| 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 | 30.3 | Very low | 54.4 | Low | 248 Ų | 248 | 94.2 Ų | 94.2 | 100% | 1.222 | 57% | 0.572 | S | S | * | * | 0 | 76.1 | 0 | -73.1 | -175 | -85 | 0 | 0 | 107.6 | |||||
| 2 | A | 30.4 | Very low | 57.5 | Low | 100 Ų | 100 | 87.8 Ų | 87.8 | 83% | 0.826 | 53% | 0.533 | S | S | * | . | trans | -71 | 127.4 | 166.7 | 0 | 0 | 0 | 0 | 0 | 106.2 | M4 | A2-M4 PolarHBondContact O-N 3.31Š| ||
| 3 | A | 31.9 | Very low | 60.3 | Low | 90 Ų | 90 | 81.9 Ų | 81.9 | 74% | 0.744 | 50% | 0.499 | S | S | * | . | trans | -59.4 | 113.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | I5 | A3-I5 PolarHBondContact O-N 2.7Š| ||
| 4 | M | 41 | Very low | 62.7 | Low | 138 Ų | 138 | 84.6 Ų | 84.6 | 68% | 0.68 | 51% | 0.507 | S | S | * | . | trans | -52.2 | 114.7 | 162.1 | -81.4 | 175.8 | 174.3 | 0 | 0 | 105.8 | A2 T6 | A2-M4 PolarHBondContact O-N 3.31Å; M4-T6 HydrophobicContact CB-CG2 3.78Å; M4-T6 PolarHBondContact O-N 3.08Å | ||
| 5 | I | 44.7 | Very low | 64.8 | Low | 132 Ų | 132 | 85.7 Ų | 85.7 | 68% | 0.677 | 50% | 0.499 | S | S | * | . | trans | -74.2 | 73 | 169.5 | -56.4 | 173.4 | 0 | 0 | 0 | 105 | A3 V7 | A3-I5 PolarHBondContact O-N 2.7Å; I5-V7 PolarHBondContact O-N 3.16Å | ||
| 6 | T | 47.8 | Very low | 66.7 | Low | 80 Ų | 80 | 80.3 Ų | 80.3 | 49% | 0.491 | 47% | 0.467 | S | S | . | . | trans | -68.7 | 128.8 | 176.1 | 53.2 | 0 | 0 | 0 | 0 | 107.7 | M4 | M4-T6 HydrophobicContact CB-CG2 3.78Å; M4-T6 PolarHBondContact O-N 3.08Å | ||
| 7 | V | 58.3 | Low | 68.4 | Low | 6 Ų | 6 | 84.5 Ų | 84.5 | 4% | 0.036 | 47% | 0.473 | C | S | . | . | trans | -52.8 | 129.1 | 163.7 | -171.3 | 0 | 0 | 0 | 0 | 107 | I5 S9 Y10 N338 L360 Y436 I437 | I5-V7 PolarHBondContact O-N 3.16Å; V7-S9 PolarHBondContact O-N 3.28Å; V7-Y10 PolarHBondContact O-N 3.44Å; V7-N338 WeakPolarHBondContact CG2-ND2 3.44Å; V7-N338 WeakPolarHBondContact CG2-OD1 3.45Å; V7-L360 WeakPolarHBondContact CG1-O 3.46Å; V7-Y436 HydrophobicContact CG2-CE1 4.25Å; V7-I437 HydrophobicContact CB-CD1 4.27Å; V7-I437 HydrophobicContact CG1-CD1 3.38Å | ||
| 8 | P | 62.3 | Low | 69.9 | Low | 83 Ų | 83 | 85.6 Ų | 85.6 | 54% | 0.539 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -0.6 | -168.9 | 17.1 | -28.8 | 0 | 0 | 0 | 115.5 | T361 | P8-T361 WeakPolarHBondContact CD-O 3.48Å; P8-T361 WeakPolarHBondContact CG-O 3.06Å |
| 9 | S | 73.3 | Confident | 71.2 | Confident | 78 Ų | 78 | 81.3 Ų | 81.3 | 55% | 0.545 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135 | 8.4 | 177.2 | -55.9 | 0 | 0 | 0 | 0 | 115.2 | V7 | V7-S9 PolarHBondContact O-N 3.28Š|
| 10 | Y | 88.3 | Confident | 72.4 | Confident | 12 Ų | 12 | 79.9 Ų | 79.9 | 5% | 0.047 | 44% | 0.442 | C | S | . | . | trans | -128.7 | 132.2 | 175.4 | 168.3 | -93.6 | 0 | 0 | 0 | 110.8 | V7 P12 C334 P337 L440 C444 Y445 | V7-Y10 PolarHBondContact O-N 3.44Å; Y10-P12 HydrophobicContact CE1-CG 4.47Å; Y10-C334 VanDerWaalsContact CE1-O 3.3Å; Y10-C334 WeakPolarHBondContact CE1-O 3.39Å; Y10-C334 WeakPolarHBondContact OH-CB 3.49Å; Y10-C334 PolarHBondContact OH-O 2.65Å; Y10-P337 HydrophobicContact CD1-CG 4.4Å; Y10-P337 HydrophobicContact CE1-CG 4.1Å; Y10-L440 HydrophobicContact CD1-CD1 4.16Å; Y10-L440 HydrophobicContact CD2-CB 3.95Å; Y10-L440 HydrophobicContact CD2-CD1 4.28Å; Y10-L440 HydrophobicContact CE2-CB 4.11Å; Y10-L440 HydrophobicContact CG-CB 4.48Å; Y10-L440 HydrophobicContact CG-CD1 3.99Å; Y10-C444 HydrophobicContact CE2-CB 3.91Å; Y10-C444 VanDerWaalsContact OH-CB 3.27Å; Y10-C444 WeakPolarHBondContact OH-CB 3.26Å; Y10-C444 PolarHBondContact OH-SG 3.3Å; Y10-C444 VanDerWaalsContact OH-SG 3.41Å; Y10-Y445 HydrophobicContact CD2-CE2 4.14Å; Y10-Y445 HydrophobicContact CE2-CD2 4.44Å; Y10-Y445 AromaticContact CE2-CE2 3.81Å; Y10-Y445 HydrophobicContact CE2-CE2 3.81Å | ||
| 11 | S | 90.6 | Very high | 73.4 | Confident | 69 Ų | 69 | 79.5 Ų | 79.5 | 48% | 0.483 | 45% | 0.449 | S | S | . | . | trans | -129.2 | 141.5 | 171.9 | 57.8 | 0 | 0 | 0 | 0 | 109.5 | S13 Y445 | S11-S13 PolarHBondContact O-N 3.01Å; S11-Y445 PolarHBondContact O-OH 2.84Å | ||
| 12 | P | 91.8 | Very high | 76.3 | Confident | 17 Ų | 17 | 70.9 Ų | 70.9 | 11% | 0.11 | 41% | 0.408 | C | S | . | . | trans | -58.6 | 136 | 175.2 | -25.1 | 34.5 | 0 | 0 | 0 | 112.3 | Y10 V16 R17 | Y10-P12 HydrophobicContact CE1-CG 4.47Å; P12-V16 HydrophobicContact CB-CB 4.2Å; P12-V16 HydrophobicContact CB-CG1 3.83Å; P12-R17 HydrophobicContact CB-CG 4.08Å | ||
| 13 | S | 93.3 | Very high | 79.1 | Confident | 12 Ų | 12 | 69.6 Ų | 69.6 | 8% | 0.084 | 39% | 0.391 | C | S | . | . | trans | -64.8 | 169.7 | 174.4 | 72.6 | 0 | 0 | 0 | 0 | 111.3 | S11 W15 V16 R17 C444 | S11-S13 PolarHBondContact O-N 3.01Å; S13-W15 VanDerWaalsContact C-N 3.27Å; S13-W15 PolarHBondContact O-N 2.92Å; S13-V16 WeakPolarHBondContact OG-CG2 3.35Å; S13-V16 PolarHBondContact OG-N 2.98Å; S13-R17 PolarHBondContact O-N 3.46Å; S13-R17 VanDerWaalsContact O-N 3.12Å; S13-R17 PolarHBondContact O-NE 3.11Å; S13-C444 PolarHBondContact OG-O 3.23Å | ||
| 14 | I | 93.9 | Very high | 81.9 | Confident | 120 Ų | 120 | 65.6 Ų | 65.6 | 62% | 0.615 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -65.4 | -36 | 175.7 | -167.4 | 153 | 0 | 0 | 0 | 111.6 | R17 M18 | I14-R17 PolarHBondContact O-N 3.33Å; I14-M18 WeakPolarHBondContact O-CB 3.41Å; I14-M18 PolarHBondContact O-N 3.03Å |
| 15 | W | 94.5 | Very high | 84.2 | Confident | 100 Ų | 100 | 61.6 Ų | 61.6 | 38% | 0.379 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.8 | -49.1 | 175.6 | -63.8 | 129.8 | 0 | 0 | 0 | 111.8 | S13 R17 M18 C19 M448 L452 | S13-W15 VanDerWaalsContact C-N 3.27Å; S13-W15 PolarHBondContact O-N 2.92Å; W15-R17 VanDerWaalsContact C-N 3.32Å; W15-R17 PolarHBondContact O-N 3.33Å; W15-M18 HydrophobicContact CE3-CE 3.78Å; W15-M18 HydrophobicContact CE3-SD 4.43Å; W15-M18 HydrophobicContact CZ3-CE 3.9Å; W15-M18 HydrophobicContact CZ3-SD 4.35Å; W15-M18 PolarHBondContact O-N 2.85Å; W15-M18 VanDerWaalsContact O-N 3.17Å; W15-C19 PolarHBondContact O-N 3.18Å; W15-C19 PolarHBondContact O-SG 3.05Å; W15-M448 HydrophobicContact CB-CG 4.1Å; W15-L452 HydrophobicContact CB-CD1 3.65Å; W15-L452 HydrophobicContact CD2-CD1 3.65Å; W15-L452 HydrophobicContact CE3-CD1 3.6Å; W15-L452 HydrophobicContact CG-CD1 3.7Å; W15-L452 HydrophobicContact CZ3-CD1 4.42Å |
| 16 | V | 95.6 | Very high | 86.3 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -56.6 | -47.7 | 175.2 | 171.3 | 0 | 0 | 0 | 0 | 110.5 | P12 S13 M18 C19 H20 S331 C334 C444 M448 | P12-V16 HydrophobicContact CB-CB 4.2Å; P12-V16 HydrophobicContact CB-CG1 3.83Å; S13-V16 WeakPolarHBondContact OG-CG2 3.35Å; S13-V16 PolarHBondContact OG-N 2.98Å; V16-M18 VanDerWaalsContact C-N 3.32Å; V16-M18 PolarHBondContact O-N 3.02Å; V16-C19 PolarHBondContact O-N 3.19Å; V16-H20 WeakPolarHBondContact O-CB 3.46Å; V16-H20 PolarHBondContact O-N 3Å; V16-S331 WeakPolarHBondContact CG1-O 3.29Å; V16-C334 HydrophobicContact CB-CB 4.38Å; V16-C334 HydrophobicContact CG1-CB 3.63Å; V16-C334 HydrophobicContact CG2-CB 3.73Å; V16-C444 HydrophobicContact CG2-CB 4.4Å; V16-C444 WeakPolarHBondContact CG2-O 3.49Å; V16-M448 HydrophobicContact CG2-CG 3.95Å; V16-M448 HydrophobicContact CG2-SD 4.3Å |
| 17 | R | 94.9 | Very high | 88.1 | Confident | 151 Ų | 151 | 58.9 Ų | 58.9 | 57% | 0.57 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -63.5 | -36.1 | 179.5 | -75.4 | -177.7 | -77 | -179.7 | -3.5 | 113.3 | P12 S13 I14 W15 A21 | P12-R17 HydrophobicContact CB-CG 4.08Å; S13-R17 PolarHBondContact O-N 3.46Å; S13-R17 VanDerWaalsContact O-N 3.12Å; S13-R17 PolarHBondContact O-NE 3.11Å; I14-R17 PolarHBondContact O-N 3.33Å; W15-R17 VanDerWaalsContact C-N 3.32Å; W15-R17 PolarHBondContact O-N 3.33Å; R17-A21 WeakPolarHBondContact O-CB 3.32Å; R17-A21 PolarHBondContact O-N 3.41Å; R17-A21 VanDerWaalsContact O-N 3.1Å |
| 18 | M | 94.7 | Very high | 89.6 | Confident | 104 Ų | 104 | 61.9 Ų | 61.9 | 51% | 0.512 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.7 | -49.8 | 178.1 | -173.7 | -174.6 | 75.7 | 0 | 0 | 111.2 | I14 W15 V16 H20 A21 | I14-M18 WeakPolarHBondContact O-CB 3.41Å; I14-M18 PolarHBondContact O-N 3.03Å; W15-M18 HydrophobicContact CE3-CE 3.78Å; W15-M18 HydrophobicContact CE3-SD 4.43Å; W15-M18 HydrophobicContact CZ3-CE 3.9Å; W15-M18 HydrophobicContact CZ3-SD 4.35Å; W15-M18 PolarHBondContact O-N 2.85Å; W15-M18 VanDerWaalsContact O-N 3.17Å; V16-M18 VanDerWaalsContact C-N 3.32Å; V16-M18 PolarHBondContact O-N 3.02Å; M18-H20 VanDerWaalsContact C-N 3.33Å; M18-A21 WeakPolarHBondContact O-CB 3.28Å; M18-A21 PolarHBondContact O-N 3.45Å; M18-A21 VanDerWaalsContact O-N 3.12Å |
| 19 | C | 95.5 | Very high | 90.7 | Very high | 5 Ų | 5 | 64.8 Ų | 64.8 | 3% | 0.034 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -66 | -37.8 | 177.4 | -64.8 | 0 | 0 | 0 | 0 | 111.6 | W15 V16 A21 L22 R24 V327 S331 | W15-C19 PolarHBondContact O-N 3.18Å; W15-C19 PolarHBondContact O-SG 3.05Å; V16-C19 PolarHBondContact O-N 3.19Å; C19-A21 PolarHBondContact O-N 2.96Å; C19-L22 WeakPolarHBondContact O-CB 3.38Å; C19-L22 WeakPolarHBondContact O-CG 3.48Å; C19-L22 PolarHBondContact O-N 3.19Å; C19-R24 PolarHBondContact O-NH2 2.69Å; C19-V327 HydrophobicContact CB-CG1 4.11Å; C19-V327 WeakPolarHBondContact SG-CG1 3.36Å; C19-S331 VanDerWaalsContact CB-CB 3.42Å; C19-S331 WeakPolarHBondContact CB-OG 3.35Å |
| 20 | H | 94.3 | Very high | 91.4 | Very high | 52 Ų | 52 | 67.3 Ų | 67.3 | 24% | 0.241 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.6 | -15.9 | 174.1 | -172.1 | 70.4 | 0 | 0 | 0 | 113 | V16 M18 R24 N34 S331 D332 S335 | V16-H20 WeakPolarHBondContact O-CB 3.46Å; V16-H20 PolarHBondContact O-N 3Å; M18-H20 VanDerWaalsContact C-N 3.33Å; H20-R24 PolarHBondContact O-NH1 3.34Å; H20-R24 PolarHBondContact O-NH2 2.96Å; H20-N34 WeakPolarHBondContact CE1-CB 3.44Å; H20-N34 PolarHBondContact CE1-O 3.04Å; H20-N34 VanDerWaalsContact CE1-O 3.31Å; H20-N34 PolarHBondContact O-ND2 2.95Å; H20-S331 PolarHBondContact N-OG 3.32Å; H20-D332 IonicContact CE1-OD1 3.5Å; H20-D332 IonicContact CG-OD1 2.9Å; H20-D332 IonicContact ND1-OD1 3.24Å; H20-D332 PolarHBondContact ND1-OD1 3.43Å; H20-S335 WeakPolarHBondContact CB-OG 3.43Å; H20-S335 PolarHBondContact ND1-OG 3.36Å |
| 21 | A | 93.2 | Very high | 91.4 | Very high | 73 Ų | 73 | 73.7 Ų | 73.7 | 60% | 0.603 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -5.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | R17 M18 C19 | R17-A21 WeakPolarHBondContact O-CB 3.32Å; R17-A21 PolarHBondContact O-N 3.41Å; R17-A21 VanDerWaalsContact O-N 3.1Å; M18-A21 WeakPolarHBondContact O-CB 3.28Å; M18-A21 PolarHBondContact O-N 3.45Å; M18-A21 VanDerWaalsContact O-N 3.12Å; C19-A21 PolarHBondContact O-N 2.96Å |
| 22 | L | 92.3 | Very high | 91.3 | Very high | 67 Ų | 67 | 75.3 Ų | 75.3 | 35% | 0.351 | 38% | 0.381 | S | S | . | . | S | Bend | trans | -63.6 | 136.7 | -177.6 | -69 | 171.7 | 0 | 0 | 0 | 111.8 | C19 R24 L50 V328 | C19-L22 WeakPolarHBondContact O-CB 3.38Å; C19-L22 WeakPolarHBondContact O-CG 3.48Å; C19-L22 PolarHBondContact O-N 3.19Å; L22-R24 PolarHBondContact O-N 3.41Å; L22-R24 PolarHBondContact O-NH1 3.03Å; L22-L50 HydrophobicContact CD1-CD2 4.26Å; L22-V328 HydrophobicContact CD1-CG2 3.62Å |
| 23 | P | 89.9 | Confident | 91 | Very high | 72 Ų | 72 | 80.4 Ų | 80.4 | 47% | 0.468 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 121.4 | -179 | 26.4 | -33.1 | 0 | 0 | 0 | 110.8 | M31 | P23-M31 HydrophobicContact CB-CE 4.29Š|
| 24 | R | 89.8 | Confident | 90.7 | Very high | 6 Ų | 6 | 81.9 Ų | 81.9 | 2% | 0.023 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 120.3 | 169.3 | -72.2 | 94.5 | -173.5 | 142.5 | 6.3 | 108.9 | C19 H20 L22 M31 R32 N34 T46 D332 | C19-R24 PolarHBondContact O-NH2 2.69Å; H20-R24 PolarHBondContact O-NH1 3.34Å; H20-R24 PolarHBondContact O-NH2 2.96Å; L22-R24 PolarHBondContact O-N 3.41Å; L22-R24 PolarHBondContact O-NH1 3.03Å; R24-M31 CarbonylContact O-C 3.58Å; R24-M31 WeakPolarHBondContact O-CA 3.29Å; R24-R32 HydrophobicContact CB-CB 4.37Å; R24-R32 PolarHBondContact O-N 3.48Å; R24-N34 WeakPolarHBondContact CD-OD1 3.36Å; R24-N34 PolarHBondContact NE-OD1 3.43Å; R24-N34 PolarHBondContact NH1-ND2 3.15Å; R24-N34 PolarHBondContact NH1-OD1 3.06Å; R24-T46 HydrophobicContact CB-CG2 3.94Å; R24-D332 IonicContact CZ-OD1 2.74Å; R24-D332 IonicContact CZ-OD2 3.46Å; R24-D332 IonicContact NE-OD1 2.72Å; R24-D332 IonicContact NE-OD2 3.52Å; R24-D332 PolarHBondContact NE-OD2 3.46Å; R24-D332 IonicContact NH2-OD1 3.38Å; R24-D332 PolarHBondContact NH2-OD1 2.91Å; R24-D332 IonicContact NH2-OD2 3.59Å; R24-D332 PolarHBondContact NH2-OD2 3.2Å |
| 25 | L | 89.7 | Confident | 90.5 | Very high | 55 Ų | 55 | 81.7 Ų | 81.7 | 29% | 0.288 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 138.4 | 177.9 | -63.5 | 172.2 | 0 | 0 | 0 | 108.9 | M29 Q30 T46 I49 | L25-M29 HydrophobicContact CD1-SD 4.2Å; L25-Q30 WeakPolarHBondContact CA-O 3.5Å; L25-T46 WeakPolarHBondContact O-CA 3.44Å; L25-T46 WeakPolarHBondContact O-CG2 3.39Å; L25-I49 HydrophobicContact CB-CG2 4.45Å; L25-I49 WeakPolarHBondContact O-CD1 3.49Å |
| 26 | D | 87.6 | Confident | 90.4 | Very high | 23 Ų | 23 | 79.2 Ų | 79.2 | 12% | 0.123 | 41% | 0.405 | C | S | . | . | trans | -85.6 | 178.4 | 166.6 | 82.6 | -13.3 | 0 | 0 | 0 | 111.3 | S28 M29 Q30 I49 | D26-S28 PolarHBondContact O-N 2.95Å; D26-S28 VanDerWaalsContact O-N 3.15Å; D26-S28 WeakPolarHBondContact OD1-CA 3.41Å; D26-S28 WeakPolarHBondContact OD1-CB 3.4Å; D26-S28 PolarHBondContact OD1-N 3.2Å; D26-S28 PolarHBondContact OD1-OG 3.43Å; D26-S28 PolarHBondContact OD2-OG 3.18Å; D26-M29 PolarHBondContact O-N 3.06Å; D26-M29 PolarHBondContact OD1-N 3.31Å; D26-Q30 PolarHBondContact N-O 3.44Å; D26-Q30 PolarHBondContact OD1-N 3.5Å; D26-I49 WeakPolarHBondContact O-CD1 3.29Å | ||
| 27 | L | 86.3 | Confident | 90.2 | Very high | 131 Ų | 131 | 80.8 Ų | 80.8 | 69% | 0.686 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -17.4 | 177.9 | -70.4 | 171.5 | 0 | 0 | 0 | 113.6 | M29 I49 | L27-M29 VanDerWaalsContact C-N 3.3Å; L27-I49 HydrophobicContact CD2-CD1 4.08Å; L27-I49 HydrophobicContact CD2-CG1 4.28Å; L27-I49 HydrophobicContact CG-CD1 4.29Å |
| 28 | S | 88.9 | Confident | 90 | Very high | 70 Ų | 70 | 75.4 Ų | 75.4 | 49% | 0.49 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | 7.8 | 174.5 | 79.1 | 0 | 0 | 0 | 0 | 113.3 | D26 Q30 | D26-S28 PolarHBondContact O-N 2.95Å; D26-S28 VanDerWaalsContact O-N 3.15Å; D26-S28 WeakPolarHBondContact OD1-CA 3.41Å; D26-S28 WeakPolarHBondContact OD1-CB 3.4Å; D26-S28 PolarHBondContact OD1-N 3.2Å; D26-S28 PolarHBondContact OD1-OG 3.43Å; D26-S28 PolarHBondContact OD2-OG 3.18Å; S28-Q30 PolarHBondContact O-N 3.15Å; S28-Q30 WeakPolarHBondContact OG-CG 3.43Å |
| 29 | M | 85.6 | Confident | 89.8 | Confident | 143 Ų | 143 | 77.1 Ų | 77.1 | 70% | 0.704 | 41% | 0.414 | S | S | * | . | S | Bend | trans | 60.1 | 30.2 | -176.2 | -63.2 | -72.2 | -173.6 | 0 | 0 | 113.2 | L25 D26 L27 | L25-M29 HydrophobicContact CD1-SD 4.2Å; D26-M29 PolarHBondContact O-N 3.06Å; D26-M29 PolarHBondContact OD1-N 3.31Å; L27-M29 VanDerWaalsContact C-N 3.3Å |
| 30 | Q | 88.4 | Confident | 89.6 | Confident | 131 Ų | 131 | 78.6 Ų | 78.6 | 61% | 0.612 | 43% | 0.425 | S | S | * | . | trans | -94.5 | 140.2 | 173 | -68.1 | -172.2 | -3.1 | 0 | 0 | 111.1 | L25 D26 S28 | L25-Q30 WeakPolarHBondContact CA-O 3.5Å; D26-Q30 PolarHBondContact N-O 3.44Å; D26-Q30 PolarHBondContact OD1-N 3.5Å; S28-Q30 PolarHBondContact O-N 3.15Å; S28-Q30 WeakPolarHBondContact OG-CG 3.43Å | ||
| 31 | M | 87.7 | Confident | 89.4 | Confident | 146 Ų | 146 | 83 Ų | 83 | 72% | 0.719 | 44% | 0.439 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 129.9 | 176.4 | -164.7 | 172.2 | -164.2 | 0 | 0 | 110 | P23 R24 | P23-M31 HydrophobicContact CB-CE 4.29Å; R24-M31 CarbonylContact O-C 3.58Å; R24-M31 WeakPolarHBondContact O-CA 3.29Å |
| 32 | R | 88.6 | Confident | 89.4 | Confident | 103 Ų | 103 | 83.3 Ų | 83.3 | 39% | 0.389 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 158 | 178.2 | -173.9 | 165.5 | -79.9 | -117.5 | 6.9 | 110.8 | R24 E42 T46 | R24-R32 HydrophobicContact CB-CB 4.37Å; R24-R32 PolarHBondContact O-N 3.48Å; R32-E42 VanDerWaalsContact CZ-CB 3.41Å; R32-T46 HydrophobicContact CB-CG2 4.28Å |
| 33 | D | 86.6 | Confident | 89.4 | Confident | 125 Ų | 125 | 80.6 Ų | 80.6 | 67% | 0.668 | 41% | 0.414 | S | S | * | . | trans | -66.2 | 154.4 | 177.7 | -59.9 | -39.5 | 0 | 0 | 0 | 112.2 | I35 | D33-I35 HydrophobicContact CB-CD1 4.18Å; D33-I35 HydrophobicContact CB-CG1 4.14Å; D33-I35 PolarHBondContact O-N 3Å | ||
| 34 | N | 86 | Confident | 89.6 | Confident | 43 Ų | 43 | 81 Ų | 81 | 23% | 0.23 | 41% | 0.409 | C | S | . | . | trans | -91.4 | 25.3 | -176 | -48.4 | -16.3 | 0 | 0 | 0 | 112.5 | H20 R24 F36 | H20-N34 WeakPolarHBondContact CE1-CB 3.44Å; H20-N34 PolarHBondContact CE1-O 3.04Å; H20-N34 VanDerWaalsContact CE1-O 3.31Å; H20-N34 PolarHBondContact O-ND2 2.95Å; R24-N34 WeakPolarHBondContact CD-OD1 3.36Å; R24-N34 PolarHBondContact NE-OD1 3.43Å; R24-N34 PolarHBondContact NH1-ND2 3.15Å; R24-N34 PolarHBondContact NH1-OD1 3.06Å; N34-F36 PolarHBondContact O-N 3.44Å | ||
| 35 | I | 90.5 | Very high | 89.8 | Confident | 116 Ų | 116 | 82.2 Ų | 82.2 | 60% | 0.595 | 42% | 0.415 | S | S | * | . | trans | -75.7 | 127.3 | -175.1 | -60.6 | 170.1 | 0 | 0 | 0 | 108.5 | D33 A37 Y43 | D33-I35 HydrophobicContact CB-CD1 4.18Å; D33-I35 HydrophobicContact CB-CG1 4.14Å; D33-I35 PolarHBondContact O-N 3Å; I35-A37 PolarHBondContact O-N 3.11Å; I35-Y43 WeakPolarHBondContact O-CD2 3.22Å | ||
| 36 | F | 93 | Very high | 89.9 | Confident | 47 Ų | 47 | 79.9 Ų | 79.9 | 21% | 0.206 | 40% | 0.403 | C | S | . | . | trans | -65.6 | 105.4 | 176.7 | -175.2 | -107.7 | 0 | 0 | 0 | 110.9 | N34 P38 Y43 A329 D332 F333 F340 | N34-F36 PolarHBondContact O-N 3.44Å; F36-P38 HydrophobicContact CD1-CG 4.38Å; F36-P38 HydrophobicContact CE1-CG 3.71Å; F36-P38 HydrophobicContact CE2-CG 4.47Å; F36-P38 HydrophobicContact CZ-CB 4.12Å; F36-P38 HydrophobicContact CZ-CG 3.76Å; F36-Y43 VanDerWaalsContact CD2-OH 3.32Å; F36-Y43 WeakPolarHBondContact CD2-OH 3.28Å; F36-A329 VanDerWaalsContact CD2-O 3.27Å; F36-A329 WeakPolarHBondContact CD2-O 3.47Å; F36-A329 HydrophobicContact CE2-CB 4.41Å; F36-A329 VanDerWaalsContact CE2-O 3.3Å; F36-A329 WeakPolarHBondContact CE2-O 3.47Å; F36-D332 HydrophobicContact CB-CB 4.02Å; F36-D332 HydrophobicContact CD2-CB 4.07Å; F36-F333 HydrophobicContact CD1-CB 4.09Å; F36-F333 HydrophobicContact CD1-CD2 4.08Å; F36-F333 HydrophobicContact CD2-CB 3.81Å; F36-F333 HydrophobicContact CE1-CB 4.11Å; F36-F333 AromaticContact CE1-CD2 3.92Å; F36-F333 HydrophobicContact CE1-CD2 3.92Å; F36-F333 HydrophobicContact CE1-CG 4.43Å; F36-F333 HydrophobicContact CE2-CB 3.85Å; F36-F333 HydrophobicContact CG-CB 3.93Å; F36-F333 HydrophobicContact CZ-CB 4Å; F36-F333 HydrophobicContact CZ-CD2 4.46Å; F36-F340 HydrophobicContact CD1-CB 3.99Å; F36-F340 HydrophobicContact CD1-CD1 4.4Å; F36-F340 AromaticContact CD1-CD2 3.56Å; F36-F340 HydrophobicContact CD1-CD2 3.56Å; F36-F340 HydrophobicContact CD1-CE2 4.14Å; F36-F340 AromaticContact CD1-CG 3.71Å; F36-F340 HydrophobicContact CD1-CG 3.71Å; F36-F340 HydrophobicContact CE1-CB 4.4Å; F36-F340 AromaticContact CE1-CD1 3.97Å; F36-F340 HydrophobicContact CE1-CD1 3.97Å; F36-F340 AromaticContact CE1-CD2 3.52Å; F36-F340 HydrophobicContact CE1-CD2 3.52Å; F36-F340 HydrophobicContact CE1-CE1 4.08Å; F36-F340 AromaticContact CE1-CE2 3.66Å; F36-F340 HydrophobicContact CE1-CE2 3.66Å; F36-F340 AromaticContact CE1-CG 3.68Å; F36-F340 HydrophobicContact CE1-CG 3.68Å; F36-F340 AromaticContact CE1-CZ 3.93Å; F36-F340 HydrophobicContact CE1-CZ 3.93Å | ||
| 37 | A | 91.4 | Very high | 90.2 | Very high | 33 Ų | 33 | 79.8 Ų | 79.8 | 27% | 0.273 | 40% | 0.402 | S | S | . | . | trans | -138.4 | 68.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111 | I35 D39 S40 Y43 | I35-A37 PolarHBondContact O-N 3.11Å; A37-D39 PolarHBondContact O-N 2.86Å; A37-D39 VanDerWaalsContact O-N 3.15Å; A37-S40 WeakPolarHBondContact CB-OG 3.47Å; A37-S40 PolarHBondContact O-N 3.03Å; A37-S40 PolarHBondContact O-OG 3.08Å; A37-Y43 HydrophobicContact CB-CG 4.42Å; A37-Y43 VanDerWaalsContact O-CB 3.24Å; A37-Y43 WeakPolarHBondContact O-CB 3.48Å; A37-Y43 VanDerWaalsContact O-CD1 3.23Å; A37-Y43 WeakPolarHBondContact O-CD1 3.47Å | ||
| 38 | P | 90.3 | Very high | 90.6 | Very high | 38 Ų | 38 | 78.5 Ų | 78.5 | 25% | 0.247 | 40% | 0.396 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -27.3 | -169.4 | 25.7 | -35.8 | 0 | 0 | 0 | 114.1 | F36 Q44 F340 | F36-P38 HydrophobicContact CD1-CG 4.38Å; F36-P38 HydrophobicContact CE1-CG 3.71Å; F36-P38 HydrophobicContact CE2-CG 4.47Å; F36-P38 HydrophobicContact CZ-CB 4.12Å; F36-P38 HydrophobicContact CZ-CG 3.76Å; P38-Q44 PolarHBondContact O-NE2 3.17Å; P38-F340 HydrophobicContact CG-CE2 3.73Å; P38-F340 HydrophobicContact CG-CZ 4.24Å |
| 39 | D | 89.2 | Confident | 90.8 | Very high | 141 Ų | 141 | 76.9 Ų | 76.9 | 75% | 0.754 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -14.9 | 179.1 | -58.4 | -45.5 | 0 | 0 | 0 | 113.4 | A37 | A37-D39 PolarHBondContact O-N 2.86Å; A37-D39 VanDerWaalsContact O-N 3.15Å |
| 40 | S | 92.4 | Very high | 91.2 | Very high | 36 Ų | 36 | 71.4 Ų | 71.4 | 25% | 0.252 | 36% | 0.355 | S | S | . | . | trans | -81.7 | 130.3 | 179.8 | 70.6 | 0 | 0 | 0 | 0 | 110.9 | A37 E42 Y43 Q44 | A37-S40 WeakPolarHBondContact CB-OG 3.47Å; A37-S40 PolarHBondContact O-N 3.03Å; A37-S40 PolarHBondContact O-OG 3.08Å; S40-E42 PolarHBondContact O-N 3.2Å; S40-Y43 PolarHBondContact O-N 2.98Å; S40-Y43 WeakPolarHBondContact OG-CB 3.12Å; S40-Y43 PolarHBondContact OG-N 3.44Å; S40-Q44 WeakPolarHBondContact O-CG 3.34Å; S40-Q44 PolarHBondContact O-N 3.36Å; S40-Q44 VanDerWaalsContact O-N 3.15Å | ||
| 41 | W | 91 | Very high | 91.5 | Very high | 143 Ų | 143 | 66.4 Ų | 66.4 | 54% | 0.542 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.8 | -38 | 179.1 | 172.2 | -112.9 | 0 | 0 | 0 | 111.5 | Y43 Q44 Q45 | W41-Y43 VanDerWaalsContact C-N 3.32Å; W41-Y43 PolarHBondContact O-N 2.9Å; W41-Q44 PolarHBondContact O-N 2.79Å; W41-Q45 HydrophobicContact CD2-CG 4.12Å; W41-Q45 HydrophobicContact CG-CG 4.46Å; W41-Q45 HydrophobicContact CZ2-CG 3.83Å; W41-Q45 WeakPolarHBondContact O-CG 3.38Å; W41-Q45 PolarHBondContact O-N 3.13Å |
| 42 | E | 91.7 | Very high | 91.8 | Very high | 80 Ų | 80 | 61.8 Ų | 61.8 | 37% | 0.374 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.5 | -35.3 | -178.7 | -58.2 | 80.5 | -179 | 0 | 0 | 112.4 | R32 S40 T46 | R32-E42 VanDerWaalsContact CZ-CB 3.41Å; S40-E42 PolarHBondContact O-N 3.2Å; E42-T46 WeakPolarHBondContact O-CG2 3.11Å; E42-T46 PolarHBondContact O-N 3.08Å |
| 43 | Y | 92.4 | Very high | 92.1 | Very high | 11 Ų | 11 | 61.8 Ų | 61.8 | 4% | 0.043 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.7 | -46.8 | 173 | 176.6 | -101.7 | 0 | 0 | 0 | 110.9 | I35 F36 A37 S40 W41 Q45 T46 L47 A329 | I35-Y43 WeakPolarHBondContact O-CD2 3.22Å; F36-Y43 VanDerWaalsContact CD2-OH 3.32Å; F36-Y43 WeakPolarHBondContact CD2-OH 3.28Å; A37-Y43 HydrophobicContact CB-CG 4.42Å; A37-Y43 VanDerWaalsContact O-CB 3.24Å; A37-Y43 WeakPolarHBondContact O-CB 3.48Å; A37-Y43 VanDerWaalsContact O-CD1 3.23Å; A37-Y43 WeakPolarHBondContact O-CD1 3.47Å; S40-Y43 PolarHBondContact O-N 2.98Å; S40-Y43 WeakPolarHBondContact OG-CB 3.12Å; S40-Y43 PolarHBondContact OG-N 3.44Å; W41-Y43 VanDerWaalsContact C-N 3.32Å; W41-Y43 PolarHBondContact O-N 2.9Å; Y43-Q45 VanDerWaalsContact C-N 3.25Å; Y43-Q45 PolarHBondContact O-N 3.13Å; Y43-T46 PolarHBondContact O-N 3.37Å; Y43-T46 PolarHBondContact O-OG1 3.15Å; Y43-L47 HydrophobicContact CD1-CD1 4.11Å; Y43-L47 HydrophobicContact CE1-CD1 3.57Å; Y43-L47 HydrophobicContact CE1-CG 4.27Å; Y43-L47 PolarHBondContact O-N 3.18Å; Y43-A329 VanDerWaalsContact OH-CA 3.24Å; Y43-A329 WeakPolarHBondContact OH-CA 3.42Å |
| 44 | Q | 94.2 | Very high | 92.6 | Very high | 79 Ų | 79 | 56.4 Ų | 56.4 | 37% | 0.369 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -57.4 | -39.2 | 176 | -66.6 | 175.3 | -2.3 | 0 | 0 | 112 | P38 S40 W41 T46 L47 L48 | P38-Q44 PolarHBondContact O-NE2 3.17Å; S40-Q44 WeakPolarHBondContact O-CG 3.34Å; S40-Q44 PolarHBondContact O-N 3.36Å; S40-Q44 VanDerWaalsContact O-N 3.15Å; W41-Q44 PolarHBondContact O-N 2.79Å; Q44-T46 VanDerWaalsContact C-N 3.34Å; Q44-T46 PolarHBondContact O-N 3.17Å; Q44-L47 PolarHBondContact O-N 3.34Å; Q44-L48 WeakPolarHBondContact O-CG 3.45Å; Q44-L48 PolarHBondContact O-N 3.02Å |
| 45 | Q | 93.3 | Very high | 93.1 | Very high | 33 Ų | 33 | 56.8 Ų | 56.8 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.4 | -43 | 174.3 | -76.2 | -176.9 | -30.3 | 0 | 0 | 112.8 | W41 Y43 L47 L48 I49 | W41-Q45 HydrophobicContact CD2-CG 4.12Å; W41-Q45 HydrophobicContact CG-CG 4.46Å; W41-Q45 HydrophobicContact CZ2-CG 3.83Å; W41-Q45 WeakPolarHBondContact O-CG 3.38Å; W41-Q45 PolarHBondContact O-N 3.13Å; Y43-Q45 VanDerWaalsContact C-N 3.25Å; Y43-Q45 PolarHBondContact O-N 3.13Å; Q45-L47 VanDerWaalsContact C-N 3.32Å; Q45-L47 PolarHBondContact O-N 2.87Å; Q45-L48 PolarHBondContact O-N 3.33Å; Q45-I49 WeakPolarHBondContact O-CG1 3.48Å; Q45-I49 PolarHBondContact O-N 3.35Å |
| 46 | T | 93.4 | Very high | 93.4 | Very high | 5 Ų | 5 | 55.7 Ų | 55.7 | 3% | 0.031 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 179.5 | 66.4 | 0 | 0 | 0 | 0 | 111.9 | R24 L25 R32 E42 Y43 Q44 I49 L50 | R24-T46 HydrophobicContact CB-CG2 3.94Å; L25-T46 WeakPolarHBondContact O-CA 3.44Å; L25-T46 WeakPolarHBondContact O-CG2 3.39Å; R32-T46 HydrophobicContact CB-CG2 4.28Å; E42-T46 WeakPolarHBondContact O-CG2 3.11Å; E42-T46 PolarHBondContact O-N 3.08Å; Y43-T46 PolarHBondContact O-N 3.37Å; Y43-T46 PolarHBondContact O-OG1 3.15Å; Q44-T46 VanDerWaalsContact C-N 3.34Å; Q44-T46 PolarHBondContact O-N 3.17Å; T46-I49 PolarHBondContact O-N 3.13Å; T46-L50 PolarHBondContact O-N 3.01Å; T46-L50 VanDerWaalsContact O-N 3.13Å |
| 47 | L | 94.3 | Very high | 93.6 | Very high | 22 Ų | 22 | 54.6 Ų | 54.6 | 12% | 0.115 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 175.2 | -62.2 | -179.8 | 0 | 0 | 0 | 111.8 | Y43 Q44 Q45 I49 L50 S51 A325 V328 A329 | Y43-L47 HydrophobicContact CD1-CD1 4.11Å; Y43-L47 HydrophobicContact CE1-CD1 3.57Å; Y43-L47 HydrophobicContact CE1-CG 4.27Å; Y43-L47 PolarHBondContact O-N 3.18Å; Q44-L47 PolarHBondContact O-N 3.34Å; Q45-L47 VanDerWaalsContact C-N 3.32Å; Q45-L47 PolarHBondContact O-N 2.87Å; L47-I49 VanDerWaalsContact C-N 3.32Å; L47-I49 PolarHBondContact O-N 3.24Å; L47-L50 PolarHBondContact O-N 3.18Å; L47-S51 VanDerWaalsContact O-CB 3.31Å; L47-S51 WeakPolarHBondContact O-CB 3.2Å; L47-S51 PolarHBondContact O-N 3.24Å; L47-A325 HydrophobicContact CB-CB 4.38Å; L47-V328 HydrophobicContact CD2-CB 4.05Å; L47-V328 HydrophobicContact CD2-CG1 3.74Å; L47-A329 HydrophobicContact CD1-CB 3.92Å; L47-A329 HydrophobicContact CD2-CB 4.46Å |
| 48 | L | 93.6 | Very high | 93.9 | Very high | 103 Ų | 103 | 54.4 Ų | 54.4 | 54% | 0.539 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.8 | -40.5 | 175.4 | -73.4 | 172.4 | 0 | 0 | 0 | 111.8 | Q44 Q45 S51 S52 | Q44-L48 WeakPolarHBondContact O-CG 3.45Å; Q44-L48 PolarHBondContact O-N 3.02Å; Q45-L48 PolarHBondContact O-N 3.33Å; L48-S51 PolarHBondContact O-N 3.42Å; L48-S52 WeakPolarHBondContact O-CB 3.29Å; L48-S52 PolarHBondContact O-N 2.95Å |
| 49 | I | 93.9 | Very high | 94.2 | Very high | 37 Ų | 37 | 56.3 Ų | 56.3 | 19% | 0.19 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.7 | -44 | 176.4 | -71.8 | 161.8 | 0 | 0 | 0 | 110.4 | L25 D26 L27 Q45 T46 L47 S52 | L25-I49 HydrophobicContact CB-CG2 4.45Å; L25-I49 WeakPolarHBondContact O-CD1 3.49Å; D26-I49 WeakPolarHBondContact O-CD1 3.29Å; L27-I49 HydrophobicContact CD2-CD1 4.08Å; L27-I49 HydrophobicContact CD2-CG1 4.28Å; L27-I49 HydrophobicContact CG-CD1 4.29Å; Q45-I49 WeakPolarHBondContact O-CG1 3.48Å; Q45-I49 PolarHBondContact O-N 3.35Å; T46-I49 PolarHBondContact O-N 3.13Å; L47-I49 VanDerWaalsContact C-N 3.32Å; L47-I49 PolarHBondContact O-N 3.24Å; I49-S52 WeakPolarHBondContact O-CB 3.3Å; I49-S52 PolarHBondContact O-N 2.9Å; I49-S52 PolarHBondContact O-OG 3.47Å |
| 50 | L | 93.2 | Very high | 94.6 | Very high | 28 Ų | 28 | 54.2 Ų | 54.2 | 15% | 0.147 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.3 | -41.9 | 178.1 | -163.4 | 72.7 | 0 | 0 | 0 | 112 | L22 T46 L47 S52 L53 T324 V328 | L22-L50 HydrophobicContact CD1-CD2 4.26Å; T46-L50 PolarHBondContact O-N 3.01Å; T46-L50 VanDerWaalsContact O-N 3.13Å; L47-L50 PolarHBondContact O-N 3.18Å; L50-S52 VanDerWaalsContact C-N 3.26Å; L50-S52 PolarHBondContact O-N 3.14Å; L50-L53 HydrophobicContact CD1-CD1 3.84Å; L50-L53 VanDerWaalsContact O-CB 3.31Å; L50-L53 WeakPolarHBondContact O-CB 3.46Å; L50-L53 WeakPolarHBondContact O-CG 3.41Å; L50-L53 PolarHBondContact O-N 3.37Å; L50-T324 HydrophobicContact CB-CG2 4.39Å; L50-T324 HydrophobicContact CD2-CG2 3.66Å; L50-T324 HydrophobicContact CG-CG2 3.62Å; L50-V328 HydrophobicContact CD2-CB 4.02Å; L50-V328 HydrophobicContact CD2-CG1 4.3Å; L50-V328 HydrophobicContact CD2-CG2 3.25Å |
