3.5Å; S135-F138 PolarHBondContact O-N 3.35Å; F138-F142 AromaticContact CD1-CD1 3.82Å; F138-F142 HydrophobicContact CD1-CD1 3.82Å; F138-F142 AromaticContact CD1-CE1 3.66Å; F138-F142 HydrophobicContact CD1-CE1 3.66Å; F138-F142 HydrophobicContact CE1-CD1 4.44Å; F138-F142 AromaticContact CE1-CE1 3.85Å; F138-F142 HydrophobicContact CE1-CE1 3.85Å |
| 139 | T | 90.2 | Very high | 85.1 | Confident | 63 Ų | 63 | 92.3 Ų | 92.3 | 39% | 0.387 | 44% | 0.443 | S | S | . | . | trans | -81.8 | 160.6 | 173 | 61.5 | 0 | 0 | 0 | 0 | 111.3 | L136 L137 A141 F142 I143 | L136-T139 VanDerWaalsContact O-CG2 3.31Å; L136-T139 WeakPolarHBondContact O-CG2 3.46Å; L137-T139 VanDerWaalsContact C-N 3.28Å; L137-T139 PolarHBondContact O-N 3.11Å; T139-A141 PolarHBondContact O-N 3.47Å; T139-F142 WeakPolarHBondContact O-CB 3.36Å; T139-F142 PolarHBondContact O-N 3.45Å; T139-F142 VanDerWaalsContact O-N 3.1Å; T139-F142 WeakPolarHBondContact OG1-CB 3.31Å; T139-F142 PolarHBondContact OG1-N 3.38Å; T139-F142 VanDerWaalsContact OG1-N 3.15Å; T139-I143 WeakPolarHBondContact O-CG1 3.3Å; T139-I143 PolarHBondContact O-N 3.26Å; T139-I143 VanDerWaalsContact O-N 3.09Å | ||
| 140 | T | 89.3 | Confident | 85.7 | Confident | 49 Ų | 49 | 85.8 Ų | 85.8 | 30% | 0.301 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -55.9 | -40.9 | 172.7 | 49.9 | 0 | 0 | 0 | 0 | 111.8 | R50 M55 F142 I143 T144 | R50-T140 HydrophobicContact CB-CG2 4.48Å; M55-T140 HydrophobicContact CB-CG2 4.32Å; M55-T140 HydrophobicContact CE-CG2 4.16Å; T140-F142 VanDerWaalsContact C-N 3.34Å; T140-F142 PolarHBondContact O-N 2.89Å; T140-I143 PolarHBondContact O-N 3.33Å; T140-T144 PolarHBondContact O-N 3.5Å; T140-T144 PolarHBondContact O-OG1 3.24Å; T140-T144 VanDerWaalsContact O-OG1 3.09Å |
| 141 | A | 91.7 | Very high | 86.8 | Confident | 53 Ų | 53 | 78.6 Ų | 78.6 | 44% | 0.438 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.4 | -35.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T139 R145 | T139-A141 PolarHBondContact O-N 3.47Å; A141-R145 WeakPolarHBondContact O-CG 3.44Å; A141-R145 PolarHBondContact O-N 3.21Å; A141-R145 VanDerWaalsContact O-N 3.08Å; A141-R145 PolarHBondContact O-NE 3.27Å |
| 142 | F | 93.4 | Very high | 88.4 | Confident | 70 Ų | 70 | 74.4 Ų | 74.4 | 31% | 0.307 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -64.3 | -45.4 | 172.5 | 175.7 | -96.8 | 0 | 0 | 0 | 111.1 | F138 T139 T140 T144 R145 L146 | F138-F142 AromaticContact CD1-CD1 3.82Å; F138-F142 HydrophobicContact CD1-CD1 3.82Å; F138-F142 AromaticContact CD1-CE1 3.66Å; F138-F142 HydrophobicContact CD1-CE1 3.66Å; F138-F142 HydrophobicContact CE1-CD1 4.44Å; F138-F142 AromaticContact CE1-CE1 3.85Å; F138-F142 HydrophobicContact CE1-CE1 3.85Å; T139-F142 WeakPolarHBondContact O-CB 3.36Å; T139-F142 PolarHBondContact O-N 3.45Å; T139-F142 VanDerWaalsContact O-N 3.1Å; T139-F142 WeakPolarHBondContact OG1-CB 3.31Å; T139-F142 PolarHBondContact OG1-N 3.38Å; T139-F142 VanDerWaalsContact OG1-N 3.15Å; T140-F142 VanDerWaalsContact C-N 3.34Å; T140-F142 PolarHBondContact O-N 2.89Å; F142-T144 PolarHBondContact O-N 2.91Å; F142-R145 PolarHBondContact O-N 3.38Å; F142-L146 HydrophobicContact CE1-CD2 4.39Å; F142-L146 WeakPolarHBondContact O-CB 3.44Å; F142-L146 PolarHBondContact O-N 3.45Å |
| 143 | I | 94.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 178 | -56 | -49.1 | 0 | 0 | 0 | 111.7 | A52 M55 F56 I59 T139 T140 R145 L146 F147 | A52-I143 HydrophobicContact CB-CD1 4.29Å; A52-I143 HydrophobicContact CB-CG1 3.76Å; M55-I143 HydrophobicContact CB-CB 4.45Å; M55-I143 HydrophobicContact CB-CG2 4.31Å; M55-I143 HydrophobicContact CG-CB 4.05Å; M55-I143 HydrophobicContact CG-CG2 3.91Å; F56-I143 HydrophobicContact CD1-CG2 3.97Å; F56-I143 HydrophobicContact CD2-CD1 4.06Å; F56-I143 HydrophobicContact CD2-CG1 4.31Å; F56-I143 HydrophobicContact CD2-CG2 4.08Å; F56-I143 HydrophobicContact CE1-CG2 4.03Å; F56-I143 HydrophobicContact CE2-CD1 3.33Å; F56-I143 HydrophobicContact CE2-CG1 4.06Å; F56-I143 HydrophobicContact CE2-CG2 4.17Å; F56-I143 HydrophobicContact CG-CG2 3.99Å; F56-I143 HydrophobicContact CZ-CD1 3.62Å; F56-I143 HydrophobicContact CZ-CG2 4.15Å; I59-I143 HydrophobicContact CD1-CG2 4.14Å; T139-I143 WeakPolarHBondContact O-CG1 3.3Å; T139-I143 PolarHBondContact O-N 3.26Å; T139-I143 VanDerWaalsContact O-N 3.09Å; T140-I143 PolarHBondContact O-N 3.33Å; I143-R145 PolarHBondContact O-N 3.07Å; I143-L146 WeakPolarHBondContact O-CB 3.36Å; I143-L146 PolarHBondContact O-N 2.98Å; I143-F147 PolarHBondContact O-N 3.5Å |
| 144 | T | 93.9 | Very high | 91.5 | Very high | 58 Ų | 58 | 63.3 Ų | 63.3 | 36% | 0.356 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 176.6 | -54.6 | 0 | 0 | 0 | 0 | 111.7 | T140 F142 F147 M148 | T140-T144 PolarHBondContact O-N 3.5Å; T140-T144 PolarHBondContact O-OG1 3.24Å; T140-T144 VanDerWaalsContact O-OG1 3.09Å; F142-T144 PolarHBondContact O-N 2.91Å; T144-F147 WeakPolarHBondContact O-CB 3.44Å; T144-F147 PolarHBondContact O-N 2.97Å; T144-M148 WeakPolarHBondContact O-CG 3.45Å; T144-M148 PolarHBondContact O-N 3.45Å |
| 145 | R | 95.8 | Very high | 92.5 | Very high | 143 Ų | 143 | 63.9 Ų | 63.9 | 54% | 0.54 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 175.4 | -74.3 | -175.8 | -68.4 | -177.6 | 0.5 | 112.3 | A141 F142 I143 F147 M148 Y149 | A141-R145 WeakPolarHBondContact O-CG 3.44Å; A141-R145 PolarHBondContact O-N 3.21Å; A141-R145 VanDerWaalsContact O-N 3.08Å; A141-R145 PolarHBondContact O-NE 3.27Å; F142-R145 PolarHBondContact O-N 3.38Å; I143-R145 PolarHBondContact O-N 3.07Å; R145-F147 VanDerWaalsContact C-N 3.3Å; R145-F147 PolarHBondContact O-N 3.47Å; R145-M148 PolarHBondContact O-N 3.29Å; R145-M148 VanDerWaalsContact O-N 3.17Å; R145-Y149 HydrophobicContact CB-CE2 4.2Å; R145-Y149 WeakPolarHBondContact O-CD2 3.39Å; R145-Y149 PolarHBondContact O-N 2.94Å |
| 146 | L | 96.1 | Very high | 93.6 | Very high | 39 Ų | 39 | 66.4 Ų | 66.4 | 20% | 0.204 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -57.7 | -44.7 | 175.5 | 179.1 | 63.7 | 0 | 0 | 0 | 111.3 | F56 L119 F142 I143 Y149 L150 | F56-L146 HydrophobicContact CE1-CD2 4.38Å; F56-L146 HydrophobicContact CZ-CD2 4.11Å; L119-L146 HydrophobicContact CD1-CD1 4.32Å; L119-L146 HydrophobicContact CD1-CD2 4.14Å; L119-L146 HydrophobicContact CD1-CG 4.24Å; F142-L146 HydrophobicContact CE1-CD2 4.39Å; F142-L146 WeakPolarHBondContact O-CB 3.44Å; F142-L146 PolarHBondContact O-N 3.45Å; I143-L146 WeakPolarHBondContact O-CB 3.36Å; I143-L146 PolarHBondContact O-N 2.98Å; L146-Y149 PolarHBondContact O-N 2.81Å; L146-L150 WeakPolarHBondContact O-CB 3.18Å; L146-L150 PolarHBondContact O-N 3.45Å |
| 147 | F | 97.2 | Very high | 94.4 | Very high | 34 Ų | 34 | 63.7 Ų | 63.7 | 15% | 0.149 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.3 | -46 | 174.1 | 165.5 | -108.7 | 0 | 0 | 0 | 112.2 | I59 I63 I112 L116 I143 T144 R145 Y149 L150 A151 | I59-F147 HydrophobicContact CD1-CB 3.96Å; I59-F147 HydrophobicContact CD1-CG 4.23Å; I59-F147 HydrophobicContact CG2-CB 4.4Å; I59-F147 HydrophobicContact CG2-CD1 4.28Å; I59-F147 HydrophobicContact CG2-CD2 3.46Å; I59-F147 VanDerWaalsContact CG2-CD2 3.46Å; I59-F147 HydrophobicContact CG2-CE1 4.46Å; I59-F147 HydrophobicContact CG2-CE2 3.65Å; I59-F147 HydrophobicContact CG2-CG 3.78Å; I59-F147 HydrophobicContact CG2-CZ 4.16Å; I63-F147 HydrophobicContact CD1-CE2 3.9Å; I63-F147 HydrophobicContact CD1-CZ 4.04Å; I63-F147 HydrophobicContact CG1-CE2 4.21Å; I112-F147 HydrophobicContact CG2-CD2 4.16Å; I112-F147 HydrophobicContact CG2-CE2 3.77Å; L116-F147 HydrophobicContact CD1-CD2 3.96Å; L116-F147 HydrophobicContact CD1-CE2 4.37Å; L116-F147 HydrophobicContact CD2-CB 4.43Å; L116-F147 HydrophobicContact CD2-CD2 4.33Å; I143-F147 PolarHBondContact O-N 3.5Å; T144-F147 WeakPolarHBondContact O-CB 3.44Å; T144-F147 PolarHBondContact O-N 2.97Å; R145-F147 VanDerWaalsContact C-N 3.3Å; R145-F147 PolarHBondContact O-N 3.47Å; F147-Y149 PolarHBondContact O-N 3.33Å; F147-L150 PolarHBondContact O-N 3.17Å; F147-A151 WeakPolarHBondContact O-CB 3.47Å; F147-A151 PolarHBondContact O-N 2.96Å |
| 148 | M | 97.2 | Very high | 95 | Very high | 99 Ų | 99 | 58 Ų | 58 | 49% | 0.488 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 178.7 | -66.2 | -57.1 | -65.1 | 0 | 0 | 112 | T144 R145 L150 A151 I152 | T144-M148 WeakPolarHBondContact O-CG 3.45Å; T144-M148 PolarHBondContact O-N 3.45Å; R145-M148 PolarHBondContact O-N 3.29Å; R145-M148 VanDerWaalsContact O-N 3.17Å; M148-L150 VanDerWaalsContact C-N 3.34Å; M148-L150 PolarHBondContact O-N 3.15Å; M148-A151 PolarHBondContact O-N 3.29Å; M148-I152 WeakPolarHBondContact O-CD1 3.41Å; M148-I152 VanDerWaalsContact O-CG1 3.28Å; M148-I152 WeakPolarHBondContact O-CG1 3.33Å; M148-I152 PolarHBondContact O-N 3.05Å |
| 149 | Y | 97.6 | Very high | 95.4 | Very high | 161 Ų | 161 | 61.2 Ų | 61.2 | 63% | 0.631 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -63.6 | -40.2 | 177 | -65.6 | -50.5 | 0 | 0 | 0 | 112.4 | R145 L146 F147 S153 | R145-Y149 HydrophobicContact CB-CE2 4.2Å; R145-Y149 WeakPolarHBondContact O-CD2 3.39Å; R145-Y149 PolarHBondContact O-N 2.94Å; L146-Y149 PolarHBondContact O-N 2.81Å; F147-Y149 PolarHBondContact O-N 3.33Å; Y149-S153 WeakPolarHBondContact O-CB 3.38Å; Y149-S153 PolarHBondContact O-N 3.1Å; Y149-S153 PolarHBondContact O-OG 3.09Å |
| 150 | L | 97.7 | Very high | 95.6 | Very high | 17 Ų | 17 | 58.9 Ų | 58.9 | 9% | 0.089 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 175.6 | 178.3 | 65.7 | 0 | 0 | 0 | 111.8 | I112 W115 L116 L119 L146 F147 M148 I152 S153 V154 | I112-L150 HydrophobicContact CG2-CD2 4.37Å; W115-L150 HydrophobicContact CB-CD1 3.7Å; W115-L150 HydrophobicContact CB-CD2 3.63Å; W115-L150 HydrophobicContact CB-CG 4.25Å; W115-L150 HydrophobicContact CD2-CD1 4.45Å; W115-L150 HydrophobicContact CG-CD1 3.93Å; L116-L150 HydrophobicContact CD2-CD2 4.01Å; L116-L150 HydrophobicContact CG-CD2 3.89Å; L119-L150 HydrophobicContact CD1-CD2 4.23Å; L146-L150 WeakPolarHBondContact O-CB 3.18Å; L146-L150 PolarHBondContact O-N 3.45Å; F147-L150 PolarHBondContact O-N 3.17Å; M148-L150 VanDerWaalsContact C-N 3.34Å; M148-L150 PolarHBondContact O-N 3.15Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 2.96Å; L150-S153 PolarHBondContact O-N 2.94Å; L150-S153 PolarHBondContact O-OG 3.01Å; L150-V154 HydrophobicContact CD1-CG2 4.04Å; L150-V154 HydrophobicContact CG-CG2 4.42Å; L150-V154 WeakPolarHBondContact O-CB 3.4Å; L150-V154 VanDerWaalsContact O-CG2 3.31Å; L150-V154 WeakPolarHBondContact O-CG2 3.37Å; L150-V154 PolarHBondContact O-N 3.09Å |
| 151 | A | 97.6 | Very high | 95.7 | Very high | 23 Ų | 23 | 57.4 Ų | 57.4 | 19% | 0.19 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | I112 F147 M148 A155 | I112-A151 HydrophobicContact CD1-CB 4.05Å; F147-A151 WeakPolarHBondContact O-CB 3.47Å; F147-A151 PolarHBondContact O-N 2.96Å; M148-A151 PolarHBondContact O-N 3.29Å; A151-A155 VanDerWaalsContact O-CB 3.3Å; A151-A155 WeakPolarHBondContact O-CB 3.36Å; A151-A155 PolarHBondContact O-N 3.15Å |
| 152 | I | 97.5 | Very high | 95.8 | Very high | 93 Ų | 93 | 56.9 Ų | 56.9 | 48% | 0.477 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.6 | -45 | 176.8 | -66.9 | 165.2 | 0 | 0 | 0 | 111 | M148 L150 A155 I156 | M148-I152 WeakPolarHBondContact O-CD1 3.41Å; M148-I152 VanDerWaalsContact O-CG1 3.28Å; M148-I152 WeakPolarHBondContact O-CG1 3.33Å; M148-I152 PolarHBondContact O-N 3.05Å; L150-I152 VanDerWaalsContact C-N 3.33Å; L150-I152 PolarHBondContact O-N 2.96Å; I152-A155 PolarHBondContact O-N 2.99Å; I152-I156 HydrophobicContact CG2-CD1 3.91Å; I152-I156 WeakPolarHBondContact O-CG1 3.31Å; I152-I156 PolarHBondContact O-N 3.4Å |
| 153 | S | 97.3 | Very high | 95.9 | Very high | 52 Ų | 52 | 57.8 Ų | 57.8 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | -179 | 68.1 | 0 | 0 | 0 | 0 | 112.3 | Y149 L150 I156 L157 | Y149-S153 WeakPolarHBondContact O-CB 3.38Å; Y149-S153 PolarHBondContact O-N 3.1Å; Y149-S153 PolarHBondContact O-OG 3.09Å; L150-S153 PolarHBondContact O-N 2.94Å; L150-S153 PolarHBondContact O-OG 3.01Å; S153-I156 PolarHBondContact O-N 3.33Å; S153-L157 WeakPolarHBondContact O-CG 3.45Å; S153-L157 PolarHBondContact O-N 3.39Å |
| 154 | V | 97.7 | Very high | 96 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.018 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 175.9 | 174.7 | 0 | 0 | 0 | 0 | 111 | V108 T111 I112 L150 I156 L157 S158 F212 | V108-V154 HydrophobicContact CB-CG1 4.42Å; V108-V154 HydrophobicContact CG1-CG1 4.11Å; V108-V154 HydrophobicContact CG2-CG1 4.49Å; T111-V154 HydrophobicContact CG2-CB 4.47Å; T111-V154 HydrophobicContact CG2-CG1 3.76Å; T111-V154 HydrophobicContact CG2-CG2 3.78Å; I112-V154 HydrophobicContact CG1-CB 4.02Å; I112-V154 HydrophobicContact CG1-CG1 4.09Å; I112-V154 HydrophobicContact CG1-CG2 4.06Å; L150-V154 HydrophobicContact CD1-CG2 4.04Å; L150-V154 HydrophobicContact CG-CG2 4.42Å; L150-V154 WeakPolarHBondContact O-CB 3.4Å; L150-V154 VanDerWaalsContact O-CG2 3.31Å; L150-V154 WeakPolarHBondContact O-CG2 3.37Å; L150-V154 PolarHBondContact O-N 3.09Å; V154-I156 PolarHBondContact O-N 3.45Å; V154-L157 PolarHBondContact O-N 3.19Å; V154-S158 WeakPolarHBondContact O-CB 3.09Å; V154-S158 PolarHBondContact O-N 2.95Å; V154-S158 PolarHBondContact O-OG 3.21Å; V154-F212 HydrophobicContact CG1-CZ 4.3Å |
| 155 | A | 96.3 | Very high | 96 | Very high | 51 Ų | 51 | 56.8 Ų | 56.8 | 42% | 0.421 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.8 | -44.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | A151 I152 S158 I159 | A151-A155 VanDerWaalsContact O-CB 3.3Å; A151-A155 WeakPolarHBondContact O-CB 3.36Å; A151-A155 PolarHBondContact O-N 3.15Å; I152-A155 PolarHBondContact O-N 2.99Å; A155-S158 PolarHBondContact O-N 3.42Å; A155-I159 PolarHBondContact O-N 3.46Å |
| 156 | I | 96.2 | Very high | 95.9 | Very high | 103 Ų | 103 | 55.2 Ų | 55.2 | 53% | 0.528 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.6 | -46.9 | 176.8 | -67.5 | 166.4 | 0 | 0 | 0 | 110.9 | I152 S153 V154 S158 I159 | I152-I156 HydrophobicContact CG2-CD1 3.91Å; I152-I156 WeakPolarHBondContact O-CG1 3.31Å; I152-I156 PolarHBondContact O-N 3.4Å; S153-I156 PolarHBondContact O-N 3.33Å; V154-I156 PolarHBondContact O-N 3.45Å; I156-S158 PolarHBondContact O-N 3.31Å; I156-I159 HydrophobicContact CG2-CD1 4.49Å; I156-I159 WeakPolarHBondContact O-CB 3.42Å; I156-I159 WeakPolarHBondContact O-CG1 3.38Å; I156-I159 PolarHBondContact O-N 2.96Å |
| 157 | L | 96.2 | Very high | 95.8 | Very high | 77 Ų | 77 | 54.4 Ų | 54.4 | 40% | 0.403 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -66.7 | -17.8 | 179 | -70.2 | 174.7 | 0 | 0 | 0 | 113.2 | S153 V154 P160 I207 F212 | S153-L157 WeakPolarHBondContact O-CG 3.45Å; S153-L157 PolarHBondContact O-N 3.39Å; V154-L157 PolarHBondContact O-N 3.19Å; L157-P160 VanDerWaalsContact O-CD 3.29Å; L157-P160 WeakPolarHBondContact O-CD 3.46Å; L157-I207 HydrophobicContact CB-CG2 4.43Å; L157-F212 HydrophobicContact CB-CE1 3.62Å; L157-F212 HydrophobicContact CB-CZ 3.65Å; L157-F212 HydrophobicContact CD1-CE1 4.01Å; L157-F212 HydrophobicContact CG-CE1 4.48Å |
| 158 | S | 95.9 | Very high | 95.6 | Very high | 5 Ų | 5 | 53.3 Ų | 53.3 | 4% | 0.035 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -90.5 | -7.4 | 178.8 | -56.6 | 0 | 0 | 0 | 0 | 113.6 | V108 V154 A155 I156 P160 H161 A162 F212 | V108-S158 WeakPolarHBondContact CG2-OG 3.48Å; V154-S158 WeakPolarHBondContact O-CB 3.09Å; V154-S158 PolarHBondContact O-N 2.95Å; V154-S158 PolarHBondContact O-OG 3.21Å; A155-S158 PolarHBondContact O-N 3.42Å; I156-S158 PolarHBondContact O-N 3.31Å; S158-P160 VanDerWaalsContact C-CD 3.44Å; S158-P160 VanDerWaalsContact C-N 3.35Å; S158-H161 VanDerWaalsContact O-CB 3.28Å; S158-H161 WeakPolarHBondContact O-CB 3.26Å; S158-H161 PolarHBondContact O-N 3.11Å; S158-A162 PolarHBondContact O-N 3Å; S158-A162 VanDerWaalsContact O-N 3.17Å; S158-F212 WeakPolarHBondContact OG-CE2 3.22Å; S158-F212 WeakPolarHBondContact OG-CZ 3.24Å |
| 159 | I | 94.5 | Very high | 95.4 | Very high | 93 Ų | 93 | 52.5 Ų | 52.5 | 48% | 0.477 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -53.2 | -45.6 | 175.2 | -64.9 | 169.8 | 0 | 0 | 0 | 112.2 | A155 I156 H161 A162 L163 | A155-I159 PolarHBondContact O-N 3.46Å; I156-I159 HydrophobicContact CG2-CD1 4.49Å; I156-I159 WeakPolarHBondContact O-CB 3.42Å; I156-I159 WeakPolarHBondContact O-CG1 3.38Å; I156-I159 PolarHBondContact O-N 2.96Å; I159-H161 VanDerWaalsContact C-N 3.25Å; I159-H161 PolarHBondContact O-N 3.29Å; I159-A162 PolarHBondContact O-N 3.43Å; I159-A162 VanDerWaalsContact O-N 3.16Å; I159-L163 HydrophobicContact CG2-CD1 3.95Å; I159-L163 HydrophobicContact CG2-CG 4.39Å; I159-L163 WeakPolarHBondContact O-CG 3.31Å; I159-L163 PolarHBondContact O-N 3.37Å; I159-L163 VanDerWaalsContact O-N 3.13Å |
| 160 | P | 93.9 | Very high | 94.8 | Very high | 14 Ų | 14 | 49.3 Ų | 49.3 | 9% | 0.091 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -56.4 | -39.5 | 176.5 | -25.7 | 36.5 | 0 | 0 | 0 | 113 | L157 S158 L163 T164 L200 M203 T204 I207 | L157-P160 VanDerWaalsContact O-CD 3.29Å; L157-P160 WeakPolarHBondContact O-CD 3.46Å; S158-P160 VanDerWaalsContact C-CD 3.44Å; S158-P160 VanDerWaalsContact C-N 3.35Å; P160-L163 PolarHBondContact O-N 2.87Å; P160-T164 PolarHBondContact O-N 3.44Å; P160-T164 PolarHBondContact O-OG1 3.24Å; P160-L200 HydrophobicContact CB-CD1 3.8Å; P160-M203 HydrophobicContact CB-CE 3.69Å; P160-M203 HydrophobicContact CG-CE 3.16Å; P160-T204 VanDerWaalsContact C-OG1 3.27Å; P160-T204 PolarHBondContact O-OG1 3.06Å; P160-I207 HydrophobicContact CG-CD1 4.14Å |
| 161 | H | 92.8 | Very high | 94.2 | Very high | 17 Ų | 17 | 53 Ų | 53 | 8% | 0.079 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61.2 | -50.1 | 177.1 | -164 | 147.2 | 0 | 0 | 0 | 110.3 | S158 I159 L163 T164 F165 T204 N208 | S158-H161 VanDerWaalsContact O-CB 3.28Å; S158-H161 WeakPolarHBondContact O-CB 3.26Å; S158-H161 PolarHBondContact O-N 3.11Å; I159-H161 VanDerWaalsContact C-N 3.25Å; I159-H161 PolarHBondContact O-N 3.29Å; H161-L163 PolarHBondContact O-N 3.29Å; H161-L163 VanDerWaalsContact O-N 3.16Å; H161-T164 WeakPolarHBondContact O-CB 3.5Å; H161-T164 PolarHBondContact O-N 3.02Å; H161-F165 AromaticContact CD2-CE2 3.97Å; H161-F165 AromaticContact NE2-CE2 3.78Å; H161-T204 HydrophobicContact CB-CG2 3.83Å; H161-T204 PolarHBondContact N-OG1 2.88Å; H161-N208 PolarHBondContact CE1-ND2 2.9Å; H161-N208 PolarHBondContact ND1-ND2 3.46Å |
| 162 | A | 93.5 | Very high | 93.2 | Very high | 43 Ų | 43 | 56.8 Ų | 56.8 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -58.5 | -31.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | V104 S158 I159 | V104-A162 HydrophobicContact CG1-CB 4.28Å; V104-A162 HydrophobicContact CG2-CB 4.11Å; S158-A162 PolarHBondContact O-N 3Å; S158-A162 VanDerWaalsContact O-N 3.17Å; I159-A162 PolarHBondContact O-N 3.43Å; I159-A162 VanDerWaalsContact O-N 3.16Å |
| 163 | L | 94.9 | Very high | 92.3 | Very high | 89 Ų | 89 | 57.6 Ų | 57.6 | 47% | 0.466 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -86.4 | -11.3 | 177.7 | -61.5 | 176.4 | 0 | 0 | 0 | 113.9 | I159 P160 H161 S190 L200 | I159-L163 HydrophobicContact CG2-CD1 3.95Å; I159-L163 HydrophobicContact CG2-CG 4.39Å; I159-L163 WeakPolarHBondContact O-CG 3.31Å; I159-L163 PolarHBondContact O-N 3.37Å; I159-L163 VanDerWaalsContact O-N 3.13Å; P160-L163 PolarHBondContact O-N 2.87Å; H161-L163 PolarHBondContact O-N 3.29Å; H161-L163 VanDerWaalsContact O-N 3.16Å; L163-S190 WeakPolarHBondContact O-CB 3.32Å; L163-S190 PolarHBondContact O-OG 3.28Å; L163-L200 HydrophobicContact CB-CD2 4.02Å |
| 164 | T | 95.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -74.6 | -34.1 | -173.8 | -64.9 | 0 | 0 | 0 | 0 | 112 | P160 H161 P189 S190 A193 L201 T204 | P160-T164 PolarHBondContact O-N 3.44Å; P160-T164 PolarHBondContact O-OG1 3.24Å; H161-T164 WeakPolarHBondContact O-CB 3.5Å; H161-T164 PolarHBondContact O-N 3.02Å; T164-P189 CarbonylContact O-C 3.59Å; T164-P189 WeakPolarHBondContact O-CA 3.34Å; T164-S190 PolarHBondContact O-N 3.42Å; T164-S190 PolarHBondContact O-OG 3.01Å; T164-A193 HydrophobicContact CG2-CB 4.08Å; T164-A193 WeakPolarHBondContact O-CB 3.46Å; T164-L201 HydrophobicContact CG2-CD1 3.6Å; T164-T204 PolarHBondContact OG1-OG1 2.93Å |
| 165 | F | 94.6 | Very high | 90 | Very high | 36 Ų | 36 | 65.4 Ų | 65.4 | 16% | 0.158 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 151.1 | -176.4 | -58.7 | -72.2 | 0 | 0 | 0 | 111.4 | L100 H161 M188 Y290 | L100-F165 HydrophobicContact CD1-CB 3.9Å; H161-F165 AromaticContact CD2-CE2 3.97Å; H161-F165 AromaticContact NE2-CE2 3.78Å; F165-M188 WeakPolarHBondContact CA-O 3.26Å; F165-Y290 WeakPolarHBondContact CZ-OH 3.34Å |
| 166 | R | 94.3 | Very high | 88.6 | Confident | 111 Ų | 111 | 70.2 Ų | 70.2 | 42% | 0.419 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 150.3 | 173 | 65 | 171.9 | -176.2 | 141.5 | 5.1 | 110.3 | V168 M188 | R166-V168 HydrophobicContact CG-CG1 3.9Å; R166-V168 VanDerWaalsContact CZ-CG1 3.47Å; R166-M188 PolarHBondContact N-O 2.86Å; R166-M188 PolarHBondContact O-N 3.39Å |
| 167 | V | 94.7 | Very high | 86.9 | Confident | 22 Ų | 22 | 67.9 Ų | 67.9 | 13% | 0.133 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 125.7 | 170.9 | -179.4 | 0 | 0 | 0 | 0 | 108.8 | Y93 T96 W97 Y185 T186 L187 | Y93-V167 HydrophobicContact CD2-CG1 3.87Å; Y93-V167 HydrophobicContact CE2-CB 4.48Å; Y93-V167 HydrophobicContact CE2-CG1 3.99Å; T96-V167 HydrophobicContact CG2-CB 4.41Å; T96-V167 HydrophobicContact CG2-CG1 3.8Å; T96-V167 HydrophobicContact CG2-CG2 4.05Å; W97-V167 HydrophobicContact CD2-CG2 3.95Å; W97-V167 HydrophobicContact CG-CG2 4.03Å; W97-V167 HydrophobicContact CZ2-CG2 4.47Å; V167-Y185 HydrophobicContact CG1-CD1 3.92Å; V167-Y185 HydrophobicContact CG1-CG 4.39Å; V167-T186 WeakPolarHBondContact CA-O 3.32Å; V167-L187 HydrophobicContact CG2-CD2 3.86Å |
| 168 | V | 93.1 | Very high | 85.4 | Confident | 11 Ų | 11 | 71.9 Ų | 71.9 | 7% | 0.067 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 146.4 | 175.1 | -63.7 | 0 | 0 | 0 | 0 | 111.2 | R166 Y185 T186 M188 | R166-V168 HydrophobicContact CG-CG1 3.9Å; R166-V168 VanDerWaalsContact CZ-CG1 3.47Å; V168-Y185 WeakPolarHBondContact O-CA 3.45Å; V168-T186 HydrophobicContact CG2-CG2 3.89Å; V168-T186 PolarHBondContact N-O 3.5Å; V168-T186 PolarHBondContact O-N 2.76Å; V168-M188 HydrophobicContact CG2-CB 3.85Å; V168-M188 HydrophobicContact CG2-CE 4.27Å; V168-M188 HydrophobicContact CG2-CG 3.53Å; V168-M188 HydrophobicContact CG2-SD 3.7Å |
| 169 | P | 91.5 | Very high | 84.1 | Confident | 82 Ų | 82 | 78.6 Ų | 78.6 | 53% | 0.532 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 138.1 | 167.4 | 29.6 | -31.1 | 0 | 0 | 0 | 110.6 | L183 K184 Y185 | P169-L183 HydrophobicContact CB-CD1 3.74Å; P169-L183 HydrophobicContact CB-CD2 4.37Å; P169-L183 HydrophobicContact CB-CG 4.2Å; P169-K184 CarbonylContact C-O 3.52Å; P169-K184 WeakPolarHBondContact CA-O 3.41Å; P169-Y185 HydrophobicContact CB-CD1 4.19Å; P169-Y185 HydrophobicContact CB-CE1 3.91Å |
| 170 | E | 85.8 | Confident | 83 | Confident | 94 Ų | 94 | 78.9 Ų | 78.9 | 44% | 0.439 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 140.1 | 171.3 | -173.5 | 168.3 | -160.2 | 0 | 0 | 109.4 | K184 T186 | E170-K184 PolarHBondContact N-O 2.9Å; E170-K184 PolarHBondContact O-N 3.05Å; E170-K184 VanDerWaalsContact O-O 3.14Å; E170-T186 HydrophobicContact CB-CG2 4.23Å |
| 171 | V | 84.2 | Confident | 82.2 | Confident | 95 Ų | 95 | 82.3 Ų | 82.3 | 58% | 0.576 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 115.5 | -175.7 | -178.4 | 0 | 0 | 0 | 0 | 108.4 | V181 L183 | V171-V181 HydrophobicContact CB-CG1 4.5Å; V171-V181 HydrophobicContact CG1-CG1 3.13Å; V171-L183 HydrophobicContact CG2-CD1 4.43Å |
| 172 | Y | 77.7 | Confident | 81.6 | Confident | 102 Ų | 102 | 82.5 Ų | 82.5 | 40% | 0.4 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 133 | -179.2 | -157.5 | -98.8 | 0 | 0 | 0 | 111 | T182 K184 | Y172-T182 PolarHBondContact N-O 2.85Å; Y172-T182 PolarHBondContact O-N 3.06Å; Y172-K184 HydrophobicContact CG-CD 4.46Å |
| 173 | L | 78.7 | Confident | 81.1 | Confident | 110 Ų | 110 | 83.6 Ų | 83.6 | 58% | 0.576 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 111.9 | 176.8 | -77.1 | 139 | 0 | 0 | 0 | 109.2 | K175 V181 | L173-K175 PolarHBondContact O-N 2.99Å; L173-V181 HydrophobicContact CD2-CG2 4.47Å |
| 174 | C | 76.1 | Confident | 80.7 | Confident | 11 Ų | 11 | 80.4 Ų | 80.4 | 7% | 0.074 | 42% | 0.415 | C | S | . | . | trans | -74.9 | 123 | 175.3 | -80.1 | 0 | 0 | 0 | 0 | 110.5 | C86 D176 S177 | C86-C174 HydrophobicContact CB-CB 4.26Å; C86-C174 WeakPolarHBondContact CB-SG 3.34Å; C86-C174 VanDerWaalsContact SG-CA 3.59Å; C86-C174 WeakPolarHBondContact SG-CB 3.44Å; C86-C174 CovalentContact SG-SG 2.03Å; C86-C174 PolarHBondContact SG-SG 3.46Å; C174-D176 PolarHBondContact O-N 3.3Å; C174-D176 VanDerWaalsContact O-N 3.09Å; C174-S177 CarbonylContact O-C 3.6Å; C174-S177 PolarHBondContact O-N 3.04Å; C174-S177 VanDerWaalsContact O-N 3.16Å; C174-S177 VanDerWaalsContact O-O 3.13Å | ||
| 175 | K | 69.8 | Low | 80.4 | Confident | 207 Ų | 207 | 83.3 Ų | 83.3 | 90% | 0.9 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -27.3 | -176.2 | -77.2 | -178.2 | 178.2 | 174.8 | 0 | 113.3 | L173 S177 | L173-K175 PolarHBondContact O-N 2.99Å; K175-S177 VanDerWaalsContact C-N 3.31Å; K175-S177 PolarHBondContact O-N 3.3Å |
| 176 | D | 66.5 | Low | 80.2 | Confident | 153 Ų | 153 | 83.8 Ų | 83.8 | 82% | 0.818 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -4.4 | -175.8 | -63.7 | -24.6 | 0 | 0 | 0 | 114.2 | C174 | C174-D176 PolarHBondContact O-N 3.3Å; C174-D176 VanDerWaalsContact O-N 3.09Å |
| 177 | S | 61.3 | Low | 80.1 | Confident | 53 Ų | 53 | 80.4 Ų | 80.4 | 37% | 0.371 | 42% | 0.422 | S | S | . | . | trans | -158.1 | 111.1 | 168.5 | -87.4 | 0 | 0 | 0 | 0 | 110.5 | C174 K175 N179 N180 | C174-S177 CarbonylContact O-C 3.6Å; C174-S177 PolarHBondContact O-N 3.04Å; C174-S177 VanDerWaalsContact O-N 3.16Å; C174-S177 VanDerWaalsContact O-O 3.13Å; K175-S177 VanDerWaalsContact C-N 3.31Å; K175-S177 PolarHBondContact O-N 3.3Å; S177-N179 PolarHBondContact O-N 3.14Å; S177-N180 PolarHBondContact O-N 3.11Å | ||
| 178 | L | 65.2 | Low | 80 | Confident | 161 Ų | 161 | 82.9 Ų | 82.9 | 84% | 0.843 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -18.7 | 179.7 | -150.7 | 78.4 | 0 | 0 | 0 | 113.6 | ||
| 179 | N | 68.3 | Low | 80 | Confident | 146 Ų | 146 | 85 Ų | 85 | 78% | 0.781 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.6 | -6.6 | 177.4 | -72.4 | -10 | 0 | 0 | 0 | 114.7 | S177 V181 | S177-N179 PolarHBondContact O-N 3.14Å; N179-V181 PolarHBondContact O-N 3.41Å |
| 180 | N | 72 | Confident | 80.1 | Confident | 99 Ų | 99 | 81.7 Ų | 81.7 | 53% | 0.529 | 43% | 0.426 | S | S | . | . | trans | -91.5 | 88.7 | 178 | -77.6 | -9.9 | 0 | 0 | 0 | 109.6 | S177 | S177-N180 PolarHBondContact O-N 3.11Š| ||
| 181 | V | 76.5 | Confident | 80.5 | Confident | 87 Ų | 87 | 83.9 Ų | 83.9 | 53% | 0.527 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 126.3 | 171.8 | 177.3 | 0 | 0 | 0 | 0 | 109.1 | V171 L173 N179 | V171-V181 HydrophobicContact CB-CG1 4.5Å; V171-V181 HydrophobicContact CG1-CG1 3.13Å; L173-V181 HydrophobicContact CD2-CG2 4.47Å; N179-V181 PolarHBondContact O-N 3.41Å |
| 182 | T | 80.1 | Confident | 80.9 | Confident | 21 Ų | 21 | 84.2 Ų | 84.2 | 13% | 0.129 | 43% | 0.434 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.3 | 178.7 | -46.8 | 0 | 0 | 0 | 0 | 109.8 | Q88 Y172 | Q88-T182 HydrophobicContact CG-CG2 3.21Å; Y172-T182 PolarHBondContact N-O 2.85Å; Y172-T182 PolarHBondContact O-N 3.06Å |
| 183 | L | 83.4 | Confident | 81.6 | Confident | 66 Ų | 66 | 79.3 Ų | 79.3 | 35% | 0.346 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 122.8 | 174.8 | -165.5 | 71.4 | 0 | 0 | 0 | 109.3 | Q88 P169 V171 Y185 | Q88-L183 PolarHBondContact NE2-O 2.78Å; P169-L183 HydrophobicContact CB-CD1 3.74Å; P169-L183 HydrophobicContact CB-CD2 4.37Å; P169-L183 HydrophobicContact CB-CG 4.2Å; V171-L183 HydrophobicContact CG2-CD1 4.43Å; L183-Y185 HydrophobicContact CD2-CE2 4Å; L183-Y185 HydrophobicContact CG-CE2 4.43Å |
| 184 | K | 86 | Confident | 82.2 | Confident | 21 Ų | 21 | 78.9 Ų | 78.9 | 9% | 0.091 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 153.8 | 170 | -71.6 | -169.4 | 174.2 | -172.3 | 0 | 109.6 | H85 H91 P169 E170 Y172 | H85-K184 WeakPolarHBondContact O-CE 3.47Å; H85-K184 PolarHBondContact O-NZ 3.18Å; H91-K184 HydrophobicContact CB-CB 3.85Å; H91-K184 HydrophobicContact CB-CD 4.05Å; H91-K184 HydrophobicContact CB-CG 3.84Å; P169-K184 CarbonylContact C-O 3.52Å; P169-K184 WeakPolarHBondContact CA-O 3.41Å; E170-K184 PolarHBondContact N-O 2.9Å; E170-K184 PolarHBondContact O-N 3.05Å; E170-K184 VanDerWaalsContact O-O 3.14Å; Y172-K184 HydrophobicContact CG-CD 4.46Å |
| 185 | Y | 89.9 | Confident | 83 | Confident | 61 Ų | 61 | 80.2 Ų | 80.2 | 24% | 0.239 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.7 | 171.4 | -68.9 | -91.6 | 0 | 0 | 0 | 109.6 | H91 Y93 T96 V167 V168 P169 L183 | H91-Y185 WeakPolarHBondContact O-CD2 3.24Å; H91-Y185 PolarHBondContact O-N 3.04Å; Y93-Y185 AromaticContact CD2-CD1 3.84Å; Y93-Y185 HydrophobicContact CD2-CD1 3.84Å; Y93-Y185 AromaticContact CD2-CE1 3.76Å; Y93-Y185 HydrophobicContact CD2-CE1 3.76Å; Y93-Y185 HydrophobicContact CD2-CG 4.44Å; Y93-Y185 HydrophobicContact CG-CE1 4.5Å; T96-Y185 WeakPolarHBondContact OG1-CB 3.28Å; T96-Y185 PolarHBondContact OG1-O 3.49Å; T96-Y185 VanDerWaalsContact OG1-O 3.13Å; V167-Y185 HydrophobicContact CG1-CD1 3.92Å; V167-Y185 HydrophobicContact CG1-CG 4.39Å; V168-Y185 WeakPolarHBondContact O-CA 3.45Å; P169-Y185 HydrophobicContact CB-CD1 4.19Å; P169-Y185 HydrophobicContact CB-CE1 3.91Å; L183-Y185 HydrophobicContact CD2-CE2 4Å; L183-Y185 HydrophobicContact CG-CE2 4.43Å |
| 186 | T | 90.3 | Very high | 84 | Confident | 46 Ų | 46 | 77.1 Ų | 77.1 | 28% | 0.282 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 169.1 | -179.6 | -170.7 | 0 | 0 | 0 | 0 | 111.1 | V167 V168 E170 M188 | V167-T186 WeakPolarHBondContact CA-O 3.32Å; V168-T186 HydrophobicContact CG2-CG2 3.89Å; V168-T186 PolarHBondContact N-O 3.5Å; V168-T186 PolarHBondContact O-N 2.76Å; E170-T186 HydrophobicContact CB-CG2 4.23Å; T186-M188 HydrophobicContact CG2-CE 4.02Å; T186-M188 HydrophobicContact CG2-CG 4.21Å |
| 187 | L | 92.2 | Very high | 85.2 | Confident | 40 Ų | 40 | 80.6 Ų | 80.6 | 21% | 0.209 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 121 | 174.5 | -62.5 | 179.7 | 0 | 0 | 0 | 110.3 | T96 L99 L100 V167 | T96-L187 HydrophobicContact CG2-CD2 3.97Å; T96-L187 HydrophobicContact CG2-CG 4.19Å; L99-L187 HydrophobicContact CB-CD1 4.33Å; L99-L187 HydrophobicContact CD2-CD1 3.89Å; L99-L187 HydrophobicContact CD2-CG 4.23Å; L99-L187 HydrophobicContact CG-CD1 3.77Å; L100-L187 HydrophobicContact CB-CD1 4.22Å; L100-L187 HydrophobicContact CB-CD2 3.85Å; L100-L187 HydrophobicContact CD1-CD1 4.47Å; L100-L187 HydrophobicContact CD1-CD2 4.42Å; L100-L187 HydrophobicContact CD2-CD2 4.49Å; L100-L187 HydrophobicContact CG-CD2 4.49Å; V167-L187 HydrophobicContact CG2-CD2 3.86Å |
| 188 | M | 92.3 | Very high | 86.7 | Confident | 74 Ų | 74 | 80.2 Ų | 80.2 | 37% | 0.365 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 156.1 | 172.4 | -72.1 | -165.4 | -178.8 | 0 | 0 | 110.9 | F165 R166 V168 T186 S190 | F165-M188 WeakPolarHBondContact CA-O 3.26Å; R166-M188 PolarHBondContact N-O 2.86Å; R166-M188 PolarHBondContact O-N 3.39Å; V168-M188 HydrophobicContact CG2-CB 3.85Å; V168-M188 HydrophobicContact CG2-CE 4.27Å; V168-M188 HydrophobicContact CG2-CG 3.53Å; V168-M188 HydrophobicContact CG2-SD 3.7Å; T186-M188 HydrophobicContact CG2-CE 4.02Å; T186-M188 HydrophobicContact CG2-CG 4.21Å; M188-S190 PolarHBondContact O-N 2.76Å |
| 189 | P | 92.9 | Very high | 88 | Confident | 56 Ų | 56 | 78.9 Ų | 78.9 | 36% | 0.364 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.5 | 132.3 | 169.3 | -27.3 | 35.9 | 0 | 0 | 0 | 111.4 | T164 A193 I194 | T164-P189 CarbonylContact O-C 3.59Å; T164-P189 WeakPolarHBondContact O-CA 3.34Å; P189-A193 HydrophobicContact CB-CB 4.2Å; P189-I194 HydrophobicContact CB-CG2 3.87Å |
| 190 | S | 93.8 | Very high | 89.2 | Confident | 12 Ų | 12 | 72.9 Ų | 72.9 | 8% | 0.084 | 37% | 0.371 | C | S | . | . | trans | -68.2 | 160.1 | 178.3 | 77 | 0 | 0 | 0 | 0 | 111 | L163 T164 M188 L192 A193 I194 | L163-S190 WeakPolarHBondContact O-CB 3.32Å; L163-S190 PolarHBondContact O-OG 3.28Å; T164-S190 PolarHBondContact O-N 3.42Å; T164-S190 PolarHBondContact O-OG 3.01Å; M188-S190 PolarHBondContact O-N 2.76Å; S190-L192 PolarHBondContact O-N 3.46Å; S190-L192 PolarHBondContact OG-N 3.08Å; S190-A193 WeakPolarHBondContact O-CA 3.44Å; S190-A193 VanDerWaalsContact O-CB 3.3Å; S190-A193 WeakPolarHBondContact O-CB 3.48Å; S190-A193 PolarHBondContact O-N 2.64Å; S190-A193 WeakPolarHBondContact OG-CB 3.21Å; S190-A193 PolarHBondContact OG-N 3.16Å; S190-I194 PolarHBondContact O-N 2.87Å; S190-I194 VanDerWaalsContact O-N 3.13Å | ||
| 191 | Q | 93.2 | Very high | 90.3 | Very high | 140 Ų | 140 | 69.6 Ų | 69.6 | 65% | 0.654 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -57.8 | -35.2 | 174.5 | -70.3 | -177.6 | -10.7 | 0 | 0 | 111.4 | A193 I194 A195 | Q191-A193 VanDerWaalsContact C-N 3.33Å; Q191-I194 WeakPolarHBondContact O-CG1 3.24Å; Q191-A195 VanDerWaalsContact O-CB 3.3Å; Q191-A195 WeakPolarHBondContact O-CB 3.41Å; Q191-A195 PolarHBondContact O-N 3.09Å |
| 192 | L | 92.3 | Very high | 91.1 | Very high | 102 Ų | 102 | 70.4 Ų | 70.4 | 53% | 0.534 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -67 | -34.7 | 174.3 | -170 | 63.9 | 0 | 0 | 0 | 112 | S190 L200 | S190-L192 PolarHBondContact O-N 3.46Å; S190-L192 PolarHBondContact OG-N 3.08Å; L192-L200 HydrophobicContact CB-CD2 4.15Å; L192-L200 HydrophobicContact CD2-CD2 3.8Å; L192-L200 HydrophobicContact CG-CD2 3.73Å |
| 193 | A | 92.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.9 | -38.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | T164 P189 S190 Q191 C198 L201 | T164-A193 HydrophobicContact CG2-CB 4.08Å; T164-A193 WeakPolarHBondContact O-CB 3.46Å; P189-A193 HydrophobicContact CB-CB 4.2Å; S190-A193 WeakPolarHBondContact O-CA 3.44Å; S190-A193 VanDerWaalsContact O-CB 3.3Å; S190-A193 WeakPolarHBondContact O-CB 3.48Å; S190-A193 PolarHBondContact O-N 2.64Å; S190-A193 WeakPolarHBondContact OG-CB 3.21Å; S190-A193 PolarHBondContact OG-N 3.16Å; Q191-A193 VanDerWaalsContact C-N 3.33Å; A193-C198 VanDerWaalsContact O-CA 3.26Å; A193-C198 WeakPolarHBondContact O-CA 3.08Å; A193-L201 HydrophobicContact CB-CB 4.46Å |
| 194 | I | 92.7 | Very high | 92.3 | Very high | 100 Ų | 100 | 69.6 Ų | 69.6 | 51% | 0.513 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -86.3 | -21.2 | -179.9 | 62.1 | 177.7 | 0 | 0 | 0 | 113.2 | P189 S190 Q191 | P189-I194 HydrophobicContact CB-CG2 3.87Å; S190-I194 PolarHBondContact O-N 2.87Å; S190-I194 VanDerWaalsContact O-N 3.13Å; Q191-I194 WeakPolarHBondContact O-CG1 3.24Å |
| 195 | A | 92.8 | Very high | 92.8 | Very high | 39 Ų | 39 | 69.2 Ų | 69.2 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -61.1 | 165 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q191 R197 C198 | Q191-A195 VanDerWaalsContact O-CB 3.3Å; Q191-A195 WeakPolarHBondContact O-CB 3.41Å; Q191-A195 PolarHBondContact O-N 3.09Å; A195-R197 PolarHBondContact O-N 3.45Å; A195-C198 WeakPolarHBondContact O-CA 3.12Å; A195-C198 PolarHBondContact O-N 3.45Å |
| 196 | N | 90 | Very high | 93 | Very high | 142 Ų | 142 | 72.6 Ų | 72.6 | 76% | 0.759 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | 46.2 | 53.7 | 172.8 | -67 | -21.4 | 0 | 0 | 0 | 113.8 | C198 F199 | N196-C198 PolarHBondContact O-N 2.93Å; N196-F199 HydrophobicContact CB-CB 4.43Å; N196-F199 VanDerWaalsContact O-CB 3.31Å; N196-F199 WeakPolarHBondContact O-CB 3.2Å; N196-F199 PolarHBondContact O-N 3.33Å |
| 197 | R | 91.1 | Very high | 93.3 | Very high | 226 Ų | 226 | 71.5 Ų | 71.5 | 85% | 0.853 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | 58.4 | 34.8 | 179.7 | -53.4 | -179.4 | 178.2 | -174.9 | -1 | 113.8 | A195 F199 K202 | A195-R197 PolarHBondContact O-N 3.45Å; R197-F199 VanDerWaalsContact C-N 3.28Å; R197-F199 PolarHBondContact O-N 2.99Å; R197-K202 PolarHBondContact O-NZ 3.07Å |
| 198 | C | 92.7 | Very high | 93.5 | Very high | 45 Ų | 45 | 71 Ų | 71 | 30% | 0.304 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | 59.9 | 34.9 | -178 | -49.1 | 0 | 0 | 0 | 0 | 113.4 | A193 A195 N196 L200 L201 K202 | A193-C198 VanDerWaalsContact O-CA 3.26Å; A193-C198 WeakPolarHBondContact O-CA 3.08Å; A195-C198 WeakPolarHBondContact O-CA 3.12Å; A195-C198 PolarHBondContact O-N 3.45Å; N196-C198 PolarHBondContact O-N 2.93Å; C198-L200 PolarHBondContact O-N 3.29Å; C198-L201 HydrophobicContact CB-CB 4.37Å; C198-L201 PolarHBondContact O-N 2.94Å; C198-K202 WeakPolarHBondContact O-CB 3.42Å; C198-K202 WeakPolarHBondContact O-CG 3.29Å; C198-K202 PolarHBondContact O-N 3.46Å |
| 199 | F | 93.2 | Very high | 93.6 | Very high | 133 Ų | 133 | 67.4 Ų | 67.4 | 58% | 0.583 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -58.8 | -47.6 | -174.4 | 175.5 | -99.7 | 0 | 0 | 0 | 112.2 | N196 R197 K202 M203 | N196-F199 HydrophobicContact CB-CB 4.43Å; N196-F199 VanDerWaalsContact O-CB 3.31Å; N196-F199 WeakPolarHBondContact O-CB 3.2Å; N196-F199 PolarHBondContact O-N 3.33Å; R197-F199 VanDerWaalsContact C-N 3.28Å; R197-F199 PolarHBondContact O-N 2.99Å; F199-K202 PolarHBondContact O-N 2.85Å; F199-M203 HydrophobicContact CE1-SD 3.91Å; F199-M203 HydrophobicContact CZ-SD 4.05Å; F199-M203 WeakPolarHBondContact O-CB 3.5Å; F199-M203 PolarHBondContact O-N 3.45Å |