| 51 | S | 94.4 | Very high | 94.8 | Very high | 26 Ų | 26 | 52.8 Ų | 52.8 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.4 | -36.4 | 173.6 | -172.7 | 0 | 0 | 0 | 0 | 112.1 | L47 L48 L53 S54 G321 | L47-S51 VanDerWaalsContact O-CB 3.31Å; L47-S51 WeakPolarHBondContact O-CB 3.2Å; L47-S51 PolarHBondContact O-N 3.24Å; L48-S51 PolarHBondContact O-N 3.42Å; S51-L53 PolarHBondContact O-N 3.33Å; S51-L53 VanDerWaalsContact O-N 3.09Å; S51-S54 PolarHBondContact O-N 3.01Å; S51-S54 PolarHBondContact O-OG 3.43Å; S51-G321 WeakPolarHBondContact CB-O 3.33Å; S51-G321 WeakPolarHBondContact OG-CA 3.2Å; S51-G321 PolarHBondContact OG-O 2.99Å |
| 52 | S | 94.9 | Very high | 95.1 | Very high | 49 Ų | 49 | 48.5 Ų | 48.5 | 34% | 0.343 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -62.3 | -18.6 | 179.2 | 81.3 | 0 | 0 | 0 | 0 | 114.1 | L48 I49 L50 S54 A55 I56 | L48-S52 WeakPolarHBondContact O-CB 3.29Å; L48-S52 PolarHBondContact O-N 2.95Å; I49-S52 WeakPolarHBondContact O-CB 3.3Å; I49-S52 PolarHBondContact O-N 2.9Å; I49-S52 PolarHBondContact O-OG 3.47Å; L50-S52 VanDerWaalsContact C-N 3.26Å; L50-S52 PolarHBondContact O-N 3.14Å; S52-S54 PolarHBondContact O-N 2.89Å; S52-A55 WeakPolarHBondContact O-CB 3.48Å; S52-A55 PolarHBondContact O-N 3.2Å; S52-A55 VanDerWaalsContact O-N 3.08Å; S52-I56 WeakPolarHBondContact O-CG1 3.42Å; S52-I56 PolarHBondContact O-N 3Å |
| 53 | L | 94.3 | Very high | 95.3 | Very high | 103 Ų | 103 | 49.6 Ų | 49.6 | 54% | 0.539 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60 | -35 | 172.5 | -65.5 | 175.5 | 0 | 0 | 0 | 111.9 | L50 S51 A55 I56 A57 | L50-L53 HydrophobicContact CD1-CD1 3.84Å; L50-L53 VanDerWaalsContact O-CB 3.31Å; L50-L53 WeakPolarHBondContact O-CB 3.46Å; L50-L53 WeakPolarHBondContact O-CG 3.41Å; L50-L53 PolarHBondContact O-N 3.37Å; S51-L53 PolarHBondContact O-N 3.33Å; S51-L53 VanDerWaalsContact O-N 3.09Å; L53-A55 VanDerWaalsContact C-N 3.35Å; L53-I56 HydrophobicContact CD2-CD1 4.43Å; L53-I56 PolarHBondContact O-N 3.25Å; L53-A57 WeakPolarHBondContact O-CB 3.5Å; L53-A57 PolarHBondContact O-N 3.35Å |
| 54 | S | 96.8 | Very high | 95.5 | Very high | 11 Ų | 11 | 52.6 Ų | 52.6 | 8% | 0.077 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.7 | -35 | 175.2 | 88.6 | 0 | 0 | 0 | 0 | 111.5 | S51 S52 A57 L58 W317 G321 | S51-S54 PolarHBondContact O-N 3.01Å; S51-S54 PolarHBondContact O-OG 3.43Å; S52-S54 PolarHBondContact O-N 2.89Å; S54-A57 PolarHBondContact O-N 3.28Å; S54-L58 WeakPolarHBondContact O-CB 3.35Å; S54-L58 PolarHBondContact O-N 3.45Å; S54-W317 WeakPolarHBondContact CB-O 3.2Å; S54-W317 PolarHBondContact OG-O 3.4Å; S54-G321 WeakPolarHBondContact OG-CA 3.2Å; S54-G321 PolarHBondContact OG-N 3Å |
| 55 | A | 96.6 | Very high | 95.4 | Very high | 52 Ų | 52 | 49 Ų | 49 | 43% | 0.43 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.4 | -39.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S52 L53 A57 L58 V59 | S52-A55 WeakPolarHBondContact O-CB 3.48Å; S52-A55 PolarHBondContact O-N 3.2Å; S52-A55 VanDerWaalsContact O-N 3.08Å; L53-A55 VanDerWaalsContact C-N 3.35Å; A55-A57 VanDerWaalsContact C-N 3.34Å; A55-L58 WeakPolarHBondContact O-CB 3.45Å; A55-L58 PolarHBondContact O-N 2.97Å; A55-V59 WeakPolarHBondContact O-CG2 3.41Å; A55-V59 PolarHBondContact O-N 3.35Å |
| 56 | I | 96.9 | Very high | 95.3 | Very high | 93 Ų | 93 | 52 Ų | 52 | 48% | 0.477 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 172.5 | -66.2 | 166.7 | 0 | 0 | 0 | 110 | S52 L53 L58 V59 I60 | S52-I56 WeakPolarHBondContact O-CG1 3.42Å; S52-I56 PolarHBondContact O-N 3Å; L53-I56 HydrophobicContact CD2-CD1 4.43Å; L53-I56 PolarHBondContact O-N 3.25Å; I56-L58 VanDerWaalsContact C-N 3.34Å; I56-L58 PolarHBondContact O-N 3.49Å; I56-V59 PolarHBondContact O-N 3.15Å; I56-I60 HydrophobicContact CG2-CD1 3.97Å; I56-I60 WeakPolarHBondContact O-CG1 3.36Å; I56-I60 PolarHBondContact O-N 2.97Å |
| 57 | A | 97 | Very high | 95.1 | Very high | 23 Ų | 23 | 55.4 Ų | 55.4 | 19% | 0.19 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L53 S54 A55 I60 S61 W317 | L53-A57 WeakPolarHBondContact O-CB 3.5Å; L53-A57 PolarHBondContact O-N 3.35Å; S54-A57 PolarHBondContact O-N 3.28Å; A55-A57 VanDerWaalsContact C-N 3.34Å; A57-I60 PolarHBondContact O-N 3.01Å; A57-S61 PolarHBondContact O-N 3.45Å; A57-W317 HydrophobicContact CB-CD2 4.37Å; A57-W317 HydrophobicContact CB-CE3 3.69Å; A57-W317 HydrophobicContact CB-CH2 3.53Å; A57-W317 HydrophobicContact CB-CZ2 4.2Å; A57-W317 HydrophobicContact CB-CZ3 3.23Å |
| 58 | L | 97.7 | Very high | 94.8 | Very high | 30 Ų | 30 | 57.9 Ų | 57.9 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.1 | -49.9 | 170.1 | 175.7 | 65.8 | 0 | 0 | 0 | 111.1 | S54 A55 I56 I60 S61 L62 L313 F314 W317 | S54-L58 WeakPolarHBondContact O-CB 3.35Å; S54-L58 PolarHBondContact O-N 3.45Å; A55-L58 WeakPolarHBondContact O-CB 3.45Å; A55-L58 PolarHBondContact O-N 2.97Å; I56-L58 VanDerWaalsContact C-N 3.34Å; I56-L58 PolarHBondContact O-N 3.49Å; L58-I60 VanDerWaalsContact C-N 3.27Å; L58-I60 PolarHBondContact O-N 2.9Å; L58-S61 CarbonylContact O-C 3.15Å; L58-S61 WeakPolarHBondContact O-CA 3.42Å; L58-S61 WeakPolarHBondContact O-CB 3.5Å; L58-S61 PolarHBondContact O-N 3.42Å; L58-S61 VanDerWaalsContact O-N 3.08Å; L58-L62 HydrophobicContact CD1-CD2 4.46Å; L58-L62 HydrophobicContact CD1-CG 4.43Å; L58-L62 HydrophobicContact CG-CD1 4.49Å; L58-L62 HydrophobicContact CG-CG 4.46Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.39Å; L58-L62 PolarHBondContact O-N 3.29Å; L58-L313 HydrophobicContact CD1-CG 4.3Å; L58-F314 HydrophobicContact CD1-CD1 3.97Å; L58-F314 HydrophobicContact CD1-CE1 4.13Å; L58-F314 HydrophobicContact CD2-CD1 3.77Å; L58-F314 HydrophobicContact CD2-CE1 3.99Å; L58-F314 HydrophobicContact CG-CD1 4.44Å; L58-F314 HydrophobicContact CG-CE1 4.46Å; L58-W317 HydrophobicContact CB-CB 3.82Å; L58-W317 HydrophobicContact CB-CD2 4.44Å; L58-W317 HydrophobicContact CB-CG 3.83Å; L58-W317 HydrophobicContact CD1-CB 4.04Å; L58-W317 VanDerWaalsContact CD1-CD1 3.47Å; L58-W317 HydrophobicContact CD1-CG 3.95Å; L58-W317 HydrophobicContact CG-CB 4.33Å; L58-W317 HydrophobicContact CG-CG 4.45Å |
| 59 | V | 98 | Very high | 94.3 | Very high | 78 Ų | 78 | 55.7 Ų | 55.7 | 47% | 0.473 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.8 | -41.8 | 177.6 | 171.1 | 0 | 0 | 0 | 0 | 111.1 | A55 I56 L62 L63 | A55-V59 WeakPolarHBondContact O-CG2 3.41Å; A55-V59 PolarHBondContact O-N 3.35Å; I56-V59 PolarHBondContact O-N 3.15Å; V59-L62 WeakPolarHBondContact O-CB 3.32Å; V59-L62 PolarHBondContact O-N 3.26Å; V59-L63 HydrophobicContact CG1-CD1 4.17Å; V59-L63 HydrophobicContact CG1-CG 4.42Å; V59-L63 VanDerWaalsContact O-CG 3.32Å; V59-L63 WeakPolarHBondContact O-CG 3.37Å; V59-L63 PolarHBondContact O-N 3.19Å |
| 60 | I | 97.5 | Very high | 93.8 | Very high | 96 Ų | 96 | 58.3 Ų | 58.3 | 49% | 0.492 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -61.4 | -46.8 | 174.8 | -67.2 | 166.4 | 0 | 0 | 0 | 110.5 | I56 A57 L58 L62 L63 V64 | I56-I60 HydrophobicContact CG2-CD1 3.97Å; I56-I60 WeakPolarHBondContact O-CG1 3.36Å; I56-I60 PolarHBondContact O-N 2.97Å; A57-I60 PolarHBondContact O-N 3.01Å; L58-I60 VanDerWaalsContact C-N 3.27Å; L58-I60 PolarHBondContact O-N 2.9Å; I60-L62 VanDerWaalsContact C-N 3.31Å; I60-L62 PolarHBondContact O-N 2.91Å; I60-L63 PolarHBondContact O-N 2.9Å; I60-V64 HydrophobicContact CG2-CG2 4.42Å; I60-V64 WeakPolarHBondContact O-CG2 3.49Å; I60-V64 PolarHBondContact O-N 3.11Å |
| 61 | S | 96.6 | Very high | 93.3 | Very high | 7 Ų | 7 | 62.6 Ų | 62.6 | 5% | 0.049 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -56.5 | -43.6 | 174 | -80.2 | 0 | 0 | 0 | 0 | 112.2 | A57 L58 V64 V65 W317 T466 | A57-S61 PolarHBondContact O-N 3.45Å; L58-S61 CarbonylContact O-C 3.15Å; L58-S61 WeakPolarHBondContact O-CA 3.42Å; L58-S61 WeakPolarHBondContact O-CB 3.5Å; L58-S61 PolarHBondContact O-N 3.42Å; L58-S61 VanDerWaalsContact O-N 3.08Å; S61-V64 PolarHBondContact O-N 3.31Å; S61-V65 WeakPolarHBondContact O-CG2 3.27Å; S61-V65 PolarHBondContact O-N 3Å; S61-W317 PolarHBondContact OG-NE1 3.18Å; S61-T466 WeakPolarHBondContact CB-OG1 3.39Å; S61-T466 PolarHBondContact OG-OG1 3.31Å |
| 62 | L | 96.9 | Very high | 92.3 | Very high | 52 Ų | 52 | 64 Ų | 64 | 27% | 0.272 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 176.4 | -63.4 | -177.1 | 0 | 0 | 0 | 111.8 | L58 V59 I60 V64 V65 L66 W310 L313 F314 | L58-L62 HydrophobicContact CD1-CD2 4.46Å; L58-L62 HydrophobicContact CD1-CG 4.43Å; L58-L62 HydrophobicContact CG-CD1 4.49Å; L58-L62 HydrophobicContact CG-CG 4.46Å; L58-L62 VanDerWaalsContact O-CG 3.31Å; L58-L62 WeakPolarHBondContact O-CG 3.39Å; L58-L62 PolarHBondContact O-N 3.29Å; V59-L62 WeakPolarHBondContact O-CB 3.32Å; V59-L62 PolarHBondContact O-N 3.26Å; I60-L62 VanDerWaalsContact C-N 3.31Å; I60-L62 PolarHBondContact O-N 2.91Å; L62-V64 VanDerWaalsContact C-N 3.35Å; L62-V65 PolarHBondContact O-N 3.3Å; L62-L66 VanDerWaalsContact O-CB 3.27Å; L62-L66 WeakPolarHBondContact O-CB 3.5Å; L62-L66 PolarHBondContact O-N 2.84Å; L62-W310 HydrophobicContact CD2-CE3 4.44Å; L62-W310 HydrophobicContact CD2-CH2 3.85Å; L62-W310 HydrophobicContact CD2-CZ3 3.32Å; L62-L313 HydrophobicContact CD2-CD2 4.46Å; L62-F314 HydrophobicContact CD1-CE1 4.49Å; L62-F314 HydrophobicContact CD2-CE1 4.42Å; L62-F314 HydrophobicContact CD2-CZ 4.1Å |
| 63 | L | 96.6 | Very high | 91.2 | Very high | 103 Ų | 103 | 64.9 Ų | 64.9 | 54% | 0.539 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | 178 | -70.6 | 174.9 | 0 | 0 | 0 | 111.8 | V59 I60 L66 S67 | V59-L63 HydrophobicContact CG1-CD1 4.17Å; V59-L63 HydrophobicContact CG1-CG 4.42Å; V59-L63 VanDerWaalsContact O-CG 3.32Å; V59-L63 WeakPolarHBondContact O-CG 3.37Å; V59-L63 PolarHBondContact O-N 3.19Å; I60-L63 PolarHBondContact O-N 2.9Å; L63-L66 PolarHBondContact O-N 2.97Å; L63-S67 VanDerWaalsContact O-CB 3.25Å; L63-S67 WeakPolarHBondContact O-CB 3.3Å; L63-S67 PolarHBondContact O-N 3.45Å |
| 64 | V | 94.8 | Very high | 90.2 | Very high | 75 Ų | 75 | 63.9 Ų | 63.9 | 46% | 0.455 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -62.5 | -49 | 174.6 | 170 | 0 | 0 | 0 | 0 | 110.5 | I60 S61 L62 L66 S67 F68 T466 | I60-V64 HydrophobicContact CG2-CG2 4.42Å; I60-V64 WeakPolarHBondContact O-CG2 3.49Å; I60-V64 PolarHBondContact O-N 3.11Å; S61-V64 PolarHBondContact O-N 3.31Å; L62-V64 VanDerWaalsContact C-N 3.35Å; V64-L66 PolarHBondContact O-N 3.27Å; V64-S67 PolarHBondContact O-N 3.31Å; V64-F68 WeakPolarHBondContact O-CB 3.42Å; V64-F68 PolarHBondContact O-N 3.35Å; V64-T466 HydrophobicContact CG1-CG2 4.34Å |
| 65 | V | 93.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.012 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.4 | -45.6 | 177.4 | 173.8 | 0 | 0 | 0 | 0 | 110.8 | S61 L62 F68 L69 W310 T466 L469 | S61-V65 WeakPolarHBondContact O-CG2 3.27Å; S61-V65 PolarHBondContact O-N 3Å; L62-V65 PolarHBondContact O-N 3.3Å; V65-F68 PolarHBondContact O-N 3.08Å; V65-L69 HydrophobicContact CG1-CD1 3.9Å; V65-L69 HydrophobicContact CG1-CG 4.31Å; V65-L69 WeakPolarHBondContact O-CB 3.47Å; V65-L69 VanDerWaalsContact O-CG 3.26Å; V65-L69 WeakPolarHBondContact O-CG 3.31Å; V65-L69 PolarHBondContact O-N 2.98Å; V65-W310 HydrophobicContact CB-CH2 4.35Å; V65-W310 HydrophobicContact CG1-CH2 3.86Å; V65-W310 HydrophobicContact CG1-CZ2 3.7Å; V65-T466 HydrophobicContact CG2-CG2 4Å; V65-L469 HydrophobicContact CG1-CB 4.28Å; V65-L469 HydrophobicContact CG2-CB 4.08Å |
| 66 | L | 91.8 | Very high | 86.7 | Confident | 97 Ų | 97 | 69.1 Ų | 69.1 | 51% | 0.508 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60.5 | -48.9 | 177.7 | -173.2 | 88.7 | 0 | 0 | 0 | 111.4 | L62 L63 V64 F68 L69 I70 | L62-L66 VanDerWaalsContact O-CB 3.27Å; L62-L66 WeakPolarHBondContact O-CB 3.5Å; L62-L66 PolarHBondContact O-N 2.84Å; L63-L66 PolarHBondContact O-N 2.97Å; V64-L66 PolarHBondContact O-N 3.27Å; L66-F68 VanDerWaalsContact C-N 3.28Å; L66-F68 PolarHBondContact O-N 3.46Å; L66-L69 PolarHBondContact O-N 3.42Å; L66-I70 HydrophobicContact CD2-CD1 4.03Å; L66-I70 HydrophobicContact CG-CD1 3.84Å; L66-I70 HydrophobicContact CG-CG1 4.47Å; L66-I70 VanDerWaalsContact O-CG1 3.29Å; L66-I70 WeakPolarHBondContact O-CG1 3.47Å; L66-I70 PolarHBondContact O-N 3.06Å |
| 67 | S | 89.1 | Confident | 84.3 | Confident | 77 Ų | 77 | 74.3 Ų | 74.3 | 54% | 0.538 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 178.5 | -176 | 0 | 0 | 0 | 0 | 111.2 | L63 V64 H71 | L63-S67 VanDerWaalsContact O-CB 3.25Å; L63-S67 WeakPolarHBondContact O-CB 3.3Å; L63-S67 PolarHBondContact O-N 3.45Å; V64-S67 PolarHBondContact O-N 3.31Å; S67-H71 WeakPolarHBondContact O-CB 3.43Å; S67-H71 PolarHBondContact O-N 2.99Å |
| 68 | F | 86.8 | Confident | 81.6 | Confident | 74 Ų | 74 | 74.7 Ų | 74.7 | 33% | 0.325 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.2 | -45.8 | 176.9 | -169.3 | -83.7 | 0 | 0 | 0 | 111.3 | V64 V65 L66 I70 H71 Y72 C470 | V64-F68 WeakPolarHBondContact O-CB 3.42Å; V64-F68 PolarHBondContact O-N 3.35Å; V65-F68 PolarHBondContact O-N 3.08Å; L66-F68 VanDerWaalsContact C-N 3.28Å; L66-F68 PolarHBondContact O-N 3.46Å; F68-I70 PolarHBondContact O-N 3.24Å; F68-H71 PolarHBondContact O-N 3.2Å; F68-Y72 HydrophobicContact CE1-CD2 4.45Å; F68-Y72 VanDerWaalsContact O-CB 3.24Å; F68-Y72 WeakPolarHBondContact O-CB 3.46Å; F68-Y72 PolarHBondContact O-N 2.8Å; F68-C470 HydrophobicContact CB-CB 4.31Å; F68-C470 HydrophobicContact CD1-CB 3.97Å; F68-C470 WeakPolarHBondContact CD1-O 3.39Å; F68-C470 HydrophobicContact CD2-CB 4.15Å; F68-C470 HydrophobicContact CE1-CB 4.39Å; F68-C470 WeakPolarHBondContact CE1-O 3.46Å; F68-C470 HydrophobicContact CG-CB 3.86Å |
| 69 | L | 83.8 | Confident | 79.2 | Confident | 57 Ų | 57 | 79 Ų | 79 | 30% | 0.298 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 176.8 | -71.5 | 174.4 | 0 | 0 | 0 | 112.1 | V65 L66 C73 P473 | V65-L69 HydrophobicContact CG1-CD1 3.9Å; V65-L69 HydrophobicContact CG1-CG 4.31Å; V65-L69 WeakPolarHBondContact O-CB 3.47Å; V65-L69 VanDerWaalsContact O-CG 3.26Å; V65-L69 WeakPolarHBondContact O-CG 3.31Å; V65-L69 PolarHBondContact O-N 2.98Å; L66-L69 PolarHBondContact O-N 3.42Å; L69-C73 WeakPolarHBondContact O-CB 3.44Å; L69-C73 PolarHBondContact O-N 2.9Å; L69-C73 PolarHBondContact O-SG 3.44Å; L69-P473 HydrophobicContact CD2-CB 4.11Å; L69-P473 HydrophobicContact CD2-CG 3.45Å; L69-P473 VanDerWaalsContact CD2-CG 3.45Å |
| 70 | I | 84.3 | Confident | 76.5 | Confident | 91 Ų | 91 | 85.9 Ų | 85.9 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.9 | -49.5 | 176.4 | -68.3 | 168.5 | 0 | 0 | 0 | 110.2 | L66 F68 Y72 C73 C74 | L66-I70 HydrophobicContact CD2-CD1 4.03Å; L66-I70 HydrophobicContact CG-CD1 3.84Å; L66-I70 HydrophobicContact CG-CG1 4.47Å; L66-I70 VanDerWaalsContact O-CG1 3.29Å; L66-I70 WeakPolarHBondContact O-CG1 3.47Å; L66-I70 PolarHBondContact O-N 3.06Å; F68-I70 PolarHBondContact O-N 3.24Å; I70-Y72 VanDerWaalsContact C-N 3.3Å; I70-Y72 PolarHBondContact O-N 3.32Å; I70-C73 PolarHBondContact O-N 3.32Å; I70-C74 VanDerWaalsContact O-CB 3.22Å; I70-C74 WeakPolarHBondContact O-CB 3.37Å; I70-C74 PolarHBondContact O-N 3.38Å; I70-C74 PolarHBondContact O-SG 2.92Å; I70-C74 VanDerWaalsContact O-SG 3.4Å |
| 71 | H | 81.2 | Confident | 73.6 | Confident | 119 Ų | 119 | 85.8 Ų | 85.8 | 55% | 0.551 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -57.9 | -45.3 | 178.3 | -175.8 | 67.8 | 0 | 0 | 0 | 111.1 | S67 F68 C75 | S67-H71 WeakPolarHBondContact O-CB 3.43Å; S67-H71 PolarHBondContact O-N 2.99Å; F68-H71 PolarHBondContact O-N 3.2Å; H71-C75 PolarHBondContact CE1-SG 3.44Å; H71-C75 PolarHBondContact ND1-SG 3.42Å; H71-C75 VanDerWaalsContact ND1-SG 3.36Å; H71-C75 VanDerWaalsContact O-CB 3.22Å; H71-C75 WeakPolarHBondContact O-CB 3.36Å; H71-C75 PolarHBondContact O-N 3.39Å |
| 72 | Y | 73.2 | Confident | 70.8 | Confident | 56 Ų | 56 | 93.8 Ų | 93.8 | 22% | 0.22 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -66.2 | -42 | 178.9 | -164.1 | -96.3 | 0 | 0 | 0 | 112.6 | F68 I70 H76 P473 G474 | F68-Y72 HydrophobicContact CE1-CD2 4.45Å; F68-Y72 VanDerWaalsContact O-CB 3.24Å; F68-Y72 WeakPolarHBondContact O-CB 3.46Å; F68-Y72 PolarHBondContact O-N 2.8Å; I70-Y72 VanDerWaalsContact C-N 3.3Å; I70-Y72 PolarHBondContact O-N 3.32Å; Y72-H76 VanDerWaalsContact O-CB 3.29Å; Y72-H76 WeakPolarHBondContact O-CB 3.3Å; Y72-H76 PolarHBondContact O-N 3.38Å; Y72-P473 HydrophobicContact CD1-CB 4.48Å; Y72-G474 WeakPolarHBondContact OH-CA 3.2Å |
| 73 | C | 73.5 | Confident | 68.1 | Low | 66 Ų | 66 | 94.8 Ų | 94.8 | 45% | 0.446 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -71.1 | -37.5 | 177.7 | -74.8 | 0 | 0 | 0 | 0 | 113.3 | L69 I70 R77 | L69-C73 WeakPolarHBondContact O-CB 3.44Å; L69-C73 PolarHBondContact O-N 2.9Å; L69-C73 PolarHBondContact O-SG 3.44Å; I70-C73 PolarHBondContact O-N 3.32Å; C73-R77 WeakPolarHBondContact O-CB 3.3Å |
| 74 | C | 72.8 | Confident | 65.2 | Low | 83 Ų | 83 | 94.1 Ų | 94.1 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -85.4 | -43.7 | -175.4 | -69.1 | 0 | 0 | 0 | 0 | 112.9 | I70 | I70-C74 VanDerWaalsContact O-CB 3.22Å; I70-C74 WeakPolarHBondContact O-CB 3.37Å; I70-C74 PolarHBondContact O-N 3.38Å; I70-C74 PolarHBondContact O-SG 2.92Å; I70-C74 VanDerWaalsContact O-SG 3.4Å |
| 75 | C | 62.6 | Low | 62.5 | Low | 75 Ų | 75 | 98.9 Ų | 98.9 | 51% | 0.507 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -74 | -27.8 | -178.5 | -67.5 | 0 | 0 | 0 | 0 | 112.8 | H71 | H71-C75 PolarHBondContact CE1-SG 3.44Å; H71-C75 PolarHBondContact ND1-SG 3.42Å; H71-C75 VanDerWaalsContact ND1-SG 3.36Å; H71-C75 VanDerWaalsContact O-CB 3.22Å; H71-C75 WeakPolarHBondContact O-CB 3.36Å; H71-C75 PolarHBondContact O-N 3.39Å |
| 76 | H | 56.4 | Low | 59.8 | Low | 97 Ų | 97 | 107.8 Ų | 107.8 | 45% | 0.449 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -88.3 | -14.9 | 178.2 | -157.5 | 53.6 | 0 | 0 | 0 | 113.9 | Y72 G78 D79 | Y72-H76 VanDerWaalsContact O-CB 3.29Å; Y72-H76 WeakPolarHBondContact O-CB 3.3Å; Y72-H76 PolarHBondContact O-N 3.38Å; H76-G78 VanDerWaalsContact C-N 3.29Å; H76-D79 IonicContact ND1-OD2 3.71Å |
| 77 | R | 47 | Very low | 57.1 | Low | 203 Ų | 203 | 112.8 Ų | 112.8 | 77% | 0.766 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -71.2 | -25.1 | 169.7 | -125 | 171 | 77.2 | 117.7 | 0 | 112.4 | C73 S81 | C73-R77 WeakPolarHBondContact O-CB 3.3Å; R77-S81 PolarHBondContact O-N 3.28Å |
| 78 | G | 40.6 | Very low | 54.5 | Low | 31 Ų | 31 | 116.5 Ų | 116.5 | 32% | 0.32 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -63.8 | -49 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H76 R80 S81 E82 | H76-G78 VanDerWaalsContact C-N 3.29Å; G78-R80 PolarHBondContact O-N 3.49Å; G78-R80 VanDerWaalsContact O-N 3.07Å; G78-S81 PolarHBondContact O-N 2.93Å; G78-S81 VanDerWaalsContact O-N 3.12Å; G78-E82 PolarHBondContact O-N 3.34Å |
| 79 | D | 46.3 | Very low | 51.9 | Low | 121 Ų | 121 | 120 Ų | 120 | 65% | 0.647 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -19.6 | 178.8 | -80.7 | -19.5 | 0 | 0 | 0 | 114.4 | H76 | H76-D79 IonicContact ND1-OD2 3.71Š|
| 80 | R | 42.6 | Very low | 49.6 | Very low | 222 Ų | 222 | 124.1 Ų | 124.1 | 84% | 0.838 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -11.4 | -178.6 | -136.2 | 177.4 | 142.3 | 147.4 | -1 | 113.4 | G78 | G78-R80 PolarHBondContact O-N 3.49Å; G78-R80 VanDerWaalsContact O-N 3.07Å |
| 81 | S | 35.6 | Very low | 47.4 | Very low | 94 Ų | 94 | 128 Ų | 128 | 66% | 0.657 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.7 | -18.9 | -178.6 | -133.5 | 0 | 0 | 0 | 0 | 113.3 | R77 G78 G83 | R77-S81 PolarHBondContact O-N 3.28Å; G78-S81 PolarHBondContact O-N 2.93Å; G78-S81 VanDerWaalsContact O-N 3.12Å; S81-G83 VanDerWaalsContact C-N 3.3Å |
| 82 | E | 38.2 | Very low | 45.1 | Very low | 175 Ų | 175 | 129.5 Ų | 129.5 | 82% | 0.818 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | 15.9 | 174.6 | -83 | 179.3 | 127.7 | 0 | 0 | 113.7 | G78 | G78-E82 PolarHBondContact O-N 3.34Š|
| 83 | G | 39.2 | Very low | 43.2 | Very low | 72 Ų | 72 | 130.5 Ų | 130.5 | 74% | 0.742 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 17.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115 | S81 | S81-G83 VanDerWaalsContact C-N 3.3Š|
| 84 | S | 36.8 | Very low | 41.2 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 62% | 0.622 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -133 | 10.9 | -173.3 | 56.9 | 0 | 0 | 0 | 0 | 115.9 | ||
| 85 | E | 37.6 | Very low | 39.5 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -144.9 | 133 | 171 | -62.1 | -177 | -175.2 | 0 | 0 | 107.4 | ||
| 86 | E | 37.2 | Very low | 38 | Very low | 190 Ų | 190 | 135.5 Ų | 135.5 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | trans | 92.9 | 91.8 | -176.8 | -52.8 | -177.6 | -169.6 | 0 | 0 | 115.7 | ||||
| 87 | E | 34 | Very low | 37.1 | Very low | 201 Ų | 201 | 141 Ų | 141 | 94% | 0.939 | 77% | 0.774 | S | S | * | * | trans | -167.1 | 70.3 | 137.9 | -102.4 | 173.8 | -144.5 | 0 | 0 | 108.5 | ||||
| 88 | D | 34.3 | Very low | 36.4 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | trans | -107.3 | 143.2 | 151.4 | -81.3 | -39.6 | 0 | 0 | 0 | 106.7 | ||||
| 89 | D | 33.4 | Very low | 36.2 | Very low | 146 Ų | 146 | 144 Ų | 144 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | 93.3 | 101.2 | 169.5 | -56.2 | -23.5 | 0 | 0 | 0 | 119.8 | ||||
| 90 | D | 34.9 | Very low | 35.9 | Very low | 145 Ų | 145 | 144.7 Ų | 144.7 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | 72.6 | 115.3 | 128 | -59.1 | -23.6 | 0 | 0 | 0 | 124.5 | |||||
| 91 | E | 37.7 | Very low | 35.6 | Very low | 171 Ų | 171 | 136.9 Ų | 136.9 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | trans | 56.2 | 132.1 | 133.1 | -78.9 | -173.1 | 162.2 | 0 | 0 | 124.6 | ||||
| 92 | D | 33.6 | Very low | 35.9 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | 84 | 120.4 | 144.1 | -71.9 | -13.6 | 0 | 0 | 0 | 122.6 | ||||
| 93 | G | 32 | Very low | 36.1 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | trans | 119.2 | 91.9 | 134.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 94 | S | 32.9 | Very low | 36.1 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | 30 | 128.9 | 143.7 | -79.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 95 | T | 36.7 | Very low | 36.4 | Very low | 142 Ų | 142 | 147.9 Ų | 147.9 | 87% | 0.871 | 81% | 0.811 | S | S | * | * | trans | 66.7 | 107.5 | 143.3 | 57.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 96 | G | 30.6 | Very low | 37 | Very low | 76 Ų | 76 | 141.6 Ų | 141.6 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -170.1 | 97.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G98 | G96-G98 PolarHBondContact O-N 2.95Š| ||
| 97 | H | 37.9 | Very low | 37.9 | Very low | 212 Ų | 212 | 137.2 Ų | 137.2 | 98% | 0.981 | 78% | 0.775 | S | S | * | * | trans | -54.8 | 124.3 | 167.3 | -129.3 | -72.1 | 0 | 0 | 0 | 110 | ||||
| 98 | G | 31.6 | Very low | 39.2 | Very low | 59 Ų | 59 | 130.7 Ų | 130.7 | 61% | 0.608 | 75% | 0.752 | S | S | * | * | trans | -168.9 | 87.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | G96 | G96-G98 PolarHBondContact O-N 2.95Š| ||
| 99 | Y | 37.6 | Very low | 40.8 | Very low | 239 Ų | 239 | 127 Ų | 127 | 94% | 0.937 | 74% | 0.737 | S | S | * | * | trans | 44.9 | 71.4 | 148.2 | -74.1 | -88.7 | 0 | 0 | 0 | 119.7 | G101 | Y99-G101 PolarHBondContact O-N 3.32Š| ||
| 100 | S | 38.5 | Very low | 42.6 | Very low | 135 Ų | 135 | 121.8 Ų | 121.8 | 94% | 0.944 | 71% | 0.71 | S | S | * | * | trans | -88.4 | 96 | 151 | -174.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 101 | G | 38.3 | Very low | 44.5 | Very low | 59 Ų | 59 | 117.2 Ų | 117.2 | 61% | 0.608 | 69% | 0.688 | S | S | * | * | trans | -158.1 | 10.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 117 | Y99 | Y99-G101 PolarHBondContact O-N 3.32Š| ||
| 102 | K | 40.1 | Very low | 46.7 | Very low | 198 Ų | 198 | 117.2 Ų | 117.2 | 86% | 0.861 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -102.8 | -23.4 | -179.2 | -81.5 | -178.9 | 175.4 | 176.8 | 0 | 115 | G104 | K102-G104 PolarHBondContact O-N 2.95Š|
| 103 | K | 42.3 | Very low | 49.2 | Very low | 201 Ų | 201 | 113.7 Ų | 113.7 | 87% | 0.874 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -26.9 | -176.7 | -94.8 | 176.5 | 172.8 | 174 | 0 | 114.6 | ||
| 104 | G | 41 | Very low | 51.7 | Low | 57 Ų | 57 | 110.2 Ų | 110.2 | 59% | 0.588 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -13.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | K102 | K102-G104 PolarHBondContact O-N 2.95Š|
| 105 | R | 43 | Very low | 54.4 | Low | 204 Ų | 204 | 107.5 Ų | 107.5 | 77% | 0.77 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -84.4 | -30.6 | -170.3 | -155.9 | 170.1 | 176.9 | 173.1 | -2.3 | 113.3 | C109 | R105-C109 PolarHBondContact O-SG 3.29Å; R105-C109 VanDerWaalsContact O-SG 3.37Å |
| 106 | G | 50.3 | Low | 57 | Low | 44 Ų | 44 | 103.3 Ų | 103.3 | 45% | 0.454 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.5 | -34.3 | 179 | 0 | 0 | 0 | 0 | 0 | 114.3 | C109 V110 | G106-C109 PolarHBondContact O-N 3.29Å; G106-V110 PolarHBondContact O-N 3.22Å |
| 107 | I | 55.8 | Low | 60 | Low | 97 Ų | 97 | 100 Ų | 100 | 50% | 0.497 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -70.2 | -34.7 | -177.2 | -63.1 | 157.8 | 0 | 0 | 0 | 111.5 | T111 | I107-T111 PolarHBondContact O-OG1 3.36Å |
| 108 | C | 60.4 | Low | 62.7 | Low | 65 Ų | 65 | 90 Ų | 90 | 44% | 0.439 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.4 | -44 | 175.4 | -156.7 | 0 | 0 | 0 | 0 | 110.5 | V110 T111 W112 | C108-V110 PolarHBondContact O-N 3.18Å; C108-T111 PolarHBondContact O-N 3.43Å; C108-T111 PolarHBondContact O-OG1 3.41Å; C108-W112 PolarHBondContact O-N 2.92Å; C108-W112 VanDerWaalsContact O-N 3.15Å; C108-W112 VanDerWaalsContact SG-CD1 3.54Å; C108-W112 PolarHBondContact SG-NE1 2.72Å |
| 109 | C | 68.5 | Low | 65.7 | Low | 77 Ų | 77 | 91 Ų | 91 | 52% | 0.52 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | -178.3 | -66.5 | 0 | 0 | 0 | 0 | 113.8 | R105 G106 V113 | R105-C109 PolarHBondContact O-SG 3.29Å; R105-C109 VanDerWaalsContact O-SG 3.37Å; G106-C109 PolarHBondContact O-N 3.29Å; C109-V113 VanDerWaalsContact O-CG2 3.27Å; C109-V113 WeakPolarHBondContact O-CG2 3.08Å; C109-V113 PolarHBondContact O-N 3Å; C109-V113 VanDerWaalsContact O-N 3.1Å |
| 110 | V | 70.7 | Confident | 68.5 | Low | 38 Ų | 38 | 82.8 Ų | 82.8 | 23% | 0.23 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -69.3 | -39.9 | -177.7 | 176.3 | 0 | 0 | 0 | 0 | 112 | G106 C108 V113 A114 S471 | G106-V110 PolarHBondContact O-N 3.22Å; C108-V110 PolarHBondContact O-N 3.18Å; V110-V113 PolarHBondContact O-N 3.24Å; V110-A114 PolarHBondContact O-N 2.79Å; V110-A114 VanDerWaalsContact O-N 3.1Å; V110-S471 WeakPolarHBondContact CG1-O 3.37Å |
| 111 | T | 75.5 | Confident | 71.3 | Confident | 49 Ų | 49 | 76.3 Ų | 76.3 | 30% | 0.301 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.1 | -39.8 | 177.8 | 47 | 0 | 0 | 0 | 0 | 112 | I107 C108 V113 A114 V115 | I107-T111 PolarHBondContact O-OG1 3.36Å; C108-T111 PolarHBondContact O-N 3.43Å; C108-T111 PolarHBondContact O-OG1 3.41Å; T111-V113 PolarHBondContact O-N 2.06Å; T111-A114 PolarHBondContact O-N 3.34Å; T111-V115 WeakPolarHBondContact O-CG2 3.46Å; T111-V115 PolarHBondContact O-N 3.18Å |
| 112 | W | 82.4 | Confident | 74.1 | Confident | 171 Ų | 171 | 76.4 Ų | 76.4 | 65% | 0.648 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -65.6 | -34.5 | 173.7 | -75.3 | 114.6 | 0 | 0 | 0 | 113.4 | C108 V115 A116 | C108-W112 PolarHBondContact O-N 2.92Å; C108-W112 VanDerWaalsContact O-N 3.15Å; C108-W112 VanDerWaalsContact SG-CD1 3.54Å; C108-W112 PolarHBondContact SG-NE1 2.72Å; W112-V115 PolarHBondContact O-N 2.8Å; W112-A116 VanDerWaalsContact O-CB 3.3Å; W112-A116 WeakPolarHBondContact O-CB 3.14Å; W112-A116 PolarHBondContact O-N 3.22Å |
| 113 | V | 86.3 | Confident | 76.9 | Confident | 78 Ų | 78 | 71.1 Ų | 71.1 | 47% | 0.473 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.9 | -42.2 | 173.9 | 170.9 | 0 | 0 | 0 | 0 | 111 | C109 V110 T111 A116 A117 | C109-V113 VanDerWaalsContact O-CG2 3.27Å; C109-V113 WeakPolarHBondContact O-CG2 3.08Å; C109-V113 PolarHBondContact O-N 3Å; C109-V113 VanDerWaalsContact O-N 3.1Å; V110-V113 PolarHBondContact O-N 3.24Å; T111-V113 PolarHBondContact O-N 2.06Å; V113-A116 PolarHBondContact O-N 3.19Å; V113-A117 WeakPolarHBondContact O-CB 3.13Å; V113-A117 PolarHBondContact O-N 3.48Å |
| 114 | A | 86.1 | Confident | 79.5 | Confident | 3 Ų | 3 | 61.6 Ų | 61.6 | 3% | 0.025 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -62.1 | -45.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V110 T111 A117 V118 L294 S471 | V110-A114 PolarHBondContact O-N 2.79Å; V110-A114 VanDerWaalsContact O-N 3.1Å; T111-A114 PolarHBondContact O-N 3.34Å; A114-A117 PolarHBondContact O-N 3.24Å; A114-V118 WeakPolarHBondContact O-CG2 3.48Å; A114-V118 PolarHBondContact O-N 3.37Å; A114-L294 HydrophobicContact CB-CD1 4.13Å; A114-S471 WeakPolarHBondContact CA-OG 3.29Å; A114-S471 WeakPolarHBondContact CB-OG 3.29Å |
| 115 | V | 88.1 | Confident | 82.3 | Confident | 54 Ų | 54 | 59.3 Ų | 59.3 | 33% | 0.327 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.7 | -46.7 | 176.3 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | T111 W112 A117 V118 T119 | T111-V115 WeakPolarHBondContact O-CG2 3.46Å; T111-V115 PolarHBondContact O-N 3.18Å; W112-V115 PolarHBondContact O-N 2.8Å; V115-A117 VanDerWaalsContact C-N 3.33Å; V115-A117 PolarHBondContact O-N 2.96Å; V115-V118 PolarHBondContact O-N 3.48Å; V115-T119 HydrophobicContact CG1-CG2 4.49Å; V115-T119 WeakPolarHBondContact O-CG2 3.25Å; V115-T119 PolarHBondContact O-N 3.43Å; V115-T119 PolarHBondContact O-OG1 3.18Å |
| 116 | A | 92.1 | Very high | 84.9 | Confident | 53 Ų | 53 | 51.7 Ų | 51.7 | 44% | 0.438 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60 | -43 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | W112 V113 T119 L120 | W112-A116 VanDerWaalsContact O-CB 3.3Å; W112-A116 WeakPolarHBondContact O-CB 3.14Å; W112-A116 PolarHBondContact O-N 3.22Å; V113-A116 PolarHBondContact O-N 3.19Å; A116-T119 WeakPolarHBondContact CA-OG1 3.44Å; A116-T119 PolarHBondContact O-N 2.93Å; A116-T119 PolarHBondContact O-OG1 3.31Å; A116-L120 PolarHBondContact O-N 3.29Å |
| 117 | A | 94.3 | Very high | 87.2 | Confident | 7 Ų | 7 | 51.4 Ų | 51.4 | 6% | 0.058 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | V113 A114 V115 L120 C121 A467 I468 | V113-A117 WeakPolarHBondContact O-CB 3.13Å; V113-A117 PolarHBondContact O-N 3.48Å; A114-A117 PolarHBondContact O-N 3.24Å; V115-A117 VanDerWaalsContact C-N 3.33Å; V115-A117 PolarHBondContact O-N 2.96Å; A117-L120 PolarHBondContact O-N 3.42Å; A117-C121 PolarHBondContact O-N 2.94Å; A117-A467 HydrophobicContact CB-CB 3.73Å; A117-I468 HydrophobicContact CB-CG1 3.74Å |
| 118 | V | 94.3 | Very high | 89.2 | Confident | 1 Ų | 1 | 46.8 Ų | 46.8 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.3 | -42.1 | 173.6 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | A114 V115 L120 C121 C122 C287 I290 L291 I468 | A114-V118 WeakPolarHBondContact O-CG2 3.48Å; A114-V118 PolarHBondContact O-N 3.37Å; V115-V118 PolarHBondContact O-N 3.48Å; V118-L120 VanDerWaalsContact C-N 3.31Å; V118-L120 PolarHBondContact O-N 3.06Å; V118-C121 WeakPolarHBondContact O-CB 3.4Å; V118-C121 PolarHBondContact O-N 3.17Å; V118-C121 VanDerWaalsContact O-N 3.14Å; V118-C122 PolarHBondContact O-N 3.5Å; V118-C122 PolarHBondContact O-SG 2.97Å; V118-C287 HydrophobicContact CG1-CB 3.88Å; V118-I290 HydrophobicContact CG2-CG2 4.11Å; V118-L291 HydrophobicContact CB-CD2 4.21Å; V118-L291 HydrophobicContact CB-CG 4.46Å; V118-L291 HydrophobicContact CG1-CD1 3.69Å; V118-L291 HydrophobicContact CG1-CD2 4Å; V118-L291 HydrophobicContact CG1-CG 3.78Å; V118-L291 HydrophobicContact CG2-CD2 4.31Å; V118-L291 HydrophobicContact CG2-CG 4.49Å; V118-I468 HydrophobicContact CG2-CD1 4.01Å; V118-I468 HydrophobicContact CG2-CG1 4.32Å |
| 119 | T | 94.1 | Very high | 91 | Very high | 80 Ų | 80 | 48.4 Ų | 48.4 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 177.1 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | V115 A116 C121 C122 V123 | V115-T119 HydrophobicContact CG1-CG2 4.49Å; V115-T119 WeakPolarHBondContact O-CG2 3.25Å; V115-T119 PolarHBondContact O-N 3.43Å; V115-T119 PolarHBondContact O-OG1 3.18Å; A116-T119 WeakPolarHBondContact CA-OG1 3.44Å; A116-T119 PolarHBondContact O-N 2.93Å; A116-T119 PolarHBondContact O-OG1 3.31Å; T119-C121 VanDerWaalsContact C-N 3.34Å; T119-C122 PolarHBondContact O-N 3.05Å; T119-V123 WeakPolarHBondContact O-CG2 3.3Å; T119-V123 PolarHBondContact O-N 2.83Å |
| 120 | L | 96.5 | Very high | 92.4 | Very high | 67 Ų | 67 | 49.5 Ų | 49.5 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 173.6 | -179.1 | 64.9 | 0 | 0 | 0 | 111.2 | A116 A117 V118 V123 A124 L460 A464 | A116-L120 PolarHBondContact O-N 3.29Å; A117-L120 PolarHBondContact O-N 3.42Å; V118-L120 VanDerWaalsContact C-N 3.31Å; V118-L120 PolarHBondContact O-N 3.06Å; L120-V123 PolarHBondContact O-N 3.41Å; L120-A124 PolarHBondContact O-N 3.37Å; L120-L460 HydrophobicContact CD1-CD2 4.36Å; L120-A464 HydrophobicContact CB-CB 4.46Å; L120-A464 HydrophobicContact CD2-CB 4.28Å; L120-A464 HydrophobicContact CG-CB 4.39Å |
| 121 | C | 97.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.9 | -40.8 | 175.4 | -166.7 | 0 | 0 | 0 | 0 | 111.6 | A117 V118 T119 V123 A124 I125 C287 A464 | A117-C121 PolarHBondContact O-N 2.94Å; V118-C121 WeakPolarHBondContact O-CB 3.4Å; V118-C121 PolarHBondContact O-N 3.17Å; V118-C121 VanDerWaalsContact O-N 3.14Å; T119-C121 VanDerWaalsContact C-N 3.34Å; C121-V123 VanDerWaalsContact C-N 3.33Å; C121-V123 PolarHBondContact O-N 3.22Å; C121-A124 WeakPolarHBondContact O-CB 3.42Å; C121-A124 PolarHBondContact O-N 3.48Å; C121-A124 VanDerWaalsContact O-N 3.14Å; C121-I125 VanDerWaalsContact O-CG1 3.27Å; C121-I125 WeakPolarHBondContact O-CG1 3.46Å; C121-I125 PolarHBondContact O-N 3.49Å; C121-C287 VanDerWaalsContact CB-SG 3.55Å; C121-C287 PolarHBondContact SG-SG 3.09Å; C121-A464 HydrophobicContact CB-CB 3.78Å |
| 122 | C | 96.9 | Very high | 94.8 | Very high | 60 Ų | 60 | 45.5 Ų | 45.5 | 41% | 0.405 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.9 | -40.3 | 174.6 | -64.6 | 0 | 0 | 0 | 0 | 112.8 | V118 T119 I125 G126 | V118-C122 PolarHBondContact O-N 3.5Å; V118-C122 PolarHBondContact O-SG 2.97Å; T119-C122 PolarHBondContact O-N 3.05Å; C122-I125 PolarHBondContact O-N 3.36Å; C122-G126 PolarHBondContact O-N 2.94Å; C122-G126 VanDerWaalsContact O-N 3.15Å |
| 123 | V | 98.1 | Very high | 95.5 | Very high | 88 Ų | 88 | 40 Ų | 40 | 53% | 0.533 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.6 | -44.8 | 173.3 | 173 | 0 | 0 | 0 | 0 | 110.5 | T119 L120 C121 I125 G126 I127 | T119-V123 WeakPolarHBondContact O-CG2 3.3Å; T119-V123 PolarHBondContact O-N 2.83Å; L120-V123 PolarHBondContact O-N 3.41Å; C121-V123 VanDerWaalsContact C-N 3.33Å; C121-V123 PolarHBondContact O-N 3.22Å; V123-I125 PolarHBondContact O-N 3.25Å; V123-G126 PolarHBondContact O-N 3.35Å; V123-I127 HydrophobicContact CG1-CD1 4.05Å; V123-I127 WeakPolarHBondContact O-CG1 3.08Å; V123-I127 PolarHBondContact O-N 3.25Å; V123-I127 VanDerWaalsContact O-N 3.07Å |
| 124 | A | 98.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -57.4 | -48.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L120 C121 G126 I127 G128 Y457 L460 | L120-A124 PolarHBondContact O-N 3.37Å; C121-A124 WeakPolarHBondContact O-CB 3.42Å; C121-A124 PolarHBondContact O-N 3.48Å; C121-A124 VanDerWaalsContact O-N 3.14Å; A124-G126 VanDerWaalsContact C-N 3.29Å; A124-G126 PolarHBondContact O-N 2.97Å; A124-I127 CarbonylContact O-C 3.33Å; A124-I127 WeakPolarHBondContact O-CA 3.43Å; A124-I127 WeakPolarHBondContact O-CB 3.33Å; A124-I127 PolarHBondContact O-N 3.23Å; A124-G128 PolarHBondContact O-N 3.35Å; A124-Y457 VanDerWaalsContact C-CD2 3.48Å; A124-Y457 HydrophobicContact CB-CD2 3.99Å; A124-Y457 WeakPolarHBondContact O-CD2 3.49Å; A124-L460 HydrophobicContact CB-CB 3.66Å; A124-L460 HydrophobicContact CB-CD1 4.46Å |
| 125 | I | 98.4 | Very high | 96.6 | Very high | 9 Ų | 9 | 38.5 Ų | 38.5 | 5% | 0.046 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.2 | -43.7 | 178.1 | -69.1 | 162.5 | 0 | 0 | 0 | 110.8 | C121 C122 V123 I127 G128 F129 L280 D283 L284 Y457 | C121-I125 VanDerWaalsContact O-CG1 3.27Å; C121-I125 WeakPolarHBondContact O-CG1 3.46Å; C121-I125 PolarHBondContact O-N 3.49Å; C122-I125 PolarHBondContact O-N 3.36Å; V123-I125 PolarHBondContact O-N 3.25Å; I125-I127 PolarHBondContact O-N 3.11Å; I125-G128 PolarHBondContact O-N 3.28Å; I125-F129 HydrophobicContact CG2-CD2 3.62Å; I125-F129 HydrophobicContact CG2-CE2 3.48Å; I125-F129 VanDerWaalsContact CG2-CE2 3.48Å; I125-F129 VanDerWaalsContact O-CD2 3.27Å; I125-F129 WeakPolarHBondContact O-CD2 3.1Å; I125-F129 PolarHBondContact O-N 3.01Å; I125-L280 HydrophobicContact CB-CD2 4.37Å; I125-L280 HydrophobicContact CG2-CD2 4.14Å; I125-D283 HydrophobicContact CD1-CB 3.98Å; I125-D283 HydrophobicContact CG1-CB 4.04Å; I125-L284 HydrophobicContact CD1-CB 4.17Å; I125-L284 HydrophobicContact CD1-CD1 4.48Å; I125-Y457 HydrophobicContact CG1-CE2 4.29Å |
| 126 | G | 98.3 | Very high | 97 | Very high | 44 Ų | 44 | 38.5 Ų | 38.5 | 45% | 0.454 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.3 | -43.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | C122 V123 A124 G128 Y130 | C122-G126 PolarHBondContact O-N 2.94Å; C122-G126 VanDerWaalsContact O-N 3.15Å; V123-G126 PolarHBondContact O-N 3.35Å; A124-G126 VanDerWaalsContact C-N 3.29Å; A124-G126 PolarHBondContact O-N 2.97Å; G126-G128 VanDerWaalsContact C-N 3.34Å; G126-Y130 PolarHBondContact O-N 3.2Å; G126-Y130 VanDerWaalsContact O-N 3.14Å |
| 127 | I | 98.4 | Very high | 97.2 | Very high | 38 Ų | 38 | 40 Ų | 40 | 20% | 0.195 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.8 | -41.6 | 174.1 | -65.8 | 166.7 | 0 | 0 | 0 | 110.8 | V123 A124 I125 Y130 G131 Y453 L456 L460 | V123-I127 HydrophobicContact CG1-CD1 4.05Å; V123-I127 WeakPolarHBondContact O-CG1 3.08Å; V123-I127 PolarHBondContact O-N 3.25Å; V123-I127 VanDerWaalsContact O-N 3.07Å; A124-I127 CarbonylContact O-C 3.33Å; A124-I127 WeakPolarHBondContact O-CA 3.43Å; A124-I127 WeakPolarHBondContact O-CB 3.33Å; A124-I127 PolarHBondContact O-N 3.23Å; I125-I127 PolarHBondContact O-N 3.11Å; I127-Y130 PolarHBondContact O-N 3.28Å; I127-G131 PolarHBondContact O-N 2.95Å; I127-Y453 HydrophobicContact CG2-CD1 3.86Å; I127-Y453 HydrophobicContact CG2-CG 4.43Å; I127-Y453 WeakPolarHBondContact CG2-O 3.5Å; I127-L456 HydrophobicContact CD1-CD2 4.16Å; I127-L456 HydrophobicContact CG2-CB 4.43Å; I127-L456 HydrophobicContact CG2-CD2 4.15Å; I127-L456 HydrophobicContact CG2-CG 4.36Å; I127-L460 HydrophobicContact CD1-CD1 3.82Å |
| 128 | G | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.1 | -40.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A124 I125 G126 N132 L454 | A124-G128 PolarHBondContact O-N 3.35Å; I125-G128 PolarHBondContact O-N 3.28Å; G126-G128 VanDerWaalsContact C-N 3.34Å; G128-N132 VanDerWaalsContact O-CB 3.25Å; G128-N132 WeakPolarHBondContact O-CB 3.33Å; G128-N132 PolarHBondContact O-N 3.27Å; G128-L454 WeakPolarHBondContact O-CD2 3.28Å |
| 129 | F | 98.1 | Very high | 97.4 | Very high | 99 Ų | 99 | 40.8 Ų | 40.8 | 43% | 0.434 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -61.6 | -44.8 | 172.5 | -87.5 | -68.7 | 0 | 0 | 0 | 112 | I125 S133 L280 | I125-F129 HydrophobicContact CG2-CD2 3.62Å; I125-F129 HydrophobicContact CG2-CE2 3.48Å; I125-F129 VanDerWaalsContact CG2-CE2 3.48Å; I125-F129 VanDerWaalsContact O-CD2 3.27Å; I125-F129 WeakPolarHBondContact O-CD2 3.1Å; I125-F129 PolarHBondContact O-N 3.01Å; F129-S133 PolarHBondContact O-N 3.47Å; F129-S133 VanDerWaalsContact O-N 3.13Å; F129-L280 HydrophobicContact CD1-CD1 3.98Å; F129-L280 HydrophobicContact CD2-CD1 4.27Å; F129-L280 HydrophobicContact CD2-CD2 4.44Å; F129-L280 HydrophobicContact CE1-CD1 4.12Å; F129-L280 HydrophobicContact CE2-CB 4.08Å; F129-L280 HydrophobicContact CE2-CD1 4.4Å; F129-L280 HydrophobicContact CG-CD1 4.05Å; F129-L280 HydrophobicContact CZ-CB 4.01Å; F129-L280 HydrophobicContact CZ-CD1 4.32Å |
| 130 | Y | 98.3 | Very high | 97.5 | Very high | 100 Ų | 100 | 42.7 Ų | 42.7 | 39% | 0.392 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -61 | -53.9 | 176.2 | 176.7 | -110.2 | 0 | 0 | 0 | 111.2 | G126 I127 N132 S133 E134 Y453 | G126-Y130 PolarHBondContact O-N 3.2Å; G126-Y130 VanDerWaalsContact O-N 3.14Å; I127-Y130 PolarHBondContact O-N 3.28Å; Y130-N132 VanDerWaalsContact C-N 3.31Å; Y130-N132 PolarHBondContact O-N 3.49Å; Y130-S133 WeakPolarHBondContact O-CB 3.22Å; Y130-S133 PolarHBondContact O-N 3.34Å; Y130-S133 VanDerWaalsContact O-N 3.12Å; Y130-E134 HydrophobicContact CD1-CG 4.45Å; Y130-E134 HydrophobicContact CD2-CG 4.1Å; Y130-E134 HydrophobicContact CE1-CG 4.01Å; Y130-E134 HydrophobicContact CE2-CG 3.58Å; Y130-E134 WeakPolarHBondContact CE2-OE1 3.37Å; Y130-E134 HydrophobicContact CG-CG 4.49Å; Y130-E134 WeakPolarHBondContact O-CG 3.5Å; Y130-E134 PolarHBondContact O-N 3.15Å; Y130-Y453 HydrophobicContact CD1-CD1 4.37Å; Y130-Y453 AromaticContact CD1-CD2 3.9Å; Y130-Y453 HydrophobicContact CD1-CD2 3.9Å; Y130-Y453 HydrophobicContact CD1-CE1 4.48Å; Y130-Y453 HydrophobicContact CD1-CE2 4.05Å; Y130-Y453 HydrophobicContact CD1-CG 4.08Å; Y130-Y453 AromaticContact CE1-CD2 3.69Å; Y130-Y453 HydrophobicContact CE1-CD2 3.69Å; Y130-Y453 HydrophobicContact CE1-CE1 4.38Å; Y130-Y453 AromaticContact CE1-CE2 3.43Å; Y130-Y453 HydrophobicContact CE1-CE2 3.43Å; Y130-Y453 VanDerWaalsContact CE1-CE2 3.43Å; Y130-Y453 HydrophobicContact CE1-CG 4.29Å; Y130-Y453 AromaticContact CE1-CZ 3.79Å |
| 131 | G | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.1 | -38.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I127 A135 G450 | I127-G131 PolarHBondContact O-N 2.95Å; G131-A135 VanDerWaalsContact O-CB 3.25Å; G131-A135 WeakPolarHBondContact O-CB 3.33Å; G131-A135 PolarHBondContact O-N 3.38Å; G131-G450 CarbonylContact O-C 3.58Å; G131-G450 WeakPolarHBondContact O-CA 3.42Å |
| 132 | N | 98 | Very high | 97.5 | Very high | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.6 | -37.5 | 177.3 | -163 | 38.8 | 0 | 0 | 0 | 112.5 | G128 Y130 H136 R272 W273 L454 | G128-N132 VanDerWaalsContact O-CB 3.25Å; G128-N132 WeakPolarHBondContact O-CB 3.33Å; G128-N132 PolarHBondContact O-N 3.27Å; Y130-N132 VanDerWaalsContact C-N 3.31Å; Y130-N132 PolarHBondContact O-N 3.49Å; N132-H136 VanDerWaalsContact O-CB 3.3Å; N132-H136 WeakPolarHBondContact O-CB 3.3Å; N132-H136 PolarHBondContact O-N 3.43Å; N132-H136 VanDerWaalsContact O-N 3.13Å; N132-R272 PolarHBondContact OD1-NH1 3.3Å; N132-R272 PolarHBondContact OD1-NH2 3.03Å; N132-W273 VanDerWaalsContact ND2-CD1 3.31Å; N132-W273 PolarHBondContact ND2-O 2.85Å; N132-L454 HydrophobicContact CB-CD2 3.98Å |
| 133 | S | 97.6 | Very high | 97.4 | Very high | 56 Ų | 56 | 40.6 Ų | 40.6 | 39% | 0.392 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -68.1 | -49.7 | 176.5 | -165.5 | 0 | 0 | 0 | 0 | 111.2 | F129 Y130 A135 H136 D137 | F129-S133 PolarHBondContact O-N 3.47Å; F129-S133 VanDerWaalsContact O-N 3.13Å; Y130-S133 WeakPolarHBondContact O-CB 3.22Å; Y130-S133 PolarHBondContact O-N 3.34Å; Y130-S133 VanDerWaalsContact O-N 3.12Å; S133-A135 VanDerWaalsContact C-N 3.35Å; S133-A135 PolarHBondContact O-N 2.84Å; S133-H136 WeakPolarHBondContact O-CB 3.31Å; S133-H136 PolarHBondContact O-N 2.77Å; S133-H136 VanDerWaalsContact O-N 3.11Å; S133-D137 PolarHBondContact O-N 3.29Å |
| 134 | E | 97.3 | Very high | 97.3 | Very high | 47 Ų | 47 | 38.8 Ų | 38.8 | 22% | 0.22 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.5 | -41.7 | 179.7 | -65.6 | -64.5 | 149.8 | 0 | 0 | 111.7 | Y130 H136 D137 G138 | Y130-E134 HydrophobicContact CD1-CG 4.45Å; Y130-E134 HydrophobicContact CD2-CG 4.1Å; Y130-E134 HydrophobicContact CE1-CG 4.01Å; Y130-E134 HydrophobicContact CE2-CG 3.58Å; Y130-E134 WeakPolarHBondContact CE2-OE1 3.37Å; Y130-E134 HydrophobicContact CG-CG 4.49Å; Y130-E134 WeakPolarHBondContact O-CG 3.5Å; Y130-E134 PolarHBondContact O-N 3.15Å; E134-H136 VanDerWaalsContact C-N 3.28Å; E134-H136 PolarHBondContact O-N 3Å; E134-D137 PolarHBondContact O-N 3Å; E134-G138 PolarHBondContact O-N 2.99Å |
| 135 | A | 97.3 | Very high | 97.2 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.008 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -61 | -40.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | G131 S133 M139 L451 L454 | G131-A135 VanDerWaalsContact O-CB 3.25Å; G131-A135 WeakPolarHBondContact O-CB 3.33Å; G131-A135 PolarHBondContact O-N 3.38Å; S133-A135 VanDerWaalsContact C-N 3.35Å; S133-A135 PolarHBondContact O-N 2.84Å; A135-M139 WeakPolarHBondContact O-CB 3.49Å; A135-M139 VanDerWaalsContact O-CG 3.26Å; A135-M139 WeakPolarHBondContact O-CG 3.49Å; A135-M139 PolarHBondContact O-N 2.84Å; A135-L451 HydrophobicContact CB-CD2 4.39Å; A135-L454 HydrophobicContact CB-CD1 4.45Å |
| 136 | H | 97.1 | Very high | 97 | Very high | 55 Ų | 55 | 40.3 Ų | 40.3 | 26% | 0.255 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -68.1 | -44.2 | 178.5 | -173.6 | 69.2 | 0 | 0 | 0 | 112.5 | N132 S133 E134 G138 M139 Y140 E269 W273 | N132-H136 VanDerWaalsContact O-CB 3.3Å; N132-H136 WeakPolarHBondContact O-CB 3.3Å; N132-H136 PolarHBondContact O-N 3.43Å; N132-H136 VanDerWaalsContact O-N 3.13Å; S133-H136 WeakPolarHBondContact O-CB 3.31Å; S133-H136 PolarHBondContact O-N 2.77Å; S133-H136 VanDerWaalsContact O-N 3.11Å; E134-H136 VanDerWaalsContact C-N 3.28Å; E134-H136 PolarHBondContact O-N 3Å; H136-G138 VanDerWaalsContact C-N 3.34Å; H136-G138 PolarHBondContact O-N 3.48Å; H136-M139 PolarHBondContact O-N 3.38Å; H136-Y140 WeakPolarHBondContact O-CB 3.32Å; H136-Y140 PolarHBondContact O-N 3.42Å; H136-E269 VanDerWaalsContact CA-OE1 3.29Å; H136-E269 WeakPolarHBondContact CA-OE1 3.45Å; H136-E269 IonicContact CG-OE1 3.77Å; H136-E269 IonicContact ND1-OE1 2.99Å; H136-E269 PolarHBondContact ND1-OE1 2.92Å; H136-W273 AromaticContact CG-CD1 3.9Å; H136-W273 AromaticContact ND1-CD1 3.94Å |
| 137 | D | 96.6 | Very high | 96.8 | Very high | 83 Ų | 83 | 40.5 Ų | 40.5 | 44% | 0.444 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.8 | -42.4 | 177.6 | -72.2 | -24.4 | 0 | 0 | 0 | 111.1 | S133 E134 Y140 Q141 | S133-D137 PolarHBondContact O-N 3.29Å; E134-D137 PolarHBondContact O-N 3Å; D137-Y140 PolarHBondContact O-N 3.42Å; D137-Q141 PolarHBondContact O-N 3.04Å |
| 138 | G | 96.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -61.2 | -43.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | E134 H136 Q141 L142 G442 | E134-G138 PolarHBondContact O-N 2.99Å; H136-G138 VanDerWaalsContact C-N 3.34Å; H136-G138 PolarHBondContact O-N 3.48Å; G138-Q141 PolarHBondContact O-N 2.95Å; G138-L142 PolarHBondContact O-N 3.34Å; G138-G442 CarbonylContact C-O 3.53Å; G138-G442 WeakPolarHBondContact CA-O 3.1Å; G138-G442 CarbonylContact O-C 3.51Å; G138-G442 VanDerWaalsContact O-C 3.26Å; G138-G442 WeakPolarHBondContact O-CA 3.38Å |
| 139 | M | 96.1 | Very high | 96.2 | Very high | 25 Ų | 25 | 42 Ų | 42 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.8 | -35.8 | 175.5 | -75.6 | -60.4 | -61.2 | 0 | 0 | 112.8 | A135 H136 L142 T143 L265 E269 L443 | A135-M139 WeakPolarHBondContact O-CB 3.49Å; A135-M139 VanDerWaalsContact O-CG 3.26Å; A135-M139 WeakPolarHBondContact O-CG 3.49Å; A135-M139 PolarHBondContact O-N 2.84Å; H136-M139 PolarHBondContact O-N 3.38Å; M139-L142 HydrophobicContact CE-CD2 3.93Å; M139-L142 PolarHBondContact O-N 3.03Å; M139-L142 HydrophobicContact SD-CD2 3.78Å; M139-T143 WeakPolarHBondContact O-CB 3.24Å; M139-T143 VanDerWaalsContact O-CG2 3.29Å; M139-T143 WeakPolarHBondContact O-CG2 3.48Å; M139-T143 PolarHBondContact O-N 3.01Å; M139-T143 PolarHBondContact O-OG1 3.07Å; M139-L265 HydrophobicContact CE-CB 3.97Å; M139-L265 HydrophobicContact CE-CD2 4.08Å; M139-L265 HydrophobicContact CE-CG 4.45Å; M139-E269 HydrophobicContact CB-CG 3.82Å; M139-E269 HydrophobicContact CE-CB 4.35Å; M139-E269 HydrophobicContact CG-CG 4.29Å; M139-L443 HydrophobicContact SD-CD1 3.88Å |
| 140 | Y | 95.9 | Very high | 95.8 | Very high | 120 Ų | 120 | 39.8 Ų | 39.8 | 47% | 0.471 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -64.6 | -43.8 | 174.2 | -178.5 | -94.5 | 0 | 0 | 0 | 111.1 | H136 D137 T143 S144 | H136-Y140 WeakPolarHBondContact O-CB 3.32Å; H136-Y140 PolarHBondContact O-N 3.42Å; D137-Y140 PolarHBondContact O-N 3.42Å; Y140-T143 WeakPolarHBondContact CA-OG1 3.47Å; Y140-T143 PolarHBondContact O-N 3.18Å; Y140-T143 PolarHBondContact O-OG1 3.07Å; Y140-T143 VanDerWaalsContact O-OG1 3.09Å; Y140-S144 WeakPolarHBondContact O-CB 3.5Å; Y140-S144 PolarHBondContact O-N 2.71Å |
| 141 | Q | 96.5 | Very high | 95.3 | Very high | 66 Ų | 66 | 40.2 Ų | 40.2 | 31% | 0.308 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -61 | -45.9 | 174.4 | 178.9 | 172.7 | -28.3 | 0 | 0 | 111.7 | D137 G138 S145 D438 | D137-Q141 PolarHBondContact O-N 3.04Å; G138-Q141 PolarHBondContact O-N 2.95Å; Q141-S145 PolarHBondContact O-N 3.39Å; Q141-S145 PolarHBondContact O-OG 3.11Å; Q141-D438 PolarHBondContact NE2-O 3.48Å |
| 142 | L | 96.6 | Very high | 95 | Very high | 10 Ų | 10 | 41 Ų | 41 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -54.7 | -54.1 | 174.9 | 167.4 | 66.1 | 0 | 0 | 0 | 112 | G138 M139 S145 L146 L265 L443 | G138-L142 PolarHBondContact O-N 3.34Å; M139-L142 HydrophobicContact CE-CD2 3.93Å; M139-L142 PolarHBondContact O-N 3.03Å; M139-L142 HydrophobicContact SD-CD2 3.78Å; L142-S145 PolarHBondContact O-N 3.04Å; L142-L146 HydrophobicContact CD1-CD1 3.87Å; L142-L146 HydrophobicContact CD1-CG 4.24Å; L142-L146 HydrophobicContact CG-CD1 4.13Å; L142-L146 WeakPolarHBondContact O-CG 3.47Å; L142-L146 PolarHBondContact O-N 3.41Å; L142-L265 HydrophobicContact CD2-CD1 3.72Å; L142-L265 HydrophobicContact CG-CD1 4.21Å; L142-L443 HydrophobicContact CB-CB 4.44Å; L142-L443 HydrophobicContact CD1-CB 4.34Å; L142-L443 HydrophobicContact CD1-CD2 4.43Å; L142-L443 HydrophobicContact CD2-CB 4.02Å; L142-L443 HydrophobicContact CD2-CD1 3.99Å; L142-L443 HydrophobicContact CD2-CD2 3.92Å; L142-L443 HydrophobicContact CD2-CG 4.16Å; L142-L443 HydrophobicContact CG-CB 4.49Å |
| 143 | T | 95.6 | Very high | 94.5 | Very high | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.049 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -68.7 | -37.6 | -174.9 | 52.8 | 0 | 0 | 0 | 0 | 111.7 | M139 Y140 L146 L147 L265 I266 | M139-T143 WeakPolarHBondContact O-CB 3.24Å; M139-T143 VanDerWaalsContact O-CG2 3.29Å; M139-T143 WeakPolarHBondContact O-CG2 3.48Å; M139-T143 PolarHBondContact O-N 3.01Å; M139-T143 PolarHBondContact O-OG1 3.07Å; Y140-T143 WeakPolarHBondContact CA-OG1 3.47Å; Y140-T143 PolarHBondContact O-N 3.18Å; Y140-T143 PolarHBondContact O-OG1 3.07Å; Y140-T143 VanDerWaalsContact O-OG1 3.09Å; T143-L146 PolarHBondContact O-N 3.34Å; T143-L147 WeakPolarHBondContact O-CG 3.2Å; T143-L147 PolarHBondContact O-N 3.43Å; T143-L265 HydrophobicContact CG2-CB 3.77Å; T143-I266 HydrophobicContact CG2-CG1 3.69Å |
| 144 | S | 95.6 | Very high | 94 | Very high | 49 Ų | 49 | 42.3 Ų | 42.3 | 34% | 0.343 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.3 | -48.8 | 173.6 | -173.4 | 0 | 0 | 0 | 0 | 111.8 | Y140 L146 L147 T148 | Y140-S144 WeakPolarHBondContact O-CB 3.5Å; Y140-S144 PolarHBondContact O-N 2.71Å; S144-L146 VanDerWaalsContact C-N 3.34Å; S144-L146 PolarHBondContact O-N 2.88Å; S144-L147 PolarHBondContact O-N 3.26Å; S144-T148 PolarHBondContact O-N 3.46Å; S144-T148 PolarHBondContact O-OG1 3Å |
| 145 | S | 96 | Very high | 93.5 | Very high | 12 Ų | 12 | 42.3 Ų | 42.3 | 8% | 0.084 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62.5 | -39.4 | 177.3 | -65.9 | 0 | 0 | 0 | 0 | 112.7 | Q141 L142 T148 A149 D435 D438 | Q141-S145 PolarHBondContact O-N 3.39Å; Q141-S145 PolarHBondContact O-OG 3.11Å; L142-S145 PolarHBondContact O-N 3.04Å; S145-T148 PolarHBondContact O-N 3.43Å; S145-A149 WeakPolarHBondContact O-CB 3.42Å; S145-A149 PolarHBondContact O-N 3.47Å; S145-D435 VanDerWaalsContact CB-O 3.31Å; S145-D435 WeakPolarHBondContact CB-O 3.33Å; S145-D438 WeakPolarHBondContact OG-CB 3.33Å |
| 146 | L | 94.3 | Very high | 93.1 | Very high | 30 Ų | 30 | 42.3 Ų | 42.3 | 16% | 0.157 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.4 | -38.6 | 175.1 | -72.6 | 173.4 | 0 | 0 | 0 | 112.4 | L142 T143 S144 A149 N150 P258 A261 A262 L265 | L142-L146 HydrophobicContact CD1-CD1 3.87Å; L142-L146 HydrophobicContact CD1-CG 4.24Å; L142-L146 HydrophobicContact CG-CD1 4.13Å; L142-L146 WeakPolarHBondContact O-CG 3.47Å; L142-L146 PolarHBondContact O-N 3.41Å; T143-L146 PolarHBondContact O-N 3.34Å; S144-L146 VanDerWaalsContact C-N 3.34Å; S144-L146 PolarHBondContact O-N 2.88Å; L146-A149 PolarHBondContact O-N 2.66Å; L146-N150 WeakPolarHBondContact O-CB 3.34Å; L146-N150 PolarHBondContact O-N 2.86Å; L146-P258 HydrophobicContact CD2-CB 4.26Å; L146-P258 WeakPolarHBondContact O-CB 3.39Å; L146-A261 HydrophobicContact CD1-CB 4.17Å; L146-A262 HydrophobicContact CB-CB 3.86Å; L146-L265 HydrophobicContact CD1-CD1 3.88Å |
| 147 | L | 93.6 | Very high | 92.6 | Very high | 48 Ų | 48 | 41.6 Ų | 41.6 | 25% | 0.251 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -65.7 | -43.8 | 173.9 | -72.5 | 170.3 | 0 | 0 | 0 | 111.4 | T143 S144 A149 N150 Y151 A262 I266 | T143-L147 WeakPolarHBondContact O-CG 3.2Å; T143-L147 PolarHBondContact O-N 3.43Å; S144-L147 PolarHBondContact O-N 3.26Å; L147-A149 VanDerWaalsContact C-N 3.33Å; L147-A149 PolarHBondContact O-N 3.4Å; L147-N150 WeakPolarHBondContact O-CB 3.48Å; L147-N150 PolarHBondContact O-N 2.84Å; L147-N150 VanDerWaalsContact O-N 3.12Å; L147-Y151 HydrophobicContact CB-CE2 4.28Å; L147-Y151 WeakPolarHBondContact O-CD2 3.29Å; L147-Y151 PolarHBondContact O-N 2.9Å; L147-A262 HydrophobicContact CD2-CB 3.85Å; L147-A262 HydrophobicContact CG-CB 3.78Å; L147-I266 HydrophobicContact CD1-CD1 4.34Å |
| 148 | T | 92.9 | Very high | 92.2 | Very high | 59 Ų | 59 | 43 Ų | 43 | 36% | 0.362 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -59.6 | -43.3 | 174.6 | -57 | 0 | 0 | 0 | 0 | 111.4 | S144 S145 N150 Y151 T152 | S144-T148 PolarHBondContact O-N 3.46Å; S144-T148 PolarHBondContact O-OG1 3Å; S145-T148 PolarHBondContact O-N 3.43Å; T148-N150 VanDerWaalsContact C-N 3.33Å; T148-N150 PolarHBondContact O-N 3.3Å; T148-Y151 PolarHBondContact O-N 3.19Å; T148-T152 WeakPolarHBondContact O-CG2 3.4Å; T148-T152 PolarHBondContact O-N 3.13Å; T148-T152 PolarHBondContact O-OG1 3.26Å |
| 149 | A | 91.4 | Very high | 91.9 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 8% | 0.083 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.5 | -41.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S145 L146 L147 Y151 T152 L153 P258 L432 D435 | S145-A149 WeakPolarHBondContact O-CB 3.42Å; S145-A149 PolarHBondContact O-N 3.47Å; L146-A149 PolarHBondContact O-N 2.66Å; L147-A149 VanDerWaalsContact C-N 3.33Å; L147-A149 PolarHBondContact O-N 3.4Å; A149-Y151 PolarHBondContact O-N 2.96Å; A149-T152 WeakPolarHBondContact CA-OG1 3.35Å; A149-T152 PolarHBondContact O-N 3.31Å; A149-T152 PolarHBondContact O-OG1 3.13Å; A149-L153 VanDerWaalsContact O-CG 3.31Å; A149-L153 WeakPolarHBondContact O-CG 3.46Å; A149-L153 PolarHBondContact O-N 3.49Å; A149-P258 HydrophobicContact CB-CB 4.2Å; A149-P258 HydrophobicContact CB-CG 4.48Å; A149-L432 HydrophobicContact CB-CD2 3.81Å; A149-D435 HydrophobicContact CB-CB 4.19Å |
| 150 | N | 90.4 | Very high | 91.7 | Very high | 52 Ų | 52 | 42.6 Ų | 42.6 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63 | -41.7 | 175.5 | -166.9 | 57.5 | 0 | 0 | 0 | 112.2 | L146 L147 T148 L153 A154 P258 G259 | L146-N150 WeakPolarHBondContact O-CB 3.34Å; L146-N150 PolarHBondContact O-N 2.86Å; L147-N150 WeakPolarHBondContact O-CB 3.48Å; L147-N150 PolarHBondContact O-N 2.84Å; L147-N150 VanDerWaalsContact O-N 3.12Å; T148-N150 VanDerWaalsContact C-N 3.33Å; T148-N150 PolarHBondContact O-N 3.3Å; N150-L153 PolarHBondContact O-N 3.37Å; N150-A154 WeakPolarHBondContact O-CB 3.33Å; N150-A154 PolarHBondContact O-N 3.45Å; N150-P258 HydrophobicContact CB-CB 4.25Å; N150-G259 PolarHBondContact OD1-N 3.43Å |
| 151 | Y | 88.8 | Confident | 91.4 | Very high | 110 Ų | 110 | 40 Ų | 40 | 43% | 0.431 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.6 | -39.3 | 177.1 | -73.1 | -58.2 | 0 | 0 | 0 | 112.8 | L147 T148 A149 A154 S155 | L147-Y151 HydrophobicContact CB-CE2 4.28Å; L147-Y151 WeakPolarHBondContact O-CD2 3.29Å; L147-Y151 PolarHBondContact O-N 2.9Å; T148-Y151 PolarHBondContact O-N 3.19Å; A149-Y151 PolarHBondContact O-N 2.96Å; Y151-A154 PolarHBondContact O-N 3.12Å; Y151-S155 WeakPolarHBondContact O-CB 3.15Å; Y151-S155 PolarHBondContact O-N 3.28Å; Y151-S155 PolarHBondContact O-OG 2.88Å |
| 152 | T | 90.3 | Very high | 91 | Very high | 16 Ų | 16 | 40.8 Ų | 40.8 | 10% | 0.098 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -65.6 | -42 | 176.7 | 56.3 | 0 | 0 | 0 | 0 | 110.9 | T148 A149 S155 I156 I431 L432 | T148-T152 WeakPolarHBondContact O-CG2 3.4Å; T148-T152 PolarHBondContact O-N 3.13Å; T148-T152 PolarHBondContact O-OG1 3.26Å; A149-T152 WeakPolarHBondContact CA-OG1 3.35Å; A149-T152 PolarHBondContact O-N 3.31Å; A149-T152 PolarHBondContact O-OG1 3.13Å; T152-S155 PolarHBondContact O-N 2.76Å; T152-I156 WeakPolarHBondContact O-CD1 3.1Å; T152-I156 WeakPolarHBondContact O-CG1 3.44Å; T152-I156 PolarHBondContact O-N 3.47Å; T152-I156 VanDerWaalsContact O-N 3.08Å; T152-I431 HydrophobicContact CG2-CG2 3.89Å; T152-L432 WeakPolarHBondContact OG1-CD2 3.32Å |
| 153 | L | 88.8 | Confident | 90.8 | Very high | 45 Ų | 45 | 40.3 Ų | 40.3 | 24% | 0.236 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.1 | -54 | 171.7 | -68.5 | 173.5 | 0 | 0 | 0 | 110.5 | A149 N150 S155 I156 D157 R213 P258 L432 | A149-L153 VanDerWaalsContact O-CG 3.31Å; A149-L153 WeakPolarHBondContact O-CG 3.46Å; A149-L153 PolarHBondContact O-N 3.49Å; N150-L153 PolarHBondContact O-N 3.37Å; L153-S155 PolarHBondContact O-N 2.93Å; L153-I156 WeakPolarHBondContact O-CB 3.49Å; L153-I156 PolarHBondContact O-N 2.89Å; L153-D157 PolarHBondContact O-N 3.27Å; L153-R213 PolarHBondContact O-NH1 3.41Å; L153-R213 PolarHBondContact O-NH2 2.69Å; L153-P258 HydrophobicContact CD1-CG 4.03Å; L153-L432 HydrophobicContact CD2-CD1 4.04Å; L153-L432 HydrophobicContact CG-CD2 4.31Å |
| 154 | A | 86 | Confident | 90.7 | Very high | 43 Ų | 43 | 41.1 Ų | 41.1 | 36% | 0.355 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -55.6 | -40.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | N150 Y151 I156 D157 L158 | N150-A154 WeakPolarHBondContact O-CB 3.33Å; N150-A154 PolarHBondContact O-N 3.45Å; Y151-A154 PolarHBondContact O-N 3.12Å; A154-I156 PolarHBondContact O-N 3.24Å; A154-D157 PolarHBondContact O-N 3.37Å; A154-L158 WeakPolarHBondContact O-CG 3.43Å; A154-L158 PolarHBondContact O-N 3.33Å |