| 200 | L | 94.3 | Very high | 93.8 | Very high | 21 Ų | 21 | 66.4 Ų | 66.4 | 11% | 0.11 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.6 | -43.5 | -178.5 | 177.9 | 70.8 | 0 | 0 | 0 | 111.6 | P160 L163 L192 C198 K202 M203 T204 | P160-L200 HydrophobicContact CB-CD1 3.8Å; L163-L200 HydrophobicContact CB-CD2 4.02Å; L192-L200 HydrophobicContact CB-CD2 4.15Å; L192-L200 HydrophobicContact CD2-CD2 3.8Å; L192-L200 HydrophobicContact CG-CD2 3.73Å; C198-L200 PolarHBondContact O-N 3.29Å; L200-K202 PolarHBondContact O-N 3.24Å; L200-M203 PolarHBondContact O-N 3.48Å; L200-T204 PolarHBondContact O-N 3.2Å; L200-T204 PolarHBondContact O-OG1 3.26Å |
| 201 | L | 93.9 | Very high | 93.9 | Very high | 29 Ų | 29 | 67.4 Ų | 67.4 | 15% | 0.152 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 175.1 | 178.9 | 65.2 | 0 | 0 | 0 | 111.3 | T164 A193 C198 M203 T204 L205 | T164-L201 HydrophobicContact CG2-CD1 3.6Å; A193-L201 HydrophobicContact CB-CB 4.46Å; C198-L201 HydrophobicContact CB-CB 4.37Å; C198-L201 PolarHBondContact O-N 2.94Å; L201-M203 VanDerWaalsContact C-N 3.32Å; L201-M203 PolarHBondContact O-N 3.38Å; L201-T204 PolarHBondContact O-N 3.31Å; L201-L205 HydrophobicContact CD1-CD1 4.48Å; L201-L205 HydrophobicContact CG-CD1 4.36Å; L201-L205 WeakPolarHBondContact O-CG 3.23Å; L201-L205 PolarHBondContact O-N 2.8Å |
| 202 | K | 93.3 | Very high | 94.1 | Very high | 105 Ų | 105 | 60.9 Ų | 60.9 | 46% | 0.457 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 177.1 | -74.8 | 170.9 | 179.4 | 163.4 | 0 | 111.4 | R197 C198 F199 L200 L205 W206 | R197-K202 PolarHBondContact O-NZ 3.07Å; C198-K202 WeakPolarHBondContact O-CB 3.42Å; C198-K202 WeakPolarHBondContact O-CG 3.29Å; C198-K202 PolarHBondContact O-N 3.46Å; F199-K202 PolarHBondContact O-N 2.85Å; L200-K202 PolarHBondContact O-N 3.24Å; K202-L205 PolarHBondContact O-N 3.45Å; K202-W206 WeakPolarHBondContact O-CB 3.36Å; K202-W206 PolarHBondContact O-N 2.92Å |
| 203 | M | 94.5 | Very high | 94.3 | Very high | 67 Ų | 67 | 57.7 Ų | 57.7 | 33% | 0.33 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -62 | -44.5 | 178.9 | -169.9 | 174.4 | 111.1 | 0 | 0 | 111.5 | P160 F199 L200 L201 W206 I207 | P160-M203 HydrophobicContact CB-CE 3.69Å; P160-M203 HydrophobicContact CG-CE 3.16Å; F199-M203 HydrophobicContact CE1-SD 3.91Å; F199-M203 HydrophobicContact CZ-SD 4.05Å; F199-M203 WeakPolarHBondContact O-CB 3.5Å; F199-M203 PolarHBondContact O-N 3.45Å; L200-M203 PolarHBondContact O-N 3.48Å; L201-M203 VanDerWaalsContact C-N 3.32Å; L201-M203 PolarHBondContact O-N 3.38Å; M203-W206 PolarHBondContact O-N 2.88Å; M203-I207 HydrophobicContact CE-CD1 3.97Å; M203-I207 HydrophobicContact CG-CD1 3.92Å; M203-I207 HydrophobicContact CG-CG1 4.5Å; M203-I207 WeakPolarHBondContact O-CB 3.36Å; M203-I207 VanDerWaalsContact O-CG1 3.3Å; M203-I207 WeakPolarHBondContact O-CG1 3.39Å; M203-I207 PolarHBondContact O-N 3.46Å |
| 204 | T | 95.3 | Very high | 94.5 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.018 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -59 | -47.3 | 175.4 | -66.7 | 0 | 0 | 0 | 0 | 111.8 | P160 H161 T164 L200 L201 W206 I207 N208 | P160-T204 VanDerWaalsContact C-OG1 3.27Å; P160-T204 PolarHBondContact O-OG1 3.06Å; H161-T204 HydrophobicContact CB-CG2 3.83Å; H161-T204 PolarHBondContact N-OG1 2.88Å; T164-T204 PolarHBondContact OG1-OG1 2.93Å; L200-T204 PolarHBondContact O-N 3.2Å; L200-T204 PolarHBondContact O-OG1 3.26Å; L201-T204 PolarHBondContact O-N 3.31Å; T204-W206 VanDerWaalsContact C-N 3.34Å; T204-W206 PolarHBondContact O-N 3.05Å; T204-I207 PolarHBondContact O-N 3.28Å; T204-N208 WeakPolarHBondContact O-CB 3.5Å; T204-N208 VanDerWaalsContact O-CG 3.32Å; T204-N208 PolarHBondContact O-N 3.45Å |
| 205 | L | 94.9 | Very high | 94.7 | Very high | 12 Ų | 12 | 59.1 Ų | 59.1 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 178.1 | -64.2 | 174.6 | 0 | 0 | 0 | 111.8 | L201 K202 N208 G209 P286 Y290 | L201-L205 HydrophobicContact CD1-CD1 4.48Å; L201-L205 HydrophobicContact CG-CD1 4.36Å; L201-L205 WeakPolarHBondContact O-CG 3.23Å; L201-L205 PolarHBondContact O-N 2.8Å; K202-L205 PolarHBondContact O-N 3.45Å; L205-N208 PolarHBondContact O-N 2.85Å; L205-G209 PolarHBondContact O-N 3.27Å; L205-P286 HydrophobicContact CD1-CB 3.71Å; L205-P286 HydrophobicContact CD1-CG 3.91Å; L205-Y290 HydrophobicContact CD1-CD1 4.2Å; L205-Y290 HydrophobicContact CD1-CD2 4.5Å; L205-Y290 HydrophobicContact CD1-CG 4.07Å; L205-Y290 HydrophobicContact CD2-CD1 4.44Å; L205-Y290 HydrophobicContact CD2-CD2 3.5Å; L205-Y290 VanDerWaalsContact CD2-CD2 3.5Å; L205-Y290 HydrophobicContact CD2-CE2 3.67Å; L205-Y290 HydrophobicContact CD2-CG 3.92Å |
| 206 | W | 95.8 | Very high | 94.9 | Very high | 133 Ų | 133 | 57.3 Ų | 57.3 | 50% | 0.504 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 176.4 | -128.9 | 86.6 | 0 | 0 | 0 | 112.1 | K202 M203 T204 G209 F210 | K202-W206 WeakPolarHBondContact O-CB 3.36Å; K202-W206 PolarHBondContact O-N 2.92Å; M203-W206 PolarHBondContact O-N 2.88Å; T204-W206 VanDerWaalsContact C-N 3.34Å; T204-W206 PolarHBondContact O-N 3.05Å; W206-G209 PolarHBondContact O-N 3.04Å; W206-F210 AromaticContact CD2-CD2 3.4Å; W206-F210 HydrophobicContact CD2-CD2 3.4Å; W206-F210 VanDerWaalsContact CD2-CD2 3.4Å; W206-F210 AromaticContact CD2-CE2 3.59Å; W206-F210 HydrophobicContact CD2-CE2 3.59Å; W206-F210 HydrophobicContact CD2-CG 4.22Å; W206-F210 AromaticContact CE2-CD2 3.68Å; W206-F210 AromaticContact CE2-CE2 3.34Å; W206-F210 AromaticContact CE2-CZ 3.94Å; W206-F210 HydrophobicContact CE3-CB 3.94Å; W206-F210 AromaticContact CE3-CD2 3.4Å; W206-F210 HydrophobicContact CE3-CD2 3.4Å; W206-F210 AromaticContact CE3-CE2 3.99Å; W206-F210 HydrophobicContact CE3-CE2 3.99Å; W206-F210 AromaticContact CE3-CG 3.76Å; W206-F210 HydrophobicContact CE3-CG 3.76Å; W206-F210 AromaticContact CG-CD2 3.99Å; W206-F210 HydrophobicContact CG-CD2 3.99Å; W206-F210 HydrophobicContact CG-CE2 4.1Å; W206-F210 HydrophobicContact CH2-CD1 4.03Å; W206-F210 AromaticContact CH2-CD2 3.94Å; W206-F210 HydrophobicContact CH2-CD2 3.94Å; W206-F210 HydrophobicContact CH2-CE1 4.06Å; W206-F210 AromaticContact CH2-CE2 3.97Å; W206-F210 HydrophobicContact CH2-CE2 3.97Å; W206-F210 AromaticContact CH2-CG 3.97Å; W206-F210 HydrophobicContact CH2-CG 3.97Å; W206-F210 HydrophobicContact CH2-CZ 4.02Å; W206-F210 AromaticContact CZ2-CD2 3.95Å; W206-F210 HydrophobicContact CZ2-CD2 3.95Å; W206-F210 HydrophobicContact CZ2-CE1 4.18Å; W206-F210 AromaticContact CZ2-CE2 3.57Å; W206-F210 HydrophobicContact CZ2-CE2 3.57Å; W206-F210 HydrophobicContact CZ2-CG 4.4Å; W206-F210 AromaticContact CZ2-CZ 3.68Å; W206-F210 HydrophobicContact CZ2-CZ 3.68Å; W206-F210 HydrophobicContact CZ3-CB 3.87Å; W206-F210 HydrophobicContact CZ3-CD1 4.08Å; W206-F210 AromaticContact CZ3-CD2 3.67Å; W206-F210 HydrophobicContact CZ3-CD2 3.67Å; W206-F210 HydrophobicContact CZ3-CE2 4.17Å; W206-F210 AromaticContact CZ3-CG 3.62Å; W206-F210 HydrophobicContact CZ3-CG 3.62Å; W206-F210 AromaticContact NE1-CE2 3.69Å; W206-F210 WeakPolarHBondContact O-CD2 3.43Å; W206-F210 PolarHBondContact O-N 3.46Å |
| 207 | I | 96.6 | Very high | 95.3 | Very high | 23 Ų | 23 | 50.9 Ų | 50.9 | 12% | 0.118 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.2 | -46 | 177 | -69.9 | 170.2 | 0 | 0 | 0 | 110.5 | L157 P160 M203 T204 G209 P211 F212 | L157-I207 HydrophobicContact CB-CG2 4.43Å; P160-I207 HydrophobicContact CG-CD1 4.14Å; M203-I207 HydrophobicContact CE-CD1 3.97Å; M203-I207 HydrophobicContact CG-CD1 3.92Å; M203-I207 HydrophobicContact CG-CG1 4.5Å; M203-I207 WeakPolarHBondContact O-CB 3.36Å; M203-I207 VanDerWaalsContact O-CG1 3.3Å; M203-I207 WeakPolarHBondContact O-CG1 3.39Å; M203-I207 PolarHBondContact O-N 3.46Å; T204-I207 PolarHBondContact O-N 3.28Å; I207-G209 VanDerWaalsContact C-N 3.28Å; I207-G209 PolarHBondContact O-N 3.34Å; I207-P211 HydrophobicContact CB-CG 4.27Å; I207-P211 HydrophobicContact CG2-CG 4.02Å; I207-P211 WeakPolarHBondContact O-CD 3.39Å; I207-P211 WeakPolarHBondContact O-CG 3.26Å; I207-F212 HydrophobicContact CG2-CD1 3.91Å; I207-F212 HydrophobicContact CG2-CD2 4.05Å; I207-F212 HydrophobicContact CG2-CE1 3.59Å; I207-F212 HydrophobicContact CG2-CE2 3.73Å; I207-F212 HydrophobicContact CG2-CG 4.15Å; I207-F212 HydrophobicContact CG2-CZ 3.49Å; I207-F212 VanDerWaalsContact CG2-CZ 3.49Å; I207-F212 WeakPolarHBondContact O-CB 3.33Å; I207-F212 WeakPolarHBondContact O-CG 3.39Å; I207-F212 PolarHBondContact O-N 3.17Å; I207-F212 VanDerWaalsContact O-N 3.15Å |
| 208 | N | 94.7 | Very high | 95.6 | Very high | 28 Ų | 28 | 44.1 Ų | 44.1 | 15% | 0.15 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -62.4 | -34.6 | 178.4 | -74.6 | -12.7 | 0 | 0 | 0 | 112.8 | H161 T204 L205 F212 | H161-N208 PolarHBondContact CE1-ND2 2.9Å; H161-N208 PolarHBondContact ND1-ND2 3.46Å; T204-N208 WeakPolarHBondContact O-CB 3.5Å; T204-N208 VanDerWaalsContact O-CG 3.32Å; T204-N208 PolarHBondContact O-N 3.45Å; L205-N208 PolarHBondContact O-N 2.85Å; N208-F212 WeakPolarHBondContact OD1-CD2 3.35Å |
| 209 | G | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -77.4 | -56.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | L205 W206 I207 K213 L214 T280 | L205-G209 PolarHBondContact O-N 3.27Å; W206-G209 PolarHBondContact O-N 3.04Å; I207-G209 VanDerWaalsContact C-N 3.28Å; I207-G209 PolarHBondContact O-N 3.34Å; G209-K213 PolarHBondContact O-N 2.95Å; G209-L214 PolarHBondContact O-N 3.3Å; G209-T280 PolarHBondContact O-OG1 3.3Å |
| 210 | F | 96.5 | Very high | 95.9 | Very high | 35 Ų | 35 | 38.2 Ų | 38.2 | 15% | 0.154 | 18% | 0.184 | C | C | . | . | I | π-helix | trans | -84.1 | -74.9 | -166.3 | -70.6 | -93.7 | 0 | 0 | 0 | 113.2 | W206 F212 L214 I215 T280 I284 | W206-F210 AromaticContact CD2-CD2 3.4Å; W206-F210 HydrophobicContact CD2-CD2 3.4Å; W206-F210 VanDerWaalsContact CD2-CD2 3.4Å; W206-F210 AromaticContact CD2-CE2 3.59Å; W206-F210 HydrophobicContact CD2-CE2 3.59Å; W206-F210 HydrophobicContact CD2-CG 4.22Å; W206-F210 AromaticContact CE2-CD2 3.68Å; W206-F210 AromaticContact CE2-CE2 3.34Å; W206-F210 AromaticContact CE2-CZ 3.94Å; W206-F210 HydrophobicContact CE3-CB 3.94Å; W206-F210 AromaticContact CE3-CD2 3.4Å; W206-F210 HydrophobicContact CE3-CD2 3.4Å; W206-F210 AromaticContact CE3-CE2 3.99Å; W206-F210 HydrophobicContact CE3-CE2 3.99Å; W206-F210 AromaticContact CE3-CG 3.76Å; W206-F210 HydrophobicContact CE3-CG 3.76Å; W206-F210 AromaticContact CG-CD2 3.99Å; W206-F210 HydrophobicContact CG-CD2 3.99Å; W206-F210 HydrophobicContact CG-CE2 4.1Å; W206-F210 HydrophobicContact CH2-CD1 4.03Å; W206-F210 AromaticContact CH2-CD2 3.94Å; W206-F210 HydrophobicContact CH2-CD2 3.94Å; W206-F210 HydrophobicContact CH2-CE1 4.06Å; W206-F210 AromaticContact CH2-CE2 3.97Å; W206-F210 HydrophobicContact CH2-CE2 3.97Å; W206-F210 AromaticContact CH2-CG 3.97Å; W206-F210 HydrophobicContact CH2-CG 3.97Å; W206-F210 HydrophobicContact CH2-CZ 4.02Å; W206-F210 AromaticContact CZ2-CD2 3.95Å; W206-F210 HydrophobicContact CZ2-CD2 3.95Å; W206-F210 HydrophobicContact CZ2-CE1 4.18Å; W206-F210 AromaticContact CZ2-CE2 3.57Å; W206-F210 HydrophobicContact CZ2-CE2 3.57Å; W206-F210 HydrophobicContact CZ2-CG 4.4Å; W206-F210 AromaticContact CZ2-CZ 3.68Å; W206-F210 HydrophobicContact CZ2-CZ 3.68Å; W206-F210 HydrophobicContact CZ3-CB 3.87Å; W206-F210 HydrophobicContact CZ3-CD1 4.08Å; W206-F210 AromaticContact CZ3-CD2 3.67Å; W206-F210 HydrophobicContact CZ3-CD2 3.67Å; W206-F210 HydrophobicContact CZ3-CE2 4.17Å; W206-F210 AromaticContact CZ3-CG 3.62Å; W206-F210 HydrophobicContact CZ3-CG 3.62Å; W206-F210 AromaticContact NE1-CE2 3.69Å; W206-F210 WeakPolarHBondContact O-CD2 3.43Å; W206-F210 PolarHBondContact O-N 3.46Å; F210-F212 VanDerWaalsContact C-N 3.28Å; F210-F212 PolarHBondContact O-N 3.18Å; F210-L214 HydrophobicContact CD1-CD2 3.73Å; F210-L214 HydrophobicContact CE1-CD2 3.96Å; F210-L214 PolarHBondContact O-N 3.48Å; F210-L214 VanDerWaalsContact O-N 3.13Å; F210-I215 WeakPolarHBondContact O-CG1 3.38Å; F210-I215 PolarHBondContact O-N 2.93Å; F210-T280 HydrophobicContact CD1-CG2 4.27Å; F210-T280 HydrophobicContact CD2-CG2 4.32Å; F210-T280 HydrophobicContact CE1-CG2 3.79Å; F210-T280 HydrophobicContact CE2-CG2 3.86Å; F210-T280 HydrophobicContact CZ-CG2 3.58Å; F210-I284 HydrophobicContact CE2-CG1 4.12Å; F210-I284 HydrophobicContact CZ-CD1 3.99Å; F210-I284 HydrophobicContact CZ-CG1 3.92Å |
| 211 | P | 96.8 | Very high | 96 | Very high | 33 Ų | 33 | 42.1 Ų | 42.1 | 21% | 0.214 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -67.1 | -28.2 | -177.1 | 27.2 | -35.3 | 0 | 0 | 0 | 113.1 | W115 I207 I215 P216 | W115-P211 WeakPolarHBondContact CZ2-O 3.48Å; W115-P211 PolarHBondContact NE1-O 3.23Å; I207-P211 HydrophobicContact CB-CG 4.27Å; I207-P211 HydrophobicContact CG2-CG 4.02Å; I207-P211 WeakPolarHBondContact O-CD 3.39Å; I207-P211 WeakPolarHBondContact O-CG 3.26Å; P211-I215 HydrophobicContact CB-CD1 4.46Å; P211-P216 WeakPolarHBondContact O-CD 3.48Å |
| 212 | F | 96.8 | Very high | 96.2 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 1% | 0.013 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -84.1 | -30.5 | -177.1 | -73.3 | 5.9 | 0 | 0 | 0 | 113.5 | V107 T111 V154 L157 S158 I207 N208 F210 | V107-F212 HydrophobicContact CG1-CD2 3.84Å; V107-F212 HydrophobicContact CG1-CE2 3.97Å; T111-F212 HydrophobicContact CG2-CB 3.85Å; T111-F212 HydrophobicContact CG2-CD1 3.57Å; T111-F212 HydrophobicContact CG2-CD2 4.18Å; T111-F212 HydrophobicContact CG2-CE1 4.09Å; T111-F212 HydrophobicContact CG2-CG 3.61Å; T111-F212 WeakPolarHBondContact OG1-CD2 3.25Å; T111-F212 WeakPolarHBondContact OG1-CG 3.38Å; V154-F212 HydrophobicContact CG1-CZ 4.3Å; L157-F212 HydrophobicContact CB-CE1 3.62Å; L157-F212 HydrophobicContact CB-CZ 3.65Å; L157-F212 HydrophobicContact CD1-CE1 4.01Å; L157-F212 HydrophobicContact CG-CE1 4.48Å; S158-F212 WeakPolarHBondContact OG-CE2 3.22Å; S158-F212 WeakPolarHBondContact OG-CZ 3.24Å; I207-F212 HydrophobicContact CG2-CD1 3.91Å; I207-F212 HydrophobicContact CG2-CD2 4.05Å; I207-F212 HydrophobicContact CG2-CE1 3.59Å; I207-F212 HydrophobicContact CG2-CE2 3.73Å; I207-F212 HydrophobicContact CG2-CG 4.15Å; I207-F212 HydrophobicContact CG2-CZ 3.49Å; I207-F212 VanDerWaalsContact CG2-CZ 3.49Å; I207-F212 WeakPolarHBondContact O-CB 3.33Å; I207-F212 WeakPolarHBondContact O-CG 3.39Å; I207-F212 PolarHBondContact O-N 3.17Å; I207-F212 VanDerWaalsContact O-N 3.15Å; N208-F212 WeakPolarHBondContact OD1-CD2 3.35Å; F210-F212 VanDerWaalsContact C-N 3.28Å; F210-F212 PolarHBondContact O-N 3.18Å |
| 213 | K | 95.8 | Very high | 96.3 | Very high | 35 Ų | 35 | 40.4 Ų | 40.4 | 15% | 0.152 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -124.2 | -59.6 | -177 | -68.7 | -177.8 | 173.3 | -77.7 | 0 | 113.9 | L114 G209 I215 P216 C217 E272 Q275 A276 A279 | L114-K213 HydrophobicContact CD2-CB 4.48Å; L114-K213 HydrophobicContact CD2-CG 4.39Å; G209-K213 PolarHBondContact O-N 2.95Å; K213-I215 PolarHBondContact O-N 3.47Å; K213-P216 VanDerWaalsContact O-CD 3.29Å; K213-P216 WeakPolarHBondContact O-CD 3.49Å; K213-P216 WeakPolarHBondContact O-CG 3.48Å; K213-C217 VanDerWaalsContact O-CB 3.31Å; K213-C217 WeakPolarHBondContact O-CB 3.42Å; K213-C217 PolarHBondContact O-N 2.94Å; K213-C217 VanDerWaalsContact O-N 3.1Å; K213-C217 PolarHBondContact O-SG 3.46Å; K213-E272 IonicContact NZ-OE2 3.73Å; K213-E272 PolarHBondContact NZ-OE2 2.92Å; K213-Q275 HydrophobicContact CD-CB 4.32Å; K213-A276 HydrophobicContact CB-CB 3.83Å; K213-A279 HydrophobicContact CD-CB 3.6Å |
| 214 | L | 96.8 | Very high | 96.3 | Very high | 54 Ų | 54 | 37.6 Ų | 37.6 | 28% | 0.283 | 18% | 0.182 | S | C | . | . | I | π-helix | trans | -60.5 | -50 | -171.6 | -175.6 | 64 | 0 | 0 | 0 | 113.1 | G209 F210 C217 I218 T280 | G209-L214 PolarHBondContact O-N 3.3Å; F210-L214 HydrophobicContact CD1-CD2 3.73Å; F210-L214 HydrophobicContact CE1-CD2 3.96Å; F210-L214 PolarHBondContact O-N 3.48Å; F210-L214 VanDerWaalsContact O-N 3.13Å; L214-C217 PolarHBondContact O-N 3.21Å; L214-I218 HydrophobicContact CD1-CD1 4.01Å; L214-I218 HydrophobicContact CD1-CG1 4.33Å; L214-I218 HydrophobicContact CG-CD1 3.86Å; L214-I218 WeakPolarHBondContact O-CG1 3.49Å; L214-I218 PolarHBondContact O-N 2.9Å; L214-T280 HydrophobicContact CD2-CG2 4.07Å |
| 215 | I | 97.3 | Very high | 96.2 | Very high | 76 Ų | 76 | 40.9 Ų | 40.9 | 39% | 0.39 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -59.5 | -54.6 | -177.2 | -64.2 | -178 | 0 | 0 | 0 | 111.9 | W115 F210 P211 K213 C217 I218 I219 | W115-I215 HydrophobicContact CH2-CG2 3.69Å; W115-I215 HydrophobicContact CZ2-CB 4.34Å; W115-I215 HydrophobicContact CZ2-CG2 3.93Å; F210-I215 WeakPolarHBondContact O-CG1 3.38Å; F210-I215 PolarHBondContact O-N 2.93Å; P211-I215 HydrophobicContact CB-CD1 4.46Å; K213-I215 PolarHBondContact O-N 3.47Å; I215-C217 VanDerWaalsContact C-N 3.31Å; I215-C217 PolarHBondContact O-N 3.29Å; I215-I218 PolarHBondContact O-N 3.19Å; I215-I219 HydrophobicContact CG2-CD1 3.98Å; I215-I219 WeakPolarHBondContact O-CG1 3.14Å; I215-I219 PolarHBondContact O-N 3.5Å; I215-I219 VanDerWaalsContact O-N 3.08Å |
| 216 | P | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.6 | -34.3 | 179.4 | 24.2 | -33.5 | 0 | 0 | 0 | 112.6 | L114 W115 A118 P211 K213 I218 I219 L220 | L114-P216 HydrophobicContact CD1-CB 4.48Å; L114-P216 HydrophobicContact CD2-CB 4.43Å; L114-P216 HydrophobicContact CD2-CG 3.79Å; L114-P216 HydrophobicContact CG-CB 3.94Å; L114-P216 HydrophobicContact CG-CG 3.8Å; W115-P216 HydrophobicContact CD2-CB 3.84Å; W115-P216 HydrophobicContact CD2-CG 4.26Å; W115-P216 HydrophobicContact CE3-CB 4.18Å; W115-P216 HydrophobicContact CG-CB 4.14Å; W115-P216 HydrophobicContact CG-CG 4.4Å; W115-P216 HydrophobicContact CZ2-CB 4.29Å; W115-P216 HydrophobicContact CZ2-CG 4.28Å; A118-P216 HydrophobicContact CB-CB 4.02Å; P211-P216 WeakPolarHBondContact O-CD 3.48Å; K213-P216 VanDerWaalsContact O-CD 3.29Å; K213-P216 WeakPolarHBondContact O-CD 3.49Å; K213-P216 WeakPolarHBondContact O-CG 3.48Å; P216-I218 PolarHBondContact O-N 3.07Å; P216-I219 PolarHBondContact O-N 3.31Å; P216-L220 WeakPolarHBondContact O-CB 3.42Å; P216-L220 PolarHBondContact O-N 2.84Å |
| 217 | C | 97.3 | Very high | 96 | Very high | 8 Ų | 8 | 35 Ų | 35 | 5% | 0.054 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -61.2 | -41.8 | 173.5 | -76.9 | 0 | 0 | 0 | 0 | 112.6 | K213 L214 I215 L220 F221 L269 | K213-C217 VanDerWaalsContact O-CB 3.31Å; K213-C217 WeakPolarHBondContact O-CB 3.42Å; K213-C217 PolarHBondContact O-N 2.94Å; K213-C217 VanDerWaalsContact O-N 3.1Å; K213-C217 PolarHBondContact O-SG 3.46Å; L214-C217 PolarHBondContact O-N 3.21Å; I215-C217 VanDerWaalsContact C-N 3.31Å; I215-C217 PolarHBondContact O-N 3.29Å; C217-L220 PolarHBondContact O-N 3.08Å; C217-F221 WeakPolarHBondContact O-CB 3.45Å; C217-F221 PolarHBondContact O-N 3.44Å; C217-L269 HydrophobicContact CB-CD1 4.17Å |
| 218 | I | 97.4 | Very high | 95.8 | Very high | 83 Ų | 83 | 37.7 Ų | 37.7 | 43% | 0.426 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -63.7 | -46.3 | 175.8 | -69.8 | 169.5 | 0 | 0 | 0 | 110.9 | L214 I215 P216 L220 F221 I222 | L214-I218 HydrophobicContact CD1-CD1 4.01Å; L214-I218 HydrophobicContact CD1-CG1 4.33Å; L214-I218 HydrophobicContact CG-CD1 3.86Å; L214-I218 WeakPolarHBondContact O-CG1 3.49Å; L214-I218 PolarHBondContact O-N 2.9Å; I215-I218 PolarHBondContact O-N 3.19Å; P216-I218 PolarHBondContact O-N 3.07Å; I218-L220 VanDerWaalsContact C-N 3.31Å; I218-L220 PolarHBondContact O-N 3.4Å; I218-F221 PolarHBondContact O-N 3.18Å; I218-I222 HydrophobicContact CG2-CD1 3.75Å; I218-I222 HydrophobicContact CG2-CG1 4.48Å; I218-I222 WeakPolarHBondContact O-CG1 3.49Å; I218-I222 PolarHBondContact O-N 2.98Å |
| 219 | I | 96.9 | Very high | 95.6 | Very high | 54 Ų | 54 | 42.9 Ų | 42.9 | 28% | 0.277 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.9 | -45.5 | 178 | -66.9 | 169.7 | 0 | 0 | 0 | 110.3 | W115 A118 I215 P216 S223 | W115-I219 HydrophobicContact CH2-CD1 4Å; W115-I219 HydrophobicContact CZ3-CD1 3.84Å; A118-I219 HydrophobicContact CB-CB 4.42Å; A118-I219 HydrophobicContact CB-CG2 4.22Å; I215-I219 HydrophobicContact CG2-CD1 3.98Å; I215-I219 WeakPolarHBondContact O-CG1 3.14Å; I215-I219 PolarHBondContact O-N 3.5Å; I215-I219 VanDerWaalsContact O-N 3.08Å; P216-I219 PolarHBondContact O-N 3.31Å; I219-S223 VanDerWaalsContact O-CB 3.24Å; I219-S223 WeakPolarHBondContact O-CB 3.34Å; I219-S223 PolarHBondContact O-N 3.04Å; I219-S223 PolarHBondContact O-OG 3.2Å |
| 220 | L | 96.1 | Very high | 95.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.1 | -48.1 | 178.9 | -179.2 | 58.8 | 0 | 0 | 0 | 111.2 | L114 A118 P216 C217 I218 S223 I224 L265 F268 L269 | L114-L220 HydrophobicContact CD1-CD2 4.46Å; A118-L220 HydrophobicContact CB-CB 4.24Å; P216-L220 WeakPolarHBondContact O-CB 3.42Å; P216-L220 PolarHBondContact O-N 2.84Å; C217-L220 PolarHBondContact O-N 3.08Å; I218-L220 VanDerWaalsContact C-N 3.31Å; I218-L220 PolarHBondContact O-N 3.4Å; L220-S223 PolarHBondContact O-N 2.92Å; L220-I224 HydrophobicContact CD1-CD1 3.83Å; L220-I224 HydrophobicContact CD1-CG1 4.18Å; L220-I224 HydrophobicContact CG-CD1 3.8Å; L220-I224 WeakPolarHBondContact O-CB 3.38Å; L220-I224 VanDerWaalsContact O-CG1 3.26Å; L220-I224 WeakPolarHBondContact O-CG1 3.27Å; L220-I224 PolarHBondContact O-N 3.27Å; L220-L265 HydrophobicContact CD1-CB 4.12Å; L220-L265 HydrophobicContact CD1-CD1 4.33Å; L220-L265 HydrophobicContact CD1-CD2 4.03Å; L220-L265 HydrophobicContact CD1-CG 4.4Å; L220-F268 HydrophobicContact CD2-CD1 4.37Å; L220-L269 HydrophobicContact CB-CD1 4.5Å; L220-L269 HydrophobicContact CD2-CB 3.95Å; L220-L269 HydrophobicContact CD2-CD1 4.13Å; L220-L269 HydrophobicContact CG-CB 4.37Å; L220-L269 HydrophobicContact CG-CD1 4.35Å |
| 221 | F | 97 | Very high | 94.8 | Very high | 103 Ų | 103 | 45 Ų | 45 | 45% | 0.452 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.6 | -51.1 | 178.3 | 178.6 | -112.8 | 0 | 0 | 0 | 112.3 | C217 I218 S223 I224 L225 L269 | C217-F221 WeakPolarHBondContact O-CB 3.45Å; C217-F221 PolarHBondContact O-N 3.44Å; I218-F221 PolarHBondContact O-N 3.18Å; F221-S223 VanDerWaalsContact C-N 3.28Å; F221-S223 PolarHBondContact O-N 2.91Å; F221-I224 PolarHBondContact O-N 3.03Å; F221-L225 HydrophobicContact CD1-CD1 4.06Å; F221-L225 HydrophobicContact CD2-CG 4.46Å; F221-L225 HydrophobicContact CE1-CD1 3.52Å; F221-L225 HydrophobicContact CE1-CG 4.4Å; F221-L225 HydrophobicContact CE2-CD1 4.09Å; F221-L225 HydrophobicContact CE2-CD2 4.41Å; F221-L225 HydrophobicContact CE2-CG 4.21Å; F221-L225 HydrophobicContact CZ-CD1 3.57Å; F221-L225 HydrophobicContact CZ-CG 4.19Å; F221-L225 WeakPolarHBondContact O-CG 3.38Å; F221-L225 PolarHBondContact O-N 3.32Å; F221-L269 HydrophobicContact CB-CD1 4.42Å; F221-L269 HydrophobicContact CB-CD2 3.76Å; F221-L269 HydrophobicContact CD2-CD2 3.61Å; F221-L269 HydrophobicContact CG-CD2 4.17Å |
| 222 | I | 96.7 | Very high | 94.4 | Very high | 94 Ų | 94 | 46.4 Ų | 46.4 | 48% | 0.482 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -61.4 | -40.2 | 179.4 | -66.7 | 170.4 | 0 | 0 | 0 | 111 | I218 S226 | I218-I222 HydrophobicContact CG2-CD1 3.75Å; I218-I222 HydrophobicContact CG2-CG1 4.48Å; I218-I222 WeakPolarHBondContact O-CG1 3.49Å; I218-I222 PolarHBondContact O-N 2.98Å; I222-S226 WeakPolarHBondContact O-CB 3.34Å; I222-S226 PolarHBondContact O-N 3.47Å; I222-S226 PolarHBondContact O-OG 3.34Å |
| 223 | S | 95.3 | Very high | 94 | Very high | 5 Ų | 5 | 52.1 Ų | 52.1 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -66.9 | -42.5 | 178.7 | -62.4 | 0 | 0 | 0 | 0 | 111.8 | S121 I219 L220 F221 S226 L227 | S121-S223 WeakPolarHBondContact OG-CB 3.37Å; S121-S223 PolarHBondContact OG-OG 3.43Å; I219-S223 VanDerWaalsContact O-CB 3.24Å; I219-S223 WeakPolarHBondContact O-CB 3.34Å; I219-S223 PolarHBondContact O-N 3.04Å; I219-S223 PolarHBondContact O-OG 3.2Å; L220-S223 PolarHBondContact O-N 2.92Å; F221-S223 VanDerWaalsContact C-N 3.28Å; F221-S223 PolarHBondContact O-N 2.91Å; S223-S226 PolarHBondContact O-N 2.94Å; S223-L227 WeakPolarHBondContact O-CB 3.49Å; S223-L227 VanDerWaalsContact O-CG 3.28Å; S223-L227 WeakPolarHBondContact O-CG 3.35Å; S223-L227 PolarHBondContact O-N 2.86Å |
| 224 | I | 94.3 | Very high | 93.3 | Very high | 7 Ų | 7 | 51.5 Ų | 51.5 | 4% | 0.036 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.7 | -48.8 | 174.8 | -71.1 | 166.2 | 0 | 0 | 0 | 110.9 | L220 F221 S226 L227 L228 V262 L265 L269 | L220-I224 HydrophobicContact CD1-CD1 3.83Å; L220-I224 HydrophobicContact CD1-CG1 4.18Å; L220-I224 HydrophobicContact CG-CD1 3.8Å; L220-I224 WeakPolarHBondContact O-CB 3.38Å; L220-I224 VanDerWaalsContact O-CG1 3.26Å; L220-I224 WeakPolarHBondContact O-CG1 3.27Å; L220-I224 PolarHBondContact O-N 3.27Å; F221-I224 PolarHBondContact O-N 3.03Å; I224-S226 VanDerWaalsContact C-N 3.25Å; I224-S226 PolarHBondContact O-N 3.14Å; I224-L227 PolarHBondContact O-N 2.88Å; I224-L227 VanDerWaalsContact O-N 3.13Å; I224-L228 HydrophobicContact CG2-CD1 3.86Å; I224-L228 HydrophobicContact CG2-CG 4.32Å; I224-L228 WeakPolarHBondContact O-CB 3.46Å; I224-L228 WeakPolarHBondContact O-CG 3.21Å; I224-L228 PolarHBondContact O-N 2.96Å; I224-V262 HydrophobicContact CG2-CG1 4.46Å; I224-L265 HydrophobicContact CD1-CB 3.9Å; I224-L265 WeakPolarHBondContact CD1-O 3.44Å; I224-L265 HydrophobicContact CG1-CB 4.09Å; I224-L269 HydrophobicContact CD1-CB 4.16Å; I224-L269 HydrophobicContact CD1-CD2 4.06Å |
| 225 | L | 94.9 | Very high | 92.7 | Very high | 73 Ų | 73 | 52.8 Ų | 52.8 | 38% | 0.382 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.8 | -41.3 | 177.2 | -72.2 | -178 | 0 | 0 | 0 | 111.7 | F221 L228 K229 | F221-L225 HydrophobicContact CD1-CD1 4.06Å; F221-L225 HydrophobicContact CD2-CG 4.46Å; F221-L225 HydrophobicContact CE1-CD1 3.52Å; F221-L225 HydrophobicContact CE1-CG 4.4Å; F221-L225 HydrophobicContact CE2-CD1 4.09Å; F221-L225 HydrophobicContact CE2-CD2 4.41Å; F221-L225 HydrophobicContact CE2-CG 4.21Å; F221-L225 HydrophobicContact CZ-CD1 3.57Å; F221-L225 HydrophobicContact CZ-CG 4.19Å; F221-L225 WeakPolarHBondContact O-CG 3.38Å; F221-L225 PolarHBondContact O-N 3.32Å; L225-L228 PolarHBondContact O-N 3.41Å; L225-K229 WeakPolarHBondContact O-CG 3.31Å; L225-K229 PolarHBondContact O-N 3.48Å |
| 226 | S | 93.2 | Very high | 92.2 | Very high | 21 Ų | 21 | 51.1 Ų | 51.1 | 15% | 0.147 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 177.2 | -65.9 | 0 | 0 | 0 | 0 | 112.7 | I222 S223 I224 F230 | I222-S226 WeakPolarHBondContact O-CB 3.34Å; I222-S226 PolarHBondContact O-N 3.47Å; I222-S226 PolarHBondContact O-OG 3.34Å; S223-S226 PolarHBondContact O-N 2.94Å; I224-S226 VanDerWaalsContact C-N 3.25Å; I224-S226 PolarHBondContact O-N 3.14Å; S226-F230 WeakPolarHBondContact O-CB 3.34Å; S226-F230 PolarHBondContact O-N 3.08Å |
| 227 | L | 91.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 175.1 | -74 | 168.6 | 0 | 0 | 0 | 111.6 | R124 L125 I128 S223 I224 F230 L231 T258 L261 V262 | R124-L227 HydrophobicContact CG-CD2 4.22Å; L125-L227 HydrophobicContact CB-CD2 4.21Å; L125-L227 HydrophobicContact CB-CG 4.4Å; L125-L227 HydrophobicContact CD1-CD2 4.08Å; L125-L227 HydrophobicContact CD1-CG 4.24Å; I128-L227 HydrophobicContact CD1-CD2 3.76Å; S223-L227 WeakPolarHBondContact O-CB 3.49Å; S223-L227 VanDerWaalsContact O-CG 3.28Å; S223-L227 WeakPolarHBondContact O-CG 3.35Å; S223-L227 PolarHBondContact O-N 2.86Å; I224-L227 PolarHBondContact O-N 2.88Å; I224-L227 VanDerWaalsContact O-N 3.13Å; L227-F230 PolarHBondContact O-N 3.35Å; L227-L231 WeakPolarHBondContact O-CB 3.36Å; L227-L231 WeakPolarHBondContact O-CG 3.44Å; L227-L231 PolarHBondContact O-N 2.63Å; L227-T258 HydrophobicContact CD2-CG2 4.37Å; L227-L261 HydrophobicContact CD1-CD2 3.87Å; L227-V262 HydrophobicContact CB-CG2 3.75Å; L227-V262 HydrophobicContact CD1-CG2 4.11Å |
| 228 | L | 92.4 | Very high | 90.4 | Very high | 79 Ų | 79 | 62.3 Ų | 62.3 | 41% | 0.414 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.1 | -46.7 | 176.3 | -76.4 | 171 | 0 | 0 | 0 | 111.5 | I224 L225 F230 L231 S232 V262 | I224-L228 HydrophobicContact CG2-CD1 3.86Å; I224-L228 HydrophobicContact CG2-CG 4.32Å; I224-L228 WeakPolarHBondContact O-CB 3.46Å; I224-L228 WeakPolarHBondContact O-CG 3.21Å; I224-L228 PolarHBondContact O-N 2.96Å; L225-L228 PolarHBondContact O-N 3.41Å; L228-F230 PolarHBondContact O-N 3.33Å; L228-L231 PolarHBondContact O-N 3.08Å; L228-S232 WeakPolarHBondContact O-CB 3.39Å; L228-S232 PolarHBondContact O-N 3.24Å; L228-V262 HydrophobicContact CD2-CG1 3.56Å; L228-V262 HydrophobicContact CG-CG1 3.9Å |
| 229 | K | 91.7 | Very high | 89.6 | Confident | 137 Ų | 137 | 68.4 Ų | 68.4 | 60% | 0.596 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -56.8 | -50.4 | 174.5 | -75.5 | -179.5 | -179.5 | -179.1 | 0 | 111 | L225 L231 S232 E233 | L225-K229 WeakPolarHBondContact O-CG 3.31Å; L225-K229 PolarHBondContact O-N 3.48Å; K229-L231 VanDerWaalsContact C-N 3.34Å; K229-L231 PolarHBondContact O-N 3.22Å; K229-S232 PolarHBondContact O-N 2.81Å; K229-S232 VanDerWaalsContact O-N 3.16Å; K229-S232 PolarHBondContact O-OG 3.1Å; K229-E233 WeakPolarHBondContact O-CG 3.34Å; K229-E233 PolarHBondContact O-N 3.4Å |
| 230 | F | 88.1 | Confident | 88.8 | Confident | 64 Ų | 64 | 76.3 Ų | 76.3 | 28% | 0.281 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.9 | -44.2 | 177.1 | 178.4 | -88.4 | 0 | 0 | 0 | 112.7 | I128 S226 L227 L228 S232 A234 | I128-F230 HydrophobicContact CG2-CD1 3.31Å; I128-F230 HydrophobicContact CG2-CD2 3.88Å; I128-F230 HydrophobicContact CG2-CE1 3.09Å; I128-F230 HydrophobicContact CG2-CE2 3.67Å; I128-F230 HydrophobicContact CG2-CG 3.71Å; I128-F230 HydrophobicContact CG2-CZ 3.28Å; S226-F230 WeakPolarHBondContact O-CB 3.34Å; S226-F230 PolarHBondContact O-N 3.08Å; L227-F230 PolarHBondContact O-N 3.35Å; L228-F230 PolarHBondContact O-N 3.33Å; F230-S232 VanDerWaalsContact C-N 3.34Å; F230-S232 PolarHBondContact O-N 3.39Å; F230-A234 HydrophobicContact CE1-CB 4.43Å; F230-A234 VanDerWaalsContact O-CB 3.28Å; F230-A234 WeakPolarHBondContact O-CB 3.29Å; F230-A234 PolarHBondContact O-N 3.24Å |
| 231 | L | 86.7 | Confident | 87.6 | Confident | 17 Ų | 17 | 79.9 Ų | 79.9 | 9% | 0.089 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.1 | -43.1 | 177.8 | -78.6 | 174.5 | 0 | 0 | 0 | 111.5 | L227 L228 K229 A234 Q235 T258 K259 V262 | L227-L231 WeakPolarHBondContact O-CB 3.36Å; L227-L231 WeakPolarHBondContact O-CG 3.44Å; L227-L231 PolarHBondContact O-N 2.63Å; L228-L231 PolarHBondContact O-N 3.08Å; K229-L231 VanDerWaalsContact C-N 3.34Å; K229-L231 PolarHBondContact O-N 3.22Å; L231-A234 PolarHBondContact O-N 2.96Å; L231-Q235 WeakPolarHBondContact O-CB 3.47Å; L231-Q235 VanDerWaalsContact O-CG 3.31Å; L231-Q235 WeakPolarHBondContact O-CG 3.43Å; L231-Q235 PolarHBondContact O-N 3.32Å; L231-T258 HydrophobicContact CD1-CG2 4.02Å; L231-T258 HydrophobicContact CD2-CG2 3.88Å; L231-T258 HydrophobicContact CG-CG2 4.06Å; L231-K259 HydrophobicContact CD1-CG 4.32Å; L231-V262 HydrophobicContact CD1-CG2 4Å |
| 232 | S | 88.2 | Confident | 86.2 | Confident | 61 Ų | 61 | 78.4 Ų | 78.4 | 43% | 0.427 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65 | -45.3 | -179.8 | 76.5 | 0 | 0 | 0 | 0 | 112 | L228 K229 F230 A234 Q235 A236 | L228-S232 WeakPolarHBondContact O-CB 3.39Å; L228-S232 PolarHBondContact O-N 3.24Å; K229-S232 PolarHBondContact O-N 2.81Å; K229-S232 VanDerWaalsContact O-N 3.16Å; K229-S232 PolarHBondContact O-OG 3.1Å; F230-S232 VanDerWaalsContact C-N 3.34Å; F230-S232 PolarHBondContact O-N 3.39Å; S232-A234 PolarHBondContact O-N 3.29Å; S232-Q235 WeakPolarHBondContact O-CB 3.44Å; S232-Q235 PolarHBondContact O-N 3.44Å; S232-A236 PolarHBondContact O-N 3.12Å |
| 233 | E | 88.1 | Confident | 84.3 | Confident | 123 Ų | 123 | 77 Ų | 77 | 58% | 0.575 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -62.2 | -44.3 | 175.6 | -70.6 | 170.5 | -165.8 | 0 | 0 | 111.8 | K229 Q235 A236 K237 | K229-E233 WeakPolarHBondContact O-CG 3.34Å; K229-E233 PolarHBondContact O-N 3.4Å; E233-Q235 VanDerWaalsContact C-N 3.25Å; E233-Q235 PolarHBondContact O-N 3.43Å; E233-A236 PolarHBondContact O-N 3.14Å; E233-K237 WeakPolarHBondContact O-CB 3.44Å; E233-K237 PolarHBondContact O-N 2.7Å |
| 234 | A | 82.3 | Confident | 82.4 | Confident | 23 Ų | 23 | 84.1 Ų | 84.1 | 19% | 0.19 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65.5 | -29 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | F230 L231 S232 K238 R255 | F230-A234 HydrophobicContact CE1-CB 4.43Å; F230-A234 VanDerWaalsContact O-CB 3.28Å; F230-A234 WeakPolarHBondContact O-CB 3.29Å; F230-A234 PolarHBondContact O-N 3.24Å; L231-A234 PolarHBondContact O-N 2.96Å; S232-A234 PolarHBondContact O-N 3.29Å; A234-K238 PolarHBondContact O-N 2.86Å; A234-R255 PolarHBondContact O-NH1 3.41Å; A234-R255 PolarHBondContact O-NH2 3.39Å |
| 235 | Q | 83.9 | Confident | 80.5 | Confident | 80 Ų | 80 | 89.8 Ų | 89.8 | 37% | 0.374 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -74.7 | -44.6 | 172 | -76.9 | 178.3 | -45.5 | 0 | 0 | 111.6 | L231 S232 E233 K238 R239 | L231-Q235 WeakPolarHBondContact O-CB 3.47Å; L231-Q235 VanDerWaalsContact O-CG 3.31Å; L231-Q235 WeakPolarHBondContact O-CG 3.43Å; L231-Q235 PolarHBondContact O-N 3.32Å; S232-Q235 WeakPolarHBondContact O-CB 3.44Å; S232-Q235 PolarHBondContact O-N 3.44Å; E233-Q235 VanDerWaalsContact C-N 3.25Å; E233-Q235 PolarHBondContact O-N 3.43Å; Q235-K238 WeakPolarHBondContact O-CB 3.32Å; Q235-K238 PolarHBondContact O-N 3.05Å; Q235-R239 PolarHBondContact O-N 3.35Å |
| 236 | A | 86.1 | Confident | 78.6 | Confident | 42 Ų | 42 | 97.8 Ų | 97.8 | 35% | 0.347 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | S232 E233 K238 R239 R240 | S232-A236 PolarHBondContact O-N 3.12Å; E233-A236 PolarHBondContact O-N 3.14Å; A236-K238 VanDerWaalsContact C-N 3.29Å; A236-K238 PolarHBondContact O-N 3.44Å; A236-R239 PolarHBondContact O-N 2.97Å; A236-R240 WeakPolarHBondContact O-CG 3.47Å; A236-R240 PolarHBondContact O-N 2.88Å |
| 237 | K | 84.2 | Confident | 76.6 | Confident | 164 Ų | 164 | 107.3 Ų | 107.3 | 71% | 0.713 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.4 | -37.1 | 175.6 | -169 | 171.3 | -175.4 | 171 | 0 | 112.2 | E233 R240 A241 | E233-K237 WeakPolarHBondContact O-CB 3.44Å; E233-K237 PolarHBondContact O-N 2.7Å; K237-R240 PolarHBondContact O-N 3.33Å; K237-A241 WeakPolarHBondContact O-CB 3.37Å; K237-A241 PolarHBondContact O-N 2.88Å |
| 238 | K | 73.8 | Confident | 74.7 | Confident | 79 Ų | 79 | 114.5 Ų | 114.5 | 34% | 0.343 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 174 | -177.2 | -177 | 173.8 | -177.4 | 0 | 111 | A234 Q235 A236 R240 A241 F242 | A234-K238 PolarHBondContact O-N 2.86Å; Q235-K238 WeakPolarHBondContact O-CB 3.32Å; Q235-K238 PolarHBondContact O-N 3.05Å; A236-K238 VanDerWaalsContact C-N 3.29Å; A236-K238 PolarHBondContact O-N 3.44Å; K238-R240 VanDerWaalsContact C-N 3.27Å; K238-R240 PolarHBondContact O-N 3.39Å; K238-A241 PolarHBondContact O-N 2.96Å; K238-F242 HydrophobicContact CG-CD2 3.65Å; K238-F242 HydrophobicContact CG-CE2 4.3Å; K238-F242 HydrophobicContact CG-CG 4.37Å; K238-F242 WeakPolarHBondContact O-CB 3.36Å; K238-F242 PolarHBondContact O-N 3.49Å |
| 239 | R | 79.6 | Confident | 72.5 | Confident | 211 Ų | 211 | 114.6 Ų | 114.6 | 80% | 0.796 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -58.8 | -40 | 179 | -72.2 | -176.6 | 178.7 | -168.8 | 0.1 | 111.7 | Q235 A236 | Q235-R239 PolarHBondContact O-N 3.35Å; A236-R239 PolarHBondContact O-N 2.97Å |
| 240 | R | 80.8 | Confident | 70.5 | Confident | 220 Ų | 220 | 114.9 Ų | 114.9 | 83% | 0.83 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.4 | -40.8 | 175.9 | -65.2 | 178.5 | -173.5 | 178 | 1.9 | 113.1 | A236 K237 K238 | A236-R240 WeakPolarHBondContact O-CG 3.47Å; A236-R240 PolarHBondContact O-N 2.88Å; K237-R240 PolarHBondContact O-N 3.33Å; K238-R240 VanDerWaalsContact C-N 3.27Å; K238-R240 PolarHBondContact O-N 3.39Å |
| 241 | A | 71.5 | Confident | 68.5 | Low | 74 Ų | 74 | 120.9 Ų | 120.9 | 61% | 0.612 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -79.7 | -27.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | K237 K238 | K237-A241 WeakPolarHBondContact O-CB 3.37Å; K237-A241 PolarHBondContact O-N 2.88Å; K238-A241 PolarHBondContact O-N 2.96Å |
| 242 | F | 66 | Low | 66.5 | Low | 73 Ų | 73 | 126.8 Ų | 126.8 | 32% | 0.32 | 61% | 0.61 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.2 | 16.8 | -175.6 | -83.5 | -87.4 | 0 | 0 | 0 | 114.4 | K238 N244 N245 R247 P249 | K238-F242 HydrophobicContact CG-CD2 3.65Å; K238-F242 HydrophobicContact CG-CE2 4.3Å; K238-F242 HydrophobicContact CG-CG 4.37Å; K238-F242 WeakPolarHBondContact O-CB 3.36Å; K238-F242 PolarHBondContact O-N 3.49Å; F242-N244 PolarHBondContact O-N 3.32Å; F242-N244 VanDerWaalsContact O-N 3.16Å; F242-N245 WeakPolarHBondContact CD1-O 3.28Å; F242-N245 VanDerWaalsContact CE1-O 3.22Å; F242-N245 WeakPolarHBondContact CE1-O 3.4Å; F242-R247 VanDerWaalsContact CE1-O 3.29Å; F242-R247 WeakPolarHBondContact CE1-O 3.46Å; F242-R247 WeakPolarHBondContact CZ-O 3.12Å; F242-P249 HydrophobicContact CE2-CG 4.45Å; F242-P249 HydrophobicContact CZ-CG 4.15Å |