| 155 | S | 87.2 | Confident | 90.6 | Very high | 46 Ų | 46 | 41.6 Ų | 41.6 | 32% | 0.322 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -62.1 | -40.5 | 177 | -59.8 | 0 | 0 | 0 | 0 | 112.6 | Y151 T152 L153 L158 L159 | Y151-S155 WeakPolarHBondContact O-CB 3.15Å; Y151-S155 PolarHBondContact O-N 3.28Å; Y151-S155 PolarHBondContact O-OG 2.88Å; T152-S155 PolarHBondContact O-N 2.76Å; L153-S155 PolarHBondContact O-N 2.93Å; S155-L158 PolarHBondContact O-N 2.63Å; S155-L159 WeakPolarHBondContact O-CB 3.28Å; S155-L159 WeakPolarHBondContact O-CD1 3.17Å; S155-L159 VanDerWaalsContact O-CG 3.23Å; S155-L159 WeakPolarHBondContact O-CG 3.33Å; S155-L159 PolarHBondContact O-N 2.92Å |
| 156 | I | 88.6 | Confident | 90.4 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.5 | -44.6 | 175.4 | -72.5 | 159.6 | 0 | 0 | 0 | 110.9 | T152 L153 A154 L159 I160 R213 L423 L426 L427 | T152-I156 WeakPolarHBondContact O-CD1 3.1Å; T152-I156 WeakPolarHBondContact O-CG1 3.44Å; T152-I156 PolarHBondContact O-N 3.47Å; T152-I156 VanDerWaalsContact O-N 3.08Å; L153-I156 WeakPolarHBondContact O-CB 3.49Å; L153-I156 PolarHBondContact O-N 2.89Å; A154-I156 PolarHBondContact O-N 3.24Å; I156-L159 PolarHBondContact O-N 3.12Å; I156-I160 HydrophobicContact CG2-CD1 3.82Å; I156-I160 VanDerWaalsContact O-CG1 3.3Å; I156-I160 WeakPolarHBondContact O-CG1 3.49Å; I156-I160 PolarHBondContact O-N 3.04Å; I156-R213 VanDerWaalsContact CB-NH1 3.34Å; I156-R213 VanDerWaalsContact CG2-NH1 3.3Å; I156-L423 HydrophobicContact CB-CD1 4.35Å; I156-L423 HydrophobicContact CG1-CD1 4.41Å; I156-L423 HydrophobicContact CG2-CD1 3.81Å; I156-L426 HydrophobicContact CD1-CB 4.02Å; I156-L426 HydrophobicContact CG1-CB 3.61Å; I156-L426 HydrophobicContact CG1-CD1 4.19Å; I156-L427 HydrophobicContact CD1-CD2 4.22Å; I156-L427 HydrophobicContact CG2-CD2 4.08Å |
| 157 | D | 86.4 | Confident | 90.4 | Very high | 40 Ų | 40 | 40.2 Ų | 40.2 | 21% | 0.214 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66.7 | -41.8 | 179.8 | -89.2 | -1.7 | 0 | 0 | 0 | 112.1 | L153 A154 L159 I160 S161 R213 | L153-D157 PolarHBondContact O-N 3.27Å; A154-D157 PolarHBondContact O-N 3.37Å; D157-L159 PolarHBondContact O-N 3.38Å; D157-I160 PolarHBondContact O-N 3.01Å; D157-S161 VanDerWaalsContact O-CB 3.28Å; D157-S161 WeakPolarHBondContact O-CB 3.47Å; D157-S161 PolarHBondContact O-N 3.38Å; D157-R213 IonicContact OD1-CZ 3.81Å; D157-R213 IonicContact OD1-NE 3.13Å; D157-R213 PolarHBondContact OD1-NE 3.23Å; D157-R213 IonicContact OD1-NH1 2.9Å; D157-R213 IonicContact OD1-NH2 3.15Å; D157-R213 PolarHBondContact OD1-NH2 3.26Å; D157-R213 VanDerWaalsContact OD1-NH2 3.13Å; D157-R213 IonicContact OD2-CZ 3.92Å; D157-R213 IonicContact OD2-NE 2.58Å; D157-R213 PolarHBondContact OD2-NE 3.12Å; D157-R213 IonicContact OD2-NH2 2.64Å; D157-R213 PolarHBondContact OD2-NH2 2.8Å |
| 158 | L | 88.1 | Confident | 90.5 | Very high | 111 Ų | 111 | 42.5 Ų | 42.5 | 58% | 0.581 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -61.5 | -44.6 | 176 | -70.9 | 175.5 | 0 | 0 | 0 | 111.5 | A154 S155 I160 S161 D162 | A154-L158 WeakPolarHBondContact O-CG 3.43Å; A154-L158 PolarHBondContact O-N 3.33Å; S155-L158 PolarHBondContact O-N 2.63Å; L158-I160 PolarHBondContact O-N 3.41Å; L158-S161 PolarHBondContact O-N 2.88Å; L158-D162 VanDerWaalsContact O-CB 3.29Å; L158-D162 WeakPolarHBondContact O-CB 3.27Å; L158-D162 PolarHBondContact O-N 3.28Å |
| 159 | L | 91.1 | Very high | 90.6 | Very high | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.084 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 177.7 | -72.7 | 165.2 | 0 | 0 | 0 | 112.3 | S155 I156 D157 T163 N419 Q422 L423 L426 | S155-L159 WeakPolarHBondContact O-CB 3.28Å; S155-L159 WeakPolarHBondContact O-CD1 3.17Å; S155-L159 VanDerWaalsContact O-CG 3.23Å; S155-L159 WeakPolarHBondContact O-CG 3.33Å; S155-L159 PolarHBondContact O-N 2.92Å; I156-L159 PolarHBondContact O-N 3.12Å; D157-L159 PolarHBondContact O-N 3.38Å; L159-T163 VanDerWaalsContact O-CB 3.28Å; L159-T163 WeakPolarHBondContact O-CB 3.48Å; L159-T163 PolarHBondContact O-N 2.93Å; L159-T163 VanDerWaalsContact O-N 3.08Å; L159-T163 PolarHBondContact O-OG1 3.3Å; L159-N419 HydrophobicContact CD2-CB 3.84Å; L159-Q422 HydrophobicContact CD1-CB 4.15Å; L159-Q422 HydrophobicContact CD1-CG 3.83Å; L159-Q422 HydrophobicContact CD2-CB 4.46Å; L159-L423 HydrophobicContact CB-CB 4.48Å; L159-L423 HydrophobicContact CD1-CB 4.46Å; L159-L426 HydrophobicContact CD1-CD1 3.65Å |
| 160 | I | 91.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.7 | -47.8 | 175.9 | -69.5 | 168.1 | 0 | 0 | 0 | 110.3 | I156 D157 L158 T163 I164 L206 I209 L423 | I156-I160 HydrophobicContact CG2-CD1 3.82Å; I156-I160 VanDerWaalsContact O-CG1 3.3Å; I156-I160 WeakPolarHBondContact O-CG1 3.49Å; I156-I160 PolarHBondContact O-N 3.04Å; D157-I160 PolarHBondContact O-N 3.01Å; L158-I160 PolarHBondContact O-N 3.41Å; I160-T163 PolarHBondContact O-N 3.36Å; I160-I164 HydrophobicContact CG2-CD1 3.59Å; I160-I164 HydrophobicContact CG2-CG1 4.35Å; I160-I164 WeakPolarHBondContact O-CB 3.44Å; I160-I164 VanDerWaalsContact O-CG1 3.28Å; I160-I164 WeakPolarHBondContact O-CG1 3.37Å; I160-I164 PolarHBondContact O-N 2.9Å; I160-L206 HydrophobicContact CG2-CB 4.29Å; I160-I209 HydrophobicContact CD1-CB 4.31Å; I160-I209 HydrophobicContact CD1-CG2 3.88Å; I160-L423 HydrophobicContact CD1-CD1 4.15Å; I160-L423 HydrophobicContact CG1-CD1 3.84Å; I160-L423 HydrophobicContact CG1-CD2 3.8Å; I160-L423 HydrophobicContact CG1-CG 4.5Å |
| 161 | S | 90.1 | Very high | 90.9 | Very high | 65 Ų | 65 | 42.7 Ų | 42.7 | 46% | 0.455 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.4 | -46.8 | -179.6 | -173.6 | 0 | 0 | 0 | 0 | 112.2 | D157 L158 T163 I164 T165 | D157-S161 VanDerWaalsContact O-CB 3.28Å; D157-S161 WeakPolarHBondContact O-CB 3.47Å; D157-S161 PolarHBondContact O-N 3.38Å; L158-S161 PolarHBondContact O-N 2.88Å; S161-T163 VanDerWaalsContact C-N 3.33Å; S161-T163 PolarHBondContact O-N 3.46Å; S161-I164 PolarHBondContact O-N 3.25Å; S161-T165 WeakPolarHBondContact O-CB 3.41Å; S161-T165 VanDerWaalsContact O-CG2 3.3Å; S161-T165 WeakPolarHBondContact O-CG2 3.28Å; S161-T165 PolarHBondContact O-N 2.88Å; S161-T165 PolarHBondContact O-OG1 2.64Å |
| 162 | D | 89.2 | Confident | 91.1 | Very high | 82 Ų | 82 | 41.3 Ų | 41.3 | 44% | 0.439 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 177.9 | -167.8 | 51.3 | 0 | 0 | 0 | 111.4 | L158 T165 G166 N419 | L158-D162 VanDerWaalsContact O-CB 3.29Å; L158-D162 WeakPolarHBondContact O-CB 3.27Å; L158-D162 PolarHBondContact O-N 3.28Å; D162-T165 WeakPolarHBondContact CA-OG1 3.34Å; D162-T165 PolarHBondContact O-OG1 2.76Å; D162-T165 VanDerWaalsContact O-OG1 3.07Å; D162-G166 PolarHBondContact O-N 3.06Å; D162-N419 PolarHBondContact OD2-ND2 2.84Å |
| 163 | T | 92.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.2 | -45.1 | 175.2 | -59 | 0 | 0 | 0 | 0 | 112.2 | L159 I160 S161 L167 L206 T416 | L159-T163 VanDerWaalsContact O-CB 3.28Å; L159-T163 WeakPolarHBondContact O-CB 3.48Å; L159-T163 PolarHBondContact O-N 2.93Å; L159-T163 VanDerWaalsContact O-N 3.08Å; L159-T163 PolarHBondContact O-OG1 3.3Å; I160-T163 PolarHBondContact O-N 3.36Å; S161-T163 VanDerWaalsContact C-N 3.33Å; S161-T163 PolarHBondContact O-N 3.46Å; T163-L167 HydrophobicContact CG2-CD1 4.06Å; T163-L167 WeakPolarHBondContact O-CB 3.45Å; T163-L167 WeakPolarHBondContact O-CG 3.38Å; T163-L167 PolarHBondContact O-N 3.34Å; T163-L206 HydrophobicContact CG2-CD1 3.36Å; T163-T416 HydrophobicContact CG2-CG2 3.55Å |
| 164 | I | 93.1 | Very high | 91.5 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 13% | 0.128 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -63.5 | -49.3 | 179 | -73.4 | 170.3 | 0 | 0 | 0 | 110.3 | I160 S161 L167 Q168 I203 L206 | I160-I164 HydrophobicContact CG2-CD1 3.59Å; I160-I164 HydrophobicContact CG2-CG1 4.35Å; I160-I164 WeakPolarHBondContact O-CB 3.44Å; I160-I164 VanDerWaalsContact O-CG1 3.28Å; I160-I164 WeakPolarHBondContact O-CG1 3.37Å; I160-I164 PolarHBondContact O-N 2.9Å; S161-I164 PolarHBondContact O-N 3.25Å; I164-L167 PolarHBondContact O-N 3.42Å; I164-Q168 HydrophobicContact CG2-CG 4.34Å; I164-Q168 WeakPolarHBondContact O-CB 3.42Å; I164-Q168 VanDerWaalsContact O-CG 3.26Å; I164-Q168 WeakPolarHBondContact O-CG 3.5Å; I164-Q168 PolarHBondContact O-N 3.43Å; I164-I203 HydrophobicContact CG2-CG2 4.07Å; I164-L206 HydrophobicContact CD1-CB 4.24Å; I164-L206 HydrophobicContact CG1-CB 4.19Å |
| 165 | T | 92.7 | Very high | 91.9 | Very high | 59 Ų | 59 | 38.6 Ų | 38.6 | 36% | 0.362 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -64.2 | -42.9 | -178.9 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | S161 D162 Q168 L169 | S161-T165 WeakPolarHBondContact O-CB 3.41Å; S161-T165 VanDerWaalsContact O-CG2 3.3Å; S161-T165 WeakPolarHBondContact O-CG2 3.28Å; S161-T165 PolarHBondContact O-N 2.88Å; S161-T165 PolarHBondContact O-OG1 2.64Å; D162-T165 WeakPolarHBondContact CA-OG1 3.34Å; D162-T165 PolarHBondContact O-OG1 2.76Å; D162-T165 VanDerWaalsContact O-OG1 3.07Å; T165-Q168 PolarHBondContact O-N 2.98Å; T165-L169 VanDerWaalsContact O-CG 3.31Å; T165-L169 WeakPolarHBondContact O-CG 3.3Å; T165-L169 PolarHBondContact O-N 3.08Å |
| 166 | G | 93.3 | Very high | 92.2 | Very high | 13 Ų | 13 | 38.9 Ų | 38.9 | 13% | 0.134 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.9 | -49.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D162 Q168 L169 S170 I412 | D162-G166 PolarHBondContact O-N 3.06Å; G166-Q168 PolarHBondContact O-N 3.49Å; G166-L169 WeakPolarHBondContact O-CB 3.38Å; G166-L169 PolarHBondContact O-N 3.43Å; G166-S170 PolarHBondContact O-N 3.04Å; G166-I412 VanDerWaalsContact O-CG2 3.29Å; G166-I412 WeakPolarHBondContact O-CG2 3.31Å |
| 167 | L | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.6 | -36.8 | 177.8 | -70.1 | 175.7 | 0 | 0 | 0 | 112.4 | T163 I164 S170 V171 V202 I203 L413 T416 | T163-L167 HydrophobicContact CG2-CD1 4.06Å; T163-L167 WeakPolarHBondContact O-CB 3.45Å; T163-L167 WeakPolarHBondContact O-CG 3.38Å; T163-L167 PolarHBondContact O-N 3.34Å; I164-L167 PolarHBondContact O-N 3.42Å; L167-S170 WeakPolarHBondContact O-CB 3.26Å; L167-S170 PolarHBondContact O-N 3.47Å; L167-V171 VanDerWaalsContact O-CG2 3.3Å; L167-V171 WeakPolarHBondContact O-CG2 3.41Å; L167-V171 PolarHBondContact O-N 2.91Å; L167-V202 HydrophobicContact CD1-CB 3.83Å; L167-V202 HydrophobicContact CD1-CG1 3.49Å; L167-V202 VanDerWaalsContact CD1-CG1 3.49Å; L167-I203 HydrophobicContact CB-CD1 3.74Å; L167-I203 HydrophobicContact CB-CG1 3.72Å; L167-I203 HydrophobicContact CD1-CG1 4.19Å; L167-L413 HydrophobicContact CD2-CD2 4.17Å; L167-T416 HydrophobicContact CD1-CG2 4.36Å; L167-T416 HydrophobicContact CD2-CG2 4.36Å; L167-T416 HydrophobicContact CG-CG2 4.37Å |
| 168 | Q | 95.1 | Very high | 92.7 | Very high | 97 Ų | 97 | 39.1 Ų | 39.1 | 45% | 0.453 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 174.8 | -77.7 | 178.2 | -17 | 0 | 0 | 112 | I164 T165 G166 S170 V171 S172 I203 | I164-Q168 HydrophobicContact CG2-CG 4.34Å; I164-Q168 WeakPolarHBondContact O-CB 3.42Å; I164-Q168 VanDerWaalsContact O-CG 3.26Å; I164-Q168 WeakPolarHBondContact O-CG 3.5Å; I164-Q168 PolarHBondContact O-N 3.43Å; T165-Q168 PolarHBondContact O-N 2.98Å; G166-Q168 PolarHBondContact O-N 3.49Å; Q168-S170 VanDerWaalsContact C-N 3.33Å; Q168-V171 PolarHBondContact O-N 2.87Å; Q168-S172 WeakPolarHBondContact O-CB 3.38Å; Q168-S172 PolarHBondContact O-N 3.45Å; Q168-S172 PolarHBondContact O-OG 2.72Å; Q168-I203 HydrophobicContact CB-CD1 4.5Å; Q168-I203 HydrophobicContact CG-CD1 3.68Å; Q168-I203 HydrophobicContact CG-CG1 4.38Å |
| 169 | L | 94.6 | Very high | 93 | Very high | 112 Ų | 112 | 35.3 Ų | 35.3 | 59% | 0.586 | 22% | 0.217 | S | C | * | . | H | α-helix | trans | -61.5 | -42.5 | 172.9 | -73 | 169.1 | 0 | 0 | 0 | 111 | T165 G166 V171 S172 G173 P174 | T165-L169 VanDerWaalsContact O-CG 3.31Å; T165-L169 WeakPolarHBondContact O-CG 3.3Å; T165-L169 PolarHBondContact O-N 3.08Å; G166-L169 WeakPolarHBondContact O-CB 3.38Å; G166-L169 PolarHBondContact O-N 3.43Å; L169-V171 PolarHBondContact O-N 3.07Å; L169-S172 PolarHBondContact O-OG 2.99Å; L169-G173 PolarHBondContact O-N 3.3Å; L169-P174 VanDerWaalsContact O-CD 3.23Å; L169-P174 WeakPolarHBondContact O-CD 3.42Å |
| 170 | S | 94.4 | Very high | 93.1 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 175.8 | -174.1 | 0 | 0 | 0 | 0 | 112.6 | G166 L167 Q168 P174 L175 | G166-S170 PolarHBondContact O-N 3.04Å; L167-S170 WeakPolarHBondContact O-CB 3.26Å; L167-S170 PolarHBondContact O-N 3.47Å; Q168-S170 VanDerWaalsContact C-N 3.33Å; S170-P174 WeakPolarHBondContact O-CD 3.47Å; S170-L175 VanDerWaalsContact O-CB 3.31Å; S170-L175 WeakPolarHBondContact O-CB 3.38Å; S170-L175 WeakPolarHBondContact O-CG 3.44Å; S170-L175 PolarHBondContact O-N 2.91Å |
| 171 | V | 94.3 | Very high | 93.1 | Very high | 13 Ų | 13 | 44 Ų | 44 | 8% | 0.079 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -68.1 | -45 | -179.5 | 165.5 | 0 | 0 | 0 | 0 | 112.2 | L167 Q168 L169 L175 R196 E200 | L167-V171 VanDerWaalsContact O-CG2 3.3Å; L167-V171 WeakPolarHBondContact O-CG2 3.41Å; L167-V171 PolarHBondContact O-N 2.91Å; Q168-V171 PolarHBondContact O-N 2.87Å; L169-V171 PolarHBondContact O-N 3.07Å; V171-L175 HydrophobicContact CG2-CD1 4.34Å; V171-R196 HydrophobicContact CG1-CG 3.96Å; V171-R196 HydrophobicContact CG2-CG 4.29Å; V171-R196 PolarHBondContact O-NH1 3.03Å; V171-E200 HydrophobicContact CG1-CG 4.12Å; V171-E200 WeakPolarHBondContact CG1-OE1 3.31Å; V171-E200 HydrophobicContact CG2-CG 4.16Å |
| 172 | S | 92.6 | Very high | 93.3 | Very high | 80 Ų | 80 | 41 Ų | 41 | 56% | 0.559 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -78.8 | -28.5 | -174.7 | 56.5 | 0 | 0 | 0 | 0 | 113.7 | Q168 L169 | Q168-S172 WeakPolarHBondContact O-CB 3.38Å; Q168-S172 PolarHBondContact O-N 3.45Å; Q168-S172 PolarHBondContact O-OG 2.72Å; L169-S172 PolarHBondContact O-OG 2.99Å |
| 173 | G | 94 | Very high | 93.2 | Very high | 33 Ų | 33 | 41.5 Ų | 41.5 | 34% | 0.34 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -89.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L169 L175 S176 S177 | L169-G173 PolarHBondContact O-N 3.3Å; G173-L175 PolarHBondContact O-N 3.03Å; G173-S176 WeakPolarHBondContact O-CB 3.23Å; G173-S176 PolarHBondContact O-N 3.1Å; G173-S176 VanDerWaalsContact O-N 3.11Å; G173-S177 PolarHBondContact O-N 3.26Å |
| 174 | P | 93.7 | Very high | 92.9 | Very high | 14 Ų | 14 | 45 Ų | 45 | 9% | 0.091 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -56.4 | -42.9 | -168.4 | -28 | 35.5 | 0 | 0 | 0 | 115.1 | L169 S170 S177 M178 E408 V409 | L169-P174 VanDerWaalsContact O-CD 3.23Å; L169-P174 WeakPolarHBondContact O-CD 3.42Å; S170-P174 WeakPolarHBondContact O-CD 3.47Å; P174-S177 PolarHBondContact O-N 3.39Å; P174-M178 VanDerWaalsContact O-CG 3.3Å; P174-M178 WeakPolarHBondContact O-CG 3.44Å; P174-M178 PolarHBondContact O-N 3.11Å; P174-E408 HydrophobicContact CB-CB 4.38Å; P174-E408 HydrophobicContact CG-CB 3.94Å; P174-V409 HydrophobicContact CB-CG2 3.43Å; P174-V409 VanDerWaalsContact CB-CG2 3.43Å; P174-V409 HydrophobicContact CG-CG2 4.35Å |
| 175 | L | 94 | Very high | 92.7 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.7 | -39.5 | 178.6 | -71.9 | 171.6 | 0 | 0 | 0 | 111.7 | S170 V171 G173 M178 E179 T192 C195 R196 V409 | S170-L175 VanDerWaalsContact O-CB 3.31Å; S170-L175 WeakPolarHBondContact O-CB 3.38Å; S170-L175 WeakPolarHBondContact O-CG 3.44Å; S170-L175 PolarHBondContact O-N 2.91Å; V171-L175 HydrophobicContact CG2-CD1 4.34Å; G173-L175 PolarHBondContact O-N 3.03Å; L175-M178 PolarHBondContact O-N 2.76Å; L175-E179 WeakPolarHBondContact O-CG 3.28Å; L175-E179 PolarHBondContact O-N 3.41Å; L175-T192 HydrophobicContact CB-CG2 4.49Å; L175-T192 HydrophobicContact CD2-CG2 3.95Å; L175-T192 WeakPolarHBondContact O-CG2 3.22Å; L175-C195 HydrophobicContact CD1-CB 4.38Å; L175-C195 HydrophobicContact CD2-CB 3.81Å; L175-R196 HydrophobicContact CD1-CB 4.29Å; L175-V409 HydrophobicContact CD2-CG1 4.44Å; L175-V409 HydrophobicContact CD2-CG2 4.12Å; L175-V409 HydrophobicContact CG-CG2 4.05Å |
| 176 | S | 93.9 | Very high | 92.6 | Very high | 52 Ų | 52 | 50.4 Ų | 50.4 | 36% | 0.364 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 176.1 | -160.6 | 0 | 0 | 0 | 0 | 111.9 | G173 E179 E180 | G173-S176 WeakPolarHBondContact O-CB 3.23Å; G173-S176 PolarHBondContact O-N 3.1Å; G173-S176 VanDerWaalsContact O-N 3.11Å; S176-E179 PolarHBondContact O-N 2.83Å; S176-E180 PolarHBondContact O-N 2.64Å |
| 177 | S | 93.5 | Very high | 92.5 | Very high | 46 Ų | 46 | 54.1 Ų | 54.1 | 32% | 0.322 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 174 | 178.5 | 0 | 0 | 0 | 0 | 111.8 | G173 P174 E179 E180 M181 S405 | G173-S177 PolarHBondContact O-N 3.26Å; P174-S177 PolarHBondContact O-N 3.39Å; S177-E179 VanDerWaalsContact C-N 3.34Å; S177-E179 PolarHBondContact O-N 3.44Å; S177-E180 PolarHBondContact O-N 3.32Å; S177-M181 WeakPolarHBondContact O-CG 3.29Å; S177-M181 PolarHBondContact O-N 3.41Å; S177-S405 PolarHBondContact OG-OG 3.41Å |
| 178 | M | 92.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 55.1 Ų | 55.1 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.2 | -35.6 | 176.5 | -72.2 | 171.4 | 63.8 | 0 | 0 | 112.9 | P174 L175 M181 F182 T192 L391 L406 V409 | P174-M178 VanDerWaalsContact O-CG 3.3Å; P174-M178 WeakPolarHBondContact O-CG 3.44Å; P174-M178 PolarHBondContact O-N 3.11Å; L175-M178 PolarHBondContact O-N 2.76Å; M178-M181 HydrophobicContact CG-CE 4.09Å; M178-M181 PolarHBondContact O-N 2.88Å; M178-F182 HydrophobicContact CB-CD2 4.4Å; M178-F182 HydrophobicContact CB-CE2 4.11Å; M178-F182 HydrophobicContact CE-CE2 3.78Å; M178-F182 HydrophobicContact CE-CZ 4.26Å; M178-F182 WeakPolarHBondContact O-CB 3.4Å; M178-F182 VanDerWaalsContact O-CD2 3.22Å; M178-F182 WeakPolarHBondContact O-CD2 3.31Å; M178-F182 VanDerWaalsContact O-CG 3.28Å; M178-F182 WeakPolarHBondContact O-CG 3.49Å; M178-F182 PolarHBondContact O-N 3.32Å; M178-T192 HydrophobicContact CB-CG2 3.69Å; M178-L391 HydrophobicContact CE-CD1 3.81Å; M178-L406 HydrophobicContact CE-CB 4.48Å; M178-L406 HydrophobicContact CE-CD1 3.55Å; M178-L406 HydrophobicContact SD-CB 4.39Å; M178-L406 HydrophobicContact SD-CD1 4.24Å; M178-V409 HydrophobicContact SD-CG2 4.42Å |
| 179 | E | 93.9 | Very high | 92.2 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 15% | 0.15 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63 | -40.1 | 174.6 | -74.5 | -171.2 | -142.7 | 0 | 0 | 112.4 | L175 S176 S177 S183 T192 R193 R196 | L175-E179 WeakPolarHBondContact O-CG 3.28Å; L175-E179 PolarHBondContact O-N 3.41Å; S176-E179 PolarHBondContact O-N 2.83Å; S177-E179 VanDerWaalsContact C-N 3.34Å; S177-E179 PolarHBondContact O-N 3.44Å; E179-S183 PolarHBondContact O-N 3.38Å; E179-T192 HydrophobicContact CG-CG2 3.67Å; E179-R193 HydrophobicContact CG-CG 4.14Å; E179-R193 WeakPolarHBondContact OE2-CG 3.45Å; E179-R193 IonicContact OE2-NE 3.26Å; E179-R193 PolarHBondContact OE2-NE 2.58Å; E179-R196 WeakPolarHBondContact OE1-CD 3.21Å; E179-R196 IonicContact OE1-NH1 3.09Å |
| 180 | E | 92.5 | Very high | 92.2 | Very high | 151 Ų | 151 | 50 Ų | 50 | 71% | 0.706 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.7 | -45.4 | 176 | -171.7 | 177.3 | -177.9 | 0 | 0 | 111.3 | S176 S177 F182 S183 | S176-E180 PolarHBondContact O-N 2.64Å; S177-E180 PolarHBondContact O-N 3.32Å; E180-F182 VanDerWaalsContact C-N 3.34Å; E180-F182 PolarHBondContact O-N 3.19Å; E180-S183 VanDerWaalsContact O-CB 3.31Å; E180-S183 WeakPolarHBondContact O-CB 3.23Å; E180-S183 PolarHBondContact O-N 3.12Å; E180-S183 PolarHBondContact O-OG 2.94Å |
| 181 | M | 92 | Very high | 92.1 | Very high | 49 Ų | 49 | 50.5 Ų | 50.5 | 24% | 0.241 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -64 | -35.4 | 178.4 | -72.1 | -172.6 | -75.4 | 0 | 0 | 113.2 | S177 M178 F399 K401 A402 | S177-M181 WeakPolarHBondContact O-CG 3.29Å; S177-M181 PolarHBondContact O-N 3.41Å; M178-M181 HydrophobicContact CG-CE 4.09Å; M178-M181 PolarHBondContact O-N 2.88Å; M181-F399 WeakPolarHBondContact O-CE1 3.34Å; M181-K401 HydrophobicContact SD-CB 4.05Å; M181-A402 HydrophobicContact CE-CB 3.76Å; M181-A402 HydrophobicContact SD-CB 4.07Å |
| 182 | F | 93.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | 8.9 | -179.9 | -59.5 | -31.1 | 0 | 0 | 0 | 114.4 | M178 E180 G184 S185 F188 L189 T192 L391 A395 F399 A402 | M178-F182 HydrophobicContact CB-CD2 4.4Å; M178-F182 HydrophobicContact CB-CE2 4.11Å; M178-F182 HydrophobicContact CE-CE2 3.78Å; M178-F182 HydrophobicContact CE-CZ 4.26Å; M178-F182 WeakPolarHBondContact O-CB 3.4Å; M178-F182 VanDerWaalsContact O-CD2 3.22Å; M178-F182 WeakPolarHBondContact O-CD2 3.31Å; M178-F182 VanDerWaalsContact O-CG 3.28Å; M178-F182 WeakPolarHBondContact O-CG 3.49Å; M178-F182 PolarHBondContact O-N 3.32Å; E180-F182 VanDerWaalsContact C-N 3.34Å; E180-F182 PolarHBondContact O-N 3.19Å; F182-G184 PolarHBondContact O-N 3.4Å; F182-S185 CarbonylContact O-C 3.32Å; F182-S185 PolarHBondContact O-N 3.33Å; F182-F188 HydrophobicContact CB-CB 4.03Å; F182-F188 HydrophobicContact CD1-CB 4.08Å; F182-F188 HydrophobicContact CD2-CB 3.72Å; F182-F188 HydrophobicContact CE1-CB 4.49Å; F182-F188 HydrophobicContact CE2-CB 4.16Å; F182-F188 HydrophobicContact CG-CB 3.69Å; F182-L189 HydrophobicContact CB-CB 4.04Å; F182-T192 VanDerWaalsContact CD2-OG1 3.27Å; F182-T192 WeakPolarHBondContact CD2-OG1 3.25Å; F182-T192 WeakPolarHBondContact CE2-OG1 3.31Å; F182-L391 HydrophobicContact CD2-CD2 4.43Å; F182-L391 HydrophobicContact CE2-CD2 3.8Å; F182-L391 HydrophobicContact CZ-CD2 4.35Å; F182-A395 HydrophobicContact CE1-CB 3.98Å; F182-A395 HydrophobicContact CZ-CB 3.79Å; F182-F399 HydrophobicContact CD1-CB 4.33Å; F182-F399 HydrophobicContact CD1-CD1 4.28Å; F182-F399 AromaticContact CD1-CD2 3.9Å; F182-F399 HydrophobicContact CD1-CD2 3.9Å; F182-F399 HydrophobicContact CD1-CE2 4.29Å; F182-F399 AromaticContact CD1-CG 3.91Å; F182-F399 HydrophobicContact CD1-CG 3.91Å; F182-F399 HydrophobicContact CE1-CB 3.75Å; F182-F399 AromaticContact CE1-CD2 3.89Å; F182-F399 HydrophobicContact CE1-CD2 3.89Å; F182-F399 AromaticContact CE1-CG 3.82Å; F182-F399 HydrophobicContact CE1-CG 3.82Å; F182-A402 HydrophobicContact CE1-CB 4.05Å; F182-A402 HydrophobicContact CZ-CB 3.96Å |
| 183 | S | 88.2 | Confident | 92.2 | Very high | 92 Ų | 92 | 52.4 Ų | 52.4 | 64% | 0.643 | 31% | 0.305 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.7 | -33.4 | 178.4 | 54.7 | 0 | 0 | 0 | 0 | 114.2 | E179 E180 | E179-S183 PolarHBondContact O-N 3.38Å; E180-S183 VanDerWaalsContact O-CB 3.31Å; E180-S183 WeakPolarHBondContact O-CB 3.23Å; E180-S183 PolarHBondContact O-N 3.12Å; E180-S183 PolarHBondContact O-OG 2.94Å |
| 184 | G | 85.2 | Confident | 92.2 | Very high | 75 Ų | 75 | 53.2 Ų | 53.2 | 77% | 0.773 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -11.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | F182 | F182-G184 PolarHBondContact O-N 3.4Š|
| 185 | S | 89.6 | Confident | 92.3 | Very high | 18 Ų | 18 | 52.6 Ų | 52.6 | 13% | 0.126 | 30% | 0.297 | C | S | . | . | trans | -126.7 | 99.4 | -176.9 | -177.1 | 0 | 0 | 0 | 0 | 111.8 | F182 P187 F188 L189 | F182-S185 CarbonylContact O-C 3.32Å; F182-S185 PolarHBondContact O-N 3.33Å; S185-P187 VanDerWaalsContact C-CD 3.46Å; S185-P187 WeakPolarHBondContact OG-CD 3.38Å; S185-F188 PolarHBondContact O-N 2.67Å; S185-F188 WeakPolarHBondContact OG-CD2 3.11Å; S185-F188 WeakPolarHBondContact OG-CE2 3.4Å; S185-L189 WeakPolarHBondContact O-CB 3.36Å; S185-L189 PolarHBondContact O-N 2.93Å; S185-L189 VanDerWaalsContact O-N 3.11Å | ||
| 186 | K | 90.1 | Very high | 92.4 | Very high | 178 Ų | 178 | 55.8 Ų | 55.8 | 77% | 0.774 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -47.7 | -48.3 | 177.6 | -67.9 | -175.7 | 179.9 | 178.5 | 0 | 114.5 | F188 V190 | K186-F188 PolarHBondContact O-N 3.41Å; K186-V190 VanDerWaalsContact O-CG2 3.29Å; K186-V190 WeakPolarHBondContact O-CG2 3.43Å; K186-V190 PolarHBondContact O-N 3.42Å |
| 187 | P | 90.3 | Very high | 92.5 | Very high | 91 Ų | 91 | 59.5 Ų | 59.5 | 59% | 0.591 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -65.1 | -37.5 | -175.7 | 24.2 | -34.3 | 0 | 0 | 0 | 113.5 | S185 S191 | S185-P187 VanDerWaalsContact C-CD 3.46Å; S185-P187 WeakPolarHBondContact OG-CD 3.38Å; P187-S191 PolarHBondContact O-N 3.49Å |
| 188 | F | 90.9 | Very high | 92.6 | Very high | 21 Ų | 21 | 58 Ų | 58 | 9% | 0.092 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -75.4 | -40.7 | 179.9 | -55.3 | -41.3 | 0 | 0 | 0 | 111.7 | F182 S185 K186 V190 S191 T192 L391 N394 A395 F399 | F182-F188 HydrophobicContact CB-CB 4.03Å; F182-F188 HydrophobicContact CD1-CB 4.08Å; F182-F188 HydrophobicContact CD2-CB 3.72Å; F182-F188 HydrophobicContact CE1-CB 4.49Å; F182-F188 HydrophobicContact CE2-CB 4.16Å; F182-F188 HydrophobicContact CG-CB 3.69Å; S185-F188 PolarHBondContact O-N 2.67Å; S185-F188 WeakPolarHBondContact OG-CD2 3.11Å; S185-F188 WeakPolarHBondContact OG-CE2 3.4Å; K186-F188 PolarHBondContact O-N 3.41Å; F188-V190 VanDerWaalsContact C-N 3.34Å; F188-V190 PolarHBondContact O-N 2.83Å; F188-S191 PolarHBondContact O-N 2.9Å; F188-S191 VanDerWaalsContact O-N 3.15Å; F188-T192 PolarHBondContact O-N 3.39Å; F188-T192 PolarHBondContact O-OG1 2.88Å; F188-L391 HydrophobicContact CB-CD2 3.88Å; F188-L391 HydrophobicContact CD1-CD2 4.07Å; F188-L391 HydrophobicContact CG-CD2 4.34Å; F188-N394 HydrophobicContact CE1-CB 3.9Å; F188-N394 HydrophobicContact CZ-CB 4.42Å; F188-N394 WeakPolarHBondContact CZ-O 3.44Å; F188-A395 HydrophobicContact CB-CB 4.37Å; F188-A395 HydrophobicContact CD1-CB 3.69Å; F188-A395 HydrophobicContact CD2-CB 3.94Å; F188-A395 HydrophobicContact CE1-CB 3.89Å; F188-A395 HydrophobicContact CE2-CB 4.14Å; F188-A395 HydrophobicContact CG-CB 3.73Å; F188-A395 HydrophobicContact CZ-CB 4.12Å; F188-F399 HydrophobicContact CD2-CD2 4.16Å; F188-F399 AromaticContact CD2-CE2 3.83Å; F188-F399 HydrophobicContact CD2-CE2 3.83Å; F188-F399 HydrophobicContact CE2-CD2 4.32Å; F188-F399 AromaticContact CE2-CE2 3.99Å; F188-F399 HydrophobicContact CE2-CE2 3.99Å |
| 189 | L | 93.6 | Very high | 92.7 | Very high | 23 Ų | 23 | 58 Ų | 58 | 12% | 0.12 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.8 | -40 | 176.5 | 177.9 | 154.6 | 0 | 0 | 0 | 112.3 | F182 S185 T192 R193 | F182-L189 HydrophobicContact CB-CB 4.04Å; S185-L189 WeakPolarHBondContact O-CB 3.36Å; S185-L189 PolarHBondContact O-N 2.93Å; S185-L189 VanDerWaalsContact O-N 3.11Å; L189-T192 PolarHBondContact O-N 3.41Å; L189-R193 HydrophobicContact CD2-CG 4.45Å; L189-R193 VanDerWaalsContact CD2-CZ 3.4Å; L189-R193 WeakPolarHBondContact O-CB 3.38Å; L189-R193 WeakPolarHBondContact O-CG 3.3Å; L189-R193 PolarHBondContact O-N 2.58Å |
| 190 | V | 93.5 | Very high | 92.8 | Very high | 78 Ų | 78 | 60 Ų | 60 | 47% | 0.473 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -62.4 | -43 | 173.9 | 170.4 | 0 | 0 | 0 | 0 | 111.1 | K186 F188 R193 N194 | K186-V190 VanDerWaalsContact O-CG2 3.29Å; K186-V190 WeakPolarHBondContact O-CG2 3.43Å; K186-V190 PolarHBondContact O-N 3.42Å; F188-V190 VanDerWaalsContact C-N 3.34Å; F188-V190 PolarHBondContact O-N 2.83Å; V190-R193 PolarHBondContact O-N 3.31Å; V190-N194 WeakPolarHBondContact O-CB 3.47Å; V190-N194 VanDerWaalsContact O-CG 3.28Å; V190-N194 PolarHBondContact O-N 3Å; V190-N194 PolarHBondContact O-ND2 3.24Å |
| 191 | S | 93.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 55.4 Ų | 55.4 | 8% | 0.077 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 178.2 | -160.3 | 0 | 0 | 0 | 0 | 111.9 | P187 F188 N194 C195 H387 | P187-S191 PolarHBondContact O-N 3.49Å; F188-S191 PolarHBondContact O-N 2.9Å; F188-S191 VanDerWaalsContact O-N 3.15Å; S191-N194 WeakPolarHBondContact O-CB 3.27Å; S191-N194 PolarHBondContact O-N 3.13Å; S191-C195 PolarHBondContact O-N 3.44Å; S191-C195 PolarHBondContact O-SG 2.86Å; S191-H387 PolarHBondContact OG-ND1 2.84Å; S191-H387 VanDerWaalsContact OG-ND1 3.16Å; S191-H387 PolarHBondContact OG-O 2.94Å |
| 192 | T | 93.7 | Very high | 93 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.9 | -42.9 | 176.9 | -55.1 | 0 | 0 | 0 | 0 | 112.3 | L175 M178 E179 F182 F188 L189 N194 C195 R196 | L175-T192 HydrophobicContact CB-CG2 4.49Å; L175-T192 HydrophobicContact CD2-CG2 3.95Å; L175-T192 WeakPolarHBondContact O-CG2 3.22Å; M178-T192 HydrophobicContact CB-CG2 3.69Å; E179-T192 HydrophobicContact CG-CG2 3.67Å; F182-T192 VanDerWaalsContact CD2-OG1 3.27Å; F182-T192 WeakPolarHBondContact CD2-OG1 3.25Å; F182-T192 WeakPolarHBondContact CE2-OG1 3.31Å; F188-T192 PolarHBondContact O-N 3.39Å; F188-T192 PolarHBondContact O-OG1 2.88Å; L189-T192 PolarHBondContact O-N 3.41Å; T192-N194 VanDerWaalsContact C-N 3.31Å; T192-N194 PolarHBondContact O-N 2.76Å; T192-C195 WeakPolarHBondContact O-CB 3.24Å; T192-C195 PolarHBondContact O-N 3.21Å; T192-R196 PolarHBondContact O-N 2.99Å |