| 243 | G | 58.1 | Low | 64.6 | Low | 65 Ų | 65 | 129.1 Ų | 129.1 | 67% | 0.67 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -61.9 | -14.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 244 | N | 53.9 | Low | 63.1 | Low | 154 Ų | 154 | 126 Ų | 126 | 82% | 0.824 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -151.7 | 9.3 | -177.2 | -137.8 | 13.7 | 0 | 0 | 0 | 118.5 | F242 | F242-N244 PolarHBondContact O-N 3.32Å; F242-N244 VanDerWaalsContact O-N 3.16Å |
| 245 | N | 54.2 | Low | 62.2 | Low | 125 Ų | 125 | 128.1 Ų | 128.1 | 67% | 0.668 | 62% | 0.617 | S | S | * | * | trans | -153 | 128.2 | 176.1 | -116.3 | -28.3 | 0 | 0 | 0 | 114.7 | F242 R247 | F242-N245 WeakPolarHBondContact CD1-O 3.28Å; F242-N245 VanDerWaalsContact CE1-O 3.22Å; F242-N245 WeakPolarHBondContact CE1-O 3.4Å; N245-R247 PolarHBondContact O-N 2.83Å; N245-R247 VanDerWaalsContact O-N 3.12Å | ||
| 246 | R | 56.8 | Low | 61.6 | Low | 242 Ų | 242 | 127.2 Ų | 127.2 | 91% | 0.913 | 62% | 0.619 | S | S | * | * | trans | -74.7 | 11.3 | -171.6 | -78.1 | -175.9 | 175 | 179.5 | -0.3 | 115.8 | Q248 | R246-Q248 PolarHBondContact O-N 3.25Š| ||
| 247 | R | 51.1 | Low | 61.2 | Low | 220 Ų | 220 | 127.8 Ų | 127.8 | 83% | 0.83 | 62% | 0.618 | S | S | * | * | trans | -81 | 92.4 | -177.4 | -69.4 | -171.8 | 178.8 | 175 | 0.6 | 111.1 | F242 N245 | F242-R247 VanDerWaalsContact CE1-O 3.29Å; F242-R247 WeakPolarHBondContact CE1-O 3.46Å; F242-R247 WeakPolarHBondContact CZ-O 3.12Å; N245-R247 PolarHBondContact O-N 2.83Å; N245-R247 VanDerWaalsContact O-N 3.12Å | ||
| 248 | Q | 51.1 | Low | 61.2 | Low | 151 Ų | 151 | 120.1 Ų | 120.1 | 71% | 0.706 | 59% | 0.585 | S | S | * | * | trans | -61.3 | 126.4 | 173.8 | -70.1 | -171.8 | 14.5 | 0 | 0 | 110.6 | R246 | R246-Q248 PolarHBondContact O-N 3.25Š| ||
| 249 | P | 47 | Very low | 61.7 | Low | 82 Ų | 82 | 121 Ų | 121 | 53% | 0.532 | 59% | 0.589 | S | S | . | * | trans | -87.4 | 145.4 | 168.6 | 8 | 13.4 | 0 | 0 | 0 | 108.6 | F242 R251 | F242-P249 HydrophobicContact CE2-CG 4.45Å; F242-P249 HydrophobicContact CZ-CG 4.15Å; P249-R251 PolarHBondContact O-N 3.08Å | ||
| 250 | T | 48.4 | Very low | 62 | Low | 142 Ų | 142 | 111.4 Ų | 111.4 | 87% | 0.871 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -45.4 | -3.7 | 177.7 | 50.3 | 0 | 0 | 0 | 0 | 117.3 | Y252 | T250-Y252 PolarHBondContact O-N 3.19Š|
| 251 | R | 47.5 | Very low | 62.2 | Low | 190 Ų | 190 | 101.3 Ų | 101.3 | 72% | 0.717 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | 1.9 | 177.4 | -128.9 | 174.9 | -174.6 | 178.6 | -0.4 | 114.8 | P249 | P249-R251 PolarHBondContact O-N 3.08Š|
| 252 | Y | 44.8 | Very low | 63.2 | Low | 141 Ų | 141 | 98.1 Ų | 98.1 | 55% | 0.553 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.6 | -38 | -177 | -164.8 | -100 | 0 | 0 | 0 | 113 | T250 S254 R255 | T250-Y252 PolarHBondContact O-N 3.19Å; Y252-S254 PolarHBondContact O-N 3.24Å; Y252-R255 PolarHBondContact O-N 2.83Å |
| 253 | V | 47 | Very low | 64.4 | Low | 110 Ų | 110 | 97 Ų | 97 | 67% | 0.667 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -63 | -41.8 | -175.2 | -178.3 | 0 | 0 | 0 | 0 | 112 | R255 S256 | V253-R255 PolarHBondContact O-N 3.24Å; V253-S256 PolarHBondContact O-N 3.01Å |
| 254 | S | 56.9 | Low | 65.9 | Low | 59 Ų | 59 | 94.2 Ų | 94.2 | 41% | 0.413 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.8 | -26.3 | -179.7 | -175.6 | 0 | 0 | 0 | 0 | 113.5 | R124 Y252 T258 | R124-S254 PolarHBondContact NH2-O 3.05Å; R124-S254 PolarHBondContact NH2-OG 3.17Å; Y252-S254 PolarHBondContact O-N 3.24Å; S254-T258 PolarHBondContact O-N 3.43Å; S254-T258 PolarHBondContact O-OG1 2.98Å |
| 255 | R | 63.1 | Low | 67.7 | Low | 67 Ų | 67 | 87 Ų | 87 | 25% | 0.253 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72 | -40.4 | -177.7 | -67.7 | -177.8 | -178.3 | -148.2 | -4.5 | 112.4 | A234 Y252 V253 T258 K259 | A234-R255 PolarHBondContact O-NH1 3.41Å; A234-R255 PolarHBondContact O-NH2 3.39Å; Y252-R255 PolarHBondContact O-N 2.83Å; V253-R255 PolarHBondContact O-N 3.24Å; R255-T258 PolarHBondContact O-N 3.44Å; R255-K259 WeakPolarHBondContact O-CG 3.15Å; R255-K259 PolarHBondContact O-N 3.17Å; R255-K259 VanDerWaalsContact O-N 3.11Å |
| 256 | S | 71.1 | Confident | 69.5 | Low | 60 Ų | 60 | 82.6 Ų | 82.6 | 42% | 0.42 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65 | -47.2 | -178.2 | -157.6 | 0 | 0 | 0 | 0 | 111 | V253 T258 K259 L260 | V253-S256 PolarHBondContact O-N 3.01Å; S256-T258 VanDerWaalsContact C-N 3.3Å; S256-T258 PolarHBondContact O-N 3.34Å; S256-K259 PolarHBondContact O-N 3.45Å; S256-L260 PolarHBondContact O-N 2.53Å; S256-L260 VanDerWaalsContact O-N 3.09Å |
| 257 | T | 78.1 | Confident | 71.2 | Confident | 55 Ų | 55 | 73.7 Ų | 73.7 | 34% | 0.337 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.4 | -37.5 | 178.9 | -42.9 | 0 | 0 | 0 | 0 | 112.1 | L261 | T257-L261 VanDerWaalsContact O-CB 3.27Å; T257-L261 WeakPolarHBondContact O-CB 3.27Å; T257-L261 PolarHBondContact O-N 3.3Å |
| 258 | T | 83.4 | Confident | 73.1 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 2% | 0.018 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -69.5 | -40.5 | 179 | -49.2 | 0 | 0 | 0 | 0 | 111.8 | R124 I128 L227 L231 S254 R255 S256 L261 V262 | R124-T258 PolarHBondContact NH2-OG1 2.92Å; I128-T258 HydrophobicContact CD1-CG2 3.43Å; I128-T258 VanDerWaalsContact CD1-CG2 3.43Å; L227-T258 HydrophobicContact CD2-CG2 4.37Å; L231-T258 HydrophobicContact CD1-CG2 4.02Å; L231-T258 HydrophobicContact CD2-CG2 3.88Å; L231-T258 HydrophobicContact CG-CG2 4.06Å; S254-T258 PolarHBondContact O-N 3.43Å; S254-T258 PolarHBondContact O-OG1 2.98Å; R255-T258 PolarHBondContact O-N 3.44Å; S256-T258 VanDerWaalsContact C-N 3.3Å; S256-T258 PolarHBondContact O-N 3.34Å; T258-L261 PolarHBondContact O-N 2.99Å; T258-V262 HydrophobicContact CG2-CG2 4.42Å; T258-V262 WeakPolarHBondContact O-CB 3.41Å; T258-V262 VanDerWaalsContact O-CG2 3.3Å; T258-V262 WeakPolarHBondContact O-CG2 3.32Å; T258-V262 PolarHBondContact O-N 3.13Å |
| 259 | K | 85.4 | Confident | 75.2 | Confident | 97 Ų | 97 | 56.7 Ų | 56.7 | 42% | 0.422 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.3 | -45.8 | 175.9 | -75 | -177.8 | 175 | -168.6 | 0 | 111.9 | L231 R255 S256 L261 V262 T263 | L231-K259 HydrophobicContact CD1-CG 4.32Å; R255-K259 WeakPolarHBondContact O-CG 3.15Å; R255-K259 PolarHBondContact O-N 3.17Å; R255-K259 VanDerWaalsContact O-N 3.11Å; S256-K259 PolarHBondContact O-N 3.45Å; K259-L261 VanDerWaalsContact C-N 3.35Å; K259-V262 PolarHBondContact O-N 2.85Å; K259-T263 PolarHBondContact O-N 2.68Å; K259-T263 PolarHBondContact O-OG1 3.42Å |
| 260 | L | 86.3 | Confident | 77.4 | Confident | 10 Ų | 10 | 58.4 Ų | 58.4 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.8 | -51.3 | 174.4 | 166.5 | 53.1 | 0 | 0 | 0 | 111.3 | S256 V262 T263 I264 L315 L316 M319 | S256-L260 PolarHBondContact O-N 2.53Å; S256-L260 VanDerWaalsContact O-N 3.09Å; L260-V262 PolarHBondContact O-N 3.09Å; L260-T263 WeakPolarHBondContact O-CA 3.11Å; L260-T263 WeakPolarHBondContact O-CB 3.39Å; L260-T263 PolarHBondContact O-N 2.91Å; L260-T263 VanDerWaalsContact O-N 3.07Å; L260-I264 HydrophobicContact CD1-CD1 3.52Å; L260-I264 HydrophobicContact CD1-CG1 3.93Å; L260-I264 HydrophobicContact CG-CD1 4.02Å; L260-I264 PolarHBondContact O-N 3.06Å; L260-L315 HydrophobicContact CD1-CB 4.14Å; L260-L316 HydrophobicContact CD2-CD2 4.13Å; L260-M319 HydrophobicContact CB-CB 4.15Å; L260-M319 HydrophobicContact CB-CE 4.45Å; L260-M319 HydrophobicContact CD1-CB 3.59Å; L260-M319 HydrophobicContact CD1-CG 4.19Å; L260-M319 HydrophobicContact CD1-SD 3.88Å; L260-M319 HydrophobicContact CD2-CB 4.28Å; L260-M319 HydrophobicContact CG-CB 4.21Å |
| 261 | L | 85.2 | Confident | 79.6 | Confident | 7 Ų | 7 | 52.2 Ų | 52.2 | 4% | 0.037 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 179.4 | 176.8 | 148.9 | 0 | 0 | 0 | 112.5 | F120 R124 L227 T257 T258 K259 T263 I264 L265 | F120-L261 HydrophobicContact CD1-CD1 4.26Å; F120-L261 HydrophobicContact CD2-CD1 4.08Å; F120-L261 HydrophobicContact CE1-CD1 3.59Å; F120-L261 HydrophobicContact CE1-CG 4.08Å; F120-L261 HydrophobicContact CE2-CD1 3.37Å; F120-L261 HydrophobicContact CG-CD1 4.49Å; F120-L261 HydrophobicContact CZ-CD1 3.14Å; F120-L261 HydrophobicContact CZ-CG 4.1Å; R124-L261 HydrophobicContact CB-CD1 3.95Å; R124-L261 HydrophobicContact CB-CD2 4.19Å; R124-L261 HydrophobicContact CG-CD1 3.7Å; R124-L261 HydrophobicContact CG-CD2 3.87Å; R124-L261 HydrophobicContact CG-CG 4.46Å; L227-L261 HydrophobicContact CD1-CD2 3.87Å; T257-L261 VanDerWaalsContact O-CB 3.27Å; T257-L261 WeakPolarHBondContact O-CB 3.27Å; T257-L261 PolarHBondContact O-N 3.3Å; T258-L261 PolarHBondContact O-N 2.99Å; K259-L261 VanDerWaalsContact C-N 3.35Å; L261-T263 PolarHBondContact O-N 2.96Å; L261-I264 PolarHBondContact O-N 2.84Å; L261-L265 HydrophobicContact CD2-CD1 3.38Å; L261-L265 HydrophobicContact CD2-CG 4.31Å; L261-L265 HydrophobicContact CG-CD1 3.83Å; L261-L265 HydrophobicContact CG-CG 4.34Å; L261-L265 WeakPolarHBondContact O-CB 3.27Å; L261-L265 VanDerWaalsContact O-CG 3.22Å; L261-L265 WeakPolarHBondContact O-CG 3.41Å; L261-L265 PolarHBondContact O-N 3.48Å |
| 262 | V | 91.4 | Very high | 81.8 | Confident | 8 Ų | 8 | 43.2 Ų | 43.2 | 5% | 0.048 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -61 | -36.6 | 176.3 | 168.5 | 0 | 0 | 0 | 0 | 110.9 | I224 L227 L228 L231 T258 K259 L260 S266 | I224-V262 HydrophobicContact CG2-CG1 4.46Å; L227-V262 HydrophobicContact CB-CG2 3.75Å; L227-V262 HydrophobicContact CD1-CG2 4.11Å; L228-V262 HydrophobicContact CD2-CG1 3.56Å; L228-V262 HydrophobicContact CG-CG1 3.9Å; L231-V262 HydrophobicContact CD1-CG2 4Å; T258-V262 HydrophobicContact CG2-CG2 4.42Å; T258-V262 WeakPolarHBondContact O-CB 3.41Å; T258-V262 VanDerWaalsContact O-CG2 3.3Å; T258-V262 WeakPolarHBondContact O-CG2 3.32Å; T258-V262 PolarHBondContact O-N 3.13Å; K259-V262 PolarHBondContact O-N 2.85Å; L260-V262 PolarHBondContact O-N 3.09Å; V262-S266 VanDerWaalsContact O-CB 3.26Å; V262-S266 WeakPolarHBondContact O-CB 3.49Å; V262-S266 PolarHBondContact O-N 2.65Å; V262-S266 PolarHBondContact O-OG 3.05Å |
| 263 | T | 91.1 | Very high | 84.1 | Confident | 50 Ų | 50 | 39.8 Ų | 39.8 | 31% | 0.307 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.2 | -51.5 | 177.2 | -50.6 | 0 | 0 | 0 | 0 | 110.9 | K259 L260 L261 L265 S266 I267 L315 M319 | K259-T263 PolarHBondContact O-N 2.68Å; K259-T263 PolarHBondContact O-OG1 3.42Å; L260-T263 WeakPolarHBondContact O-CA 3.11Å; L260-T263 WeakPolarHBondContact O-CB 3.39Å; L260-T263 PolarHBondContact O-N 2.91Å; L260-T263 VanDerWaalsContact O-N 3.07Å; L261-T263 PolarHBondContact O-N 2.96Å; T263-L265 PolarHBondContact O-N 2.89Å; T263-S266 PolarHBondContact O-N 3.35Å; T263-I267 PolarHBondContact O-N 3.4Å; T263-I267 VanDerWaalsContact O-N 3.13Å; T263-L315 HydrophobicContact CG2-CD1 4.05Å; T263-L315 HydrophobicContact CG2-CD2 3.97Å; T263-M319 HydrophobicContact CG2-SD 4.04Å |
| 264 | I | 89.4 | Confident | 86.4 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.031 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -54.9 | -52.8 | 177.3 | -72.8 | 169.1 | 0 | 0 | 0 | 110.7 | L57 L260 L261 S266 I267 F268 N312 L315 L316 | L57-I264 HydrophobicContact CD2-CD1 4.43Å; L260-I264 HydrophobicContact CD1-CD1 3.52Å; L260-I264 HydrophobicContact CD1-CG1 3.93Å; L260-I264 HydrophobicContact CG-CD1 4.02Å; L260-I264 PolarHBondContact O-N 3.06Å; L261-I264 PolarHBondContact O-N 2.84Å; I264-S266 VanDerWaalsContact C-N 3.28Å; I264-S266 PolarHBondContact O-N 3.29Å; I264-I267 PolarHBondContact O-N 3Å; I264-F268 PolarHBondContact O-N 3.36Å; I264-N312 WeakPolarHBondContact CG2-OD1 3.28Å; I264-L315 HydrophobicContact CB-CD1 4.16Å; I264-L315 HydrophobicContact CD1-CB 4.3Å; I264-L315 HydrophobicContact CG1-CB 3.77Å; I264-L315 HydrophobicContact CG1-CD1 3.47Å; I264-L315 VanDerWaalsContact CG1-CD1 3.47Å; I264-L315 HydrophobicContact CG1-CG 4.3Å; I264-L316 HydrophobicContact CD1-CD2 4.4Å; I264-L316 HydrophobicContact CD1-CG 4.45Å |
| 265 | L | 91.6 | Very high | 88.2 | Confident | 2 Ų | 2 | 34.3 Ų | 34.3 | 1% | 0.01 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.9 | -28.6 | -177 | -67.7 | 178.1 | 0 | 0 | 0 | 113.1 | A117 F120 S121 L220 I224 L261 T263 L269 | A117-L265 HydrophobicContact CB-CD2 4.05Å; F120-L265 HydrophobicContact CD1-CD2 4.26Å; S121-L265 VanDerWaalsContact CB-CD1 3.43Å; L220-L265 HydrophobicContact CD1-CB 4.12Å; L220-L265 HydrophobicContact CD1-CD1 4.33Å; L220-L265 HydrophobicContact CD1-CD2 4.03Å; L220-L265 HydrophobicContact CD1-CG 4.4Å; I224-L265 HydrophobicContact CD1-CB 3.9Å; I224-L265 WeakPolarHBondContact CD1-O 3.44Å; I224-L265 HydrophobicContact CG1-CB 4.09Å; L261-L265 HydrophobicContact CD2-CD1 3.38Å; L261-L265 HydrophobicContact CD2-CG 4.31Å; L261-L265 HydrophobicContact CG-CD1 3.83Å; L261-L265 HydrophobicContact CG-CG 4.34Å; L261-L265 WeakPolarHBondContact O-CB 3.27Å; L261-L265 VanDerWaalsContact O-CG 3.22Å; L261-L265 WeakPolarHBondContact O-CG 3.41Å; L261-L265 PolarHBondContact O-N 3.48Å; T263-L265 PolarHBondContact O-N 2.89Å; L265-L269 WeakPolarHBondContact O-CB 3.26Å; L265-L269 PolarHBondContact O-N 3.13Å |
| 266 | S | 92.8 | Very high | 89.8 | Confident | 33 Ų | 33 | 31.3 Ų | 31.3 | 23% | 0.231 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -70.7 | -40.4 | 175.7 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | V262 T263 I264 F268 L269 I270 | V262-S266 VanDerWaalsContact O-CB 3.26Å; V262-S266 WeakPolarHBondContact O-CB 3.49Å; V262-S266 PolarHBondContact O-N 2.65Å; V262-S266 PolarHBondContact O-OG 3.05Å; T263-S266 PolarHBondContact O-N 3.35Å; I264-S266 VanDerWaalsContact C-N 3.28Å; I264-S266 PolarHBondContact O-N 3.29Å; S266-F268 VanDerWaalsContact C-N 3.34Å; S266-L269 PolarHBondContact O-N 2.99Å; S266-I270 WeakPolarHBondContact O-CD1 3.36Å; S266-I270 VanDerWaalsContact O-CG1 3.24Å; S266-I270 WeakPolarHBondContact O-CG1 3.35Å; S266-I270 PolarHBondContact O-N 3.36Å |
| 267 | I | 92 | Very high | 91 | Very high | 54 Ų | 54 | 33.1 Ų | 33.1 | 28% | 0.277 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -61.4 | -48.4 | 173.5 | -63.7 | -172.9 | 0 | 0 | 0 | 109.5 | T263 I264 L269 I270 T271 A311 L315 | T263-I267 PolarHBondContact O-N 3.4Å; T263-I267 VanDerWaalsContact O-N 3.13Å; I264-I267 PolarHBondContact O-N 3Å; I267-L269 VanDerWaalsContact C-N 3.26Å; I267-L269 PolarHBondContact O-N 3.34Å; I267-I270 PolarHBondContact O-N 3.15Å; I267-I270 VanDerWaalsContact O-N 3.11Å; I267-T271 HydrophobicContact CG2-CG2 4.35Å; I267-T271 PolarHBondContact O-N 2.98Å; I267-T271 PolarHBondContact O-OG1 2.9Å; I267-A311 HydrophobicContact CD1-CB 4.31Å; I267-A311 HydrophobicContact CG2-CB 3.93Å; I267-L315 HydrophobicContact CD1-CD1 3.68Å; I267-L315 HydrophobicContact CD1-CG 4.43Å; I267-L315 HydrophobicContact CG1-CD1 4.49Å |
| 268 | F | 91.2 | Very high | 91.8 | Very high | 3 Ų | 3 | 31.4 Ų | 31.4 | 1% | 0.013 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -52.4 | -45.6 | 176.7 | -153.4 | -68.5 | 0 | 0 | 0 | 111.9 | L114 A117 L220 I264 S266 T271 E272 N308 | L114-F268 HydrophobicContact CB-CE1 4.02Å; L114-F268 HydrophobicContact CD1-CD1 4.03Å; L114-F268 HydrophobicContact CD1-CE1 3.65Å; L114-F268 HydrophobicContact CG-CE1 4.42Å; A117-F268 HydrophobicContact CB-CD1 4.01Å; A117-F268 HydrophobicContact CB-CD2 4.17Å; A117-F268 HydrophobicContact CB-CE1 4.03Å; A117-F268 HydrophobicContact CB-CE2 4.17Å; A117-F268 HydrophobicContact CB-CG 4.1Å; A117-F268 HydrophobicContact CB-CZ 4.1Å; L220-F268 HydrophobicContact CD2-CD1 4.37Å; I264-F268 PolarHBondContact O-N 3.36Å; S266-F268 VanDerWaalsContact C-N 3.34Å; F268-T271 PolarHBondContact O-OG1 2.69Å; F268-E272 HydrophobicContact CD1-CG 3.79Å; F268-E272 HydrophobicContact CE1-CG 3.74Å; F268-E272 VanDerWaalsContact O-CB 3.25Å; F268-E272 WeakPolarHBondContact O-CB 3.4Å; F268-E272 WeakPolarHBondContact O-CG 3.39Å; F268-E272 PolarHBondContact O-N 3.4Å; F268-E272 VanDerWaalsContact O-N 3.13Å; F268-N308 WeakPolarHBondContact CA-OD1 3.42Å; F268-N308 WeakPolarHBondContact CD2-ND2 3.21Å; F268-N308 VanDerWaalsContact CD2-OD1 3.31Å; F268-N308 WeakPolarHBondContact CD2-OD1 3.42Å; F268-N308 WeakPolarHBondContact CE2-ND2 3.38Å; F268-N308 VanDerWaalsContact CG-ND2 3.35Å; F268-N308 WeakPolarHBondContact CG-ND2 3.14Å; F268-N308 WeakPolarHBondContact CZ-ND2 3.35Å |
| 269 | L | 94.5 | Very high | 92.4 | Very high | 12 Ų | 12 | 31.7 Ų | 31.7 | 6% | 0.063 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.6 | -44.4 | 178.7 | -177.7 | 66.6 | 0 | 0 | 0 | 112.7 | C217 L220 F221 I224 L265 S266 I267 T271 E272 I273 | C217-L269 HydrophobicContact CB-CD1 4.17Å; L220-L269 HydrophobicContact CB-CD1 4.5Å; L220-L269 HydrophobicContact CD2-CB 3.95Å; L220-L269 HydrophobicContact CD2-CD1 4.13Å; L220-L269 HydrophobicContact CG-CB 4.37Å; L220-L269 HydrophobicContact CG-CD1 4.35Å; F221-L269 HydrophobicContact CB-CD1 4.42Å; F221-L269 HydrophobicContact CB-CD2 3.76Å; F221-L269 HydrophobicContact CD2-CD2 3.61Å; F221-L269 HydrophobicContact CG-CD2 4.17Å; I224-L269 HydrophobicContact CD1-CB 4.16Å; I224-L269 HydrophobicContact CD1-CD2 4.06Å; L265-L269 WeakPolarHBondContact O-CB 3.26Å; L265-L269 PolarHBondContact O-N 3.13Å; S266-L269 PolarHBondContact O-N 2.99Å; I267-L269 VanDerWaalsContact C-N 3.26Å; I267-L269 PolarHBondContact O-N 3.34Å; L269-T271 VanDerWaalsContact C-N 3.31Å; L269-T271 PolarHBondContact O-N 2.92Å; L269-E272 PolarHBondContact O-N 3.48Å; L269-I273 HydrophobicContact CD1-CD1 4.04Å; L269-I273 HydrophobicContact CD1-CG1 3.95Å; L269-I273 HydrophobicContact CD2-CD1 4.32Å; L269-I273 HydrophobicContact CG-CD1 3.8Å; L269-I273 HydrophobicContact CG-CG1 4.16Å; L269-I273 VanDerWaalsContact O-CG1 3.28Å; L269-I273 WeakPolarHBondContact O-CG1 3.46Å; L269-I273 PolarHBondContact O-N 2.94Å |
| 270 | I | 94.8 | Very high | 92.9 | Very high | 118 Ų | 118 | 27.5 Ų | 27.5 | 61% | 0.605 | 15% | 0.153 | S | C | * | . | H | α-helix | trans | -62.6 | -40.8 | -177.5 | -71 | 164.7 | 0 | 0 | 0 | 110.8 | S266 I267 P274 | S266-I270 WeakPolarHBondContact O-CD1 3.36Å; S266-I270 VanDerWaalsContact O-CG1 3.24Å; S266-I270 WeakPolarHBondContact O-CG1 3.35Å; S266-I270 PolarHBondContact O-N 3.36Å; I267-I270 PolarHBondContact O-N 3.15Å; I267-I270 VanDerWaalsContact O-N 3.11Å; I270-P274 WeakPolarHBondContact O-CD 2.9Å |