| 193 | R | 94.1 | Very high | 93.1 | Very high | 133 Ų | 133 | 53.8 Ų | 53.8 | 50% | 0.502 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -63.9 | -35.8 | 175.4 | -76.1 | -176.1 | -179.9 | 164.3 | 2.9 | 112.8 | E179 L189 V190 R196 R197 | E179-R193 HydrophobicContact CG-CG 4.14Å; E179-R193 WeakPolarHBondContact OE2-CG 3.45Å; E179-R193 IonicContact OE2-NE 3.26Å; E179-R193 PolarHBondContact OE2-NE 2.58Å; L189-R193 HydrophobicContact CD2-CG 4.45Å; L189-R193 VanDerWaalsContact CD2-CZ 3.4Å; L189-R193 WeakPolarHBondContact O-CB 3.38Å; L189-R193 WeakPolarHBondContact O-CG 3.3Å; L189-R193 PolarHBondContact O-N 2.58Å; V190-R193 PolarHBondContact O-N 3.31Å; R193-R196 PolarHBondContact O-N 2.7Å; R193-R197 WeakPolarHBondContact O-CB 3.3Å; R193-R197 PolarHBondContact O-N 3.49Å |
| 194 | N | 95.1 | Very high | 93.2 | Very high | 51 Ų | 51 | 54.3 Ų | 54.3 | 27% | 0.273 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.4 | -44 | 173.2 | -75.5 | -24.9 | 0 | 0 | 0 | 111.1 | V190 S191 T192 R196 R197 L198 | V190-N194 WeakPolarHBondContact O-CB 3.47Å; V190-N194 VanDerWaalsContact O-CG 3.28Å; V190-N194 PolarHBondContact O-N 3Å; V190-N194 PolarHBondContact O-ND2 3.24Å; S191-N194 WeakPolarHBondContact O-CB 3.27Å; S191-N194 PolarHBondContact O-N 3.13Å; T192-N194 VanDerWaalsContact C-N 3.31Å; T192-N194 PolarHBondContact O-N 2.76Å; N194-R196 VanDerWaalsContact C-N 3.34Å; N194-R196 PolarHBondContact O-N 3.24Å; N194-R197 PolarHBondContact O-N 2.9Å; N194-L198 WeakPolarHBondContact O-CB 3.46Å; N194-L198 WeakPolarHBondContact O-CD1 3.4Å; N194-L198 WeakPolarHBondContact O-CG 3.15Å; N194-L198 PolarHBondContact O-N 2.95Å |
| 195 | C | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -55.8 | -49.1 | 172.8 | -67 | 0 | 0 | 0 | 0 | 111.3 | L175 S191 T192 R197 L198 S199 I384 H387 | L175-C195 HydrophobicContact CD1-CB 4.38Å; L175-C195 HydrophobicContact CD2-CB 3.81Å; S191-C195 PolarHBondContact O-N 3.44Å; S191-C195 PolarHBondContact O-SG 2.86Å; T192-C195 WeakPolarHBondContact O-CB 3.24Å; T192-C195 PolarHBondContact O-N 3.21Å; C195-R197 PolarHBondContact O-N 3.37Å; C195-L198 PolarHBondContact O-N 3.17Å; C195-S199 PolarHBondContact O-N 3.34Å; C195-S199 PolarHBondContact O-OG 3.35Å; C195-S199 VanDerWaalsContact O-OG 3.11Å; C195-I384 HydrophobicContact CB-CG2 4.19Å; C195-H387 WeakPolarHBondContact SG-CB 3.09Å |
| 196 | R | 95.7 | Very high | 93.6 | Very high | 67 Ų | 67 | 51.3 Ų | 51.3 | 25% | 0.253 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.1 | -54 | 179 | -172.8 | -174.4 | -175.3 | 119 | 7.8 | 112.6 | V171 L175 E179 T192 R193 N194 L198 S199 E200 | V171-R196 HydrophobicContact CG1-CG 3.96Å; V171-R196 HydrophobicContact CG2-CG 4.29Å; V171-R196 PolarHBondContact O-NH1 3.03Å; L175-R196 HydrophobicContact CD1-CB 4.29Å; E179-R196 WeakPolarHBondContact OE1-CD 3.21Å; E179-R196 IonicContact OE1-NH1 3.09Å; T192-R196 PolarHBondContact O-N 2.99Å; R193-R196 PolarHBondContact O-N 2.7Å; N194-R196 VanDerWaalsContact C-N 3.34Å; N194-R196 PolarHBondContact O-N 3.24Å; R196-L198 VanDerWaalsContact C-N 3.28Å; R196-L198 PolarHBondContact O-N 2.91Å; R196-S199 WeakPolarHBondContact O-CB 3.27Å; R196-S199 PolarHBondContact O-N 3.32Å; R196-S199 VanDerWaalsContact O-N 3.17Å; R196-E200 IonicContact NE-OE1 2.63Å; R196-E200 PolarHBondContact NE-OE1 2.83Å; R196-E200 VanDerWaalsContact NE-OE1 3.09Å; R196-E200 WeakPolarHBondContact O-CG 3.35Å; R196-E200 PolarHBondContact O-N 3.04Å |
| 197 | R | 95.7 | Very high | 93.4 | Very high | 130 Ų | 130 | 45 Ų | 45 | 49% | 0.491 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.7 | -38.8 | -179.7 | -171 | -170.8 | 68.4 | 80.8 | 5.1 | 111.8 | R193 N194 C195 N201 | R193-R197 WeakPolarHBondContact O-CB 3.3Å; R193-R197 PolarHBondContact O-N 3.49Å; N194-R197 PolarHBondContact O-N 2.9Å; C195-R197 PolarHBondContact O-N 3.37Å; R197-N201 PolarHBondContact NH1-ND2 2.93Å; R197-N201 VanDerWaalsContact NH1-ND2 3.18Å; R197-N201 PolarHBondContact O-N 3.47Å; R197-N201 PolarHBondContact O-ND2 2.93Å; R197-N201 VanDerWaalsContact O-ND2 3.15Å; R197-N201 PolarHBondContact O-OD1 3.48Å |
| 198 | L | 96.2 | Very high | 93.1 | Very high | 16 Ų | 16 | 43 Ų | 43 | 8% | 0.084 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.5 | -41.6 | 176.9 | -71.9 | 166.4 | 0 | 0 | 0 | 111.5 | N194 C195 R196 N201 V202 A380 S383 I384 | N194-L198 WeakPolarHBondContact O-CB 3.46Å; N194-L198 WeakPolarHBondContact O-CD1 3.4Å; N194-L198 WeakPolarHBondContact O-CG 3.15Å; N194-L198 PolarHBondContact O-N 2.95Å; C195-L198 PolarHBondContact O-N 3.17Å; R196-L198 VanDerWaalsContact C-N 3.28Å; R196-L198 PolarHBondContact O-N 2.91Å; L198-N201 WeakPolarHBondContact O-CB 3.29Å; L198-N201 PolarHBondContact O-N 3.43Å; L198-V202 WeakPolarHBondContact O-CG2 3.34Å; L198-V202 PolarHBondContact O-N 3.45Å; L198-A380 HydrophobicContact CD2-CB 4.03Å; L198-S383 WeakPolarHBondContact CD1-OG 3.3Å; L198-I384 HydrophobicContact CB-CD1 3.74Å; L198-I384 HydrophobicContact CB-CG1 3.47Å; L198-I384 VanDerWaalsContact CB-CG1 3.47Å; L198-I384 HydrophobicContact CD1-CG1 3.94Å; L198-I384 HydrophobicContact CG-CG1 4.36Å |
| 199 | S | 95.5 | Very high | 92.6 | Very high | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.007 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 174.6 | -62.9 | 0 | 0 | 0 | 0 | 111.7 | C195 R196 N201 V202 I203 | C195-S199 PolarHBondContact O-N 3.34Å; C195-S199 PolarHBondContact O-OG 3.35Å; C195-S199 VanDerWaalsContact O-OG 3.11Å; R196-S199 WeakPolarHBondContact O-CB 3.27Å; R196-S199 PolarHBondContact O-N 3.32Å; R196-S199 VanDerWaalsContact O-N 3.17Å; S199-N201 VanDerWaalsContact C-N 3.31Å; S199-N201 PolarHBondContact O-N 3.37Å; S199-V202 PolarHBondContact O-N 3.22Å; S199-I203 WeakPolarHBondContact O-CD1 3.38Å; S199-I203 WeakPolarHBondContact O-CG1 3.42Å; S199-I203 PolarHBondContact O-N 3.44Å |
| 200 | E | 95.3 | Very high | 91.4 | Very high | 72 Ų | 72 | 42.9 Ų | 42.9 | 34% | 0.336 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -60.3 | -39.1 | 175 | -71 | 169.3 | -178.3 | 0 | 0 | 111.9 | V171 R196 I203 N204 | V171-E200 HydrophobicContact CG1-CG 4.12Å; V171-E200 WeakPolarHBondContact CG1-OE1 3.31Å; V171-E200 HydrophobicContact CG2-CG 4.16Å; R196-E200 IonicContact NE-OE1 2.63Å; R196-E200 PolarHBondContact NE-OE1 2.83Å; R196-E200 VanDerWaalsContact NE-OE1 3.09Å; R196-E200 WeakPolarHBondContact O-CG 3.35Å; R196-E200 PolarHBondContact O-N 3.04Å; E200-I203 PolarHBondContact O-N 3.05Å; E200-N204 PolarHBondContact O-N 3.45Å; E200-N204 PolarHBondContact O-ND2 3.4Å |
| 201 | N | 95 | Very high | 89.1 | Confident | 56 Ų | 56 | 44.9 Ų | 44.9 | 30% | 0.299 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.3 | -42.6 | 174 | -67.6 | -26 | 0 | 0 | 0 | 112.4 | R197 L198 S199 I203 N204 L205 | R197-N201 PolarHBondContact NH1-ND2 2.93Å; R197-N201 VanDerWaalsContact NH1-ND2 3.18Å; R197-N201 PolarHBondContact O-N 3.47Å; R197-N201 PolarHBondContact O-ND2 2.93Å; R197-N201 VanDerWaalsContact O-ND2 3.15Å; R197-N201 PolarHBondContact O-OD1 3.48Å; L198-N201 WeakPolarHBondContact O-CB 3.29Å; L198-N201 PolarHBondContact O-N 3.43Å; S199-N201 VanDerWaalsContact C-N 3.31Å; S199-N201 PolarHBondContact O-N 3.37Å; N201-I203 VanDerWaalsContact C-N 3.33Å; N201-N204 PolarHBondContact O-N 3.4Å; N201-L205 VanDerWaalsContact O-CG 3.3Å; N201-L205 WeakPolarHBondContact O-CG 3.46Å; N201-L205 PolarHBondContact O-N 2.86Å |
| 202 | V | 94.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 177.1 | 175.3 | 0 | 0 | 0 | 0 | 110.6 | L167 L198 S199 N204 L205 L206 A380 L381 | L167-V202 HydrophobicContact CD1-CB 3.83Å; L167-V202 HydrophobicContact CD1-CG1 3.49Å; L167-V202 VanDerWaalsContact CD1-CG1 3.49Å; L198-V202 WeakPolarHBondContact O-CG2 3.34Å; L198-V202 PolarHBondContact O-N 3.45Å; S199-V202 PolarHBondContact O-N 3.22Å; V202-N204 VanDerWaalsContact C-N 3.33Å; V202-N204 PolarHBondContact O-N 3.43Å; V202-L205 PolarHBondContact O-N 3.01Å; V202-L206 HydrophobicContact CG1-CD1 3.81Å; V202-L206 HydrophobicContact CG1-CG 4.2Å; V202-L206 WeakPolarHBondContact O-CG 3.31Å; V202-L206 PolarHBondContact O-N 2.74Å; V202-A380 HydrophobicContact CG2-CB 3.52Å; V202-L381 HydrophobicContact CG1-CD2 4.45Å; V202-L381 HydrophobicContact CG1-CG 4.5Å; V202-L381 HydrophobicContact CG2-CD2 4.33Å; V202-L381 HydrophobicContact CG2-CG 4.19Å |
| 203 | I | 93.8 | Very high | 85.2 | Confident | 16 Ų | 16 | 49 Ų | 49 | 8% | 0.082 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56 | -48.4 | 175.1 | -70.1 | 159.2 | 0 | 0 | 0 | 110.7 | I164 L167 Q168 S199 E200 N201 L205 L206 S207 | I164-I203 HydrophobicContact CG2-CG2 4.07Å; L167-I203 HydrophobicContact CB-CD1 3.74Å; L167-I203 HydrophobicContact CB-CG1 3.72Å; L167-I203 HydrophobicContact CD1-CG1 4.19Å; Q168-I203 HydrophobicContact CB-CD1 4.5Å; Q168-I203 HydrophobicContact CG-CD1 3.68Å; Q168-I203 HydrophobicContact CG-CG1 4.38Å; S199-I203 WeakPolarHBondContact O-CD1 3.38Å; S199-I203 WeakPolarHBondContact O-CG1 3.42Å; S199-I203 PolarHBondContact O-N 3.44Å; E200-I203 PolarHBondContact O-N 3.05Å; N201-I203 VanDerWaalsContact C-N 3.33Å; I203-L205 PolarHBondContact O-N 3.41Å; I203-L206 PolarHBondContact O-N 2.85Å; I203-S207 WeakPolarHBondContact O-CB 3.31Å; I203-S207 PolarHBondContact O-N 2.86Å; I203-S207 PolarHBondContact O-OG 3.22Å |
| 204 | N | 92.1 | Very high | 82.5 | Confident | 104 Ų | 104 | 44.7 Ų | 44.7 | 56% | 0.556 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -66.7 | -34.6 | 179.8 | -69.8 | -28.9 | 0 | 0 | 0 | 113.3 | E200 N201 V202 S207 S208 | E200-N204 PolarHBondContact O-N 3.45Å; E200-N204 PolarHBondContact O-ND2 3.4Å; N201-N204 PolarHBondContact O-N 3.4Å; V202-N204 VanDerWaalsContact C-N 3.33Å; V202-N204 PolarHBondContact O-N 3.43Å; N204-S207 WeakPolarHBondContact CA-OG 3.47Å; N204-S207 PolarHBondContact O-OG 3.08Å; N204-S208 PolarHBondContact O-N 3.22Å |
| 205 | L | 91.9 | Very high | 79.6 | Confident | 30 Ų | 30 | 44.9 Ų | 44.9 | 16% | 0.157 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.7 | -47.1 | 176.6 | -72.8 | 168.1 | 0 | 0 | 0 | 111.1 | N201 V202 I203 S208 L373 Q376 S377 | N201-L205 VanDerWaalsContact O-CG 3.3Å; N201-L205 WeakPolarHBondContact O-CG 3.46Å; N201-L205 PolarHBondContact O-N 2.86Å; V202-L205 PolarHBondContact O-N 3.01Å; I203-L205 PolarHBondContact O-N 3.41Å; L205-S208 PolarHBondContact O-N 2.86Å; L205-S208 PolarHBondContact O-OG 3.3Å; L205-L373 HydrophobicContact CD2-CG 4.49Å; L205-Q376 HydrophobicContact CD1-CB 3.69Å; L205-S377 WeakPolarHBondContact CB-OG 3.49Å |
| 206 | L | 89.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 46.5 Ų | 46.5 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -68.9 | -35.5 | -179.8 | -68 | 178.6 | 0 | 0 | 0 | 112.4 | I160 T163 I164 V202 I203 S208 I209 S210 F420 L423 | I160-L206 HydrophobicContact CG2-CB 4.29Å; T163-L206 HydrophobicContact CG2-CD1 3.36Å; I164-L206 HydrophobicContact CD1-CB 4.24Å; I164-L206 HydrophobicContact CG1-CB 4.19Å; V202-L206 HydrophobicContact CG1-CD1 3.81Å; V202-L206 HydrophobicContact CG1-CG 4.2Å; V202-L206 WeakPolarHBondContact O-CG 3.31Å; V202-L206 PolarHBondContact O-N 2.74Å; I203-L206 PolarHBondContact O-N 2.85Å; L206-S208 PolarHBondContact O-N 2.84Å; L206-I209 HydrophobicContact CD2-CD1 4.06Å; L206-I209 WeakPolarHBondContact O-CB 3.48Å; L206-I209 PolarHBondContact O-N 3.47Å; L206-I209 VanDerWaalsContact O-N 3.12Å; L206-S210 PolarHBondContact O-N 3.39Å; L206-S210 VanDerWaalsContact O-N 3.13Å; L206-F420 HydrophobicContact CD2-CD2 4.41Å; L206-F420 HydrophobicContact CD2-CE2 4.12Å; L206-L423 HydrophobicContact CD2-CD2 3.95Å |
| 207 | S | 87.1 | Confident | 74.5 | Confident | 44 Ų | 44 | 50.3 Ų | 50.3 | 31% | 0.308 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62 | -33.4 | 175.2 | 69.1 | 0 | 0 | 0 | 0 | 111.8 | I203 N204 I209 S210 L211 | I203-S207 WeakPolarHBondContact O-CB 3.31Å; I203-S207 PolarHBondContact O-N 2.86Å; I203-S207 PolarHBondContact O-OG 3.22Å; N204-S207 WeakPolarHBondContact CA-OG 3.47Å; N204-S207 PolarHBondContact O-OG 3.08Å; S207-I209 VanDerWaalsContact C-N 3.33Å; S207-I209 PolarHBondContact O-N 3.31Å; S207-S210 CarbonylContact O-C 3.58Å; S207-S210 PolarHBondContact O-N 2.98Å; S207-L211 VanDerWaalsContact O-CB 3.31Å; S207-L211 WeakPolarHBondContact O-CB 3.3Å; S207-L211 PolarHBondContact O-N 3.17Å |
| 208 | S | 82.6 | Confident | 71.3 | Confident | 50 Ų | 50 | 48.4 Ų | 48.4 | 35% | 0.35 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.6 | -26.7 | 175.8 | 71.2 | 0 | 0 | 0 | 0 | 114.1 | N204 L205 L206 L211 A212 L373 | N204-S208 PolarHBondContact O-N 3.22Å; L205-S208 PolarHBondContact O-N 2.86Å; L205-S208 PolarHBondContact O-OG 3.3Å; L206-S208 PolarHBondContact O-N 2.84Å; S208-L211 PolarHBondContact O-N 2.99Å; S208-A212 WeakPolarHBondContact O-CB 3.43Å; S208-A212 PolarHBondContact O-N 2.88Å; S208-L373 WeakPolarHBondContact OG-CD2 3.41Å |
| 209 | I | 80.4 | Confident | 68 | Low | 6 Ų | 6 | 50.3 Ų | 50.3 | 3% | 0.031 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.6 | -45.5 | 170.9 | -58.5 | 176.9 | 0 | 0 | 0 | 109.4 | I160 L206 S207 L211 R213 F370 L373 L374 | I160-I209 HydrophobicContact CD1-CB 4.31Å; I160-I209 HydrophobicContact CD1-CG2 3.88Å; L206-I209 HydrophobicContact CD2-CD1 4.06Å; L206-I209 WeakPolarHBondContact O-CB 3.48Å; L206-I209 PolarHBondContact O-N 3.47Å; L206-I209 VanDerWaalsContact O-N 3.12Å; S207-I209 VanDerWaalsContact C-N 3.33Å; S207-I209 PolarHBondContact O-N 3.31Å; I209-L211 VanDerWaalsContact C-N 3.31Å; I209-L211 PolarHBondContact O-N 3.13Å; I209-R213 PolarHBondContact O-N 3.38Å; I209-F370 HydrophobicContact CG1-CD1 4.14Å; I209-F370 HydrophobicContact CG2-CD1 3.94Å; I209-F370 HydrophobicContact CG2-CE1 3.98Å; I209-L373 HydrophobicContact CD1-CB 4.24Å; I209-L373 HydrophobicContact CD1-CD2 4.27Å; I209-L373 HydrophobicContact CG1-CB 4.38Å; I209-L373 HydrophobicContact CG1-CD2 3.53Å; I209-L374 HydrophobicContact CD1-CD2 4.18Å |
| 210 | S | 68.3 | Low | 64.9 | Low | 36 Ų | 36 | 57.4 Ų | 57.4 | 25% | 0.252 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.3 | -38.6 | 173.7 | 176.8 | 0 | 0 | 0 | 0 | 111 | L206 S207 R213 S214 | L206-S210 PolarHBondContact O-N 3.39Å; L206-S210 VanDerWaalsContact O-N 3.13Å; S207-S210 CarbonylContact O-C 3.58Å; S207-S210 PolarHBondContact O-N 2.98Å; S210-R213 CarbonylContact O-C 3.57Å; S210-R213 WeakPolarHBondContact O-CA 3.28Å; S210-R213 VanDerWaalsContact O-CB 3.27Å; S210-R213 WeakPolarHBondContact O-CB 3.31Å; S210-R213 PolarHBondContact O-N 3.1Å; S210-S214 WeakPolarHBondContact O-CA 3.32Å; S210-S214 VanDerWaalsContact O-CB 3.3Å; S210-S214 WeakPolarHBondContact O-CB 3.42Å; S210-S214 PolarHBondContact O-N 3.35Å |
| 211 | L | 46.8 | Very low | 61.7 | Low | 120 Ų | 120 | 57.1 Ų | 57.1 | 63% | 0.628 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -74.6 | -33.4 | -177 | -150.2 | 151.1 | 0 | 0 | 0 | 113.5 | S207 S208 I209 R213 S214 | S207-L211 VanDerWaalsContact O-CB 3.31Å; S207-L211 WeakPolarHBondContact O-CB 3.3Å; S207-L211 PolarHBondContact O-N 3.17Å; S208-L211 PolarHBondContact O-N 2.99Å; I209-L211 VanDerWaalsContact C-N 3.31Å; I209-L211 PolarHBondContact O-N 3.13Å; L211-R213 PolarHBondContact O-N 3.38Å; L211-S214 WeakPolarHBondContact CA-OG 3.28Å; L211-S214 PolarHBondContact O-N 3.13Å |
| 212 | A | 49.6 | Very low | 58.7 | Low | 47 Ų | 47 | 62.1 Ų | 62.1 | 39% | 0.388 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61.3 | -18.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S208 | S208-A212 WeakPolarHBondContact O-CB 3.43Å; S208-A212 PolarHBondContact O-N 2.88Å |
| 213 | R | 53.8 | Low | 55.5 | Low | 50 Ų | 50 | 69.6 Ų | 69.6 | 19% | 0.189 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -106.5 | -22.4 | 175.1 | -151.9 | 177.4 | 105.4 | 159.2 | 16.4 | 113.6 | L153 I156 D157 I209 S210 L211 S215 V216 | L153-R213 PolarHBondContact O-NH1 3.41Å; L153-R213 PolarHBondContact O-NH2 2.69Å; I156-R213 VanDerWaalsContact CB-NH1 3.34Å; I156-R213 VanDerWaalsContact CG2-NH1 3.3Å; D157-R213 IonicContact OD1-CZ 3.81Å; D157-R213 IonicContact OD1-NE 3.13Å; D157-R213 PolarHBondContact OD1-NE 3.23Å; D157-R213 IonicContact OD1-NH1 2.9Å; D157-R213 IonicContact OD1-NH2 3.15Å; D157-R213 PolarHBondContact OD1-NH2 3.26Å; D157-R213 VanDerWaalsContact OD1-NH2 3.13Å; D157-R213 IonicContact OD2-CZ 3.92Å; D157-R213 IonicContact OD2-NE 2.58Å; D157-R213 PolarHBondContact OD2-NE 3.12Å; D157-R213 IonicContact OD2-NH2 2.64Å; D157-R213 PolarHBondContact OD2-NH2 2.8Å; I209-R213 PolarHBondContact O-N 3.38Å; S210-R213 CarbonylContact O-C 3.57Å; S210-R213 WeakPolarHBondContact O-CA 3.28Å; S210-R213 VanDerWaalsContact O-CB 3.27Å; S210-R213 WeakPolarHBondContact O-CB 3.31Å; S210-R213 PolarHBondContact O-N 3.1Å; L211-R213 PolarHBondContact O-N 3.38Å; R213-S215 PolarHBondContact O-N 3.09Å; R213-V216 HydrophobicContact CG-CG2 4.44Å; R213-V216 WeakPolarHBondContact O-CB 3.17Å; R213-V216 WeakPolarHBondContact O-CG2 3.18Å; R213-V216 PolarHBondContact O-N 3.31Å |
| 214 | S | 39 | Very low | 52.5 | Low | 43 Ų | 43 | 74.4 Ų | 74.4 | 30% | 0.301 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -90.5 | -1.8 | -171 | 76.4 | 0 | 0 | 0 | 0 | 113 | S210 L211 V216 E217 A218 | S210-S214 WeakPolarHBondContact O-CA 3.32Å; S210-S214 VanDerWaalsContact O-CB 3.3Å; S210-S214 WeakPolarHBondContact O-CB 3.42Å; S210-S214 PolarHBondContact O-N 3.35Å; L211-S214 WeakPolarHBondContact CA-OG 3.28Å; L211-S214 PolarHBondContact O-N 3.13Å; S214-V216 PolarHBondContact O-N 3.36Å; S214-V216 VanDerWaalsContact O-N 3.13Å; S214-E217 PolarHBondContact O-N 2.75Å; S214-A218 PolarHBondContact O-N 2.72Å |
| 215 | S | 34.3 | Very low | 49.3 | Very low | 54 Ų | 54 | 74.1 Ų | 74.1 | 38% | 0.378 | 48% | 0.479 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -16.9 | 151 | 67.4 | 0 | 0 | 0 | 0 | 112.2 | R213 T349 | R213-S215 PolarHBondContact O-N 3.09Å; S215-T349 CarbonylContact C-O 3.43Å; S215-T349 WeakPolarHBondContact CB-O 3.47Å; S215-T349 PolarHBondContact OG-O 3.24Å |
| 216 | V | 45.5 | Very low | 46.4 | Very low | 35 Ų | 35 | 80 Ų | 80 | 21% | 0.212 | 52% | 0.516 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -13.3 | 173.7 | -178.3 | 0 | 0 | 0 | 0 | 113.1 | R213 S214 S254 T257 T349 | R213-V216 HydrophobicContact CG-CG2 4.44Å; R213-V216 WeakPolarHBondContact O-CB 3.17Å; R213-V216 WeakPolarHBondContact O-CG2 3.18Å; R213-V216 PolarHBondContact O-N 3.31Å; S214-V216 PolarHBondContact O-N 3.36Å; S214-V216 VanDerWaalsContact O-N 3.13Å; V216-S254 PolarHBondContact O-OG 3.13Å; V216-T257 HydrophobicContact CG1-CG2 4.32Å; V216-T349 HydrophobicContact CG1-CG2 4.39Å; V216-T349 HydrophobicContact CG2-CG2 4.46Å |
| 217 | E | 36.7 | Very low | 43.4 | Very low | 147 Ų | 147 | 85.1 Ų | 85.1 | 69% | 0.687 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | -0.9 | -176.6 | -78.1 | -174.7 | 153.8 | 0 | 0 | 115.4 | S214 G219 | S214-E217 PolarHBondContact O-N 2.75Å; E217-G219 VanDerWaalsContact C-N 3.33Å; E217-G219 PolarHBondContact O-N 3.35Å |
| 218 | A | 28.7 | Very low | 40.9 | Very low | 90 Ų | 90 | 86.9 Ų | 86.9 | 74% | 0.744 | 58% | 0.577 | S | S | * | * | trans | -83.3 | 71 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | S214 | S214-A218 PolarHBondContact O-N 2.72Š| ||
| 219 | G | 27.3 | Very low | 38.1 | Very low | 56 Ų | 56 | 88.9 Ų | 88.9 | 58% | 0.577 | 60% | 0.596 | S | S | * | * | trans | -80.7 | 144.5 | 147.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | E217 G221 | E217-G219 VanDerWaalsContact C-N 3.33Å; E217-G219 PolarHBondContact O-N 3.35Å; G219-G221 PolarHBondContact O-N 3.38Å | ||
| 220 | P | 31 | Very low | 35.5 | Very low | 149 Ų | 149 | 94.2 Ų | 94.2 | 97% | 0.968 | 63% | 0.634 | S | S | * | * | S | Bend | trans | -74.4 | 90.8 | -174.7 | 31.2 | -31.9 | 0 | 0 | 0 | 109.7 | ||
| 221 | G | 27.1 | Very low | 33.8 | Very low | 67 Ų | 67 | 99.6 Ų | 99.6 | 69% | 0.691 | 66% | 0.659 | S | S | * | * | trans | -140.3 | 95.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | G219 D223 | G219-G221 PolarHBondContact O-N 3.38Å; G221-D223 PolarHBondContact O-N 3.01Å | ||
| 222 | N | 33.2 | Very low | 32.9 | Very low | 161 Ų | 161 | 99.1 Ų | 99.1 | 86% | 0.861 | 66% | 0.661 | S | S | * | * | trans | -72.1 | 98.2 | 174.9 | -173.1 | 65.8 | 0 | 0 | 0 | 108.6 | ||||
| 223 | D | 25.5 | Very low | 31.8 | Very low | 156 Ų | 156 | 102.8 Ų | 102.8 | 83% | 0.834 | 68% | 0.681 | S | S | * | * | trans | -149.4 | 115.1 | 163.4 | -89.9 | -35.2 | 0 | 0 | 0 | 113.3 | G221 S225 | G221-D223 PolarHBondContact O-N 3.01Å; D223-S225 PolarHBondContact O-N 3.07Å | ||
| 224 | S | 31.2 | Very low | 30.9 | Very low | 117 Ų | 117 | 107.8 Ų | 107.8 | 82% | 0.818 | 71% | 0.71 | S | S | * | * | trans | -78.4 | 103.1 | 169.6 | 50.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 225 | S | 25.1 | Very low | 30.4 | Very low | 99 Ų | 99 | 111 Ų | 111 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | trans | -174.8 | 94.4 | 150.3 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | D223 S227 | D223-S225 PolarHBondContact O-N 3.07Å; S225-S227 PolarHBondContact O-N 2.93Å | ||
| 226 | V | 30.9 | Very low | 30.4 | Very low | 154 Ų | 154 | 114.7 Ų | 114.7 | 93% | 0.933 | 75% | 0.751 | S | S | * | * | trans | -78.1 | 96.3 | 162.5 | 177.7 | 0 | 0 | 0 | 0 | 107 | ||||
| 227 | S | 27.9 | Very low | 29.8 | Very low | 106 Ų | 106 | 117.8 Ų | 117.8 | 74% | 0.741 | 77% | 0.77 | S | S | * | * | trans | -102.4 | 124.9 | 167.1 | -68.7 | 0 | 0 | 0 | 0 | 108.2 | S225 | S225-S227 PolarHBondContact O-N 2.93Š| ||
| 228 | G | 34.2 | Very low | 29.4 | Very low | 82 Ų | 82 | 115.1 Ų | 115.1 | 85% | 0.845 | 77% | 0.765 | S | S | * | * | trans | -56.7 | 133 | -165.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 229 | A | 24.2 | Very low | 29.9 | Very low | 91 Ų | 91 | 117.5 Ų | 117.5 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -107.7 | 106 | 154.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | I231 | A229-I231 PolarHBondContact O-N 2.97Š| ||
| 230 | S | 25.6 | Very low | 30.2 | Very low | 119 Ų | 119 | 119.8 Ų | 119.8 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | -75.7 | 110.3 | 167.3 | 52.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 231 | I | 32.6 | Very low | 30.2 | Very low | 148 Ų | 148 | 118.2 Ų | 118.2 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | -108.5 | 115.4 | 162.7 | -57 | -176.8 | 0 | 0 | 0 | 107.2 | A229 | A229-I231 PolarHBondContact O-N 2.97Š| ||
| 232 | T | 27.4 | Very low | 30.5 | Very low | 110 Ų | 110 | 119 Ų | 119 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 141.1 | 178.9 | -24.3 | 0 | 0 | 0 | 0 | 110.7 | L234 | T232-L234 PolarHBondContact O-N 3.03Š|
| 233 | P | 26.9 | Very low | 30.6 | Very low | 124 Ų | 124 | 116.2 Ų | 116.2 | 81% | 0.805 | 75% | 0.749 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 117 | 173.8 | 27.9 | -31.9 | 0 | 0 | 0 | 109.2 | ||
| 234 | L | 34.2 | Very low | 30.9 | Very low | 155 Ų | 155 | 115 Ų | 115 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 122.2 | 171.8 | -74.4 | 169.3 | 0 | 0 | 0 | 109.9 | T232 | T232-L234 PolarHBondContact O-N 3.03Š|
| 235 | T | 29.5 | Very low | 31.1 | Very low | 110 Ų | 110 | 114.2 Ų | 114.2 | 68% | 0.675 | 74% | 0.738 | S | S | * | * | trans | -45.2 | 156.7 | 163.2 | 40.4 | 0 | 0 | 0 | 0 | 112.9 | V237 | T235-V237 PolarHBondContact O-N 2.96Å; T235-V237 VanDerWaalsContact O-N 3.1Å | ||
| 236 | P | 33.9 | Very low | 31.3 | Very low | 132 Ų | 132 | 114.5 Ų | 114.5 | 86% | 0.857 | 74% | 0.735 | S | S | * | * | trans | -62.7 | 115.7 | 179.9 | 26.8 | -33.1 | 0 | 0 | 0 | 110.5 | ||||
| 237 | V | 32.2 | Very low | 31.5 | Very low | 101 Ų | 101 | 112.6 Ų | 112.6 | 61% | 0.612 | 73% | 0.726 | S | S | * | * | trans | -84.5 | 145.7 | 173.3 | 176 | 0 | 0 | 0 | 0 | 108.9 | T235 | T235-V237 PolarHBondContact O-N 2.96Å; T235-V237 VanDerWaalsContact O-N 3.1Å | ||
| 238 | P | 28.9 | Very low | 31.8 | Very low | 91 Ų | 91 | 113.8 Ų | 113.8 | 59% | 0.591 | 73% | 0.729 | S | S | * | * | trans | -63.9 | 165.1 | 179.1 | -15 | 29.1 | 0 | 0 | 0 | 113 | S240 | P238-S240 PolarHBondContact O-N 3.12Š| ||
| 239 | P | 38.2 | Very low | 32 | Very low | 140 Ų | 140 | 114.4 Ų | 114.4 | 91% | 0.909 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | 44.4 | -164.9 | 35.3 | -37.5 | 0 | 0 | 0 | 114.6 | ||
| 240 | S | 33.5 | Very low | 32.6 | Very low | 104 Ų | 104 | 116.1 Ų | 116.1 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.5 | 9.9 | -175.3 | 37.3 | 0 | 0 | 0 | 0 | 116.5 | P238 | P238-S240 PolarHBondContact O-N 3.12Š|
| 241 | V | 32.6 | Very low | 33.3 | Very low | 115 Ų | 115 | 117.6 Ų | 117.6 | 70% | 0.697 | 73% | 0.725 | S | S | * | * | trans | -141.2 | 117.5 | 169.4 | -174.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 242 | V | 32.5 | Very low | 33.8 | Very low | 85 Ų | 85 | 118.3 Ų | 118.3 | 52% | 0.515 | 73% | 0.729 | S | S | . | * | trans | -65.4 | 132.1 | 171.6 | 177.5 | 0 | 0 | 0 | 0 | 108.9 | T244 | V242-T244 PolarHBondContact O-N 2.84Š| ||
| 243 | P | 35.2 | Very low | 35 | Very low | 101 Ų | 101 | 115.8 Ų | 115.8 | 66% | 0.656 | 72% | 0.715 | S | S | * | * | trans | -67.2 | 102.9 | 163 | -9.1 | 24.3 | 0 | 0 | 0 | 108 | V245 | P243-V245 HydrophobicContact CB-CG2 4.46Å; P243-V245 PolarHBondContact O-N 2.84Å | ||
| 244 | T | 31.7 | Very low | 36.6 | Very low | 130 Ų | 130 | 112 Ų | 112 | 80% | 0.798 | 69% | 0.691 | S | S | * | * | trans | -69.4 | 94.4 | 170.1 | -30.5 | 0 | 0 | 0 | 0 | 108.1 | V242 | V242-T244 PolarHBondContact O-N 2.84Š| ||
| 245 | V | 37 | Very low | 38 | Very low | 101 Ų | 101 | 107.9 Ų | 107.9 | 61% | 0.612 | 67% | 0.674 | S | S | * | * | trans | -93.3 | 102.9 | 170.3 | -175.4 | 0 | 0 | 0 | 0 | 107.9 | P243 | P243-V245 HydrophobicContact CB-CG2 4.46Å; P243-V245 PolarHBondContact O-N 2.84Å | ||
| 246 | V | 27.8 | Very low | 40.1 | Very low | 105 Ų | 105 | 106.5 Ų | 106.5 | 64% | 0.636 | 66% | 0.659 | S | S | * | * | trans | -66.1 | 129.5 | 161.9 | 176.9 | 0 | 0 | 0 | 0 | 107.3 | T248 | V246-T248 PolarHBondContact O-N 3.3Š| ||
| 247 | P | 35.5 | Very low | 42.5 | Very low | 115 Ų | 115 | 101.1 Ų | 101.1 | 75% | 0.747 | 62% | 0.623 | S | S | * | * | trans | -75.4 | 94.6 | 179.1 | 29.3 | -30.9 | 0 | 0 | 0 | 109.5 | ||||
| 248 | T | 35.2 | Very low | 45.1 | Very low | 130 Ų | 130 | 98 Ų | 98 | 80% | 0.798 | 61% | 0.605 | S | S | * | * | trans | -98.2 | 77.2 | 159.1 | 36.6 | 0 | 0 | 0 | 0 | 109.6 | V246 | V246-T248 PolarHBondContact O-N 3.3Š| ||
| 249 | S | 38 | Very low | 47.8 | Very low | 95 Ų | 95 | 93.8 Ų | 93.8 | 66% | 0.664 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -172 | 121.7 | 151 | 47.8 | 0 | 0 | 0 | 0 | 109.7 | L251 | S249-L251 PolarHBondContact O-N 2.85Š|
| 250 | S | 35.5 | Very low | 50.1 | Low | 128 Ų | 128 | 90.7 Ų | 90.7 | 90% | 0.895 | 55% | 0.549 | S | S | * | . | trans | -71.7 | 41.6 | -174.6 | 51.9 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 251 | L | 40.7 | Very low | 52.8 | Low | 149 Ų | 149 | 86.9 Ų | 86.9 | 78% | 0.78 | 52% | 0.523 | S | S | * | . | trans | -117.2 | 110.4 | 172.5 | -74.3 | 164 | 0 | 0 | 0 | 107.7 | S249 P253 | S249-L251 PolarHBondContact O-N 2.85Å; L251-P253 WeakPolarHBondContact O-CD 3.27Å | ||
| 252 | L | 42.7 | Very low | 55.7 | Low | 164 Ų | 164 | 81.4 Ų | 81.4 | 86% | 0.859 | 49% | 0.49 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 124.6 | 168.6 | -85.1 | 121.1 | 0 | 0 | 0 | 107.7 | ||
| 253 | P | 53.1 | Low | 58.4 | Low | 57 Ų | 57 | 81.3 Ų | 81.3 | 37% | 0.37 | 49% | 0.487 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 145.1 | 175.1 | 21.7 | -29 | 0 | 0 | 0 | 109.4 | L251 W260 | L251-P253 WeakPolarHBondContact O-CD 3.27Å; P253-W260 HydrophobicContact CB-CB 4.05Å; P253-W260 HydrophobicContact CG-CB 3.88Å; P253-W260 HydrophobicContact CG-CG 4.47Å |
| 254 | S | 61.4 | Low | 61.1 | Low | 43 Ų | 43 | 78.9 Ų | 78.9 | 30% | 0.301 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 138.9 | 178.2 | 46.6 | 0 | 0 | 0 | 0 | 110 | V216 T257 | V216-S254 PolarHBondContact O-OG 3.13Å; S254-T257 WeakPolarHBondContact O-CG2 3.46Å; S254-T257 PolarHBondContact O-N 3.49Å; S254-T257 PolarHBondContact O-OG1 3.01Å; S254-T257 WeakPolarHBondContact OG-CG2 3.32Å |
| 255 | P | 63.6 | Low | 64 | Low | 70 Ų | 70 | 75.3 Ų | 75.3 | 46% | 0.455 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | 145.8 | -176.9 | 19.8 | -29 | 0 | 0 | 0 | 110.3 | T257 T348 | P255-T257 VanDerWaalsContact C-N 3.3Å; P255-T257 PolarHBondContact O-N 3.37Å; P255-T348 HydrophobicContact CB-CG2 4.32Å; P255-T348 HydrophobicContact CG-CG2 3.99Å; P255-T348 WeakPolarHBondContact O-CG2 3.1Å |
| 256 | F | 73.5 | Confident | 66.7 | Low | 81 Ų | 81 | 73 Ų | 73 | 36% | 0.355 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 12.2 | -177.8 | -67.8 | -83.9 | 0 | 0 | 0 | 117.5 | W260 F340 T348 | F256-W260 HydrophobicContact CD1-CZ3 4.45Å; F256-F340 HydrophobicContact CE1-CZ 4.36Å; F256-T348 HydrophobicContact CB-CG2 4.23Å; F256-T348 HydrophobicContact CD2-CG2 4.05Å |
| 257 | T | 82.9 | Confident | 69.8 | Low | 18 Ų | 18 | 71.5 Ų | 71.5 | 11% | 0.11 | 42% | 0.42 | C | S | . | . | trans | -72.3 | 152.9 | 163.2 | 55.1 | 0 | 0 | 0 | 0 | 111.4 | V216 S254 P255 G259 W260 A261 | V216-T257 HydrophobicContact CG1-CG2 4.32Å; S254-T257 WeakPolarHBondContact O-CG2 3.46Å; S254-T257 PolarHBondContact O-N 3.49Å; S254-T257 PolarHBondContact O-OG1 3.01Å; S254-T257 WeakPolarHBondContact OG-CG2 3.32Å; P255-T257 VanDerWaalsContact C-N 3.3Å; P255-T257 PolarHBondContact O-N 3.37Å; T257-G259 PolarHBondContact O-N 3.17Å; T257-W260 PolarHBondContact O-N 3.01Å; T257-W260 VanDerWaalsContact O-N 3.13Å; T257-W260 WeakPolarHBondContact OG1-CB 3.4Å; T257-W260 PolarHBondContact OG1-N 3.48Å; T257-A261 PolarHBondContact O-N 3.21Å | ||
| 258 | P | 87.5 | Confident | 72.6 | Confident | 35 Ų | 35 | 70.8 Ų | 70.8 | 23% | 0.227 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -55.5 | -38.8 | 176.4 | -26.4 | 35 | 0 | 0 | 0 | 112.8 | L146 A149 N150 L153 A261 A262 | L146-P258 HydrophobicContact CD2-CB 4.26Å; L146-P258 WeakPolarHBondContact O-CB 3.39Å; A149-P258 HydrophobicContact CB-CB 4.2Å; A149-P258 HydrophobicContact CB-CG 4.48Å; N150-P258 HydrophobicContact CB-CB 4.25Å; L153-P258 HydrophobicContact CD1-CG 4.03Å; P258-A261 PolarHBondContact O-N 2.03Å; P258-A262 WeakPolarHBondContact O-CB 3.5Å; P258-A262 PolarHBondContact O-N 2.99Å |
| 259 | G | 85.1 | Confident | 75.4 | Confident | 3 Ų | 3 | 65.1 Ų | 65.1 | 3% | 0.031 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -67.1 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | N150 T257 N263 | N150-G259 PolarHBondContact OD1-N 3.43Å; T257-G259 PolarHBondContact O-N 3.17Å; G259-N263 PolarHBondContact O-N 3.44Å; G259-N263 VanDerWaalsContact O-N 3.12Å; G259-N263 PolarHBondContact O-ND2 3.38Å |
| 260 | W | 88 | Confident | 78.1 | Confident | 76 Ų | 76 | 64.8 Ų | 64.8 | 29% | 0.288 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.6 | -49.5 | 172.9 | 174.8 | 90.1 | 0 | 0 | 0 | 111.1 | P253 F256 T257 A262 N263 T264 | P253-W260 HydrophobicContact CB-CB 4.05Å; P253-W260 HydrophobicContact CG-CB 3.88Å; P253-W260 HydrophobicContact CG-CG 4.47Å; F256-W260 HydrophobicContact CD1-CZ3 4.45Å; T257-W260 PolarHBondContact O-N 3.01Å; T257-W260 VanDerWaalsContact O-N 3.13Å; T257-W260 WeakPolarHBondContact OG1-CB 3.4Å; T257-W260 PolarHBondContact OG1-N 3.48Å; W260-A262 PolarHBondContact O-N 3.08Å; W260-N263 PolarHBondContact O-N 3.19Å; W260-T264 PolarHBondContact O-N 3.2Å; W260-T264 PolarHBondContact O-OG1 2.9Å |
| 261 | A | 89.8 | Confident | 81 | Confident | 23 Ų | 23 | 66.3 Ų | 66.3 | 19% | 0.19 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60 | -45.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L146 T257 P258 N263 T264 L265 | L146-A261 HydrophobicContact CD1-CB 4.17Å; T257-A261 PolarHBondContact O-N 3.21Å; P258-A261 PolarHBondContact O-N 2.03Å; A261-N263 PolarHBondContact O-N 2.83Å; A261-T264 PolarHBondContact O-N 3.04Å; A261-L265 VanDerWaalsContact O-CB 3.3Å; A261-L265 WeakPolarHBondContact O-CB 3.09Å; A261-L265 WeakPolarHBondContact O-CD1 3.35Å; A261-L265 WeakPolarHBondContact O-CG 3.46Å; A261-L265 PolarHBondContact O-N 3.45Å |
| 262 | A | 92.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -57.4 | -49.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L146 L147 P258 W260 T264 L265 I266 | L146-A262 HydrophobicContact CB-CB 3.86Å; L147-A262 HydrophobicContact CD2-CB 3.85Å; L147-A262 HydrophobicContact CG-CB 3.78Å; P258-A262 WeakPolarHBondContact O-CB 3.5Å; P258-A262 PolarHBondContact O-N 2.99Å; W260-A262 PolarHBondContact O-N 3.08Å; A262-T264 PolarHBondContact O-N 3.25Å; A262-L265 PolarHBondContact O-N 3.36Å; A262-I266 WeakPolarHBondContact O-CB 3.29Å; A262-I266 WeakPolarHBondContact O-CD1 3.28Å; A262-I266 WeakPolarHBondContact O-CG1 3.22Å; A262-I266 PolarHBondContact O-N 2.88Å |
| 263 | N | 90.6 | Very high | 86.3 | Confident | 84 Ų | 84 | 58.1 Ų | 58.1 | 45% | 0.449 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.3 | -43.1 | -178.5 | -73 | -25.9 | 0 | 0 | 0 | 112.4 | G259 W260 A261 V267 | G259-N263 PolarHBondContact O-N 3.44Å; G259-N263 VanDerWaalsContact O-N 3.12Å; G259-N263 PolarHBondContact O-ND2 3.38Å; W260-N263 PolarHBondContact O-N 3.19Å; A261-N263 PolarHBondContact O-N 2.83Å; N263-V267 WeakPolarHBondContact O-CG2 3.48Å; N263-V267 PolarHBondContact O-N 3.12Å |
| 264 | T | 91 | Very high | 88.4 | Confident | 50 Ų | 50 | 59.4 Ų | 59.4 | 31% | 0.307 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.2 | -44.5 | 176.3 | -62.9 | 0 | 0 | 0 | 0 | 111.3 | W260 A261 A262 V267 N268 | W260-T264 PolarHBondContact O-N 3.2Å; W260-T264 PolarHBondContact O-OG1 2.9Å; A261-T264 PolarHBondContact O-N 3.04Å; A262-T264 PolarHBondContact O-N 3.25Å; T264-V267 PolarHBondContact O-N 3.04Å; T264-N268 WeakPolarHBondContact O-CB 2.97Å; T264-N268 PolarHBondContact O-N 3.41Å; T264-N268 PolarHBondContact O-OD1 3.42Å; T264-N268 VanDerWaalsContact O-OD1 3.05Å |
| 265 | L | 93.6 | Very high | 90.1 | Very high | 55 Ų | 55 | 60.7 Ų | 60.7 | 29% | 0.288 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.4 | -39.4 | -179.6 | -69.8 | 170.5 | 0 | 0 | 0 | 112.3 | M139 L142 T143 L146 A261 A262 N268 E269 | M139-L265 HydrophobicContact CE-CB 3.97Å; M139-L265 HydrophobicContact CE-CD2 4.08Å; M139-L265 HydrophobicContact CE-CG 4.45Å; L142-L265 HydrophobicContact CD2-CD1 3.72Å; L142-L265 HydrophobicContact CG-CD1 4.21Å; T143-L265 HydrophobicContact CG2-CB 3.77Å; L146-L265 HydrophobicContact CD1-CD1 3.88Å; A261-L265 VanDerWaalsContact O-CB 3.3Å; A261-L265 WeakPolarHBondContact O-CB 3.09Å; A261-L265 WeakPolarHBondContact O-CD1 3.35Å; A261-L265 WeakPolarHBondContact O-CG 3.46Å; A261-L265 PolarHBondContact O-N 3.45Å; A262-L265 PolarHBondContact O-N 3.36Å; L265-N268 PolarHBondContact O-N 2.85Å; L265-E269 WeakPolarHBondContact O-CB 3.48Å; L265-E269 PolarHBondContact O-N 2.96Å |
| 266 | I | 93.1 | Very high | 91.7 | Very high | 53 Ų | 53 | 58 Ų | 58 | 27% | 0.272 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58.8 | -50.3 | 175.4 | -71.5 | 164.1 | 0 | 0 | 0 | 110.4 | T143 L147 A262 N268 E269 D270 | T143-I266 HydrophobicContact CG2-CG1 3.69Å; L147-I266 HydrophobicContact CD1-CD1 4.34Å; A262-I266 WeakPolarHBondContact O-CB 3.29Å; A262-I266 WeakPolarHBondContact O-CD1 3.28Å; A262-I266 WeakPolarHBondContact O-CG1 3.22Å; A262-I266 PolarHBondContact O-N 2.88Å; I266-N268 PolarHBondContact O-N 3.36Å; I266-E269 PolarHBondContact O-N 3.43Å; I266-D270 PolarHBondContact O-N 3.12Å |
| 267 | V | 93.1 | Very high | 92.8 | Very high | 73 Ų | 73 | 55.9 Ų | 55.9 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.4 | -45.7 | -178.9 | 173.3 | 0 | 0 | 0 | 0 | 111 | N263 T264 E269 D270 Y271 | N263-V267 WeakPolarHBondContact O-CG2 3.48Å; N263-V267 PolarHBondContact O-N 3.12Å; T264-V267 PolarHBondContact O-N 3.04Å; V267-E269 VanDerWaalsContact C-N 3.3Å; V267-E269 PolarHBondContact O-N 2.94Å; V267-D270 PolarHBondContact O-N 3.41Å; V267-Y271 HydrophobicContact CG1-CD2 3.99Å; V267-Y271 HydrophobicContact CG1-CE2 3.62Å; V267-Y271 WeakPolarHBondContact O-CD2 3.01Å; V267-Y271 PolarHBondContact O-N 3.42Å |
| 268 | N | 93.1 | Very high | 93.6 | Very high | 100 Ų | 100 | 59.7 Ų | 59.7 | 54% | 0.535 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.3 | -38.1 | 177.9 | -76 | 40.4 | 0 | 0 | 0 | 112 | T264 L265 I266 Y271 R272 | T264-N268 WeakPolarHBondContact O-CB 2.97Å; T264-N268 PolarHBondContact O-N 3.41Å; T264-N268 PolarHBondContact O-OD1 3.42Å; T264-N268 VanDerWaalsContact O-OD1 3.05Å; L265-N268 PolarHBondContact O-N 2.85Å; I266-N268 PolarHBondContact O-N 3.36Å; N268-Y271 PolarHBondContact O-N 3.03Å; N268-R272 PolarHBondContact O-N 2.98Å |
| 269 | E | 95.3 | Very high | 94.1 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 5% | 0.051 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 177.9 | 175.7 | 54.3 | -159.2 | 0 | 0 | 112 | H136 M139 L265 I266 V267 Y271 R272 W273 | H136-E269 VanDerWaalsContact CA-OE1 3.29Å; H136-E269 WeakPolarHBondContact CA-OE1 3.45Å; H136-E269 IonicContact CG-OE1 3.77Å; H136-E269 IonicContact ND1-OE1 2.99Å; H136-E269 PolarHBondContact ND1-OE1 2.92Å; M139-E269 HydrophobicContact CB-CG 3.82Å; M139-E269 HydrophobicContact CE-CB 4.35Å; M139-E269 HydrophobicContact CG-CG 4.29Å; L265-E269 WeakPolarHBondContact O-CB 3.48Å; L265-E269 PolarHBondContact O-N 2.96Å; I266-E269 PolarHBondContact O-N 3.43Å; V267-E269 VanDerWaalsContact C-N 3.3Å; V267-E269 PolarHBondContact O-N 2.94Å; E269-Y271 VanDerWaalsContact C-N 3.29Å; E269-Y271 PolarHBondContact O-N 3.4Å; E269-R272 PolarHBondContact O-N 3.48Å; E269-R272 IonicContact OE1-CZ 3.36Å; E269-R272 IonicContact OE1-NE 3.72Å; E269-R272 IonicContact OE1-NH2 3.41Å; E269-R272 PolarHBondContact OE1-NH2 2.88Å; E269-R272 IonicContact OE2-CZ 3.81Å; E269-R272 IonicContact OE2-NE 3.34Å; E269-R272 PolarHBondContact OE2-NE 2.94Å; E269-R272 IonicContact OE2-NH2 2.65Å; E269-R272 PolarHBondContact OE2-NH2 2.88Å; E269-W273 VanDerWaalsContact O-CB 3.25Å; E269-W273 WeakPolarHBondContact O-CB 2.82Å; E269-W273 PolarHBondContact O-N 3.2Å |
| 270 | D | 94.5 | Very high | 94.7 | Very high | 88 Ų | 88 | 58.6 Ų | 58.6 | 47% | 0.471 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -58.1 | -43.2 | 174.8 | -74 | -21.3 | 0 | 0 | 0 | 111.3 | I266 V267 L274 | I266-D270 PolarHBondContact O-N 3.12Å; V267-D270 PolarHBondContact O-N 3.41Å; D270-L274 WeakPolarHBondContact O-CB 3.49Å; D270-L274 PolarHBondContact O-N 3.09Å |
| 271 | Y | 96.1 | Very high | 95.2 | Very high | 160 Ų | 160 | 59 Ų | 59 | 63% | 0.627 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -66.5 | -44 | 175.7 | -75.5 | -64 | 0 | 0 | 0 | 112.5 | V267 N268 E269 S275 | V267-Y271 HydrophobicContact CG1-CD2 3.99Å; V267-Y271 HydrophobicContact CG1-CE2 3.62Å; V267-Y271 WeakPolarHBondContact O-CD2 3.01Å; V267-Y271 PolarHBondContact O-N 3.42Å; N268-Y271 PolarHBondContact O-N 3.03Å; E269-Y271 VanDerWaalsContact C-N 3.29Å; E269-Y271 PolarHBondContact O-N 3.4Å; Y271-S275 VanDerWaalsContact O-CB 3.23Å; Y271-S275 WeakPolarHBondContact O-CB 3.26Å; Y271-S275 PolarHBondContact O-N 3.02Å; Y271-S275 PolarHBondContact O-OG 3.43Å |
| 272 | R | 96.8 | Very high | 95.6 | Very high | 41 Ų | 41 | 59.5 Ų | 59.5 | 16% | 0.155 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.9 | -53.6 | 177.9 | -173.6 | -158.9 | 66.5 | 70.8 | 1.9 | 110.3 | N132 N268 E269 L274 S275 Y276 | N132-R272 PolarHBondContact OD1-NH1 3.3Å; N132-R272 PolarHBondContact OD1-NH2 3.03Å; N268-R272 PolarHBondContact O-N 2.98Å; E269-R272 PolarHBondContact O-N 3.48Å; E269-R272 IonicContact OE1-CZ 3.36Å; E269-R272 IonicContact OE1-NE 3.72Å; E269-R272 IonicContact OE1-NH2 3.41Å; E269-R272 PolarHBondContact OE1-NH2 2.88Å; E269-R272 IonicContact OE2-CZ 3.81Å; E269-R272 IonicContact OE2-NE 3.34Å; E269-R272 PolarHBondContact OE2-NE 2.94Å; E269-R272 IonicContact OE2-NH2 2.65Å; E269-R272 PolarHBondContact OE2-NH2 2.88Å; R272-L274 PolarHBondContact O-N 2.94Å; R272-S275 PolarHBondContact O-N 2.87Å; R272-Y276 HydrophobicContact CG-CD2 4.17Å; R272-Y276 HydrophobicContact CG-CE2 4.24Å; R272-Y276 WeakPolarHBondContact O-CD2 3.11Å; R272-Y276 PolarHBondContact O-N 2.98Å |
| 273 | W | 97.2 | Very high | 95.8 | Very high | 100 Ų | 100 | 59.5 Ų | 59.5 | 38% | 0.379 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -57.1 | -50 | -179.2 | 178.5 | 90.2 | 0 | 0 | 0 | 111.3 | N132 H136 E269 S275 Y276 V277 | N132-W273 VanDerWaalsContact ND2-CD1 3.31Å; N132-W273 PolarHBondContact ND2-O 2.85Å; H136-W273 AromaticContact CG-CD1 3.9Å; H136-W273 AromaticContact ND1-CD1 3.94Å; E269-W273 VanDerWaalsContact O-CB 3.25Å; E269-W273 WeakPolarHBondContact O-CB 2.82Å; E269-W273 PolarHBondContact O-N 3.2Å; W273-S275 VanDerWaalsContact C-N 3.34Å; W273-S275 PolarHBondContact O-N 3.18Å; W273-Y276 PolarHBondContact O-N 3.36Å; W273-V277 HydrophobicContact CD2-CG2 4.02Å; W273-V277 HydrophobicContact CE3-CG2 4.22Å; W273-V277 HydrophobicContact CH2-CG2 4Å; W273-V277 HydrophobicContact CZ2-CG2 3.79Å; W273-V277 HydrophobicContact CZ3-CG2 4.21Å; W273-V277 WeakPolarHBondContact O-CG2 2.9Å; W273-V277 PolarHBondContact O-N 2.63Å |
| 274 | L | 97.2 | Very high | 96.2 | Very high | 83 Ų | 83 | 58.5 Ų | 58.5 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 179.4 | -177.7 | 65.4 | 0 | 0 | 0 | 111.5 | D270 R272 Y276 V277 L278 | D270-L274 WeakPolarHBondContact O-CB 3.49Å; D270-L274 PolarHBondContact O-N 3.09Å; R272-L274 PolarHBondContact O-N 2.94Å; L274-Y276 VanDerWaalsContact C-N 3.33Å; L274-Y276 PolarHBondContact O-N 3.03Å; L274-V277 PolarHBondContact O-N 3.03Å; L274-L278 HydrophobicContact CD1-CG 4.46Å; L274-L278 HydrophobicContact CG-CD1 4.15Å; L274-L278 HydrophobicContact CG-CG 4.48Å; L274-L278 WeakPolarHBondContact O-CB 3.41Å; L274-L278 VanDerWaalsContact O-CG 3.29Å; L274-L278 WeakPolarHBondContact O-CG 3.5Å; L274-L278 PolarHBondContact O-N 3.39Å |
| 275 | S | 97.1 | Very high | 96.4 | Very high | 71 Ų | 71 | 59.1 Ų | 59.1 | 50% | 0.497 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.6 | -42.2 | 178.2 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | Y271 R272 W273 L278 L279 | Y271-S275 VanDerWaalsContact O-CB 3.23Å; Y271-S275 WeakPolarHBondContact O-CB 3.26Å; Y271-S275 PolarHBondContact O-N 3.02Å; Y271-S275 PolarHBondContact O-OG 3.43Å; R272-S275 PolarHBondContact O-N 2.87Å; W273-S275 VanDerWaalsContact C-N 3.34Å; W273-S275 PolarHBondContact O-N 3.18Å; S275-L278 PolarHBondContact O-N 2.59Å; S275-L279 WeakPolarHBondContact O-CB 3.32Å; S275-L279 PolarHBondContact O-N 3.06Å |
| 276 | Y | 97.6 | Very high | 96.6 | Very high | 12 Ų | 12 | 56.5 Ų | 56.5 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.4 | -38.7 | 175.7 | -87.3 | -76.1 | 0 | 0 | 0 | 113.2 | R272 W273 L274 L278 L279 L280 E323 L454 Y457 | R272-Y276 HydrophobicContact CG-CD2 4.17Å; R272-Y276 HydrophobicContact CG-CE2 4.24Å; R272-Y276 WeakPolarHBondContact O-CD2 3.11Å; R272-Y276 PolarHBondContact O-N 2.98Å; W273-Y276 PolarHBondContact O-N 3.36Å; L274-Y276 VanDerWaalsContact C-N 3.33Å; L274-Y276 PolarHBondContact O-N 3.03Å; Y276-L278 VanDerWaalsContact C-N 3.28Å; Y276-L278 PolarHBondContact O-N 3.18Å; Y276-L279 HydrophobicContact CE1-CD2 4.45Å; Y276-L279 PolarHBondContact O-N 3.23Å; Y276-L280 WeakPolarHBondContact O-CB 3.45Å; Y276-L280 WeakPolarHBondContact O-CD1 3.3Å; Y276-L280 WeakPolarHBondContact O-CG 3.35Å; Y276-L280 PolarHBondContact O-N 3.34Å; Y276-E323 WeakPolarHBondContact CE2-OE1 3.25Å; Y276-E323 VanDerWaalsContact CZ-OE1 3.24Å; Y276-E323 WeakPolarHBondContact OH-CG 3.43Å; Y276-E323 PolarHBondContact OH-OE1 2.85Å; Y276-L454 HydrophobicContact CD1-CD2 3.65Å; Y276-L454 HydrophobicContact CD2-CD1 4.12Å; Y276-L454 HydrophobicContact CE1-CB 4.29Å; Y276-L454 HydrophobicContact CE1-CD1 4.48Å; Y276-L454 HydrophobicContact CE1-CD2 3.88Å; Y276-L454 HydrophobicContact CE1-CG 4.45Å; Y276-L454 HydrophobicContact CE2-CD1 4.04Å; Y276-L454 HydrophobicContact CG-CD1 4.38Å; Y276-L454 HydrophobicContact CG-CD2 4.02Å; Y276-Y457 HydrophobicContact CD1-CD1 4.44Å; Y276-Y457 HydrophobicContact CD1-CE1 4.28Å; Y276-Y457 HydrophobicContact CE1-CD1 4.3Å; Y276-Y457 HydrophobicContact CE1-CE1 4.35Å |
| 277 | V | 98.1 | Very high | 96.7 | Very high | 37 Ų | 37 | 54 Ų | 54 | 22% | 0.224 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -43.4 | 173.3 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | W273 L274 L281 | W273-V277 HydrophobicContact CD2-CG2 4.02Å; W273-V277 HydrophobicContact CE3-CG2 4.22Å; W273-V277 HydrophobicContact CH2-CG2 4Å; W273-V277 HydrophobicContact CZ2-CG2 3.79Å; W273-V277 HydrophobicContact CZ3-CG2 4.21Å; W273-V277 WeakPolarHBondContact O-CG2 2.9Å; W273-V277 PolarHBondContact O-N 2.63Å; L274-V277 PolarHBondContact O-N 3.03Å; V277-L281 VanDerWaalsContact O-CB 3.25Å; V277-L281 WeakPolarHBondContact O-CB 3.39Å; V277-L281 PolarHBondContact O-N 2.91Å |
| 278 | L | 98.1 | Very high | 96.8 | Very high | 99 Ų | 99 | 55.2 Ų | 55.2 | 52% | 0.518 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 176.9 | -70.2 | 172.4 | 0 | 0 | 0 | 112.3 | L274 S275 Y276 L281 L282 | L274-L278 HydrophobicContact CD1-CG 4.46Å; L274-L278 HydrophobicContact CG-CD1 4.15Å; L274-L278 HydrophobicContact CG-CG 4.48Å; L274-L278 WeakPolarHBondContact O-CB 3.41Å; L274-L278 VanDerWaalsContact O-CG 3.29Å; L274-L278 WeakPolarHBondContact O-CG 3.5Å; L274-L278 PolarHBondContact O-N 3.39Å; S275-L278 PolarHBondContact O-N 2.59Å; Y276-L278 VanDerWaalsContact C-N 3.28Å; Y276-L278 PolarHBondContact O-N 3.18Å; L278-L281 PolarHBondContact O-N 2.98Å; L278-L282 WeakPolarHBondContact O-CB 3.4Å; L278-L282 PolarHBondContact O-N 3.36Å |
| 279 | L | 98.1 | Very high | 96.9 | Very high | 15 Ų | 15 | 54.5 Ų | 54.5 | 8% | 0.079 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.4 | -46.1 | 176.5 | -177.7 | 56.1 | 0 | 0 | 0 | 111.6 | S275 Y276 L281 L282 D283 L315 Y457 | S275-L279 WeakPolarHBondContact O-CB 3.32Å; S275-L279 PolarHBondContact O-N 3.06Å; Y276-L279 HydrophobicContact CE1-CD2 4.45Å; Y276-L279 PolarHBondContact O-N 3.23Å; L279-L281 VanDerWaalsContact C-N 3.3Å; L279-L281 PolarHBondContact O-N 2.96Å; L279-L282 WeakPolarHBondContact O-CB 3.34Å; L279-L282 PolarHBondContact O-N 2.71Å; L279-D283 PolarHBondContact O-N 3.12Å; L279-L315 HydrophobicContact CD1-CB 3.66Å; L279-L315 HydrophobicContact CD1-CD1 4.14Å; L279-Y457 HydrophobicContact CD2-CE1 4.01Å; L279-Y457 HydrophobicContact CG-CE1 4.24Å |
| 280 | L | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.4 | -39.7 | 176 | -71.3 | 164 | 0 | 0 | 0 | 111.9 | I125 F129 Y276 D283 L284 Y457 | I125-L280 HydrophobicContact CB-CD2 4.37Å; I125-L280 HydrophobicContact CG2-CD2 4.14Å; F129-L280 HydrophobicContact CD1-CD1 3.98Å; F129-L280 HydrophobicContact CD2-CD1 4.27Å; F129-L280 HydrophobicContact CD2-CD2 4.44Å; F129-L280 HydrophobicContact CE1-CD1 4.12Å; F129-L280 HydrophobicContact CE2-CB 4.08Å; F129-L280 HydrophobicContact CE2-CD1 4.4Å; F129-L280 HydrophobicContact CG-CD1 4.05Å; F129-L280 HydrophobicContact CZ-CB 4.01Å; F129-L280 HydrophobicContact CZ-CD1 4.32Å; Y276-L280 WeakPolarHBondContact O-CB 3.45Å; Y276-L280 WeakPolarHBondContact O-CD1 3.3Å; Y276-L280 WeakPolarHBondContact O-CG 3.35Å; Y276-L280 PolarHBondContact O-N 3.34Å; L280-D283 PolarHBondContact O-N 3.45Å; L280-L284 WeakPolarHBondContact O-CB 3.49Å; L280-L284 PolarHBondContact O-N 3.31Å; L280-Y457 HydrophobicContact CD2-CD1 4.46Å; L280-Y457 HydrophobicContact CD2-CD2 3.94Å; L280-Y457 HydrophobicContact CD2-CE1 3.99Å; L280-Y457 HydrophobicContact CD2-CE2 3.37Å; L280-Y457 HydrophobicContact CD2-CG 4.41Å; L280-Y457 HydrophobicContact CG-CE1 4.42Å; L280-Y457 HydrophobicContact CG-CE2 4.49Å |
| 281 | L | 97.9 | Very high | 96.6 | Very high | 83 Ų | 83 | 53 Ų | 53 | 44% | 0.435 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.5 | -42.6 | 176.2 | -176.7 | 67.2 | 0 | 0 | 0 | 111.5 | V277 L278 L279 L284 I285 | V277-L281 VanDerWaalsContact O-CB 3.25Å; V277-L281 WeakPolarHBondContact O-CB 3.39Å; V277-L281 PolarHBondContact O-N 2.91Å; L278-L281 PolarHBondContact O-N 2.98Å; L279-L281 VanDerWaalsContact C-N 3.3Å; L279-L281 PolarHBondContact O-N 2.96Å; L281-L284 PolarHBondContact O-N 2.93Å; L281-I285 HydrophobicContact CD1-CD1 4.16Å; L281-I285 HydrophobicContact CD1-CG1 4.44Å; L281-I285 HydrophobicContact CG-CD1 3.9Å; L281-I285 WeakPolarHBondContact O-CB 3.39Å; L281-I285 VanDerWaalsContact O-CG1 3.24Å; L281-I285 WeakPolarHBondContact O-CG1 3.03Å; L281-I285 PolarHBondContact O-N 3.36Å |
| 282 | L | 97.9 | Very high | 96.4 | Very high | 35 Ų | 35 | 49.2 Ų | 49.2 | 18% | 0.183 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -57.4 | -50.6 | 173.9 | 177.1 | 68.2 | 0 | 0 | 0 | 110.2 | L278 L279 L284 I285 V286 L311 A312 L315 | L278-L282 WeakPolarHBondContact O-CB 3.4Å; L278-L282 PolarHBondContact O-N 3.36Å; L279-L282 WeakPolarHBondContact O-CB 3.34Å; L279-L282 PolarHBondContact O-N 2.71Å; L282-L284 VanDerWaalsContact C-N 3.33Å; L282-L284 PolarHBondContact O-N 3.47Å; L282-I285 PolarHBondContact O-N 3.21Å; L282-V286 HydrophobicContact CD1-CG2 4.22Å; L282-V286 HydrophobicContact CG-CG2 4.48Å; L282-V286 VanDerWaalsContact O-CG2 3.29Å; L282-V286 WeakPolarHBondContact O-CG2 3.46Å; L282-V286 PolarHBondContact O-N 3.42Å; L282-L311 HydrophobicContact CD2-CD2 4.34Å; L282-L311 HydrophobicContact CD2-CG 4.42Å; L282-A312 HydrophobicContact CD2-CB 4.2Å; L282-L315 HydrophobicContact CD2-CD1 3.8Å |
| 283 | D | 97.9 | Very high | 96 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.6 | -43.3 | -178.5 | -74.8 | 15.2 | 0 | 0 | 0 | 111.7 | I125 L279 L280 V286 C287 Y457 S461 F465 | I125-D283 HydrophobicContact CD1-CB 3.98Å; I125-D283 HydrophobicContact CG1-CB 4.04Å; L279-D283 PolarHBondContact O-N 3.12Å; L280-D283 PolarHBondContact O-N 3.45Å; D283-V286 PolarHBondContact O-N 2.79Å; D283-C287 WeakPolarHBondContact O-CB 3.46Å; D283-C287 PolarHBondContact O-N 3.32Å; D283-C287 PolarHBondContact O-SG 3.25Å; D283-Y457 VanDerWaalsContact CG-OH 3.3Å; D283-Y457 PolarHBondContact OD2-OH 3.5Å; D283-S461 PolarHBondContact OD2-OG 3.27Å; D283-F465 HydrophobicContact CB-CE2 4.22Å; D283-F465 HydrophobicContact CB-CZ 4.11Å; D283-F465 VanDerWaalsContact CG-CE2 3.47Å; D283-F465 WeakPolarHBondContact OD1-CE2 3.48Å; D283-F465 WeakPolarHBondContact OD2-CE2 3.4Å |
| 284 | L | 97.5 | Very high | 95.5 | Very high | 62 Ų | 62 | 43.9 Ų | 43.9 | 33% | 0.325 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.4 | -48.9 | 176.1 | -179.2 | 67 | 0 | 0 | 0 | 111.8 | I125 L280 L281 L282 C287 L288 | I125-L284 HydrophobicContact CD1-CB 4.17Å; I125-L284 HydrophobicContact CD1-CD1 4.48Å; L280-L284 WeakPolarHBondContact O-CB 3.49Å; L280-L284 PolarHBondContact O-N 3.31Å; L281-L284 PolarHBondContact O-N 2.93Å; L282-L284 VanDerWaalsContact C-N 3.33Å; L282-L284 PolarHBondContact O-N 3.47Å; L284-C287 PolarHBondContact O-N 2.93Å; L284-L288 HydrophobicContact CD1-CD1 4.13Å; L284-L288 HydrophobicContact CD1-CG 4.26Å; L284-L288 HydrophobicContact CG-CD1 3.98Å; L284-L288 HydrophobicContact CG-CG 4.45Å; L284-L288 WeakPolarHBondContact O-CB 3.17Å; L284-L288 VanDerWaalsContact O-CG 3.27Å; L284-L288 WeakPolarHBondContact O-CG 3.34Å; L284-L288 PolarHBondContact O-N 2.91Å |
| 285 | I | 97.2 | Very high | 95.1 | Very high | 63 Ų | 63 | 43.9 Ų | 43.9 | 32% | 0.323 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -60 | -48.6 | 179.5 | -74.2 | 172 | 0 | 0 | 0 | 109.9 | L281 L282 C287 L288 F289 | L281-I285 HydrophobicContact CD1-CD1 4.16Å; L281-I285 HydrophobicContact CD1-CG1 4.44Å; L281-I285 HydrophobicContact CG-CD1 3.9Å; L281-I285 WeakPolarHBondContact O-CB 3.39Å; L281-I285 VanDerWaalsContact O-CG1 3.24Å; L281-I285 WeakPolarHBondContact O-CG1 3.03Å; L281-I285 PolarHBondContact O-N 3.36Å; L282-I285 PolarHBondContact O-N 3.21Å; I285-C287 PolarHBondContact O-N 3.13Å; I285-L288 PolarHBondContact O-N 3.49Å; I285-F289 HydrophobicContact CG2-CD2 3.66Å; I285-F289 HydrophobicContact CG2-CE2 3.86Å; I285-F289 VanDerWaalsContact O-CD2 3.25Å; I285-F289 WeakPolarHBondContact O-CD2 2.89Å; I285-F289 PolarHBondContact O-N 3.11Å |
| 286 | V | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -59.5 | -47.8 | 179.2 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | L282 D283 L288 F289 I290 L308 A309 F465 | L282-V286 HydrophobicContact CD1-CG2 4.22Å; L282-V286 HydrophobicContact CG-CG2 4.48Å; L282-V286 VanDerWaalsContact O-CG2 3.29Å; L282-V286 WeakPolarHBondContact O-CG2 3.46Å; L282-V286 PolarHBondContact O-N 3.42Å; D283-V286 PolarHBondContact O-N 2.79Å; V286-L288 PolarHBondContact O-N 3.46Å; V286-F289 PolarHBondContact O-N 3.48Å; V286-I290 HydrophobicContact CG1-CD1 3.59Å; V286-I290 HydrophobicContact CG1-CG1 4.34Å; V286-I290 WeakPolarHBondContact O-CB 3.44Å; V286-I290 WeakPolarHBondContact O-CD1 3.38Å; V286-I290 WeakPolarHBondContact O-CG1 3.33Å; V286-I290 PolarHBondContact O-N 2.91Å; V286-L308 HydrophobicContact CG2-CB 3.54Å; V286-L308 HydrophobicContact CG2-CD1 4.4Å; V286-A309 HydrophobicContact CG1-CB 4.02Å; V286-F465 HydrophobicContact CB-CE1 4.23Å; V286-F465 HydrophobicContact CB-CZ 4.45Å; V286-F465 HydrophobicContact CG1-CE1 3.65Å; V286-F465 HydrophobicContact CG1-CZ 4.34Å |
| 287 | C | 95.8 | Very high | 94 | Very high | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.014 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.2 | -46.7 | 178.2 | -74.8 | 0 | 0 | 0 | 0 | 113.1 | V118 C121 D283 L284 I285 I290 L291 | V118-C287 HydrophobicContact CG1-CB 3.88Å; C121-C287 VanDerWaalsContact CB-SG 3.55Å; C121-C287 PolarHBondContact SG-SG 3.09Å; D283-C287 WeakPolarHBondContact O-CB 3.46Å; D283-C287 PolarHBondContact O-N 3.32Å; D283-C287 PolarHBondContact O-SG 3.25Å; L284-C287 PolarHBondContact O-N 2.93Å; I285-C287 PolarHBondContact O-N 3.13Å; C287-I290 PolarHBondContact O-N 3.21Å; C287-L291 WeakPolarHBondContact O-CG 3.32Å; C287-L291 PolarHBondContact O-N 3.19Å |
| 288 | L | 95.5 | Very high | 93.4 | Very high | 98 Ų | 98 | 52.5 Ų | 52.5 | 51% | 0.513 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.8 | -46 | -179.6 | -73.4 | 175.5 | 0 | 0 | 0 | 112 | L284 I285 V286 L291 L292 | L284-L288 HydrophobicContact CD1-CD1 4.13Å; L284-L288 HydrophobicContact CD1-CG 4.26Å; L284-L288 HydrophobicContact CG-CD1 3.98Å; L284-L288 HydrophobicContact CG-CG 4.45Å; L284-L288 WeakPolarHBondContact O-CB 3.17Å; L284-L288 VanDerWaalsContact O-CG 3.27Å; L284-L288 WeakPolarHBondContact O-CG 3.34Å; L284-L288 PolarHBondContact O-N 2.91Å; I285-L288 PolarHBondContact O-N 3.49Å; V286-L288 PolarHBondContact O-N 3.46Å; L288-L291 PolarHBondContact O-N 3.37Å; L288-L292 WeakPolarHBondContact O-CB 3.18Å; L288-L292 PolarHBondContact O-N 3.4Å |
| 289 | F | 94.9 | Very high | 92.8 | Very high | 85 Ų | 85 | 52.2 Ų | 52.2 | 37% | 0.373 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -74.6 | -25.7 | -179.4 | -78.6 | -68.5 | 0 | 0 | 0 | 113.1 | I285 V286 L292 G293 L301 M305 | I285-F289 HydrophobicContact CG2-CD2 3.66Å; I285-F289 HydrophobicContact CG2-CE2 3.86Å; I285-F289 VanDerWaalsContact O-CD2 3.25Å; I285-F289 WeakPolarHBondContact O-CD2 2.89Å; I285-F289 PolarHBondContact O-N 3.11Å; V286-F289 PolarHBondContact O-N 3.48Å; F289-L292 HydrophobicContact CD1-CD2 4Å; F289-L292 HydrophobicContact CE1-CD2 4.19Å; F289-G293 PolarHBondContact O-N 2.95Å; F289-L301 HydrophobicContact CB-CD1 4.24Å; F289-L301 HydrophobicContact CD1-CD1 3.81Å; F289-L301 HydrophobicContact CD1-CD2 4.16Å; F289-L301 HydrophobicContact CG-CD1 4.29Å; F289-M305 HydrophobicContact CB-CE 3.78Å; F289-M305 HydrophobicContact CB-CG 3.55Å; F289-M305 HydrophobicContact CB-SD 3.4Å; F289-M305 WeakPolarHBondContact CB-SD 3.35Å; F289-M305 HydrophobicContact CD2-CE 4.12Å; F289-M305 HydrophobicContact CD2-SD 4.32Å; F289-M305 HydrophobicContact CG-CE 4Å; F289-M305 HydrophobicContact CG-SD 4.17Å |
| 290 | I | 92.2 | Very high | 92.3 | Very high | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.2 | -49.1 | 167.9 | -73.1 | 170 | 0 | 0 | 0 | 110.2 | V118 V286 C287 L292 G293 L294 M305 I468 L472 | V118-I290 HydrophobicContact CG2-CG2 4.11Å; V286-I290 HydrophobicContact CG1-CD1 3.59Å; V286-I290 HydrophobicContact CG1-CG1 4.34Å; V286-I290 WeakPolarHBondContact O-CB 3.44Å; V286-I290 WeakPolarHBondContact O-CD1 3.38Å; V286-I290 WeakPolarHBondContact O-CG1 3.33Å; V286-I290 PolarHBondContact O-N 2.91Å; C287-I290 PolarHBondContact O-N 3.21Å; I290-L292 VanDerWaalsContact C-N 3.31Å; I290-L292 PolarHBondContact O-N 3.04Å; I290-G293 PolarHBondContact O-N 2.91Å; I290-L294 HydrophobicContact CG2-CD1 4.02Å; I290-L294 HydrophobicContact CG2-CG 4.44Å; I290-L294 VanDerWaalsContact O-CG 3.28Å; I290-L294 WeakPolarHBondContact O-CG 3.27Å; I290-L294 PolarHBondContact O-N 3.28Å; I290-M305 HydrophobicContact CD1-CB 4.46Å; I290-M305 HydrophobicContact CG1-CB 3.73Å; I290-M305 HydrophobicContact CG1-CG 4.32Å; I290-I468 HydrophobicContact CD1-CD1 4.48Å; I290-I468 HydrophobicContact CD1-CG2 3.56Å; I290-L472 HydrophobicContact CD1-CD1 4.25Å; I290-L472 HydrophobicContact CG2-CD2 4.22Å |
| 291 | L | 91.3 | Very high | 91.8 | Very high | 66 Ų | 66 | 63.8 Ų | 63.8 | 35% | 0.346 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.1 | -42.3 | 176.5 | -68.6 | 174.3 | 0 | 0 | 0 | 111.7 | V118 C287 L288 L294 A295 | V118-L291 HydrophobicContact CB-CD2 4.21Å; V118-L291 HydrophobicContact CB-CG 4.46Å; V118-L291 HydrophobicContact CG1-CD1 3.69Å; V118-L291 HydrophobicContact CG1-CD2 4Å; V118-L291 HydrophobicContact CG1-CG 3.78Å; V118-L291 HydrophobicContact CG2-CD2 4.31Å; V118-L291 HydrophobicContact CG2-CG 4.49Å; C287-L291 WeakPolarHBondContact O-CG 3.32Å; C287-L291 PolarHBondContact O-N 3.19Å; L288-L291 PolarHBondContact O-N 3.37Å; L291-L294 PolarHBondContact O-N 3.14Å; L291-A295 WeakPolarHBondContact O-CB 3.38Å; L291-A295 PolarHBondContact O-N 3.44Å |
| 292 | L | 91.7 | Very high | 91.4 | Very high | 80 Ų | 80 | 59.9 Ų | 59.9 | 42% | 0.419 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -63.9 | -43.4 | 176.3 | -176.5 | 63.6 | 0 | 0 | 0 | 111.8 | L288 F289 I290 L294 A295 K296 L301 | L288-L292 WeakPolarHBondContact O-CB 3.18Å; L288-L292 PolarHBondContact O-N 3.4Å; F289-L292 HydrophobicContact CD1-CD2 4Å; F289-L292 HydrophobicContact CE1-CD2 4.19Å; I290-L292 VanDerWaalsContact C-N 3.31Å; I290-L292 PolarHBondContact O-N 3.04Å; L292-L294 VanDerWaalsContact C-N 3.33Å; L292-L294 PolarHBondContact O-N 3.27Å; L292-A295 PolarHBondContact O-N 3.02Å; L292-K296 HydrophobicContact CD1-CG 3.78Å; L292-K296 HydrophobicContact CG-CG 4.37Å; L292-K296 WeakPolarHBondContact O-CB 3.3Å; L292-K296 PolarHBondContact O-N 2.89Å; L292-L301 HydrophobicContact CB-CD2 4.33Å; L292-L301 HydrophobicContact CD2-CD2 4.15Å; L292-L301 HydrophobicContact CG-CD2 4.16Å |
| 293 | G | 88.9 | Confident | 90.9 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F289 I290 Q297 A298 | F289-G293 PolarHBondContact O-N 2.95Å; I290-G293 PolarHBondContact O-N 2.91Å; G293-Q297 VanDerWaalsContact O-CA 3.32Å; G293-Q297 WeakPolarHBondContact O-CA 3.24Å; G293-Q297 PolarHBondContact O-N 3.32Å; G293-A298 PolarHBondContact O-N 2.87Å; G293-A298 VanDerWaalsContact O-N 3.1Å |