| 271 | T | 93.4 | Very high | 93.3 | Very high | 12 Ų | 12 | 30.2 Ų | 30.2 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -72.9 | -31.7 | 178.5 | 51.9 | 0 | 0 | 0 | 0 | 112.8 | I267 F268 L269 N308 | I267-T271 HydrophobicContact CG2-CG2 4.35Å; I267-T271 PolarHBondContact O-N 2.98Å; I267-T271 PolarHBondContact O-OG1 2.9Å; F268-T271 PolarHBondContact O-OG1 2.69Å; L269-T271 VanDerWaalsContact C-N 3.31Å; L269-T271 PolarHBondContact O-N 2.92Å; T271-N308 HydrophobicContact CG2-CB 4.19Å; T271-N308 WeakPolarHBondContact OG1-CB 3.47Å |
| 272 | E | 93.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -85.8 | -24.4 | -177.4 | -73.1 | -73 | 166.1 | 0 | 0 | 113.9 | L114 K213 F268 L269 Q275 A276 | L114-E272 HydrophobicContact CD1-CB 4.43Å; L114-E272 HydrophobicContact CD1-CG 4.21Å; K213-E272 IonicContact NZ-OE2 3.73Å; K213-E272 PolarHBondContact NZ-OE2 2.92Å; F268-E272 HydrophobicContact CD1-CG 3.79Å; F268-E272 HydrophobicContact CE1-CG 3.74Å; F268-E272 VanDerWaalsContact O-CB 3.25Å; F268-E272 WeakPolarHBondContact O-CB 3.4Å; F268-E272 WeakPolarHBondContact O-CG 3.39Å; F268-E272 PolarHBondContact O-N 3.4Å; F268-E272 VanDerWaalsContact O-N 3.13Å; L269-E272 PolarHBondContact O-N 3.48Å; E272-Q275 PolarHBondContact O-N 3Å; E272-Q275 PolarHBondContact OE2-OE1 2.03Å; E272-A276 WeakPolarHBondContact O-CB 3.22Å; E272-A276 PolarHBondContact O-N 3.42Å |
| 273 | I | 94.6 | Very high | 93.8 | Very high | 68 Ų | 68 | 29.9 Ų | 29.9 | 35% | 0.349 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -55.7 | -50.5 | 179.3 | -82.5 | 170.4 | 0 | 0 | 0 | 112.4 | L269 Q275 A276 I277 | L269-I273 HydrophobicContact CD1-CD1 4.04Å; L269-I273 HydrophobicContact CD1-CG1 3.95Å; L269-I273 HydrophobicContact CD2-CD1 4.32Å; L269-I273 HydrophobicContact CG-CD1 3.8Å; L269-I273 HydrophobicContact CG-CG1 4.16Å; L269-I273 VanDerWaalsContact O-CG1 3.28Å; L269-I273 WeakPolarHBondContact O-CG1 3.46Å; L269-I273 PolarHBondContact O-N 2.94Å; I273-Q275 PolarHBondContact O-N 2.75Å; I273-A276 PolarHBondContact O-N 3.41Å; I273-A276 VanDerWaalsContact O-N 3.14Å; I273-I277 HydrophobicContact CG2-CD1 3.69Å; I273-I277 HydrophobicContact CG2-CG1 4.37Å; I273-I277 WeakPolarHBondContact O-CG1 3.44Å; I273-I277 PolarHBondContact O-N 3.49Å |
| 274 | P | 95 | Very high | 93.9 | Very high | 46 Ų | 46 | 30.9 Ų | 30.9 | 30% | 0.299 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -55 | -42.7 | 178.3 | -27.5 | 35.5 | 0 | 0 | 0 | 112.1 | I270 I277 V278 L301 L304 | I270-P274 WeakPolarHBondContact O-CD 2.9Å; P274-I277 PolarHBondContact O-N 2.69Å; P274-V278 WeakPolarHBondContact O-CG2 3.4Å; P274-V278 PolarHBondContact O-N 3.37Å; P274-L301 HydrophobicContact CB-CD2 3.96Å; P274-L304 HydrophobicContact CB-CD1 4.18Å; P274-L304 HydrophobicContact CG-CD1 4.11Å |
| 275 | Q | 94.8 | Very high | 94 | Very high | 9 Ų | 9 | 36.9 Ų | 36.9 | 4% | 0.042 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.3 | -42.1 | 178.8 | -51.3 | -174.1 | 13.4 | 0 | 0 | 112.1 | K213 E272 I273 I277 V278 A279 L301 S305 | K213-Q275 HydrophobicContact CD-CB 4.32Å; E272-Q275 PolarHBondContact O-N 3Å; E272-Q275 PolarHBondContact OE2-OE1 2.03Å; I273-Q275 PolarHBondContact O-N 2.75Å; Q275-I277 VanDerWaalsContact C-N 3.31Å; Q275-I277 PolarHBondContact O-N 3.11Å; Q275-V278 PolarHBondContact O-N 3.26Å; Q275-A279 WeakPolarHBondContact O-CB 3.36Å; Q275-A279 PolarHBondContact O-N 3.11Å; Q275-L301 HydrophobicContact CB-CD2 4.5Å; Q275-L301 HydrophobicContact CG-CB 3.94Å; Q275-L301 HydrophobicContact CG-CD2 3.88Å; Q275-L301 HydrophobicContact CG-CG 4.29Å; Q275-L301 PolarHBondContact NE2-O 3.49Å; Q275-S305 PolarHBondContact NE2-OG 3.33Å; Q275-S305 PolarHBondContact OE1-OG 2.88Å |
| 276 | A | 96.2 | Very high | 94 | Very high | 4 Ų | 4 | 38.3 Ų | 38.3 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.3 | -40.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K213 E272 I273 T280 | K213-A276 HydrophobicContact CB-CB 3.83Å; E272-A276 WeakPolarHBondContact O-CB 3.22Å; E272-A276 PolarHBondContact O-N 3.42Å; I273-A276 PolarHBondContact O-N 3.41Å; I273-A276 VanDerWaalsContact O-N 3.14Å; A276-T280 VanDerWaalsContact O-CB 3.22Å; A276-T280 WeakPolarHBondContact O-CB 3.41Å; A276-T280 PolarHBondContact O-N 3.44Å; A276-T280 PolarHBondContact O-OG1 3.22Å |
| 277 | I | 95.8 | Very high | 93.7 | Very high | 98 Ų | 98 | 40.9 Ų | 40.9 | 50% | 0.503 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -62.5 | -55.7 | 175.7 | -66.9 | 167.2 | 0 | 0 | 0 | 109.8 | I273 P274 Q275 A279 T280 M281 | I273-I277 HydrophobicContact CG2-CD1 3.69Å; I273-I277 HydrophobicContact CG2-CG1 4.37Å; I273-I277 WeakPolarHBondContact O-CG1 3.44Å; I273-I277 PolarHBondContact O-N 3.49Å; P274-I277 PolarHBondContact O-N 2.69Å; Q275-I277 VanDerWaalsContact C-N 3.31Å; Q275-I277 PolarHBondContact O-N 3.11Å; I277-A279 PolarHBondContact O-N 2.96Å; I277-T280 PolarHBondContact O-N 3.47Å; I277-M281 HydrophobicContact CG2-CG 4.31Å; I277-M281 WeakPolarHBondContact O-CB 3.47Å; I277-M281 VanDerWaalsContact O-CG 3.26Å; I277-M281 WeakPolarHBondContact O-CG 3.49Å; I277-M281 PolarHBondContact O-N 3.24Å |
| 278 | V | 95.2 | Very high | 93.5 | Very high | 18 Ų | 18 | 41 Ų | 41 | 11% | 0.109 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | -176.3 | 177.2 | 0 | 0 | 0 | 0 | 110.9 | P274 Q275 T280 M281 S282 Y294 L297 L301 | P274-V278 WeakPolarHBondContact O-CG2 3.4Å; P274-V278 PolarHBondContact O-N 3.37Å; Q275-V278 PolarHBondContact O-N 3.26Å; V278-T280 PolarHBondContact O-N 3.05Å; V278-M281 PolarHBondContact O-N 3.49Å; V278-S282 WeakPolarHBondContact O-CB 3.47Å; V278-S282 PolarHBondContact O-N 3.31Å; V278-S282 PolarHBondContact O-OG 2.96Å; V278-S282 VanDerWaalsContact O-OG 3.06Å; V278-Y294 HydrophobicContact CG1-CD2 3.89Å; V278-L297 HydrophobicContact CG2-CD1 4.07Å; V278-L301 HydrophobicContact CB-CD1 4Å; V278-L301 HydrophobicContact CG1-CD1 4.08Å; V278-L301 HydrophobicContact CG2-CD1 4.22Å |
| 279 | A | 95.4 | Very high | 93.6 | Very high | 10 Ų | 10 | 42 Ų | 42 | 8% | 0.083 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.7 | -40.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.9 | K213 Q275 I277 S282 G283 | K213-A279 HydrophobicContact CD-CB 3.6Å; Q275-A279 WeakPolarHBondContact O-CB 3.36Å; Q275-A279 PolarHBondContact O-N 3.11Å; I277-A279 PolarHBondContact O-N 2.96Å; A279-S282 WeakPolarHBondContact O-CB 3.46Å; A279-S282 PolarHBondContact O-N 3.35Å; A279-G283 PolarHBondContact O-N 3.31Å |
| 280 | T | 96.3 | Very high | 93.4 | Very high | 8 Ų | 8 | 44.5 Ų | 44.5 | 5% | 0.049 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.3 | -45.3 | 176.2 | -55.8 | 0 | 0 | 0 | 0 | 110.7 | G209 F210 L214 A276 I277 V278 S282 G283 I284 | G209-T280 PolarHBondContact O-OG1 3.3Å; F210-T280 HydrophobicContact CD1-CG2 4.27Å; F210-T280 HydrophobicContact CD2-CG2 4.32Å; F210-T280 HydrophobicContact CE1-CG2 3.79Å; F210-T280 HydrophobicContact CE2-CG2 3.86Å; F210-T280 HydrophobicContact CZ-CG2 3.58Å; L214-T280 HydrophobicContact CD2-CG2 4.07Å; A276-T280 VanDerWaalsContact O-CB 3.22Å; A276-T280 WeakPolarHBondContact O-CB 3.41Å; A276-T280 PolarHBondContact O-N 3.44Å; A276-T280 PolarHBondContact O-OG1 3.22Å; I277-T280 PolarHBondContact O-N 3.47Å; V278-T280 PolarHBondContact O-N 3.05Å; T280-S282 VanDerWaalsContact C-N 3.31Å; T280-S282 PolarHBondContact O-N 3.5Å; T280-G283 WeakPolarHBondContact O-CA 2.95Å; T280-G283 PolarHBondContact O-N 3.43Å; T280-G283 VanDerWaalsContact O-N 3.07Å; T280-I284 HydrophobicContact CG2-CD1 4.2Å; T280-I284 WeakPolarHBondContact O-CG1 3.08Å; T280-I284 PolarHBondContact O-N 3.09Å; T280-I284 VanDerWaalsContact O-N 3.07Å |
| 281 | M | 95.3 | Very high | 93.1 | Very high | 67 Ų | 67 | 41.8 Ų | 41.8 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.8 | -36.9 | 177.3 | -69.7 | -59.3 | 107.4 | 0 | 0 | 111.8 | I277 V278 G283 I284 Y285 I289 | I277-M281 HydrophobicContact CG2-CG 4.31Å; I277-M281 WeakPolarHBondContact O-CB 3.47Å; I277-M281 VanDerWaalsContact O-CG 3.26Å; I277-M281 WeakPolarHBondContact O-CG 3.49Å; I277-M281 PolarHBondContact O-N 3.24Å; V278-M281 PolarHBondContact O-N 3.49Å; M281-G283 VanDerWaalsContact C-N 3.3Å; M281-G283 PolarHBondContact O-N 2.85Å; M281-I284 HydrophobicContact CE-CD1 3.68Å; M281-I284 PolarHBondContact O-N 3.3Å; M281-Y285 PolarHBondContact O-N 3.39Å; M281-I289 HydrophobicContact CB-CB 4.43Å; M281-I289 HydrophobicContact CB-CG1 4.15Å; M281-I289 HydrophobicContact CB-CG2 3.88Å |
| 282 | S | 93.9 | Very high | 92.9 | Very high | 3 Ų | 3 | 45.9 Ų | 45.9 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.9 | -36.1 | 170.9 | -73.1 | 0 | 0 | 0 | 0 | 112.8 | V278 A279 T280 P286 | V278-S282 WeakPolarHBondContact O-CB 3.47Å; V278-S282 PolarHBondContact O-N 3.31Å; V278-S282 PolarHBondContact O-OG 2.96Å; V278-S282 VanDerWaalsContact O-OG 3.06Å; A279-S282 WeakPolarHBondContact O-CB 3.46Å; A279-S282 PolarHBondContact O-N 3.35Å; T280-S282 VanDerWaalsContact C-N 3.31Å; T280-S282 PolarHBondContact O-N 3.5Å; S282-P286 WeakPolarHBondContact O-CA 3.46Å; S282-P286 WeakPolarHBondContact O-CG 3.23Å |
| 283 | G | 93 | Very high | 92.8 | Very high | 6 Ų | 6 | 46.5 Ų | 46.5 | 6% | 0.062 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.9 | -35.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114 | A279 T280 M281 | A279-G283 PolarHBondContact O-N 3.31Å; T280-G283 WeakPolarHBondContact O-CA 2.95Å; T280-G283 PolarHBondContact O-N 3.43Å; T280-G283 VanDerWaalsContact O-N 3.07Å; M281-G283 VanDerWaalsContact C-N 3.3Å; M281-G283 PolarHBondContact O-N 2.85Å |
| 284 | I | 93.3 | Very high | 92.7 | Very high | 71 Ų | 71 | 47.7 Ų | 47.7 | 36% | 0.364 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -82.4 | -42.1 | -179.5 | -59.7 | 171.7 | 0 | 0 | 0 | 111.3 | F210 T280 M281 P286 | F210-I284 HydrophobicContact CE2-CG1 4.12Å; F210-I284 HydrophobicContact CZ-CD1 3.99Å; F210-I284 HydrophobicContact CZ-CG1 3.92Å; T280-I284 HydrophobicContact CG2-CD1 4.2Å; T280-I284 WeakPolarHBondContact O-CG1 3.08Å; T280-I284 PolarHBondContact O-N 3.09Å; T280-I284 VanDerWaalsContact O-N 3.07Å; M281-I284 HydrophobicContact CE-CD1 3.68Å; M281-I284 PolarHBondContact O-N 3.3Å; I284-P286 WeakPolarHBondContact O-CD 3.03Å |
| 285 | Y | 92.2 | Very high | 92.4 | Very high | 132 Ų | 132 | 48.9 Ų | 48.9 | 52% | 0.518 | 26% | 0.259 | S | S | . | . | trans | -126.8 | 71.4 | -175.7 | -56.2 | -68.9 | 0 | 0 | 0 | 112.1 | M281 S287 D288 I289 | M281-Y285 PolarHBondContact O-N 3.39Å; Y285-S287 PolarHBondContact O-N 2.75Å; Y285-D288 PolarHBondContact O-N 3.18Å; Y285-I289 PolarHBondContact O-N 2.86Å | ||
| 286 | P | 89.8 | Confident | 92.2 | Very high | 32 Ų | 32 | 50.4 Ų | 50.4 | 21% | 0.208 | 27% | 0.265 | C | S | . | . | I | π-helix | trans | -59 | -39.4 | -176.3 | -25.8 | 34.4 | 0 | 0 | 0 | 114.5 | L205 S282 I284 D288 Y290 A291 | L205-P286 HydrophobicContact CD1-CB 3.71Å; L205-P286 HydrophobicContact CD1-CG 3.91Å; S282-P286 WeakPolarHBondContact O-CA 3.46Å; S282-P286 WeakPolarHBondContact O-CG 3.23Å; I284-P286 WeakPolarHBondContact O-CD 3.03Å; P286-D288 VanDerWaalsContact C-N 3.34Å; P286-D288 PolarHBondContact O-N 2.94Å; P286-Y290 VanDerWaalsContact O-CB 3.31Å; P286-Y290 WeakPolarHBondContact O-CB 3.38Å; P286-Y290 PolarHBondContact O-N 2.97Å; P286-A291 PolarHBondContact O-N 3.36Å; P286-A291 VanDerWaalsContact O-N 3.15Å |
| 287 | S | 87.2 | Confident | 92.1 | Very high | 86 Ų | 86 | 51.8 Ų | 51.8 | 60% | 0.601 | 27% | 0.272 | S | S | * | . | I | π-helix | trans | -71 | -27.5 | -174.4 | 53.1 | 0 | 0 | 0 | 0 | 114.1 | Y285 A291 | Y285-S287 PolarHBondContact O-N 2.75Å; S287-A291 WeakPolarHBondContact O-CB 3.4Å |
| 288 | D | 89.1 | Confident | 91.9 | Very high | 56 Ų | 56 | 47.5 Ų | 47.5 | 30% | 0.299 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -101 | -52.9 | -177.3 | -69.5 | -35.1 | 0 | 0 | 0 | 110.5 | Y285 P286 K292 | Y285-D288 PolarHBondContact O-N 3.18Å; P286-D288 VanDerWaalsContact C-N 3.34Å; P286-D288 PolarHBondContact O-N 2.94Å; D288-K292 VanDerWaalsContact O-CB 3.23Å; D288-K292 WeakPolarHBondContact O-CB 3.31Å; D288-K292 PolarHBondContact O-N 3.43Å; D288-K292 IonicContact OD1-NZ 3.66Å |
| 289 | I | 91.6 | Very high | 91.7 | Very high | 24 Ų | 24 | 47.8 Ų | 47.8 | 12% | 0.123 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -83.3 | -52.4 | -171 | -52 | -63.8 | 0 | 0 | 0 | 110.8 | L3 M281 Y285 I293 Y294 | L3-I289 HydrophobicContact CD1-CD1 4.23Å; M281-I289 HydrophobicContact CB-CB 4.43Å; M281-I289 HydrophobicContact CB-CG1 4.15Å; M281-I289 HydrophobicContact CB-CG2 3.88Å; Y285-I289 PolarHBondContact O-N 2.86Å; I289-I293 HydrophobicContact CD1-CD1 3.41Å; I289-I293 VanDerWaalsContact CD1-CD1 3.41Å; I289-I293 HydrophobicContact CD1-CG1 4.49Å; I289-I293 HydrophobicContact CG2-CB 4.36Å; I289-I293 HydrophobicContact CG2-CD1 4.39Å; I289-I293 WeakPolarHBondContact O-CA 3.49Å; I289-I293 WeakPolarHBondContact O-CB 3.49Å; I289-I293 PolarHBondContact O-N 3Å; I289-Y294 PolarHBondContact O-N 3.05Å |
| 290 | Y | 90.3 | Very high | 91.6 | Very high | 65 Ų | 65 | 49.8 Ų | 49.8 | 26% | 0.255 | 26% | 0.262 | S | S | . | . | I | π-helix | trans | -67.3 | -39.1 | -178.3 | 175 | -101.8 | 0 | 0 | 0 | 112 | F165 L205 P286 Y294 P295 | F165-Y290 WeakPolarHBondContact CZ-OH 3.34Å; L205-Y290 HydrophobicContact CD1-CD1 4.2Å; L205-Y290 HydrophobicContact CD1-CD2 4.5Å; L205-Y290 HydrophobicContact CD1-CG 4.07Å; L205-Y290 HydrophobicContact CD2-CD1 4.44Å; L205-Y290 HydrophobicContact CD2-CD2 3.5Å; L205-Y290 VanDerWaalsContact CD2-CD2 3.5Å; L205-Y290 HydrophobicContact CD2-CE2 3.67Å; L205-Y290 HydrophobicContact CD2-CG 3.92Å; P286-Y290 VanDerWaalsContact O-CB 3.31Å; P286-Y290 WeakPolarHBondContact O-CB 3.38Å; P286-Y290 PolarHBondContact O-N 2.97Å; Y290-Y294 HydrophobicContact CD2-CD1 4.42Å; Y290-Y294 HydrophobicContact CD2-CG 4.34Å; Y290-Y294 HydrophobicContact CE2-CD1 4.35Å; Y290-P295 WeakPolarHBondContact O-CD 2.97Å |
| 291 | A | 88.4 | Confident | 91.5 | Very high | 61 Ų | 61 | 49.9 Ų | 49.9 | 50% | 0.504 | 26% | 0.262 | S | S | . | . | I | π-helix | trans | -78.8 | -34.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | P286 S287 | P286-A291 PolarHBondContact O-N 3.36Å; P286-A291 VanDerWaalsContact O-N 3.15Å; S287-A291 WeakPolarHBondContact O-CB 3.4Å |
| 292 | K | 89.9 | Confident | 91.4 | Very high | 99 Ų | 99 | 48.7 Ų | 48.7 | 43% | 0.43 | 26% | 0.257 | S | S | . | . | I | π-helix | trans | -109.5 | -35.3 | -171.8 | -52.4 | 176.9 | 179.1 | 171.6 | 0 | 114.1 | L8 D288 K296 | L8-K292 HydrophobicContact CD1-CD 4.5Å; L8-K292 HydrophobicContact CD2-CB 4.23Å; D288-K292 VanDerWaalsContact O-CB 3.23Å; D288-K292 WeakPolarHBondContact O-CB 3.31Å; D288-K292 PolarHBondContact O-N 3.43Å; D288-K292 IonicContact OD1-NZ 3.66Å; K292-K296 WeakPolarHBondContact O-CD 3.41Å; K292-K296 WeakPolarHBondContact O-CE 3.35Å |
| 293 | I | 92.3 | Very high | 91.4 | Very high | 13 Ų | 13 | 49.3 Ų | 49.3 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -97.5 | -46.8 | -172.9 | -58.7 | 179.9 | 0 | 0 | 0 | 111.4 | L3 F7 L11 I289 P295 K296 L297 | L3-I293 HydrophobicContact CD1-CD1 3.58Å; L3-I293 HydrophobicContact CD2-CD1 3.44Å; L3-I293 VanDerWaalsContact CD2-CD1 3.44Å; L3-I293 HydrophobicContact CD2-CG1 3.61Å; L3-I293 HydrophobicContact CG-CD1 4.11Å; F7-I293 HydrophobicContact CE1-CD1 4.39Å; L11-I293 HydrophobicContact CD2-CB 4.46Å; L11-I293 HydrophobicContact CD2-CG2 4.01Å; I289-I293 HydrophobicContact CD1-CD1 3.41Å; I289-I293 VanDerWaalsContact CD1-CD1 3.41Å; I289-I293 HydrophobicContact CD1-CG1 4.49Å; I289-I293 HydrophobicContact CG2-CB 4.36Å; I289-I293 HydrophobicContact CG2-CD1 4.39Å; I289-I293 WeakPolarHBondContact O-CA 3.49Å; I289-I293 WeakPolarHBondContact O-CB 3.49Å; I289-I293 PolarHBondContact O-N 3Å; I293-P295 VanDerWaalsContact C-CD 3.49Å; I293-K296 PolarHBondContact O-N 3.36Å; I293-K296 VanDerWaalsContact O-N 3.09Å; I293-L297 HydrophobicContact CG2-CD1 3.51Å; I293-L297 HydrophobicContact CG2-CG 4.09Å; I293-L297 PolarHBondContact O-N 3.3Å |
| 294 | Y | 91.4 | Very high | 91.5 | Very high | 93 Ų | 93 | 51.1 Ų | 51.1 | 37% | 0.365 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -55 | -44.4 | -175.8 | -176.2 | -87.8 | 0 | 0 | 0 | 113.1 | V278 I289 Y290 K296 L297 G298 | V278-Y294 HydrophobicContact CG1-CD2 3.89Å; I289-Y294 PolarHBondContact O-N 3.05Å; Y290-Y294 HydrophobicContact CD2-CD1 4.42Å; Y290-Y294 HydrophobicContact CD2-CG 4.34Å; Y290-Y294 HydrophobicContact CE2-CD1 4.35Å; Y294-K296 VanDerWaalsContact C-N 3.26Å; Y294-K296 PolarHBondContact O-N 3.48Å; Y294-L297 PolarHBondContact O-N 2.98Å; Y294-G298 WeakPolarHBondContact O-CA 3.45Å; Y294-G298 PolarHBondContact O-N 3.23Å |
| 295 | P | 89.8 | Confident | 91.5 | Very high | 72 Ų | 72 | 47.8 Ų | 47.8 | 47% | 0.468 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.1 | -31.4 | 179.8 | -22.5 | 35.7 | 0 | 0 | 0 | 113.1 | Y290 I293 | Y290-P295 WeakPolarHBondContact O-CD 2.97Å; I293-P295 VanDerWaalsContact C-CD 3.49Å |
| 296 | K | 90.8 | Very high | 91.5 | Very high | 40 Ų | 40 | 41.6 Ų | 41.6 | 17% | 0.174 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -81 | -30.6 | -178.9 | -55.5 | 176.8 | -158 | -102.9 | 0 | 112.3 | L11 D12 H15 K292 I293 Y294 | L11-K296 HydrophobicContact CB-CD 4.37Å; L11-K296 HydrophobicContact CD1-CB 4.29Å; L11-K296 HydrophobicContact CD2-CB 3.89Å; L11-K296 HydrophobicContact CD2-CD 3.86Å; L11-K296 HydrophobicContact CD2-CG 4.47Å; L11-K296 HydrophobicContact CG-CB 3.71Å; L11-K296 HydrophobicContact CG-CD 3.83Å; L11-K296 HydrophobicContact CG-CG 4.42Å; D12-K296 WeakPolarHBondContact OD1-CD 3.13Å; D12-K296 IonicContact OD1-NZ 3.7Å; D12-K296 PolarHBondContact OD1-NZ 3.02Å; D12-K296 IonicContact OD2-NZ 3.58Å; D12-K296 PolarHBondContact OD2-NZ 3.1Å; H15-K296 HydrophobicContact CB-CB 4.21Å; H15-K296 PolarHBondContact ND1-O 3.35Å; K292-K296 WeakPolarHBondContact O-CD 3.41Å; K292-K296 WeakPolarHBondContact O-CE 3.35Å; I293-K296 PolarHBondContact O-N 3.36Å; I293-K296 VanDerWaalsContact O-N 3.09Å; Y294-K296 VanDerWaalsContact C-N 3.26Å; Y294-K296 PolarHBondContact O-N 3.48Å |
| 297 | L | 92.9 | Very high | 91.7 | Very high | 33 Ų | 33 | 43.5 Ų | 43.5 | 17% | 0.173 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -93.5 | -18 | 179 | -74.5 | -178.7 | 0 | 0 | 0 | 114.2 | L11 V278 I293 Y294 D299 L300 L301 | L11-L297 HydrophobicContact CD1-CD2 3.52Å; L11-L297 HydrophobicContact CD1-CG 3.86Å; L11-L297 HydrophobicContact CD2-CG 4.42Å; V278-L297 HydrophobicContact CG2-CD1 4.07Å; I293-L297 HydrophobicContact CG2-CD1 3.51Å; I293-L297 HydrophobicContact CG2-CG 4.09Å; I293-L297 PolarHBondContact O-N 3.3Å; Y294-L297 PolarHBondContact O-N 2.98Å; L297-D299 VanDerWaalsContact C-N 3.32Å; L297-D299 PolarHBondContact O-N 2.81Å; L297-L300 HydrophobicContact CD2-CD2 4.33Å; L297-L300 WeakPolarHBondContact O-CB 3.43Å; L297-L300 PolarHBondContact O-N 3.44Å; L297-L301 HydrophobicContact CB-CG 4.47Å; L297-L301 WeakPolarHBondContact O-CG 3.35Å; L297-L301 PolarHBondContact O-N 3.07Å |