| 294 | L | 86.5 | Confident | 90.6 | Very high | 30 Ų | 30 | 66.6 Ų | 66.6 | 16% | 0.157 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -67.2 | -42.5 | 173.1 | -68.3 | 173.3 | 0 | 0 | 0 | 111.8 | A114 I290 L291 L292 L302 A475 | A114-L294 HydrophobicContact CB-CD1 4.13Å; I290-L294 HydrophobicContact CG2-CD1 4.02Å; I290-L294 HydrophobicContact CG2-CG 4.44Å; I290-L294 VanDerWaalsContact O-CG 3.28Å; I290-L294 WeakPolarHBondContact O-CG 3.27Å; I290-L294 PolarHBondContact O-N 3.28Å; L291-L294 PolarHBondContact O-N 3.14Å; L292-L294 VanDerWaalsContact C-N 3.33Å; L292-L294 PolarHBondContact O-N 3.27Å; L294-L302 HydrophobicContact CD2-CD1 4.24Å; L294-L302 HydrophobicContact CG-CD2 4.45Å; L294-A475 HydrophobicContact CD2-CB 3.62Å |
| 295 | A | 87.3 | Confident | 90.4 | Very high | 82 Ų | 82 | 64 Ų | 64 | 68% | 0.678 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -71.3 | -37 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L291 L292 | L291-A295 WeakPolarHBondContact O-CB 3.38Å; L291-A295 PolarHBondContact O-N 3.44Å; L292-A295 PolarHBondContact O-N 3.02Å |
| 296 | K | 88.6 | Confident | 90.2 | Very high | 158 Ų | 158 | 61.9 Ų | 61.9 | 69% | 0.687 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -95 | -1.2 | -179.2 | -67.5 | -68.1 | -172.5 | 175.6 | 0 | 113.6 | L292 A298 | L292-K296 HydrophobicContact CD1-CG 3.78Å; L292-K296 HydrophobicContact CG-CG 4.37Å; L292-K296 WeakPolarHBondContact O-CB 3.3Å; L292-K296 PolarHBondContact O-N 2.89Å; K296-A298 HydrophobicContact CB-CB 4.37Å; K296-A298 PolarHBondContact O-N 3.31Å; K296-A298 VanDerWaalsContact O-N 3.16Å |
| 297 | Q | 84 | Confident | 90.1 | Very high | 109 Ų | 109 | 66.4 Ų | 66.4 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 30.7 | -176.5 | -52.7 | -169.7 | -10.4 | 0 | 0 | 113.2 | G293 R299 F479 | G293-Q297 VanDerWaalsContact O-CA 3.32Å; G293-Q297 WeakPolarHBondContact O-CA 3.24Å; G293-Q297 PolarHBondContact O-N 3.32Å; Q297-R299 PolarHBondContact O-N 3.47Å; Q297-F479 HydrophobicContact CB-CB 4.34Å; Q297-F479 HydrophobicContact CB-CD1 3.52Å; Q297-F479 HydrophobicContact CB-CD2 4.11Å; Q297-F479 HydrophobicContact CB-CE1 3.76Å; Q297-F479 HydrophobicContact CB-CE2 4.28Å; Q297-F479 HydrophobicContact CB-CG 3.73Å; Q297-F479 HydrophobicContact CB-CZ 4.13Å; Q297-F479 HydrophobicContact CG-CD1 3.52Å; Q297-F479 HydrophobicContact CG-CE1 3.5Å; Q297-F479 VanDerWaalsContact CG-CE1 3.5Å; Q297-F479 HydrophobicContact CG-CG 4.27Å; Q297-F479 HydrophobicContact CG-CZ 4.19Å |
| 298 | A | 86.1 | Confident | 90.1 | Very high | 34 Ų | 34 | 68.6 Ų | 68.6 | 28% | 0.281 | 35% | 0.345 | S | S | . | . | trans | -84.9 | 96.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | G293 K296 W300 L301 L302 | G293-A298 PolarHBondContact O-N 2.87Å; G293-A298 VanDerWaalsContact O-N 3.1Å; K296-A298 HydrophobicContact CB-CB 4.37Å; K296-A298 PolarHBondContact O-N 3.31Å; K296-A298 VanDerWaalsContact O-N 3.16Å; A298-W300 PolarHBondContact O-N 3.12Å; A298-L301 HydrophobicContact CB-CB 3.94Å; A298-L301 HydrophobicContact CB-CD2 4.49Å; A298-L301 PolarHBondContact O-N 3.25Å; A298-L302 PolarHBondContact O-N 2.83Å | ||
| 299 | R | 84.6 | Confident | 90.2 | Very high | 94 Ų | 94 | 63.9 Ų | 63.9 | 36% | 0.355 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -54.6 | -50.3 | -175.8 | -67.7 | 174.9 | 172.1 | -175.1 | -5.6 | 113.5 | Q297 L301 L302 I303 F479 P480 S481 | Q297-R299 PolarHBondContact O-N 3.47Å; R299-L301 VanDerWaalsContact C-N 3.31Å; R299-L301 PolarHBondContact O-N 3.2Å; R299-L302 PolarHBondContact O-N 2.96Å; R299-I303 WeakPolarHBondContact O-CG1 3.42Å; R299-I303 PolarHBondContact O-N 3.44Å; R299-I303 VanDerWaalsContact O-N 3.08Å; R299-F479 HydrophobicContact CG-CB 4.49Å; R299-F479 HydrophobicContact CG-CD2 4.15Å; R299-F479 PolarHBondContact NH2-O 3.41Å; R299-P480 PolarHBondContact NH2-O 3.07Å; R299-S481 VanDerWaalsContact NH2-CA 3.29Å; R299-S481 VanDerWaalsContact NH2-N 3.15Å |
| 300 | W | 86.6 | Confident | 90.3 | Very high | 219 Ų | 219 | 63.6 Ų | 63.6 | 83% | 0.83 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62 | -37 | -178.9 | -74.2 | 106.8 | 0 | 0 | 0 | 113.2 | A298 I303 L304 | A298-W300 PolarHBondContact O-N 3.12Å; W300-I303 PolarHBondContact O-N 2.98Å; W300-L304 PolarHBondContact O-N 3.12Å; W300-L304 VanDerWaalsContact O-N 3.12Å |
| 301 | L | 89.4 | Confident | 90.5 | Very high | 39 Ų | 39 | 67.6 Ų | 67.6 | 20% | 0.204 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 177.3 | -177.7 | 63.4 | 0 | 0 | 0 | 111.1 | F289 L292 A298 R299 L304 M305 | F289-L301 HydrophobicContact CB-CD1 4.24Å; F289-L301 HydrophobicContact CD1-CD1 3.81Å; F289-L301 HydrophobicContact CD1-CD2 4.16Å; F289-L301 HydrophobicContact CG-CD1 4.29Å; L292-L301 HydrophobicContact CB-CD2 4.33Å; L292-L301 HydrophobicContact CD2-CD2 4.15Å; L292-L301 HydrophobicContact CG-CD2 4.16Å; A298-L301 HydrophobicContact CB-CB 3.94Å; A298-L301 HydrophobicContact CB-CD2 4.49Å; A298-L301 PolarHBondContact O-N 3.25Å; R299-L301 VanDerWaalsContact C-N 3.31Å; R299-L301 PolarHBondContact O-N 3.2Å; L301-L304 PolarHBondContact O-N 3.13Å; L301-M305 HydrophobicContact CD1-CE 4.1Å; L301-M305 HydrophobicContact CD1-CG 4.48Å; L301-M305 VanDerWaalsContact O-CG 3.3Å; L301-M305 WeakPolarHBondContact O-CG 3.32Å; L301-M305 PolarHBondContact O-N 3.31Å |
| 302 | L | 88 | Confident | 90.9 | Very high | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 177.8 | -69.7 | -176.5 | 0 | 0 | 0 | 112.9 | L294 A298 R299 M305 T306 L472 F479 | L294-L302 HydrophobicContact CD2-CD1 4.24Å; L294-L302 HydrophobicContact CG-CD2 4.45Å; A298-L302 PolarHBondContact O-N 2.83Å; R299-L302 PolarHBondContact O-N 2.96Å; L302-M305 PolarHBondContact O-N 3.39Å; L302-T306 WeakPolarHBondContact O-CB 3.18Å; L302-T306 PolarHBondContact O-N 3.39Å; L302-T306 PolarHBondContact O-OG1 2.78Å; L302-L472 HydrophobicContact CD2-CD2 4.02Å; L302-F479 HydrophobicContact CD1-CE2 3.64Å; L302-F479 HydrophobicContact CD1-CZ 4.26Å |
| 303 | I | 88 | Confident | 91.2 | Very high | 78 Ų | 78 | 60.7 Ų | 60.7 | 40% | 0.4 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.3 | -48.6 | 175.3 | -66.9 | 166.6 | 0 | 0 | 0 | 109.9 | R299 W300 M305 T306 V307 | R299-I303 WeakPolarHBondContact O-CG1 3.42Å; R299-I303 PolarHBondContact O-N 3.44Å; R299-I303 VanDerWaalsContact O-N 3.08Å; W300-I303 PolarHBondContact O-N 2.98Å; I303-M305 PolarHBondContact O-N 2.87Å; I303-T306 WeakPolarHBondContact O-CB 3.48Å; I303-T306 PolarHBondContact O-N 3.11Å; I303-V307 PolarHBondContact O-N 2.97Å |
| 304 | L | 91.9 | Very high | 91.6 | Very high | 98 Ų | 98 | 65.2 Ų | 65.2 | 51% | 0.513 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -59.3 | -46.7 | 177 | -179.9 | 66 | 0 | 0 | 0 | 111.6 | W300 L301 T306 V307 L308 | W300-L304 PolarHBondContact O-N 3.12Å; W300-L304 VanDerWaalsContact O-N 3.12Å; L301-L304 PolarHBondContact O-N 3.13Å; L304-T306 VanDerWaalsContact C-N 3.27Å; L304-T306 PolarHBondContact O-N 3.13Å; L304-V307 PolarHBondContact O-N 3.03Å; L304-L308 PolarHBondContact O-N 2.85Å |
| 305 | M | 93.4 | Very high | 92.2 | Very high | 8 Ų | 8 | 67.5 Ų | 67.5 | 4% | 0.039 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67 | -27 | 178.9 | -67.4 | -54.8 | 127.8 | 0 | 0 | 113.3 | F289 I290 L301 L302 I303 L308 A309 | F289-M305 HydrophobicContact CB-CE 3.78Å; F289-M305 HydrophobicContact CB-CG 3.55Å; F289-M305 HydrophobicContact CB-SD 3.4Å; F289-M305 WeakPolarHBondContact CB-SD 3.35Å; F289-M305 HydrophobicContact CD2-CE 4.12Å; F289-M305 HydrophobicContact CD2-SD 4.32Å; F289-M305 HydrophobicContact CG-CE 4Å; F289-M305 HydrophobicContact CG-SD 4.17Å; I290-M305 HydrophobicContact CD1-CB 4.46Å; I290-M305 HydrophobicContact CG1-CB 3.73Å; I290-M305 HydrophobicContact CG1-CG 4.32Å; L301-M305 HydrophobicContact CD1-CE 4.1Å; L301-M305 HydrophobicContact CD1-CG 4.48Å; L301-M305 VanDerWaalsContact O-CG 3.3Å; L301-M305 WeakPolarHBondContact O-CG 3.32Å; L301-M305 PolarHBondContact O-N 3.31Å; L302-M305 PolarHBondContact O-N 3.39Å; I303-M305 PolarHBondContact O-N 2.87Å; M305-L308 HydrophobicContact CE-CD1 3.86Å; M305-L308 PolarHBondContact O-N 2.68Å; M305-L308 HydrophobicContact SD-CD1 3.91Å; M305-A309 VanDerWaalsContact O-CB 3.28Å; M305-A309 WeakPolarHBondContact O-CB 3.42Å; M305-A309 PolarHBondContact O-N 3.13Å |
| 306 | T | 92.4 | Very high | 92.7 | Very high | 18 Ų | 18 | 63.6 Ų | 63.6 | 11% | 0.11 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 174.2 | -56.9 | 0 | 0 | 0 | 0 | 111 | L302 I303 L304 A309 W310 L469 | L302-T306 WeakPolarHBondContact O-CB 3.18Å; L302-T306 PolarHBondContact O-N 3.39Å; L302-T306 PolarHBondContact O-OG1 2.78Å; I303-T306 WeakPolarHBondContact O-CB 3.48Å; I303-T306 PolarHBondContact O-N 3.11Å; L304-T306 VanDerWaalsContact C-N 3.27Å; L304-T306 PolarHBondContact O-N 3.13Å; T306-A309 PolarHBondContact O-N 3.25Å; T306-W310 VanDerWaalsContact O-CD1 3.26Å; T306-W310 PolarHBondContact O-N 3.15Å; T306-L469 HydrophobicContact CG2-CD2 3.86Å |
| 307 | V | 94.6 | Very high | 93.1 | Very high | 96 Ų | 96 | 56.4 Ų | 56.4 | 58% | 0.582 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.5 | -42 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 110.8 | I303 L304 W310 L311 | I303-V307 PolarHBondContact O-N 2.97Å; L304-V307 PolarHBondContact O-N 3.03Å; V307-W310 WeakPolarHBondContact O-CB 3.11Å; V307-W310 PolarHBondContact O-N 3.28Å; V307-L311 PolarHBondContact O-N 3.41Å |
| 308 | L | 96.3 | Very high | 93.8 | Very high | 47 Ų | 47 | 52.9 Ų | 52.9 | 25% | 0.246 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.7 | -33.8 | 176.6 | -65 | 176.4 | 0 | 0 | 0 | 112.7 | V286 L304 M305 W310 L311 A312 | V286-L308 HydrophobicContact CG2-CB 3.54Å; V286-L308 HydrophobicContact CG2-CD1 4.4Å; L304-L308 PolarHBondContact O-N 2.85Å; M305-L308 HydrophobicContact CE-CD1 3.86Å; M305-L308 PolarHBondContact O-N 2.68Å; M305-L308 HydrophobicContact SD-CD1 3.91Å; L308-W310 VanDerWaalsContact C-N 3.33Å; L308-W310 PolarHBondContact O-N 3.38Å; L308-L311 WeakPolarHBondContact O-CB 3.44Å; L308-L311 PolarHBondContact O-N 3.47Å; L308-A312 WeakPolarHBondContact O-CB 3.19Å; L308-A312 PolarHBondContact O-N 3.27Å |
| 309 | A | 96.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.4 | -35.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | V286 M305 T306 L313 F465 I468 L469 | V286-A309 HydrophobicContact CG1-CB 4.02Å; M305-A309 VanDerWaalsContact O-CB 3.28Å; M305-A309 WeakPolarHBondContact O-CB 3.42Å; M305-A309 PolarHBondContact O-N 3.13Å; T306-A309 PolarHBondContact O-N 3.25Å; A309-L313 WeakPolarHBondContact O-CB 3.17Å; A309-L313 PolarHBondContact O-N 3.32Å; A309-F465 HydrophobicContact CB-CD1 3.95Å; A309-F465 HydrophobicContact CB-CE1 4.35Å; A309-I468 HydrophobicContact CB-CG2 4.44Å; A309-L469 HydrophobicContact CB-CD2 3.89Å; A309-L469 HydrophobicContact CB-CG 4.29Å |
| 310 | W | 97.5 | Very high | 94.9 | Very high | 79 Ų | 79 | 48.5 Ų | 48.5 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.2 | -48.7 | 169.5 | -88 | 110.4 | 0 | 0 | 0 | 111.6 | L62 V65 T306 V307 L308 A312 L313 F314 L469 | L62-W310 HydrophobicContact CD2-CE3 4.44Å; L62-W310 HydrophobicContact CD2-CH2 3.85Å; L62-W310 HydrophobicContact CD2-CZ3 3.32Å; V65-W310 HydrophobicContact CB-CH2 4.35Å; V65-W310 HydrophobicContact CG1-CH2 3.86Å; V65-W310 HydrophobicContact CG1-CZ2 3.7Å; T306-W310 VanDerWaalsContact O-CD1 3.26Å; T306-W310 PolarHBondContact O-N 3.15Å; V307-W310 WeakPolarHBondContact O-CB 3.11Å; V307-W310 PolarHBondContact O-N 3.28Å; L308-W310 VanDerWaalsContact C-N 3.33Å; L308-W310 PolarHBondContact O-N 3.38Å; W310-A312 PolarHBondContact O-N 3.04Å; W310-L313 HydrophobicContact CE3-CD2 4.07Å; W310-L313 HydrophobicContact CZ3-CD2 3.91Å; W310-L313 WeakPolarHBondContact O-CB 3.47Å; W310-L313 PolarHBondContact O-N 2.79Å; W310-F314 HydrophobicContact CE3-CD2 4.47Å; W310-F314 AromaticContact CE3-CE2 3.73Å; W310-F314 HydrophobicContact CE3-CE2 3.73Å; W310-F314 HydrophobicContact CE3-CZ 4.32Å; W310-F314 HydrophobicContact CZ3-CE2 4.25Å; W310-F314 HydrophobicContact CZ3-CZ 4.4Å; W310-F314 WeakPolarHBondContact O-CD2 3.45Å; W310-F314 PolarHBondContact O-N 3.24Å; W310-F314 VanDerWaalsContact O-N 3.14Å; W310-L469 HydrophobicContact CD2-CD1 3.8Å; W310-L469 HydrophobicContact CD2-CD2 4.33Å; W310-L469 HydrophobicContact CE3-CD1 3.98Å; W310-L469 HydrophobicContact CG-CD1 4.16Å; W310-L469 HydrophobicContact CG-CD2 4.09Å; W310-L469 HydrophobicContact CZ2-CD1 4.36Å; W310-L469 HydrophobicContact CZ3-CD1 4.32Å |
| 311 | L | 97.8 | Very high | 95.4 | Very high | 85 Ų | 85 | 38.1 Ų | 38.1 | 45% | 0.445 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58.3 | -47.9 | 176.4 | 178.7 | 64.4 | 0 | 0 | 0 | 111.4 | L282 V307 L308 L313 F314 L315 | L282-L311 HydrophobicContact CD2-CD2 4.34Å; L282-L311 HydrophobicContact CD2-CG 4.42Å; V307-L311 PolarHBondContact O-N 3.41Å; L308-L311 WeakPolarHBondContact O-CB 3.44Å; L308-L311 PolarHBondContact O-N 3.47Å; L311-L313 VanDerWaalsContact C-N 3.32Å; L311-L313 PolarHBondContact O-N 3.01Å; L311-F314 PolarHBondContact O-N 3.15Å; L311-L315 HydrophobicContact CD1-CD1 4.12Å; L311-L315 HydrophobicContact CD1-CG 4.25Å; L311-L315 HydrophobicContact CG-CD1 3.95Å; L311-L315 HydrophobicContact CG-CG 4.44Å; L311-L315 WeakPolarHBondContact O-CG 3.17Å; L311-L315 PolarHBondContact O-N 2.81Å |
| 312 | A | 97.9 | Very high | 95.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.9 | -37.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | L282 L308 W310 L315 S316 F465 | L282-A312 HydrophobicContact CD2-CB 4.2Å; L308-A312 WeakPolarHBondContact O-CB 3.19Å; L308-A312 PolarHBondContact O-N 3.27Å; W310-A312 PolarHBondContact O-N 3.04Å; A312-L315 PolarHBondContact O-N 2.86Å; A312-S316 VanDerWaalsContact O-CB 3.26Å; A312-S316 WeakPolarHBondContact O-CB 3.15Å; A312-S316 PolarHBondContact O-N 2.68Å; A312-S316 PolarHBondContact O-OG 3.04Å; A312-F465 HydrophobicContact CB-CD1 4.37Å; A312-F465 HydrophobicContact CB-CD2 3.8Å; A312-F465 HydrophobicContact CB-CE1 4.07Å; A312-F465 HydrophobicContact CB-CE2 3.42Å; A312-F465 VanDerWaalsContact CB-CE2 3.42Å; A312-F465 HydrophobicContact CB-CG 4.27Å; A312-F465 HydrophobicContact CB-CZ 3.59Å |
| 313 | L | 98.1 | Very high | 96.1 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.2 | -50.2 | 173 | 179.4 | 70.4 | 0 | 0 | 0 | 111.6 | L58 L62 A309 W310 L311 S316 W317 G462 F465 T466 L469 | L58-L313 HydrophobicContact CD1-CG 4.3Å; L62-L313 HydrophobicContact CD2-CD2 4.46Å; A309-L313 WeakPolarHBondContact O-CB 3.17Å; A309-L313 PolarHBondContact O-N 3.32Å; W310-L313 HydrophobicContact CE3-CD2 4.07Å; W310-L313 HydrophobicContact CZ3-CD2 3.91Å; W310-L313 WeakPolarHBondContact O-CB 3.47Å; W310-L313 PolarHBondContact O-N 2.79Å; L311-L313 VanDerWaalsContact C-N 3.32Å; L311-L313 PolarHBondContact O-N 3.01Å; L313-S316 PolarHBondContact O-N 2.81Å; L313-W317 VanDerWaalsContact O-CD1 3.3Å; L313-W317 PolarHBondContact O-N 3.42Å; L313-W317 VanDerWaalsContact O-N 3.11Å; L313-G462 VanDerWaalsContact CD1-O 3.24Å; L313-G462 WeakPolarHBondContact CD1-O 2.79Å; L313-F465 HydrophobicContact CB-CB 4.06Å; L313-F465 HydrophobicContact CD1-CB 4.07Å; L313-T466 WeakPolarHBondContact CD1-OG1 3.3Å; L313-L469 HydrophobicContact CB-CD1 4.35Å; L313-L469 HydrophobicContact CD2-CD1 3.8Å |
| 314 | F | 98.1 | Very high | 96.4 | Very high | 96 Ų | 96 | 40.5 Ų | 40.5 | 42% | 0.421 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -63.1 | -43.4 | 179.3 | -76.7 | -71.2 | 0 | 0 | 0 | 111.8 | L58 L62 W310 L311 G318 | L58-F314 HydrophobicContact CD1-CD1 3.97Å; L58-F314 HydrophobicContact CD1-CE1 4.13Å; L58-F314 HydrophobicContact CD2-CD1 3.77Å; L58-F314 HydrophobicContact CD2-CE1 3.99Å; L58-F314 HydrophobicContact CG-CD1 4.44Å; L58-F314 HydrophobicContact CG-CE1 4.46Å; L62-F314 HydrophobicContact CD1-CE1 4.49Å; L62-F314 HydrophobicContact CD2-CE1 4.42Å; L62-F314 HydrophobicContact CD2-CZ 4.1Å; W310-F314 HydrophobicContact CE3-CD2 4.47Å; W310-F314 AromaticContact CE3-CE2 3.73Å; W310-F314 HydrophobicContact CE3-CE2 3.73Å; W310-F314 HydrophobicContact CE3-CZ 4.32Å; W310-F314 HydrophobicContact CZ3-CE2 4.25Å; W310-F314 HydrophobicContact CZ3-CZ 4.4Å; W310-F314 WeakPolarHBondContact O-CD2 3.45Å; W310-F314 PolarHBondContact O-N 3.24Å; W310-F314 VanDerWaalsContact O-N 3.14Å; L311-F314 PolarHBondContact O-N 3.15Å; F314-G318 PolarHBondContact O-N 3.16Å |
| 315 | L | 98.1 | Very high | 96.6 | Very high | 77 Ų | 77 | 36.9 Ų | 36.9 | 40% | 0.403 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -66.8 | -35.4 | 178.2 | -66.2 | 176.2 | 0 | 0 | 0 | 112.3 | L279 L282 L311 A312 S319 | L279-L315 HydrophobicContact CD1-CB 3.66Å; L279-L315 HydrophobicContact CD1-CD1 4.14Å; L282-L315 HydrophobicContact CD2-CD1 3.8Å; L311-L315 HydrophobicContact CD1-CD1 4.12Å; L311-L315 HydrophobicContact CD1-CG 4.25Å; L311-L315 HydrophobicContact CG-CD1 3.95Å; L311-L315 HydrophobicContact CG-CG 4.44Å; L311-L315 WeakPolarHBondContact O-CG 3.17Å; L311-L315 PolarHBondContact O-N 2.81Å; A312-L315 PolarHBondContact O-N 2.86Å; L315-S319 VanDerWaalsContact O-CB 3.27Å; L315-S319 WeakPolarHBondContact O-CB 3.3Å; L315-S319 PolarHBondContact O-N 3.36Å; L315-S319 PolarHBondContact O-OG 3.19Å |
| 316 | S | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -66.3 | -49.3 | 176.8 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | A312 L313 S319 L320 S458 S461 | A312-S316 VanDerWaalsContact O-CB 3.26Å; A312-S316 WeakPolarHBondContact O-CB 3.15Å; A312-S316 PolarHBondContact O-N 2.68Å; A312-S316 PolarHBondContact O-OG 3.04Å; L313-S316 PolarHBondContact O-N 2.81Å; S316-S319 PolarHBondContact O-OG 2.92Å; S316-L320 PolarHBondContact O-N 3.1Å; S316-L320 VanDerWaalsContact O-N 3.08Å; S316-S458 WeakPolarHBondContact O-CB 3.33Å; S316-S461 PolarHBondContact OG-OG 3.28Å |
| 317 | W | 98.4 | Very high | 96.9 | Very high | 7 Ų | 7 | 39 Ų | 39 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -69.9 | -33.8 | 177 | -73.1 | 111.7 | 0 | 0 | 0 | 113.2 | S54 A57 L58 S61 L313 L320 G321 F459 L463 | S54-W317 WeakPolarHBondContact CB-O 3.2Å; S54-W317 PolarHBondContact OG-O 3.4Å; A57-W317 HydrophobicContact CB-CD2 4.37Å; A57-W317 HydrophobicContact CB-CE3 3.69Å; A57-W317 HydrophobicContact CB-CH2 3.53Å; A57-W317 HydrophobicContact CB-CZ2 4.2Å; A57-W317 HydrophobicContact CB-CZ3 3.23Å; L58-W317 HydrophobicContact CB-CB 3.82Å; L58-W317 HydrophobicContact CB-CD2 4.44Å; L58-W317 HydrophobicContact CB-CG 3.83Å; L58-W317 HydrophobicContact CD1-CB 4.04Å; L58-W317 VanDerWaalsContact CD1-CD1 3.47Å; L58-W317 HydrophobicContact CD1-CG 3.95Å; L58-W317 HydrophobicContact CG-CB 4.33Å; L58-W317 HydrophobicContact CG-CG 4.45Å; S61-W317 PolarHBondContact OG-NE1 3.18Å; L313-W317 VanDerWaalsContact O-CD1 3.3Å; L313-W317 PolarHBondContact O-N 3.42Å; L313-W317 VanDerWaalsContact O-N 3.11Å; W317-L320 HydrophobicContact CE3-CD2 3.82Å; W317-L320 HydrophobicContact CZ3-CD2 3.66Å; W317-G321 PolarHBondContact O-N 3.37Å; W317-G321 VanDerWaalsContact O-N 3.16Å; W317-F459 HydrophobicContact CH2-CD2 4.04Å; W317-F459 HydrophobicContact CH2-CE2 4.2Å; W317-F459 HydrophobicContact CZ3-CD2 4.14Å; W317-L463 HydrophobicContact CZ2-CD2 4.34Å |
| 318 | G | 97.6 | Very high | 97 | Very high | 36 Ų | 36 | 34.6 Ų | 34.6 | 37% | 0.371 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -65.1 | -46.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | F314 G321 L322 | F314-G318 PolarHBondContact O-N 3.16Å; G318-G321 PolarHBondContact O-N 2.91Å; G318-L322 PolarHBondContact O-N 3.24Å; G318-L322 VanDerWaalsContact O-N 3.17Å |
| 319 | S | 97.1 | Very high | 97 | Very high | 16 Ų | 16 | 33.2 Ų | 33.2 | 11% | 0.112 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 175.2 | 55.5 | 0 | 0 | 0 | 0 | 111.6 | L315 S316 G321 L322 E323 S458 | L315-S319 VanDerWaalsContact O-CB 3.27Å; L315-S319 WeakPolarHBondContact O-CB 3.3Å; L315-S319 PolarHBondContact O-N 3.36Å; L315-S319 PolarHBondContact O-OG 3.19Å; S316-S319 PolarHBondContact O-OG 2.92Å; S319-G321 PolarHBondContact O-N 3.29Å; S319-L322 PolarHBondContact O-N 3.43Å; S319-L322 VanDerWaalsContact O-N 3.1Å; S319-E323 WeakPolarHBondContact O-CG 3.21Å; S319-E323 PolarHBondContact O-N 3.26Å; S319-S458 PolarHBondContact OG-OG 3.2Å |
| 320 | L | 97.8 | Very high | 97 | Very high | 19 Ų | 19 | 34.2 Ų | 34.2 | 10% | 0.099 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -56.4 | -39.1 | 174.8 | -177.9 | 61.5 | 0 | 0 | 0 | 112.5 | S316 W317 E323 T324 S455 F459 | S316-L320 PolarHBondContact O-N 3.1Å; S316-L320 VanDerWaalsContact O-N 3.08Å; W317-L320 HydrophobicContact CE3-CD2 3.82Å; W317-L320 HydrophobicContact CZ3-CD2 3.66Å; L320-E323 PolarHBondContact O-N 2.89Å; L320-T324 WeakPolarHBondContact O-CB 3.29Å; L320-T324 PolarHBondContact O-N 2.95Å; L320-T324 PolarHBondContact O-OG1 3.44Å; L320-S455 WeakPolarHBondContact CD1-O 3.38Å; L320-F459 HydrophobicContact CD2-CB 4.16Å; L320-F459 HydrophobicContact CD2-CD2 4.23Å |
| 321 | G | 96.8 | Very high | 97 | Very high | 2 Ų | 2 | 30.4 Ų | 30.4 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | S51 S54 W317 G318 S319 A325 | S51-G321 WeakPolarHBondContact CB-O 3.33Å; S51-G321 WeakPolarHBondContact OG-CA 3.2Å; S51-G321 PolarHBondContact OG-O 2.99Å; S54-G321 WeakPolarHBondContact OG-CA 3.2Å; S54-G321 PolarHBondContact OG-N 3Å; W317-G321 PolarHBondContact O-N 3.37Å; W317-G321 VanDerWaalsContact O-N 3.16Å; G318-G321 PolarHBondContact O-N 2.91Å; S319-G321 PolarHBondContact O-N 3.29Å; G321-A325 PolarHBondContact O-N 3.28Å |
| 322 | L | 95.6 | Very high | 96.9 | Very high | 121 Ų | 121 | 26.5 Ų | 26.5 | 63% | 0.634 | 16% | 0.155 | S | C | * | . | H | α-helix | trans | -66.1 | -46.9 | 175.7 | -68.2 | 170.8 | 0 | 0 | 0 | 110.9 | G318 S319 T324 A325 T326 | G318-L322 PolarHBondContact O-N 3.24Å; G318-L322 VanDerWaalsContact O-N 3.17Å; S319-L322 PolarHBondContact O-N 3.43Å; S319-L322 VanDerWaalsContact O-N 3.1Å; L322-T324 VanDerWaalsContact C-N 3.3Å; L322-T324 PolarHBondContact O-N 3.43Å; L322-A325 PolarHBondContact O-N 3.43Å; L322-A325 VanDerWaalsContact O-N 3.16Å; L322-T326 WeakPolarHBondContact O-CG2 3.4Å; L322-T326 PolarHBondContact O-N 2.91Å |
| 323 | E | 95.6 | Very high | 96.7 | Very high | 12 Ų | 12 | 27.9 Ų | 27.9 | 6% | 0.056 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64 | -35.8 | 179.7 | -65.4 | -51.6 | 150 | 0 | 0 | 112.9 | Y276 S319 L320 A325 T326 V327 L451 S455 | Y276-E323 WeakPolarHBondContact CE2-OE1 3.25Å; Y276-E323 VanDerWaalsContact CZ-OE1 3.24Å; Y276-E323 WeakPolarHBondContact OH-CG 3.43Å; Y276-E323 PolarHBondContact OH-OE1 2.85Å; S319-E323 WeakPolarHBondContact O-CG 3.21Å; S319-E323 PolarHBondContact O-N 3.26Å; L320-E323 PolarHBondContact O-N 2.89Å; E323-A325 VanDerWaalsContact C-N 3.27Å; E323-A325 PolarHBondContact O-N 3.03Å; E323-T326 VanDerWaalsContact CA-OG1 3.26Å; E323-T326 WeakPolarHBondContact CA-OG1 3.47Å; E323-T326 PolarHBondContact O-N 3.3Å; E323-T326 PolarHBondContact O-OG1 2.94Å; E323-T326 PolarHBondContact OE2-OG1 3.42Å; E323-T326 VanDerWaalsContact OE2-OG1 3.1Å; E323-V327 WeakPolarHBondContact O-CB 3.2Å; E323-V327 WeakPolarHBondContact O-CG2 3.47Å; E323-V327 PolarHBondContact O-N 2.84Å; E323-L451 WeakPolarHBondContact OE2-CD2 3.26Å; E323-S455 WeakPolarHBondContact CB-OG 3.25Å |
| 324 | T | 95.8 | Very high | 96.6 | Very high | 33 Ų | 33 | 27.9 Ų | 27.9 | 20% | 0.202 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.9 | -41.2 | 176.9 | -60.3 | 0 | 0 | 0 | 0 | 110.8 | L50 L320 L322 V328 | L50-T324 HydrophobicContact CB-CG2 4.39Å; L50-T324 HydrophobicContact CD2-CG2 3.66Å; L50-T324 HydrophobicContact CG-CG2 3.62Å; L320-T324 WeakPolarHBondContact O-CB 3.29Å; L320-T324 PolarHBondContact O-N 2.95Å; L320-T324 PolarHBondContact O-OG1 3.44Å; L322-T324 VanDerWaalsContact C-N 3.3Å; L322-T324 PolarHBondContact O-N 3.43Å; T324-V328 WeakPolarHBondContact O-CG2 3.49Å; T324-V328 PolarHBondContact O-N 2.74Å |
| 325 | A | 95.6 | Very high | 96.4 | Very high | 23 Ų | 23 | 24.5 Ų | 24.5 | 19% | 0.19 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -69 | -43 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | L47 G321 L322 E323 A329 | L47-A325 HydrophobicContact CB-CB 4.38Å; G321-A325 PolarHBondContact O-N 3.28Å; L322-A325 PolarHBondContact O-N 3.43Å; L322-A325 VanDerWaalsContact O-N 3.16Å; E323-A325 VanDerWaalsContact C-N 3.27Å; E323-A325 PolarHBondContact O-N 3.03Å; A325-A329 VanDerWaalsContact O-CB 3.25Å; A325-A329 WeakPolarHBondContact O-CB 3.46Å; A325-A329 PolarHBondContact O-N 3.23Å |
| 326 | T | 95.5 | Very high | 96.1 | Very high | 63 Ų | 63 | 25.5 Ų | 25.5 | 39% | 0.387 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -65.8 | -46.4 | 179.2 | 59.4 | 0 | 0 | 0 | 0 | 111.5 | L322 E323 V328 A329 L330 | L322-T326 WeakPolarHBondContact O-CG2 3.4Å; L322-T326 PolarHBondContact O-N 2.91Å; E323-T326 VanDerWaalsContact CA-OG1 3.26Å; E323-T326 WeakPolarHBondContact CA-OG1 3.47Å; E323-T326 PolarHBondContact O-N 3.3Å; E323-T326 PolarHBondContact O-OG1 2.94Å; E323-T326 PolarHBondContact OE2-OG1 3.42Å; E323-T326 VanDerWaalsContact OE2-OG1 3.1Å; T326-V328 PolarHBondContact O-N 3.38Å; T326-A329 PolarHBondContact O-N 2.84Å; T326-L330 WeakPolarHBondContact O-CB 3.42Å; T326-L330 PolarHBondContact O-N 3.42Å |
| 327 | V | 97 | Very high | 95.8 | Very high | 8 Ų | 8 | 25.9 Ų | 25.9 | 5% | 0.048 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -57.6 | -47.1 | 178.1 | 157.1 | 0 | 0 | 0 | 0 | 111.3 | C19 E323 S331 M448 L451 L452 | C19-V327 HydrophobicContact CB-CG1 4.11Å; C19-V327 WeakPolarHBondContact SG-CG1 3.36Å; E323-V327 WeakPolarHBondContact O-CB 3.2Å; E323-V327 WeakPolarHBondContact O-CG2 3.47Å; E323-V327 PolarHBondContact O-N 2.84Å; V327-S331 WeakPolarHBondContact O-CB 3.3Å; V327-S331 PolarHBondContact O-N 3.22Å; V327-M448 HydrophobicContact CB-CE 3.95Å; V327-M448 HydrophobicContact CG1-CE 3.41Å; V327-M448 VanDerWaalsContact CG1-CE 3.41Å; V327-M448 HydrophobicContact CG2-CE 3.86Å; V327-L451 HydrophobicContact CG2-CB 3.75Å; V327-L452 HydrophobicContact CG1-CD2 3.96Å; V327-L452 HydrophobicContact CG2-CD2 4.45Å |
| 328 | V | 96.4 | Very high | 95.4 | Very high | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.012 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -70 | -44.9 | 179.9 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | L22 L47 L50 T324 T326 L330 S331 D332 | L22-V328 HydrophobicContact CD1-CG2 3.62Å; L47-V328 HydrophobicContact CD2-CB 4.05Å; L47-V328 HydrophobicContact CD2-CG1 3.74Å; L50-V328 HydrophobicContact CD2-CB 4.02Å; L50-V328 HydrophobicContact CD2-CG1 4.3Å; L50-V328 HydrophobicContact CD2-CG2 3.25Å; T324-V328 WeakPolarHBondContact O-CG2 3.49Å; T324-V328 PolarHBondContact O-N 2.74Å; T326-V328 PolarHBondContact O-N 3.38Å; V328-L330 VanDerWaalsContact C-N 3.28Å; V328-L330 PolarHBondContact O-N 3.44Å; V328-S331 PolarHBondContact O-N 3.43Å; V328-S331 VanDerWaalsContact O-N 3.12Å; V328-S331 PolarHBondContact O-OG 2.91Å; V328-D332 PolarHBondContact O-N 3.07Å |
| 329 | A | 96.2 | Very high | 95 | Very high | 18 Ų | 18 | 27.7 Ų | 27.7 | 15% | 0.149 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -60.8 | -41.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | F36 Y43 L47 A325 T326 D332 F333 | F36-A329 VanDerWaalsContact CD2-O 3.27Å; F36-A329 WeakPolarHBondContact CD2-O 3.47Å; F36-A329 HydrophobicContact CE2-CB 4.41Å; F36-A329 VanDerWaalsContact CE2-O 3.3Å; F36-A329 WeakPolarHBondContact CE2-O 3.47Å; Y43-A329 VanDerWaalsContact OH-CA 3.24Å; Y43-A329 WeakPolarHBondContact OH-CA 3.42Å; L47-A329 HydrophobicContact CD1-CB 3.92Å; L47-A329 HydrophobicContact CD2-CB 4.46Å; A325-A329 VanDerWaalsContact O-CB 3.25Å; A325-A329 WeakPolarHBondContact O-CB 3.46Å; A325-A329 PolarHBondContact O-N 3.23Å; T326-A329 PolarHBondContact O-N 2.84Å; A329-D332 PolarHBondContact O-N 3.32Å; A329-F333 PolarHBondContact O-N 3.35Å; A329-F333 VanDerWaalsContact O-N 3.09Å |
| 330 | L | 96.4 | Very high | 94.6 | Very high | 21 Ų | 21 | 29.2 Ų | 29.2 | 11% | 0.11 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -63.4 | -42.6 | 175.1 | 179.1 | 58.6 | 0 | 0 | 0 | 111.4 | T326 V328 D332 F333 C334 L443 M448 L451 | T326-L330 WeakPolarHBondContact O-CB 3.42Å; T326-L330 PolarHBondContact O-N 3.42Å; V328-L330 VanDerWaalsContact C-N 3.28Å; V328-L330 PolarHBondContact O-N 3.44Å; L330-D332 VanDerWaalsContact C-N 3.28Å; L330-D332 PolarHBondContact O-N 2.81Å; L330-F333 HydrophobicContact CD1-CD1 4.41Å; L330-F333 PolarHBondContact O-N 2.87Å; L330-C334 VanDerWaalsContact CD1-SG 3.58Å; L330-C334 VanDerWaalsContact O-CB 3.26Å; L330-C334 WeakPolarHBondContact O-CB 3.33Å; L330-C334 PolarHBondContact O-N 3.35Å; L330-C334 PolarHBondContact O-SG 3.41Å; L330-L443 HydrophobicContact CD1-CD1 3.63Å; L330-L443 HydrophobicContact CD1-CD2 3.94Å; L330-L443 HydrophobicContact CD1-CG 3.62Å; L330-L443 HydrophobicContact CD2-CD1 4.2Å; L330-M448 HydrophobicContact CD2-CB 4.23Å; L330-M448 HydrophobicContact CD2-SD 4.08Å; L330-M448 HydrophobicContact CG-SD 4.27Å; L330-L451 HydrophobicContact CD2-CD1 3.69Å |