| 298 | G | 92.1 | Very high | 91.9 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 8% | 0.082 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -49.8 | -49.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y294 L300 L301 D302 | Y294-G298 WeakPolarHBondContact O-CA 3.45Å; Y294-G298 PolarHBondContact O-N 3.23Å; G298-L300 VanDerWaalsContact C-N 3.3Å; G298-L300 PolarHBondContact O-N 3.23Å; G298-L301 WeakPolarHBondContact O-CA 3.31Å; G298-L301 WeakPolarHBondContact O-CB 3.35Å; G298-L301 PolarHBondContact O-N 3.07Å; G298-D302 PolarHBondContact O-N 3.37Å |
| 299 | D | 91.3 | Very high | 92 | Very high | 25 Ų | 25 | 37 Ų | 37 | 13% | 0.134 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67.3 | -29.5 | -177.1 | -56.1 | -39.9 | 0 | 0 | 0 | 113.4 | H15 Y18 Q19 H22 L297 L303 | H15-D299 IonicContact CE1-OD2 3.86Å; Y18-D299 HydrophobicContact CD1-CB 4.18Å; Y18-D299 HydrophobicContact CE1-CB 3.63Å; Y18-D299 PolarHBondContact OH-O 3.28Å; Y18-D299 VanDerWaalsContact OH-O 3.05Å; Q19-D299 PolarHBondContact NE2-OD2 3.42Å; H22-D299 PolarHBondContact CE1-O 3.35Å; H22-D299 PolarHBondContact ND1-O 3.15Å; H22-D299 IonicContact NE2-OD1 3.5Å; L297-D299 VanDerWaalsContact C-N 3.32Å; L297-D299 PolarHBondContact O-N 2.81Å; D299-L303 WeakPolarHBondContact O-CB 3.43Å; D299-L303 PolarHBondContact O-N 3.31Å; D299-L303 VanDerWaalsContact O-N 3.11Å |
| 300 | L | 93.6 | Very high | 92 | Very high | 51 Ų | 51 | 36.1 Ų | 36.1 | 27% | 0.267 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -72.5 | -42 | 172.7 | 175.8 | 63.4 | 0 | 0 | 0 | 110.4 | F14 Y18 L297 G298 D302 L303 L304 | F14-L300 HydrophobicContact CE1-CB 4.27Å; F14-L300 HydrophobicContact CE1-CD2 4.04Å; F14-L300 HydrophobicContact CZ-CB 4.42Å; F14-L300 HydrophobicContact CZ-CD1 4.33Å; F14-L300 HydrophobicContact CZ-CD2 3.93Å; F14-L300 HydrophobicContact CZ-CG 4.45Å; Y18-L300 HydrophobicContact CE1-CB 4.39Å; L297-L300 HydrophobicContact CD2-CD2 4.33Å; L297-L300 WeakPolarHBondContact O-CB 3.43Å; L297-L300 PolarHBondContact O-N 3.44Å; G298-L300 VanDerWaalsContact C-N 3.3Å; G298-L300 PolarHBondContact O-N 3.23Å; L300-D302 VanDerWaalsContact C-N 3.32Å; L300-L303 PolarHBondContact O-N 3.44Å; L300-L304 WeakPolarHBondContact O-CG 3.48Å; L300-L304 PolarHBondContact O-N 3.48Å |
| 301 | L | 94.2 | Very high | 92.1 | Very high | 11 Ų | 11 | 33.6 Ų | 33.6 | 6% | 0.058 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -61.8 | -43.7 | 177.1 | -65.5 | -176.6 | 0 | 0 | 0 | 110.6 | P274 Q275 V278 L297 G298 L303 L304 S305 | P274-L301 HydrophobicContact CB-CD2 3.96Å; Q275-L301 HydrophobicContact CB-CD2 4.5Å; Q275-L301 HydrophobicContact CG-CB 3.94Å; Q275-L301 HydrophobicContact CG-CD2 3.88Å; Q275-L301 HydrophobicContact CG-CG 4.29Å; Q275-L301 PolarHBondContact NE2-O 3.49Å; V278-L301 HydrophobicContact CB-CD1 4Å; V278-L301 HydrophobicContact CG1-CD1 4.08Å; V278-L301 HydrophobicContact CG2-CD1 4.22Å; L297-L301 HydrophobicContact CB-CG 4.47Å; L297-L301 WeakPolarHBondContact O-CG 3.35Å; L297-L301 PolarHBondContact O-N 3.07Å; G298-L301 WeakPolarHBondContact O-CA 3.31Å; G298-L301 WeakPolarHBondContact O-CB 3.35Å; G298-L301 PolarHBondContact O-N 3.07Å; L301-L303 PolarHBondContact O-N 2.95Å; L301-L304 WeakPolarHBondContact O-CB 3.48Å; L301-L304 PolarHBondContact O-N 3.41Å; L301-S305 PolarHBondContact O-N 2.88Å |
| 302 | D | 92.3 | Very high | 92 | Very high | 41 Ų | 41 | 31 Ų | 31 | 22% | 0.219 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 175.4 | -73.1 | -9.4 | 0 | 0 | 0 | 111.7 | Y71 G298 L300 L304 S305 L306 | Y71-D302 HydrophobicContact CE2-CB 3.98Å; Y71-D302 VanDerWaalsContact CE2-OD2 3.32Å; Y71-D302 WeakPolarHBondContact CE2-OD2 3.28Å; Y71-D302 WeakPolarHBondContact OH-CB 3.4Å; Y71-D302 PolarHBondContact OH-OD2 3Å; Y71-D302 VanDerWaalsContact OH-OD2 3.09Å; G298-D302 PolarHBondContact O-N 3.37Å; L300-D302 VanDerWaalsContact C-N 3.32Å; D302-L304 VanDerWaalsContact C-N 3.33Å; D302-L304 PolarHBondContact O-N 3.24Å; D302-S305 CarbonylContact O-C 3.59Å; D302-S305 WeakPolarHBondContact O-CA 3.3Å; D302-S305 WeakPolarHBondContact O-CB 3.49Å; D302-S305 PolarHBondContact O-N 3.28Å; D302-S305 VanDerWaalsContact O-N 3.08Å; D302-L306 WeakPolarHBondContact O-CG 3.44Å; D302-L306 PolarHBondContact O-N 3.17Å |
| 303 | L | 93.6 | Very high | 91.9 | Very high | 16 Ų | 16 | 27.6 Ų | 27.6 | 8% | 0.084 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -58.5 | -44.1 | 174.1 | 175.7 | 68.7 | 0 | 0 | 0 | 112.3 | Y18 L25 L29 D299 L300 L301 S305 L306 I307 | Y18-L303 HydrophobicContact CE2-CD2 4.09Å; Y18-L303 WeakPolarHBondContact OH-CB 3.23Å; Y18-L303 WeakPolarHBondContact OH-CD2 3.31Å; L25-L303 HydrophobicContact CD2-CD1 3.52Å; L25-L303 HydrophobicContact CD2-CD2 3.68Å; L25-L303 HydrophobicContact CD2-CG 4.26Å; L25-L303 HydrophobicContact CG-CD1 3.88Å; L29-L303 HydrophobicContact CD1-CD1 3.35Å; D299-L303 WeakPolarHBondContact O-CB 3.43Å; D299-L303 PolarHBondContact O-N 3.31Å; D299-L303 VanDerWaalsContact O-N 3.11Å; L300-L303 PolarHBondContact O-N 3.44Å; L301-L303 PolarHBondContact O-N 2.95Å; L303-S305 PolarHBondContact O-N 2.9Å; L303-L306 PolarHBondContact O-N 3.47Å; L303-L306 VanDerWaalsContact O-N 3.15Å; L303-I307 HydrophobicContact CD1-CD1 4.27Å; L303-I307 HydrophobicContact CD1-CG1 4.4Å; L303-I307 HydrophobicContact CD2-CD1 4.47Å; L303-I307 HydrophobicContact CG-CD1 3.97Å; L303-I307 WeakPolarHBondContact O-CG1 3.38Å; L303-I307 PolarHBondContact O-N 3.43Å |
| 304 | L | 94.9 | Very high | 91.8 | Very high | 44 Ų | 44 | 30.6 Ų | 30.6 | 23% | 0.23 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.1 | -38.3 | 176.1 | -68.7 | 175.1 | 0 | 0 | 0 | 111.5 | P274 L300 L301 D302 I307 N308 | P274-L304 HydrophobicContact CB-CD1 4.18Å; P274-L304 HydrophobicContact CG-CD1 4.11Å; L300-L304 WeakPolarHBondContact O-CG 3.48Å; L300-L304 PolarHBondContact O-N 3.48Å; L301-L304 WeakPolarHBondContact O-CB 3.48Å; L301-L304 PolarHBondContact O-N 3.41Å; D302-L304 VanDerWaalsContact C-N 3.33Å; D302-L304 PolarHBondContact O-N 3.24Å; L304-I307 PolarHBondContact O-N 3.16Å; L304-N308 PolarHBondContact O-N 3.09Å; L304-N308 VanDerWaalsContact O-N 3.1Å |
| 305 | S | 93 | Very high | 91.6 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -59.7 | -49 | 171.7 | -93.8 | 0 | 0 | 0 | 0 | 112.2 | H110 Q275 L301 D302 L303 I307 N308 S309 | H110-S305 WeakPolarHBondContact CE1-CB 3.4Å; H110-S305 PolarHBondContact CE1-OG 2.71Å; H110-S305 WeakPolarHBondContact NE2-CB 3.49Å; H110-S305 PolarHBondContact NE2-OG 3.05Å; H110-S305 VanDerWaalsContact NE2-OG 3.16Å; Q275-S305 PolarHBondContact NE2-OG 3.33Å; Q275-S305 PolarHBondContact OE1-OG 2.88Å; L301-S305 PolarHBondContact O-N 2.88Å; D302-S305 CarbonylContact O-C 3.59Å; D302-S305 WeakPolarHBondContact O-CA 3.3Å; D302-S305 WeakPolarHBondContact O-CB 3.49Å; D302-S305 PolarHBondContact O-N 3.28Å; D302-S305 VanDerWaalsContact O-N 3.08Å; L303-S305 PolarHBondContact O-N 2.9Å; S305-I307 VanDerWaalsContact C-N 3.34Å; S305-I307 PolarHBondContact O-N 3.31Å; S305-N308 WeakPolarHBondContact O-CB 3.4Å; S305-N308 PolarHBondContact O-N 3.4Å; S305-S309 PolarHBondContact O-N 3.23Å; S305-S309 VanDerWaalsContact O-N 3.07Å; S305-S309 PolarHBondContact O-OG 3.41Å |
| 306 | L | 93.7 | Very high | 91.6 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.01 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 179.4 | -60.4 | -179.7 | 0 | 0 | 0 | 111.8 | C26 L29 M68 Y71 D302 L303 N308 S309 N310 | C26-L306 HydrophobicContact CB-CD1 3.63Å; C26-L306 WeakPolarHBondContact SG-CD1 3.31Å; L29-L306 HydrophobicContact CB-CB 4.31Å; L29-L306 HydrophobicContact CB-CD1 4.42Å; L29-L306 HydrophobicContact CD1-CB 4.2Å; M68-L306 HydrophobicContact CE-CD2 3.29Å; M68-L306 HydrophobicContact CE-CG 4.46Å; M68-L306 HydrophobicContact SD-CB 4.38Å; M68-L306 HydrophobicContact SD-CD2 3.44Å; M68-L306 WeakPolarHBondContact SD-CD2 3.33Å; M68-L306 HydrophobicContact SD-CG 4.47Å; Y71-L306 HydrophobicContact CD1-CD1 3.93Å; Y71-L306 HydrophobicContact CD1-CD2 3.92Å; Y71-L306 HydrophobicContact CD1-CG 4.44Å; Y71-L306 HydrophobicContact CE1-CD1 3.79Å; Y71-L306 HydrophobicContact CE1-CD2 4.42Å; Y71-L306 HydrophobicContact CE1-CG 4.48Å; Y71-L306 HydrophobicContact CG-CD2 4.21Å; D302-L306 WeakPolarHBondContact O-CG 3.44Å; D302-L306 PolarHBondContact O-N 3.17Å; L303-L306 PolarHBondContact O-N 3.47Å; L303-L306 VanDerWaalsContact O-N 3.15Å; L306-N308 VanDerWaalsContact C-N 3.31Å; L306-N308 PolarHBondContact O-N 2.82Å; L306-S309 PolarHBondContact O-N 2.96Å; L306-N310 PolarHBondContact O-N 3.21Å; L306-N310 VanDerWaalsContact O-N 3.16Å; L306-N310 PolarHBondContact O-ND2 3.21Å |
| 307 | I | 93 | Very high | 91.4 | Very high | 73 Ų | 73 | 23.4 Ų | 23.4 | 37% | 0.374 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -60.7 | -43.6 | 176.8 | -69.9 | 168.3 | 0 | 0 | 0 | 110.5 | L29 L303 L304 S305 N310 A311 | L29-I307 HydrophobicContact CD1-CG1 4.14Å; L303-I307 HydrophobicContact CD1-CD1 4.27Å; L303-I307 HydrophobicContact CD1-CG1 4.4Å; L303-I307 HydrophobicContact CD2-CD1 4.47Å; L303-I307 HydrophobicContact CG-CD1 3.97Å; L303-I307 WeakPolarHBondContact O-CG1 3.38Å; L303-I307 PolarHBondContact O-N 3.43Å; L304-I307 PolarHBondContact O-N 3.16Å; S305-I307 VanDerWaalsContact C-N 3.34Å; S305-I307 PolarHBondContact O-N 3.31Å; I307-N310 PolarHBondContact O-N 3.02Å; I307-A311 PolarHBondContact O-N 3.45Å |
| 308 | N | 91.7 | Very high | 91.1 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.016 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.9 | -49.3 | 177.1 | -178.8 | 34.3 | 0 | 0 | 0 | 112.1 | F268 T271 L304 S305 L306 N310 A311 | F268-N308 WeakPolarHBondContact CA-OD1 3.42Å; F268-N308 WeakPolarHBondContact CD2-ND2 3.21Å; F268-N308 VanDerWaalsContact CD2-OD1 3.31Å; F268-N308 WeakPolarHBondContact CD2-OD1 3.42Å; F268-N308 WeakPolarHBondContact CE2-ND2 3.38Å; F268-N308 VanDerWaalsContact CG-ND2 3.35Å; F268-N308 WeakPolarHBondContact CG-ND2 3.14Å; F268-N308 WeakPolarHBondContact CZ-ND2 3.35Å; T271-N308 HydrophobicContact CG2-CB 4.19Å; T271-N308 WeakPolarHBondContact OG1-CB 3.47Å; L304-N308 PolarHBondContact O-N 3.09Å; L304-N308 VanDerWaalsContact O-N 3.1Å; S305-N308 WeakPolarHBondContact O-CB 3.4Å; S305-N308 PolarHBondContact O-N 3.4Å; L306-N308 VanDerWaalsContact C-N 3.31Å; L306-N308 PolarHBondContact O-N 2.82Å; N308-N310 PolarHBondContact O-N 3.13Å; N308-N310 VanDerWaalsContact O-N 3.12Å; N308-A311 WeakPolarHBondContact O-CB 3.41Å; N308-A311 PolarHBondContact O-N 3.28Å |
| 309 | S | 91.4 | Very high | 90.7 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.007 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.1 | -22.2 | 178.1 | -64.9 | 0 | 0 | 0 | 0 | 113.4 | N37 D64 M68 S305 L306 | N37-S309 PolarHBondContact ND2-O 2.95Å; D64-S309 PolarHBondContact OD1-OG 2.82Å; M68-S309 VanDerWaalsContact CE-CB 3.44Å; M68-S309 WeakPolarHBondContact CE-OG 3.25Å; S305-S309 PolarHBondContact O-N 3.23Å; S305-S309 VanDerWaalsContact O-N 3.07Å; S305-S309 PolarHBondContact O-OG 3.41Å; L306-S309 PolarHBondContact O-N 2.96Å |
| 310 | N | 92.4 | Very high | 90.5 | Very high | 6 Ų | 6 | 30 Ų | 30 | 3% | 0.032 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -87.9 | -27.4 | 175.3 | -82.8 | -78.3 | 0 | 0 | 0 | 113.8 | L29 F32 G33 L306 I307 N308 N312 | L29-N310 PolarHBondContact O-ND2 3.21Å; L29-N310 VanDerWaalsContact O-ND2 3.11Å; L29-N310 PolarHBondContact O-OD1 3.4Å; F32-N310 WeakPolarHBondContact CD1-OD1 3.49Å; G33-N310 WeakPolarHBondContact CA-OD1 3.37Å; G33-N310 PolarHBondContact N-OD1 3.36Å; G33-N310 VanDerWaalsContact N-OD1 3.16Å; L306-N310 PolarHBondContact O-N 3.21Å; L306-N310 VanDerWaalsContact O-N 3.16Å; L306-N310 PolarHBondContact O-ND2 3.21Å; I307-N310 PolarHBondContact O-N 3.02Å; N308-N310 PolarHBondContact O-N 3.13Å; N308-N310 VanDerWaalsContact O-N 3.12Å; N310-N312 VanDerWaalsContact C-N 3.28Å; N310-N312 PolarHBondContact O-N 3.47Å |
| 311 | A | 90.6 | Very high | 90.1 | Very high | 13 Ų | 13 | 31.1 Ų | 31.1 | 11% | 0.107 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -63.9 | -32 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | I267 I307 N308 F313 I314 L315 | I267-A311 HydrophobicContact CD1-CB 4.31Å; I267-A311 HydrophobicContact CG2-CB 3.93Å; I307-A311 PolarHBondContact O-N 3.45Å; N308-A311 WeakPolarHBondContact O-CB 3.41Å; N308-A311 PolarHBondContact O-N 3.28Å; A311-F313 PolarHBondContact O-N 3.11Å; A311-I314 PolarHBondContact O-N 3.07Å; A311-L315 WeakPolarHBondContact O-CB 3.49Å; A311-L315 WeakPolarHBondContact O-CG 3.33Å; A311-L315 PolarHBondContact O-N 3.27Å |
| 312 | N | 87.4 | Confident | 89.6 | Confident | 6 Ų | 6 | 35.2 Ų | 35.2 | 3% | 0.032 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.2 | -51 | -176.7 | -77.8 | -28.9 | 0 | 0 | 0 | 112.8 | D64 I264 N310 L315 L316 | D64-N312 PolarHBondContact OD2-ND2 3.43Å; I264-N312 WeakPolarHBondContact CG2-OD1 3.28Å; N310-N312 VanDerWaalsContact C-N 3.28Å; N310-N312 PolarHBondContact O-N 3.47Å; N312-L315 PolarHBondContact O-N 3.42Å; N312-L316 WeakPolarHBondContact O-CB 3.5Å; N312-L316 VanDerWaalsContact O-CG 3.28Å; N312-L316 WeakPolarHBondContact O-CG 3.4Å; N312-L316 PolarHBondContact O-N 2.97Å |
| 313 | F | 87.9 | Confident | 89.4 | Confident | 28 Ų | 28 | 33.2 Ų | 33.2 | 12% | 0.123 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.9 | -46.8 | 179.3 | 177.8 | -96.2 | 0 | 0 | 0 | 112.1 | T36 L39 N40 A311 L315 L316 C317 F323 | T36-F313 HydrophobicContact CG2-CB 4.34Å; T36-F313 HydrophobicContact CG2-CD1 3.53Å; T36-F313 HydrophobicContact CG2-CD2 4.4Å; T36-F313 HydrophobicContact CG2-CE1 3.84Å; T36-F313 HydrophobicContact CG2-CG 3.85Å; T36-F313 HydrophobicContact CG2-CZ 4.41Å; T36-F313 VanDerWaalsContact O-CD2 3.28Å; T36-F313 WeakPolarHBondContact O-CD2 3.36Å; L39-F313 HydrophobicContact CB-CD2 4.45Å; L39-F313 HydrophobicContact CB-CE2 3.9Å; L39-F313 HydrophobicContact CD1-CE2 4.22Å; L39-F313 HydrophobicContact CD1-CZ 4.32Å; N40-F313 WeakPolarHBondContact ND2-CA 3.34Å; N40-F313 WeakPolarHBondContact ND2-CB 3.29Å; N40-F313 PolarHBondContact ND2-N 2.96Å; N40-F313 VanDerWaalsContact OD1-CD2 3.25Å; N40-F313 WeakPolarHBondContact OD1-CD2 3.18Å; A311-F313 PolarHBondContact O-N 3.11Å; F313-L315 VanDerWaalsContact C-N 3.31Å; F313-L315 PolarHBondContact O-N 3.4Å; F313-L316 PolarHBondContact O-N 3.29Å; F313-C317 WeakPolarHBondContact CZ-SG 3.44Å; F313-C317 WeakPolarHBondContact O-CB 3.49Å; F313-C317 PolarHBondContact O-N 3.33Å; F313-C317 PolarHBondContact O-SG 3.49Å; F313-F323 HydrophobicContact CD2-CZ 4.36Å; F313-F323 HydrophobicContact CE2-CE1 4.39Å; F313-F323 HydrophobicContact CE2-CZ 4.29Å |
| 314 | I | 89.4 | Confident | 89.3 | Confident | 75 Ų | 75 | 38.1 Ų | 38.1 | 39% | 0.385 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -58.6 | -47.8 | -178.6 | -62.1 | 174.1 | 0 | 0 | 0 | 109.5 | F32 A311 C317 L318 | F32-I314 HydrophobicContact CE1-CD1 4.4Å; A311-I314 PolarHBondContact O-N 3.07Å; I314-C317 PolarHBondContact O-N 3.05Å; I314-L318 HydrophobicContact CG2-CD1 3.74Å; I314-L318 HydrophobicContact CG2-CG 4.36Å; I314-L318 WeakPolarHBondContact O-CB 3.35Å; I314-L318 VanDerWaalsContact O-CG 3.24Å; I314-L318 WeakPolarHBondContact O-CG 3.44Å; I314-L318 PolarHBondContact O-N 3.32Å |
| 315 | L | 88.7 | Confident | 89 | Confident | 19 Ų | 19 | 38.4 Ų | 38.4 | 10% | 0.099 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -67.5 | -38.4 | 179.6 | -70.9 | -179.8 | 0 | 0 | 0 | 113 | L260 T263 I264 I267 A311 N312 F313 L318 M319 | L260-L315 HydrophobicContact CD1-CB 4.14Å; T263-L315 HydrophobicContact CG2-CD1 4.05Å; T263-L315 HydrophobicContact CG2-CD2 3.97Å; I264-L315 HydrophobicContact CB-CD1 4.16Å; I264-L315 HydrophobicContact CD1-CB 4.3Å; I264-L315 HydrophobicContact CG1-CB 3.77Å; I264-L315 HydrophobicContact CG1-CD1 3.47Å; I264-L315 VanDerWaalsContact CG1-CD1 3.47Å; I264-L315 HydrophobicContact CG1-CG 4.3Å; I267-L315 HydrophobicContact CD1-CD1 3.68Å; I267-L315 HydrophobicContact CD1-CG 4.43Å; I267-L315 HydrophobicContact CG1-CD1 4.49Å; A311-L315 WeakPolarHBondContact O-CB 3.49Å; A311-L315 WeakPolarHBondContact O-CG 3.33Å; A311-L315 PolarHBondContact O-N 3.27Å; N312-L315 PolarHBondContact O-N 3.42Å; F313-L315 VanDerWaalsContact C-N 3.31Å; F313-L315 PolarHBondContact O-N 3.4Å; L315-L318 PolarHBondContact O-N 3.04Å; L315-M319 HydrophobicContact CD2-SD 4.07Å; L315-M319 VanDerWaalsContact O-CB 3.31Å; L315-M319 WeakPolarHBondContact O-CB 3.43Å; L315-M319 PolarHBondContact O-N 3.43Å |
| 316 | L | 89 | Confident | 88.8 | Confident | 4 Ų | 4 | 38.6 Ų | 38.6 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.3 | -45.5 | 174.3 | -76.7 | 174.2 | 0 | 0 | 0 | 111.4 | N40 L44 L57 L260 I264 N312 F313 S320 F323 | N40-L316 WeakPolarHBondContact OD1-CD1 3.3Å; L44-L316 HydrophobicContact CD1-CD1 4.02Å; L57-L316 HydrophobicContact CD1-CD2 4.19Å; L260-L316 HydrophobicContact CD2-CD2 4.13Å; I264-L316 HydrophobicContact CD1-CD2 4.4Å; I264-L316 HydrophobicContact CD1-CG 4.45Å; N312-L316 WeakPolarHBondContact O-CB 3.5Å; N312-L316 VanDerWaalsContact O-CG 3.28Å; N312-L316 WeakPolarHBondContact O-CG 3.4Å; N312-L316 PolarHBondContact O-N 2.97Å; F313-L316 PolarHBondContact O-N 3.29Å; L316-S320 WeakPolarHBondContact O-CA 3.46Å; L316-S320 WeakPolarHBondContact O-CB 3.46Å; L316-S320 PolarHBondContact O-N 3.34Å; L316-F323 HydrophobicContact CB-CD1 4.16Å; L316-F323 HydrophobicContact CB-CD2 4.1Å; L316-F323 HydrophobicContact CB-CE1 4.31Å; L316-F323 HydrophobicContact CB-CE2 4.23Å; L316-F323 HydrophobicContact CB-CG 4.06Å; L316-F323 HydrophobicContact CB-CZ 4.35Å; L316-F323 HydrophobicContact CD1-CD2 4.23Å; L316-F323 HydrophobicContact CD1-CE2 4.03Å |
| 317 | C | 87.2 | Confident | 88.6 | Confident | 32 Ų | 32 | 40.8 Ų | 40.8 | 22% | 0.216 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.6 | -43.8 | 175 | -74.2 | 0 | 0 | 0 | 0 | 112.5 | F313 I314 R324 | F313-C317 WeakPolarHBondContact CZ-SG 3.44Å; F313-C317 WeakPolarHBondContact O-CB 3.49Å; F313-C317 PolarHBondContact O-N 3.33Å; F313-C317 PolarHBondContact O-SG 3.49Å; I314-C317 PolarHBondContact O-N 3.05Å; C317-R324 WeakPolarHBondContact O-CD 3.46Å; C317-R324 WeakPolarHBondContact O-CG 3.35Å; C317-R324 PolarHBondContact O-NH1 3.02Å |
| 318 | L | 86.8 | Confident | 88.5 | Confident | 116 Ų | 116 | 39.1 Ų | 39.1 | 61% | 0.607 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -73.6 | -40.4 | -176.4 | -70.4 | 175.5 | 0 | 0 | 0 | 112.9 | I314 L315 R324 | I314-L318 HydrophobicContact CG2-CD1 3.74Å; I314-L318 HydrophobicContact CG2-CG 4.36Å; I314-L318 WeakPolarHBondContact O-CB 3.35Å; I314-L318 VanDerWaalsContact O-CG 3.24Å; I314-L318 WeakPolarHBondContact O-CG 3.44Å; I314-L318 PolarHBondContact O-N 3.32Å; L315-L318 PolarHBondContact O-N 3.04Å; L318-R324 PolarHBondContact O-NH1 2.92Å |
| 319 | M | 82.8 | Confident | 88.3 | Confident | 67 Ų | 67 | 43.7 Ų | 43.7 | 33% | 0.33 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -112.1 | -17.9 | -165.1 | -57.8 | -175.3 | 74 | 0 | 0 | 114.5 | L260 T263 L315 | L260-M319 HydrophobicContact CB-CB 4.15Å; L260-M319 HydrophobicContact CB-CE 4.45Å; L260-M319 HydrophobicContact CD1-CB 3.59Å; L260-M319 HydrophobicContact CD1-CG 4.19Å; L260-M319 HydrophobicContact CD1-SD 3.88Å; L260-M319 HydrophobicContact CD2-CB 4.28Å; L260-M319 HydrophobicContact CG-CB 4.21Å; T263-M319 HydrophobicContact CG2-SD 4.04Å; L315-M319 HydrophobicContact CD2-SD 4.07Å; L315-M319 VanDerWaalsContact O-CB 3.31Å; L315-M319 WeakPolarHBondContact O-CB 3.43Å; L315-M319 PolarHBondContact O-N 3.43Å |
| 320 | S | 86.8 | Confident | 88.3 | Confident | 21 Ų | 21 | 46 Ų | 46 | 15% | 0.147 | 24% | 0.242 | C | C | . | . | trans | -101.5 | 104.6 | 179.8 | -175.5 | 0 | 0 | 0 | 0 | 111.7 | L316 Q322 F323 R324 | L316-S320 WeakPolarHBondContact O-CA 3.46Å; L316-S320 WeakPolarHBondContact O-CB 3.46Å; L316-S320 PolarHBondContact O-N 3.34Å; S320-Q322 VanDerWaalsContact C-N 3.31Å; S320-Q322 PolarHBondContact O-N 2.92Å; S320-F323 PolarHBondContact O-N 2.85Å; S320-F323 WeakPolarHBondContact OG-CB 3.43Å; S320-F323 PolarHBondContact OG-N 2.64Å; S320-R324 PolarHBondContact O-N 3.28Å | ||
| 321 | S | 84.8 | Confident | 88.2 | Confident | 75 Ų | 75 | 50 Ų | 50 | 52% | 0.524 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61 | -41.6 | 173.5 | 56 | 0 | 0 | 0 | 0 | 111.9 | F323 R324 T325 | S321-F323 VanDerWaalsContact C-N 3.32Å; S321-F323 PolarHBondContact O-N 2.73Å; S321-R324 PolarHBondContact O-N 3.15Å; S321-T325 PolarHBondContact O-N 3.47Å; S321-T325 PolarHBondContact O-OG1 3.27Å; S321-T325 VanDerWaalsContact O-OG1 3.08Å |
| 322 | Q | 85.4 | Confident | 88 | Confident | 96 Ų | 96 | 53 Ų | 53 | 45% | 0.449 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -63.7 | -40.4 | -180 | -160.9 | -171.9 | -6.8 | 0 | 0 | 111.5 | M49 S320 T326 | M49-Q322 HydrophobicContact CE-CB 4.38Å; M49-Q322 HydrophobicContact CE-CG 4.13Å; M49-Q322 HydrophobicContact SD-CB 4.35Å; M49-Q322 HydrophobicContact SD-CG 3.49Å; M49-Q322 WeakPolarHBondContact SD-CG 3.43Å; M49-Q322 PolarHBondContact SD-NE2 2.88Å; M49-Q322 VanDerWaalsContact SD-NE2 3.37Å; S320-Q322 VanDerWaalsContact C-N 3.31Å; S320-Q322 PolarHBondContact O-N 2.92Å; Q322-T326 VanDerWaalsContact O-CB 3.26Å; Q322-T326 WeakPolarHBondContact O-CB 3.33Å; Q322-T326 PolarHBondContact O-N 3.32Å; Q322-T326 VanDerWaalsContact O-N 3.11Å; Q322-T326 PolarHBondContact O-OG1 2.92Å |
| 323 | F | 87.7 | Confident | 87.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.2 | -51.1 | 174 | -175.1 | -86.9 | 0 | 0 | 0 | 110.7 | N40 V43 L44 M49 F313 L316 S320 S321 T325 T326 F327 | N40-F323 WeakPolarHBondContact OD1-CE2 3.38Å; N40-F323 WeakPolarHBondContact OD1-CZ 3.34Å; V43-F323 HydrophobicContact CB-CD2 4.21Å; V43-F323 HydrophobicContact CB-CE2 3.62Å; V43-F323 HydrophobicContact CB-CZ 3.99Å; V43-F323 HydrophobicContact CG1-CD2 3.38Å; V43-F323 HydrophobicContact CG1-CE1 4.45Å; V43-F323 HydrophobicContact CG1-CE2 3.31Å; V43-F323 HydrophobicContact CG1-CG 4.02Å; V43-F323 HydrophobicContact CG1-CZ 3.89Å; V43-F323 HydrophobicContact CG2-CE2 4.31Å; V43-F323 HydrophobicContact CG2-CZ 4.19Å; L44-F323 HydrophobicContact CD2-CD2 4.03Å; L44-F323 HydrophobicContact CD2-CE2 4.34Å; L44-F323 HydrophobicContact CG-CD2 4.39Å; L44-F323 HydrophobicContact CG-CE2 4.21Å; M49-F323 HydrophobicContact CE-CB 4.45Å; F313-F323 HydrophobicContact CD2-CZ 4.36Å; F313-F323 HydrophobicContact CE2-CE1 4.39Å; F313-F323 HydrophobicContact CE2-CZ 4.29Å; L316-F323 HydrophobicContact CB-CD1 4.16Å; L316-F323 HydrophobicContact CB-CD2 4.1Å; L316-F323 HydrophobicContact CB-CE1 4.31Å; L316-F323 HydrophobicContact CB-CE2 4.23Å; L316-F323 HydrophobicContact CB-CG 4.06Å; L316-F323 HydrophobicContact CB-CZ 4.35Å; L316-F323 HydrophobicContact CD1-CD2 4.23Å; L316-F323 HydrophobicContact CD1-CE2 4.03Å; S320-F323 PolarHBondContact O-N 2.85Å; S320-F323 WeakPolarHBondContact OG-CB 3.43Å; S320-F323 PolarHBondContact OG-N 2.64Å; S321-F323 VanDerWaalsContact C-N 3.32Å; S321-F323 PolarHBondContact O-N 2.73Å; F323-T325 PolarHBondContact O-N 2.87Å; F323-T326 PolarHBondContact O-N 2.94Å; F323-F327 HydrophobicContact CE1-CB 4.36Å; F323-F327 HydrophobicContact CE1-CD2 4.48Å; F323-F327 WeakPolarHBondContact O-CB 3.34Å; F323-F327 PolarHBondContact O-N 2.89Å |
| 324 | R | 90.7 | Very high | 86.3 | Confident | 118 Ų | 118 | 66.3 Ų | 66.3 | 45% | 0.445 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -58.1 | -45.9 | 179.6 | -75.5 | -160.7 | -64.7 | -114.6 | 7.3 | 113.6 | C317 L318 S320 S321 T326 F327 S328 | C317-R324 WeakPolarHBondContact O-CD 3.46Å; C317-R324 WeakPolarHBondContact O-CG 3.35Å; C317-R324 PolarHBondContact O-NH1 3.02Å; L318-R324 PolarHBondContact O-NH1 2.92Å; S320-R324 PolarHBondContact O-N 3.28Å; S321-R324 PolarHBondContact O-N 3.15Å; R324-T326 VanDerWaalsContact C-N 3.29Å; R324-T326 PolarHBondContact O-N 2.9Å; R324-F327 PolarHBondContact O-N 2.75Å; R324-S328 VanDerWaalsContact O-CB 3.31Å; R324-S328 WeakPolarHBondContact O-CB 3.3Å; R324-S328 PolarHBondContact O-N 2.93Å; R324-S328 PolarHBondContact O-OG 2.97Å |
| 325 | T | 89.2 | Confident | 84.8 | Confident | 51 Ų | 51 | 72.1 Ų | 72.1 | 31% | 0.313 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | 178.1 | -60.2 | 0 | 0 | 0 | 0 | 110.1 | S321 F323 S328 M329 | S321-T325 PolarHBondContact O-N 3.47Å; S321-T325 PolarHBondContact O-OG1 3.27Å; S321-T325 VanDerWaalsContact O-OG1 3.08Å; F323-T325 PolarHBondContact O-N 2.87Å; T325-S328 PolarHBondContact O-N 3.44Å; T325-M329 HydrophobicContact CG2-CE 3.54Å; T325-M329 HydrophobicContact CG2-SD 3.98Å; T325-M329 WeakPolarHBondContact O-CB 3.44Å; T325-M329 VanDerWaalsContact O-CG 3.24Å; T325-M329 WeakPolarHBondContact O-CG 3.48Å; T325-M329 PolarHBondContact O-N 3.05Å |
| 326 | T | 89.1 | Confident | 83.2 | Confident | 4 Ų | 4 | 78.6 Ų | 78.6 | 3% | 0.025 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -66.6 | -42.9 | -179.6 | -59.5 | 0 | 0 | 0 | 0 | 112.3 | V43 H48 M49 Q322 F323 R324 M329 M330 | V43-T326 HydrophobicContact CG1-CG2 3.95Å; H48-T326 WeakPolarHBondContact CE1-CG2 3.45Å; H48-T326 WeakPolarHBondContact NE2-CG2 3.26Å; H48-T326 PolarHBondContact NE2-OG1 2.8Å; M49-T326 HydrophobicContact CG-CG2 3.87Å; M49-T326 HydrophobicContact SD-CG2 4.42Å; M49-T326 PolarHBondContact SD-OG1 3.38Å; Q322-T326 VanDerWaalsContact O-CB 3.26Å; Q322-T326 WeakPolarHBondContact O-CB 3.33Å; Q322-T326 PolarHBondContact O-N 3.32Å; Q322-T326 VanDerWaalsContact O-N 3.11Å; Q322-T326 PolarHBondContact O-OG1 2.92Å; F323-T326 PolarHBondContact O-N 2.94Å; R324-T326 VanDerWaalsContact C-N 3.29Å; R324-T326 PolarHBondContact O-N 2.9Å; T326-M329 PolarHBondContact O-N 3.16Å; T326-M330 HydrophobicContact CG2-CE 3.2Å; T326-M330 VanDerWaalsContact O-CE 3.26Å; T326-M330 WeakPolarHBondContact O-CE 3.21Å; T326-M330 PolarHBondContact O-N 3.13Å |
| 327 | F | 89.8 | Confident | 81.5 | Confident | 48 Ų | 48 | 80 Ų | 80 | 21% | 0.211 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60 | -48.7 | 174 | 179.2 | -89.8 | 0 | 0 | 0 | 111.1 | L39 V43 F323 R324 M329 M330 F331 | L39-F327 HydrophobicContact CD1-CE2 4.23Å; L39-F327 HydrophobicContact CD2-CE2 4.37Å; V43-F327 HydrophobicContact CG2-CB 4.34Å; V43-F327 HydrophobicContact CG2-CD2 4.01Å; F323-F327 HydrophobicContact CE1-CB 4.36Å; F323-F327 HydrophobicContact CE1-CD2 4.48Å; F323-F327 WeakPolarHBondContact O-CB 3.34Å; F323-F327 PolarHBondContact O-N 2.89Å; R324-F327 PolarHBondContact O-N 2.75Å; F327-M329 VanDerWaalsContact C-N 3.34Å; F327-M329 PolarHBondContact O-N 3.27Å; F327-M330 PolarHBondContact O-N 3.16Å; F327-M330 VanDerWaalsContact O-N 3.1Å; F327-F331 AromaticContact CD2-CD2 3.6Å; F327-F331 HydrophobicContact CD2-CD2 3.6Å; F327-F331 AromaticContact CD2-CE2 3.97Å; F327-F331 HydrophobicContact CD2-CE2 3.97Å; F327-F331 HydrophobicContact CE1-CB 4.48Å; F327-F331 AromaticContact CE2-CD2 3.62Å; F327-F331 HydrophobicContact CE2-CD2 3.62Å; F327-F331 HydrophobicContact CE2-CE2 4.08Å; F327-F331 HydrophobicContact CE2-CG 4.34Å; F327-F331 HydrophobicContact CG-CD2 4.12Å; F327-F331 HydrophobicContact CZ-CB 4.37Å; F327-F331 HydrophobicContact CZ-CD2 4.16Å; F327-F331 WeakPolarHBondContact O-CD2 3.42Å; F327-F331 PolarHBondContact O-N 2.91Å |
| 328 | S | 89.6 | Confident | 79.6 | Confident | 39 Ų | 39 | 82.8 Ų | 82.8 | 27% | 0.273 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.3 | -43 | 179.5 | -57.5 | 0 | 0 | 0 | 0 | 111.5 | R324 T325 M330 L332 | R324-S328 VanDerWaalsContact O-CB 3.31Å; R324-S328 WeakPolarHBondContact O-CB 3.3Å; R324-S328 PolarHBondContact O-N 2.93Å; R324-S328 PolarHBondContact O-OG 2.97Å; T325-S328 PolarHBondContact O-N 3.44Å; S328-M330 PolarHBondContact O-N 3.28Å; S328-L332 WeakPolarHBondContact O-CA 3.31Å; S328-L332 WeakPolarHBondContact O-CB 3.34Å; S328-L332 PolarHBondContact O-N 2.95Å |
| 329 | M | 88.8 | Confident | 77.8 | Confident | 98 Ų | 98 | 80 Ų | 80 | 48% | 0.483 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.3 | -27.9 | 177 | -75 | 173.8 | 175.9 | 0 | 0 | 113.4 | T325 T326 F327 T337 | T325-M329 HydrophobicContact CG2-CE 3.54Å; T325-M329 HydrophobicContact CG2-SD 3.98Å; T325-M329 WeakPolarHBondContact O-CB 3.44Å; T325-M329 VanDerWaalsContact O-CG 3.24Å; T325-M329 WeakPolarHBondContact O-CG 3.48Å; T325-M329 PolarHBondContact O-N 3.05Å; T326-M329 PolarHBondContact O-N 3.16Å; F327-M329 VanDerWaalsContact C-N 3.34Å; F327-M329 PolarHBondContact O-N 3.27Å; M329-T337 HydrophobicContact CE-CG2 4.48Å; M329-T337 HydrophobicContact CG-CG2 4.07Å |
| 330 | M | 90.2 | Very high | 76.1 | Confident | 51 Ų | 51 | 80.6 Ų | 80.6 | 25% | 0.251 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -89.2 | -40.3 | -179.3 | -84.3 | -174.5 | -86.3 | 0 | 0 | 113.9 | I42 V43 R46 T326 F327 S328 | I42-M330 HydrophobicContact CG2-SD 4.41Å; V43-M330 HydrophobicContact CB-CE 4.32Å; V43-M330 HydrophobicContact CG1-CE 4.4Å; V43-M330 HydrophobicContact CG2-CE 3.96Å; R46-M330 HydrophobicContact CG-CE 3.62Å; R46-M330 HydrophobicContact CG-SD 3.69Å; R46-M330 PolarHBondContact NE-SD 3.22Å; T326-M330 HydrophobicContact CG2-CE 3.2Å; T326-M330 VanDerWaalsContact O-CE 3.26Å; T326-M330 WeakPolarHBondContact O-CE 3.21Å; T326-M330 PolarHBondContact O-N 3.13Å; F327-M330 PolarHBondContact O-N 3.16Å; F327-M330 VanDerWaalsContact O-N 3.1Å; S328-M330 PolarHBondContact O-N 3.28Å |
| 331 | F | 89.7 | Confident | 74.1 | Confident | 89 Ų | 89 | 85.2 Ų | 85.2 | 39% | 0.39 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -115.3 | -16 | -166.8 | -60.9 | -72.7 | 0 | 0 | 0 | 114 | L39 I42 V43 F327 | L39-F331 HydrophobicContact CD2-CE1 4.05Å; L39-F331 HydrophobicContact CD2-CE2 4.03Å; L39-F331 HydrophobicContact CD2-CZ 3.71Å; I42-F331 HydrophobicContact CG2-CZ 4.22Å; V43-F331 HydrophobicContact CG2-CE2 3.98Å; F327-F331 AromaticContact CD2-CD2 3.6Å; F327-F331 HydrophobicContact CD2-CD2 3.6Å; F327-F331 AromaticContact CD2-CE2 3.97Å; F327-F331 HydrophobicContact CD2-CE2 3.97Å; F327-F331 HydrophobicContact CE1-CB 4.48Å; F327-F331 AromaticContact CE2-CD2 3.62Å; F327-F331 HydrophobicContact CE2-CD2 3.62Å; F327-F331 HydrophobicContact CE2-CE2 4.08Å; F327-F331 HydrophobicContact CE2-CG 4.34Å; F327-F331 HydrophobicContact CG-CD2 4.12Å; F327-F331 HydrophobicContact CZ-CB 4.37Å; F327-F331 HydrophobicContact CZ-CD2 4.16Å; F327-F331 WeakPolarHBondContact O-CD2 3.42Å; F327-F331 PolarHBondContact O-N 2.91Å |
| 332 | L | 86.5 | Confident | 72.1 | Confident | 76 Ų | 76 | 87.7 Ų | 87.7 | 40% | 0.398 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -97.8 | 140.6 | 177.3 | -64.7 | 175 | 0 | 0 | 0 | 111.5 | S328 | S328-L332 WeakPolarHBondContact O-CA 3.31Å; S328-L332 WeakPolarHBondContact O-CB 3.34Å; S328-L332 PolarHBondContact O-N 2.95Å |
| 333 | P | 76.2 | Confident | 69.9 | Low | 87 Ų | 87 | 93.9 Ų | 93.9 | 57% | 0.565 | 46% | 0.46 | S | S | * | . | trans | -63.2 | 143.6 | 176.5 | 23 | -30.3 | 0 | 0 | 0 | 111.3 | K335 F336 | P333-K335 PolarHBondContact O-N 3.42Å; P333-F336 PolarHBondContact O-N 3.19Å; P333-F336 VanDerWaalsContact O-N 3.1Å | ||
| 334 | R | 63.6 | Low | 67.9 | Low | 226 Ų | 226 | 101.4 Ų | 101.4 | 85% | 0.853 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -48.6 | -23.1 | -171.4 | -74.4 | -176.8 | 176.1 | 173.7 | -1 | 115.8 | F336 T337 | R334-F336 PolarHBondContact O-N 3.41Å; R334-T337 PolarHBondContact O-N 3.45Å; R334-T337 VanDerWaalsContact O-N 3.11Å |
| 335 | K | 58.4 | Low | 65.3 | Low | 197 Ų | 197 | 103 Ų | 103 | 86% | 0.857 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -60.3 | -22.7 | 178.4 | -66.5 | -171.4 | 178.5 | -176.5 | 0 | 113.8 | P333 | P333-K335 PolarHBondContact O-N 3.42Š|
| 336 | F | 56.3 | Low | 62.5 | Low | 156 Ų | 156 | 108.9 Ų | 108.9 | 68% | 0.684 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -92 | -16.3 | 175.9 | -78.6 | -82.2 | 0 | 0 | 0 | 114.4 | P333 R334 | P333-F336 PolarHBondContact O-N 3.19Å; P333-F336 VanDerWaalsContact O-N 3.1Å; R334-F336 PolarHBondContact O-N 3.41Å |
| 337 | T | 52.4 | Low | 59.9 | Low | 32 Ų | 32 | 114.1 Ų | 114.1 | 20% | 0.196 | 57% | 0.57 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -78.5 | -27.9 | -171.9 | -37.9 | 0 | 0 | 0 | 0 | 112.6 | M329 R334 G339 T340 | M329-T337 HydrophobicContact CE-CG2 4.48Å; M329-T337 HydrophobicContact CG-CG2 4.07Å; R334-T337 PolarHBondContact O-N 3.45Å; R334-T337 VanDerWaalsContact O-N 3.11Å; T337-G339 VanDerWaalsContact C-N 3.25Å; T337-G339 PolarHBondContact O-N 3.13Å; T337-T340 PolarHBondContact O-N 3.24Å |
| 338 | T | 48.1 | Very low | 57.4 | Low | 92 Ų | 92 | 118.1 Ų | 118.1 | 56% | 0.564 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62.4 | -28.1 | -175.8 | -32.3 | 0 | 0 | 0 | 0 | 113.3 | T340 | T338-T340 VanDerWaalsContact C-N 3.31Å; T338-T340 PolarHBondContact O-N 2.94Å |
| 339 | G | 48 | Very low | 54.7 | Low | 57 Ų | 57 | 119.6 Ų | 119.6 | 59% | 0.588 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -71.9 | -18.6 | 179 | 0 | 0 | 0 | 0 | 0 | 115.1 | T337 | T337-G339 VanDerWaalsContact C-N 3.25Å; T337-G339 PolarHBondContact O-N 3.13Å |
| 340 | T | 47.8 | Very low | 52.4 | Low | 80 Ų | 80 | 123.1 Ų | 123.1 | 49% | 0.491 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -96 | -28.4 | -174.8 | -48.4 | 0 | 0 | 0 | 0 | 112.9 | T337 T338 | T337-T340 PolarHBondContact O-N 3.24Å; T338-T340 VanDerWaalsContact C-N 3.31Å; T338-T340 PolarHBondContact O-N 2.94Å |
| 341 | Q | 44.5 | Very low | 49.7 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 55% | 0.551 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -76.5 | -32 | 178.7 | -74.4 | -167.8 | -41.2 | 0 | 0 | 113.2 | R343 L344 | Q341-R343 PolarHBondContact O-N 3.06Å; Q341-L344 PolarHBondContact O-N 2.72Å |
| 342 | L | 41.8 | Very low | 47.3 | Very low | 126 Ų | 126 | 133.1 Ų | 133.1 | 66% | 0.66 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -13.8 | 178.9 | -84.2 | 160.4 | 0 | 0 | 0 | 115.2 | ||
| 343 | R | 40.7 | Very low | 44.9 | Very low | 226 Ų | 226 | 137.5 Ų | 137.5 | 85% | 0.853 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -10.6 | 174.1 | -83.5 | -165 | -172.3 | -168.7 | 3.9 | 114.8 | Q341 | Q341-R343 PolarHBondContact O-N 3.06Š|
| 344 | L | 44.1 | Very low | 43 | Very low | 158 Ų | 158 | 141 Ų | 141 | 83% | 0.827 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -12.8 | -178.7 | -80.4 | 159.4 | 0 | 0 | 0 | 113.5 | Q341 | Q341-L344 PolarHBondContact O-N 2.72Š|
| 345 | E | 37.5 | Very low | 41.8 | Very low | 152 Ų | 152 | 138 Ų | 138 | 71% | 0.71 | 71% | 0.714 | S | S | * | * | trans | -107.6 | 39.6 | 176.6 | -71.6 | -176.2 | 127.5 | 0 | 0 | 112.8 | P347 | E345-P347 WeakPolarHBondContact O-CD 3.3Š| ||
| 346 | Q | 30.2 | Very low | 40.8 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | trans | -79.7 | 106 | 156 | -89.5 | -172.8 | -22.4 | 0 | 0 | 107.5 | T348 | Q346-T348 PolarHBondContact O-N 3.5Š| ||
| 347 | P | 34.8 | Very low | 40 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 74% | 0.744 | S | S | * | * | trans | -71 | 131.2 | 168.6 | 2.1 | 18.4 | 0 | 0 | 0 | 105.9 | E345 G349 | E345-P347 WeakPolarHBondContact O-CD 3.3Å; P347-G349 PolarHBondContact O-N 2.97Å | ||
| 348 | T | 36.3 | Very low | 39.4 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -58.6 | 89.1 | 158.8 | 42.3 | 0 | 0 | 0 | 0 | 108 | Q346 H350 | Q346-T348 PolarHBondContact O-N 3.5Å; T348-H350 PolarHBondContact O-N 3.22Å | ||
| 349 | G | 33.2 | Very low | 38.9 | Very low | 69 Ų | 69 | 146.1 Ų | 146.1 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -68 | 81 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109 | P347 T351 | P347-G349 PolarHBondContact O-N 2.97Å; G349-T351 VanDerWaalsContact C-N 3.31Å; G349-T351 PolarHBondContact O-N 3.29Å; G349-T351 VanDerWaalsContact O-N 3.16Å | ||
| 350 | H | 39.4 | Very low | 38.4 | Very low | 173 Ų | 173 | 151.4 Ų | 151.4 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | trans | -73.2 | 93.9 | 156.6 | -94 | -64.8 | 0 | 0 | 0 | 107.3 | T348 R352 | T348-H350 PolarHBondContact O-N 3.22Å; H350-R352 PolarHBondContact O-N 3.04Å | ||
| 351 | T | 34.8 | Very low | 37.8 | Very low | 134 Ų | 134 | 155.8 Ų | 155.8 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -58.5 | 100.6 | 155.2 | 36.6 | 0 | 0 | 0 | 0 | 108.4 | G349 | G349-T351 VanDerWaalsContact C-N 3.31Å; G349-T351 PolarHBondContact O-N 3.29Å; G349-T351 VanDerWaalsContact O-N 3.16Å | ||
| 352 | R | 38 | Very low | 37.3 | Very low | 216 Ų | 216 | 158.3 Ų | 158.3 | 82% | 0.815 | 83% | 0.832 | S | S | * | * | trans | -99.6 | 108.5 | 154.8 | -92.9 | -170 | -174.7 | -176.7 | 1 | 107.6 | H350 | H350-R352 PolarHBondContact O-N 3.04Š| ||
| 353 | L | 36.4 | Very low | 37 | Very low | 167 Ų | 167 | 160.6 Ų | 160.6 | 87% | 0.874 | 84% | 0.844 | S | S | * | * | trans | -63 | 117.9 | 154 | -79.5 | 142.1 | 0 | 0 | 0 | 107.4 | ||||
| 354 | E | 37.8 | Very low | 36.7 | Very low | 160 Ų | 160 | 155.6 Ų | 155.6 | 75% | 0.748 | 84% | 0.844 | S | S | * | * | trans | -160.5 | 118.6 | 156.8 | -108.5 | 164.7 | -162.4 | 0 | 0 | 106.7 | ||||
| 355 | N | 37 | Very low | 36.1 | Very low | 163 Ų | 163 | 155.4 Ų | 155.4 | 87% | 0.872 | 85% | 0.845 | S | S | * | * | trans | 106.4 | 67.1 | -178.5 | -56.4 | -12.7 | 0 | 0 | 0 | 116.3 | ||||
| 356 | C | 38.2 | Very low | 36 | Very low | 210 Ų | 210 | 155.7 Ų | 155.7 | 100% | 1.419 | 86% | 0.857 | S | S | * | * | trans | -149.3 | 0 | 134.1 | -97 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 356 of 356 residues in 347.5 ms
(Link to these results)