| 331 | S | 96.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.4 | -34.2 | 178 | 76.7 | 0 | 0 | 0 | 0 | 113.1 | V16 C19 H20 V327 V328 S335 | V16-S331 WeakPolarHBondContact CG1-O 3.29Å; C19-S331 VanDerWaalsContact CB-CB 3.42Å; C19-S331 WeakPolarHBondContact CB-OG 3.35Å; H20-S331 PolarHBondContact N-OG 3.32Å; V327-S331 WeakPolarHBondContact O-CB 3.3Å; V327-S331 PolarHBondContact O-N 3.22Å; V328-S331 PolarHBondContact O-N 3.43Å; V328-S331 VanDerWaalsContact O-N 3.12Å; V328-S331 PolarHBondContact O-OG 2.91Å; S331-S335 WeakPolarHBondContact O-CB 3.39Å; S331-S335 PolarHBondContact O-N 3.03Å; S331-S335 VanDerWaalsContact O-N 3.08Å; S331-S335 PolarHBondContact O-OG 2.8Å |
| 332 | D | 95.5 | Very high | 93.8 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.2 | -44.5 | 176.7 | -69.7 | -13.4 | 0 | 0 | 0 | 110.6 | H20 R24 F36 V328 A329 L330 S335 | H20-D332 IonicContact CE1-OD1 3.5Å; H20-D332 IonicContact CG-OD1 2.9Å; H20-D332 IonicContact ND1-OD1 3.24Å; H20-D332 PolarHBondContact ND1-OD1 3.43Å; R24-D332 IonicContact CZ-OD1 2.74Å; R24-D332 IonicContact CZ-OD2 3.46Å; R24-D332 IonicContact NE-OD1 2.72Å; R24-D332 IonicContact NE-OD2 3.52Å; R24-D332 PolarHBondContact NE-OD2 3.46Å; R24-D332 IonicContact NH2-OD1 3.38Å; R24-D332 PolarHBondContact NH2-OD1 2.91Å; R24-D332 IonicContact NH2-OD2 3.59Å; R24-D332 PolarHBondContact NH2-OD2 3.2Å; F36-D332 HydrophobicContact CB-CB 4.02Å; F36-D332 HydrophobicContact CD2-CB 4.07Å; V328-D332 PolarHBondContact O-N 3.07Å; A329-D332 PolarHBondContact O-N 3.32Å; L330-D332 VanDerWaalsContact C-N 3.28Å; L330-D332 PolarHBondContact O-N 2.81Å; D332-S335 PolarHBondContact O-N 3.14Å |
| 333 | F | 95.4 | Very high | 93.4 | Very high | 28 Ų | 28 | 30.2 Ų | 30.2 | 12% | 0.123 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.7 | -49.2 | 172.2 | 171 | -101.3 | 0 | 0 | 0 | 112 | F36 A329 L330 S335 E336 P337 F340 V341 L440 L443 | F36-F333 HydrophobicContact CD1-CB 4.09Å; F36-F333 HydrophobicContact CD1-CD2 4.08Å; F36-F333 HydrophobicContact CD2-CB 3.81Å; F36-F333 HydrophobicContact CE1-CB 4.11Å; F36-F333 AromaticContact CE1-CD2 3.92Å; F36-F333 HydrophobicContact CE1-CD2 3.92Å; F36-F333 HydrophobicContact CE1-CG 4.43Å; F36-F333 HydrophobicContact CE2-CB 3.85Å; F36-F333 HydrophobicContact CG-CB 3.93Å; F36-F333 HydrophobicContact CZ-CB 4Å; F36-F333 HydrophobicContact CZ-CD2 4.46Å; A329-F333 PolarHBondContact O-N 3.35Å; A329-F333 VanDerWaalsContact O-N 3.09Å; L330-F333 HydrophobicContact CD1-CD1 4.41Å; L330-F333 PolarHBondContact O-N 2.87Å; F333-S335 PolarHBondContact O-N 2.99Å; F333-E336 CarbonylContact O-C 3.26Å; F333-E336 PolarHBondContact O-N 2.97Å; F333-P337 HydrophobicContact CE1-CB 4.14Å; F333-P337 HydrophobicContact CE2-CB 3.97Å; F333-P337 HydrophobicContact CZ-CB 3.77Å; F333-P337 VanDerWaalsContact O-CA 3.24Å; F333-P337 WeakPolarHBondContact O-CA 3.1Å; F333-P337 WeakPolarHBondContact O-CD 3.24Å; F333-F340 HydrophobicContact CD2-CB 4.3Å; F333-F340 HydrophobicContact CD2-CD1 4.04Å; F333-F340 HydrophobicContact CD2-CG 4.37Å; F333-F340 HydrophobicContact CE2-CB 4.38Å; F333-F340 AromaticContact CE2-CD1 3.84Å; F333-F340 HydrophobicContact CE2-CD1 3.84Å; F333-F340 HydrophobicContact CE2-CG 4.47Å; F333-V341 HydrophobicContact CE2-CG2 4.37Å; F333-L440 HydrophobicContact CE1-CD2 4.02Å; F333-L440 HydrophobicContact CZ-CD2 4.18Å; F333-L443 HydrophobicContact CD1-CD2 4.2Å; F333-L443 HydrophobicContact CE1-CD2 3.83Å |
| 334 | C | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.3 | -17.6 | -177.3 | -71.9 | 0 | 0 | 0 | 0 | 113.5 | Y10 V16 L330 C444 | Y10-C334 VanDerWaalsContact CE1-O 3.3Å; Y10-C334 WeakPolarHBondContact CE1-O 3.39Å; Y10-C334 WeakPolarHBondContact OH-CB 3.49Å; Y10-C334 PolarHBondContact OH-O 2.65Å; V16-C334 HydrophobicContact CB-CB 4.38Å; V16-C334 HydrophobicContact CG1-CB 3.63Å; V16-C334 HydrophobicContact CG2-CB 3.73Å; L330-C334 VanDerWaalsContact CD1-SG 3.58Å; L330-C334 VanDerWaalsContact O-CB 3.26Å; L330-C334 WeakPolarHBondContact O-CB 3.33Å; L330-C334 PolarHBondContact O-N 3.35Å; L330-C334 PolarHBondContact O-SG 3.41Å; C334-C444 VanDerWaalsContact CA-SG 3.59Å; C334-C444 HydrophobicContact CB-CB 3.68Å; C334-C444 WeakPolarHBondContact CB-SG 3.47Å; C334-C444 WeakPolarHBondContact SG-CA 3.38Å; C334-C444 WeakPolarHBondContact SG-CB 3.39Å; C334-C444 CovalentContact SG-SG 2.03Å; C334-C444 PolarHBondContact SG-SG 2.89Å |
| 335 | S | 93.9 | Very high | 92.3 | Very high | 26 Ų | 26 | 30 Ų | 30 | 18% | 0.182 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -76.6 | -37.7 | 176.2 | -66.1 | 0 | 0 | 0 | 0 | 112.2 | H20 S331 D332 F333 | H20-S335 WeakPolarHBondContact CB-OG 3.43Å; H20-S335 PolarHBondContact ND1-OG 3.36Å; S331-S335 WeakPolarHBondContact O-CB 3.39Å; S331-S335 PolarHBondContact O-N 3.03Å; S331-S335 VanDerWaalsContact O-N 3.08Å; S331-S335 PolarHBondContact O-OG 2.8Å; D332-S335 PolarHBondContact O-N 3.14Å; F333-S335 PolarHBondContact O-N 2.99Å |
| 336 | E | 91.1 | Very high | 91.7 | Very high | 98 Ų | 98 | 33.9 Ų | 33.9 | 46% | 0.458 | 18% | 0.184 | S | C | . | . | S | Bend | trans | -143 | 69.4 | 177.5 | -158.6 | 176.7 | -95.9 | 0 | 0 | 112.4 | F333 N338 T339 | F333-E336 CarbonylContact O-C 3.26Å; F333-E336 PolarHBondContact O-N 2.97Å; E336-N338 PolarHBondContact O-N 3.22Å; E336-T339 VanDerWaalsContact CD-OG1 3.27Å; E336-T339 WeakPolarHBondContact CG-OG1 3.33Å; E336-T339 WeakPolarHBondContact OE2-CB 3.23Å; E336-T339 PolarHBondContact OE2-OG1 2.78Å |
| 337 | P | 92.5 | Very high | 90.8 | Very high | 7 Ų | 7 | 36.9 Ų | 36.9 | 5% | 0.045 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70.8 | -31.8 | -170 | 26.8 | -35.1 | 0 | 0 | 0 | 113.3 | Y10 F333 T339 F340 V341 L440 | Y10-P337 HydrophobicContact CD1-CG 4.4Å; Y10-P337 HydrophobicContact CE1-CG 4.1Å; F333-P337 HydrophobicContact CE1-CB 4.14Å; F333-P337 HydrophobicContact CE2-CB 3.97Å; F333-P337 HydrophobicContact CZ-CB 3.77Å; F333-P337 VanDerWaalsContact O-CA 3.24Å; F333-P337 WeakPolarHBondContact O-CA 3.1Å; F333-P337 WeakPolarHBondContact O-CD 3.24Å; P337-T339 VanDerWaalsContact C-N 3.33Å; P337-T339 PolarHBondContact O-N 2.9Å; P337-F340 PolarHBondContact O-N 3.07Å; P337-V341 WeakPolarHBondContact O-CG2 3.04Å; P337-V341 PolarHBondContact O-N 3.48Å; P337-V341 VanDerWaalsContact O-N 3.11Å; P337-L440 HydrophobicContact CB-CD1 4.44Å; P337-L440 HydrophobicContact CB-CD2 3.64Å; P337-L440 HydrophobicContact CG-CD1 3.92Å; P337-L440 HydrophobicContact CG-CD2 3.9Å |
| 338 | N | 90.4 | Very high | 89.7 | Confident | 9 Ų | 9 | 39.1 Ų | 39.1 | 5% | 0.048 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60 | -42.5 | -178 | -76.9 | 13.1 | 0 | 0 | 0 | 112.2 | V7 E336 F340 V341 L342 Y436 | V7-N338 WeakPolarHBondContact CG2-ND2 3.44Å; V7-N338 WeakPolarHBondContact CG2-OD1 3.45Å; E336-N338 PolarHBondContact O-N 3.22Å; N338-F340 VanDerWaalsContact C-N 3.32Å; N338-F340 PolarHBondContact O-N 3.15Å; N338-V341 PolarHBondContact O-N 3.46Å; N338-L342 HydrophobicContact CB-CD1 4.35Å; N338-L342 VanDerWaalsContact O-CB 3.25Å; N338-L342 WeakPolarHBondContact O-CB 3.42Å; N338-L342 WeakPolarHBondContact O-CD1 3.26Å; N338-L342 VanDerWaalsContact O-CG 3.22Å; N338-L342 WeakPolarHBondContact O-CG 3.42Å; N338-L342 PolarHBondContact O-N 2.98Å; N338-Y436 PolarHBondContact OD1-OH 3.14Å |
| 339 | T | 88.3 | Confident | 88.5 | Confident | 73 Ų | 73 | 39.5 Ų | 39.5 | 45% | 0.448 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -60.9 | -44 | -176.1 | -58.2 | 0 | 0 | 0 | 0 | 111 | E336 P337 N343 | E336-T339 VanDerWaalsContact CD-OG1 3.27Å; E336-T339 WeakPolarHBondContact CG-OG1 3.33Å; E336-T339 WeakPolarHBondContact OE2-CB 3.23Å; E336-T339 PolarHBondContact OE2-OG1 2.78Å; P337-T339 VanDerWaalsContact C-N 3.33Å; P337-T339 PolarHBondContact O-N 2.9Å; T339-N343 VanDerWaalsContact O-CB 3.31Å; T339-N343 WeakPolarHBondContact O-CB 3.41Å; T339-N343 PolarHBondContact O-N 3.15Å; T339-N343 VanDerWaalsContact O-N 3.13Å |
| 340 | F | 88.6 | Confident | 87.3 | Confident | 48 Ų | 48 | 41 Ų | 41 | 21% | 0.211 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.1 | -48.2 | 176.7 | 179.6 | -101.1 | 0 | 0 | 0 | 112 | F36 P38 F256 F333 P337 N338 L342 N343 S344 | F36-F340 HydrophobicContact CD1-CB 3.99Å; F36-F340 HydrophobicContact CD1-CD1 4.4Å; F36-F340 AromaticContact CD1-CD2 3.56Å; F36-F340 HydrophobicContact CD1-CD2 3.56Å; F36-F340 HydrophobicContact CD1-CE2 4.14Å; F36-F340 AromaticContact CD1-CG 3.71Å; F36-F340 HydrophobicContact CD1-CG 3.71Å; F36-F340 HydrophobicContact CE1-CB 4.4Å; F36-F340 AromaticContact CE1-CD1 3.97Å; F36-F340 HydrophobicContact CE1-CD1 3.97Å; F36-F340 AromaticContact CE1-CD2 3.52Å; F36-F340 HydrophobicContact CE1-CD2 3.52Å; F36-F340 HydrophobicContact CE1-CE1 4.08Å; F36-F340 AromaticContact CE1-CE2 3.66Å; F36-F340 HydrophobicContact CE1-CE2 3.66Å; F36-F340 AromaticContact CE1-CG 3.68Å; F36-F340 HydrophobicContact CE1-CG 3.68Å; F36-F340 AromaticContact CE1-CZ 3.93Å; F36-F340 HydrophobicContact CE1-CZ 3.93Å; P38-F340 HydrophobicContact CG-CE2 3.73Å; P38-F340 HydrophobicContact CG-CZ 4.24Å; F256-F340 HydrophobicContact CE1-CZ 4.36Å; F333-F340 HydrophobicContact CD2-CB 4.3Å; F333-F340 HydrophobicContact CD2-CD1 4.04Å; F333-F340 HydrophobicContact CD2-CG 4.37Å; F333-F340 HydrophobicContact CE2-CB 4.38Å; F333-F340 AromaticContact CE2-CD1 3.84Å; F333-F340 HydrophobicContact CE2-CD1 3.84Å; F333-F340 HydrophobicContact CE2-CG 4.47Å; P337-F340 PolarHBondContact O-N 3.07Å; N338-F340 VanDerWaalsContact C-N 3.32Å; N338-F340 PolarHBondContact O-N 3.15Å; F340-L342 PolarHBondContact O-N 2.82Å; F340-N343 PolarHBondContact O-N 3.34Å; F340-S344 VanDerWaalsContact CE2-OG 3.32Å; F340-S344 WeakPolarHBondContact CE2-OG 3.28Å; F340-S344 WeakPolarHBondContact CZ-OG 3.46Å; F340-S344 VanDerWaalsContact O-CB 3.29Å; F340-S344 WeakPolarHBondContact O-CB 3.25Å; F340-S344 PolarHBondContact O-N 2.8Å; F340-S344 PolarHBondContact O-OG 3.4Å; F340-S344 VanDerWaalsContact O-OG 3.07Å |
| 341 | V | 89.6 | Confident | 86.4 | Confident | 31 Ų | 31 | 40.9 Ų | 40.9 | 19% | 0.188 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62 | -44.1 | -178.9 | 176 | 0 | 0 | 0 | 0 | 111 | F333 P337 N338 T345 L360 Y436 | F333-V341 HydrophobicContact CE2-CG2 4.37Å; P337-V341 WeakPolarHBondContact O-CG2 3.04Å; P337-V341 PolarHBondContact O-N 3.48Å; P337-V341 VanDerWaalsContact O-N 3.11Å; N338-V341 PolarHBondContact O-N 3.46Å; V341-T345 VanDerWaalsContact O-CB 3.22Å; V341-T345 WeakPolarHBondContact O-CB 3.39Å; V341-T345 PolarHBondContact O-N 3.46Å; V341-T345 PolarHBondContact O-OG1 3.01Å; V341-L360 HydrophobicContact CB-CD1 4.35Å; V341-L360 HydrophobicContact CG1-CD1 4Å; V341-L360 HydrophobicContact CG1-CD2 4.19Å; V341-Y436 HydrophobicContact CG2-CE2 4.25Å |
| 342 | L | 88.1 | Confident | 85.6 | Confident | 42 Ų | 42 | 43.7 Ų | 43.7 | 22% | 0.22 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -58.8 | -52.1 | 177 | -75.6 | 163.3 | 0 | 0 | 0 | 111.8 | N338 F340 Q346 L356 L360 | N338-L342 HydrophobicContact CB-CD1 4.35Å; N338-L342 VanDerWaalsContact O-CB 3.25Å; N338-L342 WeakPolarHBondContact O-CB 3.42Å; N338-L342 WeakPolarHBondContact O-CD1 3.26Å; N338-L342 VanDerWaalsContact O-CG 3.22Å; N338-L342 WeakPolarHBondContact O-CG 3.42Å; N338-L342 PolarHBondContact O-N 2.98Å; F340-L342 PolarHBondContact O-N 2.82Å; L342-Q346 WeakPolarHBondContact O-CB 3.49Å; L342-Q346 PolarHBondContact O-N 2.97Å; L342-L356 HydrophobicContact CD2-CB 3.76Å; L342-L356 HydrophobicContact CD2-CD2 3.75Å; L342-L356 HydrophobicContact CD2-CG 3.54Å; L342-L356 HydrophobicContact CG-CD2 4.43Å; L342-L356 HydrophobicContact CG-CG 4.46Å; L342-L360 HydrophobicContact CD1-CD1 4.49Å; L342-L360 HydrophobicContact CD2-CD1 3.89Å; L342-L360 HydrophobicContact CG-CD1 3.74Å |
| 343 | N | 86.9 | Confident | 84.9 | Confident | 89 Ų | 89 | 46.3 Ų | 46.3 | 48% | 0.476 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -66.3 | -48.1 | -175.7 | -167.1 | 13 | 0 | 0 | 0 | 111.7 | T339 F340 Q346 I347 | T339-N343 VanDerWaalsContact O-CB 3.31Å; T339-N343 WeakPolarHBondContact O-CB 3.41Å; T339-N343 PolarHBondContact O-N 3.15Å; T339-N343 VanDerWaalsContact O-N 3.13Å; F340-N343 PolarHBondContact O-N 3.34Å; N343-Q346 PolarHBondContact O-N 3.43Å; N343-I347 WeakPolarHBondContact O-CB 3.43Å; N343-I347 VanDerWaalsContact O-CG1 3.27Å; N343-I347 WeakPolarHBondContact O-CG1 2.92Å; N343-I347 PolarHBondContact O-N 3.02Å; N343-I347 WeakPolarHBondContact OD1-CD1 3.46Å |
| 344 | S | 85.4 | Confident | 84.4 | Confident | 14 Ų | 14 | 50.7 Ų | 50.7 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -65.6 | -43.5 | -177.8 | -63 | 0 | 0 | 0 | 0 | 112.4 | F340 T348 | F340-S344 VanDerWaalsContact CE2-OG 3.32Å; F340-S344 WeakPolarHBondContact CE2-OG 3.28Å; F340-S344 WeakPolarHBondContact CZ-OG 3.46Å; F340-S344 VanDerWaalsContact O-CB 3.29Å; F340-S344 WeakPolarHBondContact O-CB 3.25Å; F340-S344 PolarHBondContact O-N 2.8Å; F340-S344 PolarHBondContact O-OG 3.4Å; F340-S344 VanDerWaalsContact O-OG 3.07Å; S344-T348 WeakPolarHBondContact O-CB 3.5Å; S344-T348 PolarHBondContact O-N 3.27Å; S344-T348 PolarHBondContact O-OG1 3.09Å |
| 345 | T | 83.7 | Confident | 84 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 17% | 0.172 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -67.3 | -43.7 | 176.3 | -58.8 | 0 | 0 | 0 | 0 | 110.9 | V341 I347 T348 T349 L356 | V341-T345 VanDerWaalsContact O-CB 3.22Å; V341-T345 WeakPolarHBondContact O-CB 3.39Å; V341-T345 PolarHBondContact O-N 3.46Å; V341-T345 PolarHBondContact O-OG1 3.01Å; T345-I347 VanDerWaalsContact C-N 3.34Å; T345-I347 PolarHBondContact O-N 3.21Å; T345-T348 PolarHBondContact O-N 2.87Å; T345-T349 HydrophobicContact CG2-CG2 4.45Å; T345-T349 VanDerWaalsContact CG2-OG1 3.28Å; T345-T349 WeakPolarHBondContact CG2-OG1 3.37Å; T345-T349 PolarHBondContact O-N 3.36Å; T345-T349 PolarHBondContact O-OG1 2.89Å; T345-L356 HydrophobicContact CG2-CD2 3.8Å |
| 346 | Q | 82 | Confident | 83.6 | Confident | 103 Ų | 103 | 51.5 Ų | 51.5 | 48% | 0.481 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -59.3 | -44.2 | 177.2 | -177.4 | -178.9 | -15.6 | 0 | 0 | 112.3 | L342 N343 G350 | L342-Q346 WeakPolarHBondContact O-CB 3.49Å; L342-Q346 PolarHBondContact O-N 2.97Å; N343-Q346 PolarHBondContact O-N 3.43Å; Q346-G350 WeakPolarHBondContact O-CA 3.47Å; Q346-G350 PolarHBondContact O-N 3.29Å; Q346-G350 VanDerWaalsContact O-N 3.13Å |
| 347 | I | 76.5 | Confident | 83.5 | Confident | 126 Ų | 126 | 49.6 Ų | 49.6 | 65% | 0.646 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -66.1 | -41 | -180 | -70.9 | 168.9 | 0 | 0 | 0 | 111.3 | N343 T345 | N343-I347 WeakPolarHBondContact O-CB 3.43Å; N343-I347 VanDerWaalsContact O-CG1 3.27Å; N343-I347 WeakPolarHBondContact O-CG1 2.92Å; N343-I347 PolarHBondContact O-N 3.02Å; N343-I347 WeakPolarHBondContact OD1-CD1 3.46Å; T345-I347 VanDerWaalsContact C-N 3.34Å; T345-I347 PolarHBondContact O-N 3.21Å |
| 348 | T | 74.4 | Confident | 83.3 | Confident | 56 Ų | 56 | 49.9 Ų | 49.9 | 34% | 0.344 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -89.9 | -38.2 | -169.7 | -56.3 | 0 | 0 | 0 | 0 | 113 | P255 F256 S344 T345 | P255-T348 HydrophobicContact CB-CG2 4.32Å; P255-T348 HydrophobicContact CG-CG2 3.99Å; P255-T348 WeakPolarHBondContact O-CG2 3.1Å; F256-T348 HydrophobicContact CB-CG2 4.23Å; F256-T348 HydrophobicContact CD2-CG2 4.05Å; S344-T348 WeakPolarHBondContact O-CB 3.5Å; S344-T348 PolarHBondContact O-N 3.27Å; S344-T348 PolarHBondContact O-OG1 3.09Å; T345-T348 PolarHBondContact O-N 2.87Å |
| 349 | T | 70.9 | Confident | 83.3 | Confident | 9 Ų | 9 | 50.8 Ų | 50.8 | 6% | 0.055 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -109.7 | -5.3 | -174.4 | 70.2 | 0 | 0 | 0 | 0 | 114 | S215 V216 T345 T351 | S215-T349 CarbonylContact C-O 3.43Å; S215-T349 WeakPolarHBondContact CB-O 3.47Å; S215-T349 PolarHBondContact OG-O 3.24Å; V216-T349 HydrophobicContact CG1-CG2 4.39Å; V216-T349 HydrophobicContact CG2-CG2 4.46Å; T345-T349 HydrophobicContact CG2-CG2 4.45Å; T345-T349 VanDerWaalsContact CG2-OG1 3.28Å; T345-T349 WeakPolarHBondContact CG2-OG1 3.37Å; T345-T349 PolarHBondContact O-N 3.36Å; T345-T349 PolarHBondContact O-OG1 2.89Å; T349-T351 PolarHBondContact O-N 3.42Å; T349-T351 VanDerWaalsContact O-N 3.12Å; T349-T351 PolarHBondContact OG1-OG1 2.85Å |
| 350 | G | 71.3 | Confident | 83.4 | Confident | 49 Ų | 49 | 47.7 Ų | 47.7 | 51% | 0.505 | 27% | 0.273 | S | S | . | . | trans | 64.9 | 13.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q346 | Q346-G350 WeakPolarHBondContact O-CA 3.47Å; Q346-G350 PolarHBondContact O-N 3.29Å; Q346-G350 VanDerWaalsContact O-N 3.13Å | ||
| 351 | T | 77.1 | Confident | 83.4 | Confident | 20 Ų | 20 | 46.6 Ų | 46.6 | 12% | 0.123 | 27% | 0.27 | C | S | . | . | trans | -67.6 | 136 | -179 | -54.2 | 0 | 0 | 0 | 0 | 110.2 | T349 V355 | T349-T351 PolarHBondContact O-N 3.42Å; T349-T351 VanDerWaalsContact O-N 3.12Å; T349-T351 PolarHBondContact OG1-OG1 2.85Å; T351-V355 HydrophobicContact CG2-CB 4.44Å; T351-V355 HydrophobicContact CG2-CG1 4.42Å | ||
| 352 | S | 80.2 | Confident | 83.4 | Confident | 59 Ų | 59 | 46.2 Ų | 46.2 | 41% | 0.413 | 27% | 0.269 | S | S | . | . | trans | -61.2 | 137.9 | 178.3 | 60 | 0 | 0 | 0 | 0 | 112 | D354 V355 L356 | S352-D354 PolarHBondContact O-N 3.47Å; S352-V355 PolarHBondContact O-N 3.03Å; S352-V355 WeakPolarHBondContact OG-CB 3.45Å; S352-V355 WeakPolarHBondContact OG-CG2 3.41Å; S352-L356 PolarHBondContact O-N 3.22Å | ||
| 353 | S | 81.5 | Confident | 83.4 | Confident | 57 Ų | 57 | 46.6 Ų | 46.6 | 40% | 0.399 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -52.5 | -38.1 | 178.1 | 53 | 0 | 0 | 0 | 0 | 113.2 | V355 L356 D357 | S353-V355 PolarHBondContact O-N 3.28Å; S353-L356 PolarHBondContact O-N 2.62Å; S353-D357 WeakPolarHBondContact O-CB 3.49Å; S353-D357 PolarHBondContact O-N 2.69Å |
| 354 | D | 83.3 | Confident | 83 | Confident | 120 Ų | 120 | 54.4 Ų | 54.4 | 64% | 0.642 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -69.1 | -35.2 | -174.9 | -58.9 | -10.9 | 0 | 0 | 0 | 112.4 | S352 Y358 | S352-D354 PolarHBondContact O-N 3.47Å; D354-Y358 WeakPolarHBondContact O-CB 3.47Å; D354-Y358 PolarHBondContact O-N 3.49Å; D354-Y358 VanDerWaalsContact O-N 3.11Å |
| 355 | V | 87.1 | Confident | 82.8 | Confident | 21 Ų | 21 | 58.6 Ų | 58.6 | 13% | 0.127 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -70.4 | -40.7 | 175.4 | 173.5 | 0 | 0 | 0 | 0 | 110.1 | T351 S352 S353 Y358 Y359 P369 F370 | T351-V355 HydrophobicContact CG2-CB 4.44Å; T351-V355 HydrophobicContact CG2-CG1 4.42Å; S352-V355 PolarHBondContact O-N 3.03Å; S352-V355 WeakPolarHBondContact OG-CB 3.45Å; S352-V355 WeakPolarHBondContact OG-CG2 3.41Å; S353-V355 PolarHBondContact O-N 3.28Å; V355-Y358 WeakPolarHBondContact O-CB 3.25Å; V355-Y358 PolarHBondContact O-N 3.08Å; V355-Y359 HydrophobicContact CG1-CD2 4.04Å; V355-Y359 HydrophobicContact CG1-CE2 3.82Å; V355-Y359 WeakPolarHBondContact O-CD2 3.27Å; V355-Y359 PolarHBondContact O-N 3.05Å; V355-P369 HydrophobicContact CG2-CB 4.24Å; V355-P369 HydrophobicContact CG2-CG 3.98Å; V355-F370 HydrophobicContact CG1-CE2 4.41Å; V355-F370 HydrophobicContact CG1-CZ 4.02Å; V355-F370 HydrophobicContact CG2-CZ 4.24Å |
| 356 | L | 87.4 | Confident | 82.8 | Confident | 22 Ų | 22 | 60.1 Ų | 60.1 | 12% | 0.115 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.8 | -43 | -178.8 | -168.5 | 52.2 | 0 | 0 | 0 | 111.4 | L342 T345 S352 S353 Y358 Y359 L360 | L342-L356 HydrophobicContact CD2-CB 3.76Å; L342-L356 HydrophobicContact CD2-CD2 3.75Å; L342-L356 HydrophobicContact CD2-CG 3.54Å; L342-L356 HydrophobicContact CG-CD2 4.43Å; L342-L356 HydrophobicContact CG-CG 4.46Å; T345-L356 HydrophobicContact CG2-CD2 3.8Å; S352-L356 PolarHBondContact O-N 3.22Å; S353-L356 PolarHBondContact O-N 2.62Å; L356-Y358 VanDerWaalsContact C-N 3.3Å; L356-Y358 PolarHBondContact O-N 2.86Å; L356-Y359 PolarHBondContact O-N 2.9Å; L356-Y359 VanDerWaalsContact O-N 3.13Å; L356-L360 HydrophobicContact CD1-CD1 4.09Å; L356-L360 HydrophobicContact CD1-CG 4.08Å; L356-L360 HydrophobicContact CG-CD1 3.87Å; L356-L360 HydrophobicContact CG-CG 4.27Å; L356-L360 WeakPolarHBondContact O-CG 3.19Å; L356-L360 PolarHBondContact O-N 3.48Å |
| 357 | D | 87.6 | Confident | 82.9 | Confident | 58 Ų | 58 | 62 Ų | 62 | 31% | 0.31 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.7 | -38 | 173.3 | -176.5 | 49.5 | 0 | 0 | 0 | 112.2 | S353 Y359 L360 T361 M366 | S353-D357 WeakPolarHBondContact O-CB 3.49Å; S353-D357 PolarHBondContact O-N 2.69Å; D357-Y359 VanDerWaalsContact C-N 3.3Å; D357-Y359 PolarHBondContact O-N 3.16Å; D357-L360 PolarHBondContact O-N 3.19Å; D357-T361 VanDerWaalsContact O-CB 3.3Å; D357-T361 WeakPolarHBondContact O-CB 3.44Å; D357-T361 PolarHBondContact O-N 3.23Å; D357-T361 PolarHBondContact OD1-OG1 3.22Å; D357-M366 VanDerWaalsContact OD2-CE 3.3Å; D357-M366 WeakPolarHBondContact OD2-CE 3.45Å |
| 358 | Y | 89.3 | Confident | 83.4 | Confident | 13 Ų | 13 | 57 Ų | 57 | 5% | 0.051 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.8 | -41.6 | 173.5 | 169.1 | -103.3 | 0 | 0 | 0 | 112.6 | D354 V355 L356 C362 M366 P369 L427 C429 | D354-Y358 WeakPolarHBondContact O-CB 3.47Å; D354-Y358 PolarHBondContact O-N 3.49Å; D354-Y358 VanDerWaalsContact O-N 3.11Å; V355-Y358 WeakPolarHBondContact O-CB 3.25Å; V355-Y358 PolarHBondContact O-N 3.08Å; L356-Y358 VanDerWaalsContact C-N 3.3Å; L356-Y358 PolarHBondContact O-N 2.86Å; Y358-C362 WeakPolarHBondContact O-CA 3.22Å; Y358-C362 PolarHBondContact O-N 3.36Å; Y358-M366 HydrophobicContact CD2-CB 4.41Å; Y358-P369 HydrophobicContact CD1-CG 4.27Å; Y358-P369 HydrophobicContact CG-CG 4.39Å; Y358-L427 PolarHBondContact OH-O 3.1Å; Y358-C429 HydrophobicContact CD1-CB 4Å; Y358-C429 HydrophobicContact CD2-CB 4.33Å; Y358-C429 HydrophobicContact CE1-CB 3.61Å; Y358-C429 HydrophobicContact CE2-CB 3.95Å; Y358-C429 HydrophobicContact CG-CB 4.36Å; Y358-C429 VanDerWaalsContact O-CB 3.25Å; Y358-C429 WeakPolarHBondContact O-CB 3.25Å; Y358-C429 PolarHBondContact OH-N 3.17Å |
| 359 | Y | 89.9 | Confident | 84.1 | Confident | 28 Ų | 28 | 57 Ų | 57 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -80.4 | -36.4 | 178.7 | -73.3 | -66.5 | 0 | 0 | 0 | 113.6 | V355 L356 D357 F370 L427 C429 L432 N433 | V355-Y359 HydrophobicContact CG1-CD2 4.04Å; V355-Y359 HydrophobicContact CG1-CE2 3.82Å; V355-Y359 WeakPolarHBondContact O-CD2 3.27Å; V355-Y359 PolarHBondContact O-N 3.05Å; L356-Y359 PolarHBondContact O-N 2.9Å; L356-Y359 VanDerWaalsContact O-N 3.13Å; D357-Y359 VanDerWaalsContact C-N 3.3Å; D357-Y359 PolarHBondContact O-N 3.16Å; Y359-F370 HydrophobicContact CE2-CE2 4.32Å; Y359-L427 PolarHBondContact OH-O 3.14Å; Y359-C429 HydrophobicContact CD1-CB 4.04Å; Y359-C429 HydrophobicContact CE1-CB 4.48Å; Y359-L432 HydrophobicContact CD1-CB 3.8Å; Y359-L432 HydrophobicContact CD1-CD1 3.65Å; Y359-L432 HydrophobicContact CD1-CG 4.38Å; Y359-L432 HydrophobicContact CE1-CB 4.35Å; Y359-L432 HydrophobicContact CE1-CD1 3.52Å; Y359-L432 HydrophobicContact CG-CD1 4.28Å; Y359-N433 VanDerWaalsContact O-CB 3.28Å; Y359-N433 WeakPolarHBondContact O-CB 3.48Å; Y359-N433 PolarHBondContact O-ND2 3.43Å |
| 360 | L | 90.1 | Very high | 85 | Confident | 9 Ų | 9 | 57.4 Ų | 57.4 | 5% | 0.047 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -78.6 | -37.5 | -177.9 | -63.5 | -179.7 | 0 | 0 | 0 | 113.1 | V7 V341 L342 L356 D357 N433 Y436 | V7-L360 WeakPolarHBondContact CG1-O 3.46Å; V341-L360 HydrophobicContact CB-CD1 4.35Å; V341-L360 HydrophobicContact CG1-CD1 4Å; V341-L360 HydrophobicContact CG1-CD2 4.19Å; L342-L360 HydrophobicContact CD1-CD1 4.49Å; L342-L360 HydrophobicContact CD2-CD1 3.89Å; L342-L360 HydrophobicContact CG-CD1 3.74Å; L356-L360 HydrophobicContact CD1-CD1 4.09Å; L356-L360 HydrophobicContact CD1-CG 4.08Å; L356-L360 HydrophobicContact CG-CD1 3.87Å; L356-L360 HydrophobicContact CG-CG 4.27Å; L356-L360 WeakPolarHBondContact O-CG 3.19Å; L356-L360 PolarHBondContact O-N 3.48Å; D357-L360 PolarHBondContact O-N 3.19Å; L360-N433 VanDerWaalsContact C-ND2 3.33Å; L360-N433 PolarHBondContact O-ND2 2.81Å; L360-Y436 HydrophobicContact CB-CE1 4.45Å; L360-Y436 HydrophobicContact CD2-CD1 3.8Å; L360-Y436 HydrophobicContact CD2-CD2 3.86Å; L360-Y436 HydrophobicContact CD2-CE1 3.77Å; L360-Y436 HydrophobicContact CD2-CE2 3.84Å; L360-Y436 HydrophobicContact CD2-CG 3.84Å |
| 361 | T | 88.6 | Confident | 85.9 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 15% | 0.153 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -92.3 | -40.3 | -177.3 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | P8 D357 S363 M366 | P8-T361 WeakPolarHBondContact CD-O 3.48Å; P8-T361 WeakPolarHBondContact CG-O 3.06Å; D357-T361 VanDerWaalsContact O-CB 3.3Å; D357-T361 WeakPolarHBondContact O-CB 3.44Å; D357-T361 PolarHBondContact O-N 3.23Å; D357-T361 PolarHBondContact OD1-OG1 3.22Å; T361-S363 PolarHBondContact O-N 3.06Å; T361-M366 HydrophobicContact CG2-SD 4.34Å |
| 362 | C | 90.4 | Very high | 86.5 | Confident | 23 Ų | 23 | 65.5 Ų | 65.5 | 16% | 0.155 | 35% | 0.347 | C | S | . | . | trans | 40.2 | 56.6 | 176.7 | -165.8 | 0 | 0 | 0 | 0 | 114.8 | Y358 C429 R430 N433 | Y358-C362 WeakPolarHBondContact O-CA 3.22Å; Y358-C362 PolarHBondContact O-N 3.36Å; C362-C429 VanDerWaalsContact CA-SG 3.53Å; C362-C429 HydrophobicContact CB-CB 3.72Å; C362-C429 WeakPolarHBondContact CB-SG 3.38Å; C362-C429 WeakPolarHBondContact SG-CB 3.42Å; C362-C429 CovalentContact SG-SG 2.06Å; C362-C429 PolarHBondContact SG-SG 2.87Å; C362-R430 PolarHBondContact SG-N 3.17Å; C362-N433 HydrophobicContact CB-CB 3.64Å; C362-N433 VanDerWaalsContact CB-CG 3.47Å | ||
| 363 | S | 86.8 | Confident | 87 | Confident | 49 Ų | 49 | 64.6 Ų | 64.6 | 34% | 0.343 | 34% | 0.338 | S | S | . | . | trans | -81.4 | 153.3 | 177 | 177.3 | 0 | 0 | 0 | 0 | 112.7 | T361 S365 M366 | T361-S363 PolarHBondContact O-N 3.06Å; S363-S365 PolarHBondContact O-N 3.31Å; S363-S365 PolarHBondContact OG-OG 2.97Å; S363-M366 PolarHBondContact O-N 2.82Å | ||
| 364 | R | 80.5 | Confident | 87.5 | Confident | 253 Ų | 253 | 62.4 Ų | 62.4 | 96% | 0.955 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | -23.5 | 177.8 | -67.1 | -175.5 | -178.2 | -176.6 | 1.4 | 113.8 | ||
| 365 | S | 79.6 | Confident | 88 | Confident | 102 Ų | 102 | 59.4 Ų | 59.4 | 71% | 0.713 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -5 | -179.1 | 58.8 | 0 | 0 | 0 | 0 | 113.7 | S363 | S363-S365 PolarHBondContact O-N 3.31Å; S363-S365 PolarHBondContact OG-OG 2.97Å |
| 366 | M | 83.4 | Confident | 88.3 | Confident | 60 Ų | 60 | 61.7 Ų | 61.7 | 30% | 0.296 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -86.6 | 134 | -179.7 | -65.5 | 180 | 88 | 0 | 0 | 110.3 | D357 Y358 T361 S363 | D357-M366 VanDerWaalsContact OD2-CE 3.3Å; D357-M366 WeakPolarHBondContact OD2-CE 3.45Å; Y358-M366 HydrophobicContact CD2-CB 4.41Å; T361-M366 HydrophobicContact CG2-SD 4.34Å; S363-M366 PolarHBondContact O-N 2.82Å |
| 367 | N | 84.9 | Confident | 88.6 | Confident | 144 Ų | 144 | 60.7 Ų | 60.7 | 77% | 0.77 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -92 | 145.3 | 173 | -68 | -37.1 | 0 | 0 | 0 | 109.6 | ||
| 368 | S | 86.8 | Confident | 89 | Confident | 20 Ų | 20 | 60.8 Ų | 60.8 | 14% | 0.14 | 31% | 0.31 | C | S | . | . | P | Polyproline II helix | trans | -60.2 | 131.6 | 175.2 | 176.4 | 0 | 0 | 0 | 0 | 110.3 | F370 Q371 | S368-F370 PolarHBondContact O-N 2.86Å; S368-F370 VanDerWaalsContact O-N 3.13Å; S368-F370 PolarHBondContact OG-N 2.59Å; S368-Q371 WeakPolarHBondContact O-CB 3.33Å; S368-Q371 PolarHBondContact O-N 2.84Å |
| 369 | P | 88.4 | Confident | 89.3 | Confident | 55 Ų | 55 | 67.6 Ų | 67.6 | 36% | 0.357 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -20.7 | 173.2 | 25.8 | -33 | 0 | 0 | 0 | 111.6 | V355 Y358 | V355-P369 HydrophobicContact CG2-CB 4.24Å; V355-P369 HydrophobicContact CG2-CG 3.98Å; Y358-P369 HydrophobicContact CD1-CG 4.27Å; Y358-P369 HydrophobicContact CG-CG 4.39Å |
| 370 | F | 89.9 | Confident | 89.5 | Confident | 18 Ų | 18 | 66.7 Ų | 66.7 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.3 | -3.8 | 178.5 | -49.1 | -66.8 | 0 | 0 | 0 | 113.4 | I209 V355 Y359 S368 Q372 L373 L374 L427 | I209-F370 HydrophobicContact CG1-CD1 4.14Å; I209-F370 HydrophobicContact CG2-CD1 3.94Å; I209-F370 HydrophobicContact CG2-CE1 3.98Å; V355-F370 HydrophobicContact CG1-CE2 4.41Å; V355-F370 HydrophobicContact CG1-CZ 4.02Å; V355-F370 HydrophobicContact CG2-CZ 4.24Å; Y359-F370 HydrophobicContact CE2-CE2 4.32Å; S368-F370 PolarHBondContact O-N 2.86Å; S368-F370 VanDerWaalsContact O-N 3.13Å; S368-F370 PolarHBondContact OG-N 2.59Å; F370-Q372 VanDerWaalsContact C-N 3.32Å; F370-Q372 PolarHBondContact O-N 2.98Å; F370-L373 PolarHBondContact O-N 3.44Å; F370-L373 VanDerWaalsContact O-N 3.15Å; F370-L374 HydrophobicContact CB-CD1 3.98Å; F370-L374 HydrophobicContact CB-CG 4.2Å; F370-L374 WeakPolarHBondContact O-CB 3.31Å; F370-L374 VanDerWaalsContact O-CG 3.3Å; F370-L374 WeakPolarHBondContact O-CG 3.44Å; F370-L374 PolarHBondContact O-N 2.99Å; F370-L427 HydrophobicContact CD2-CB 4.5Å; F370-L427 HydrophobicContact CD2-CD2 4.08Å; F370-L427 HydrophobicContact CE2-CD2 4.16Å |
| 371 | Q | 90.1 | Very high | 89.7 | Confident | 106 Ų | 106 | 66.9 Ų | 66.9 | 50% | 0.495 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -55.6 | -45.1 | -172.1 | -175.3 | 64.9 | 24.3 | 0 | 0 | 112.5 | S368 T375 | S368-Q371 WeakPolarHBondContact O-CB 3.33Å; S368-Q371 PolarHBondContact O-N 2.84Å; Q371-T375 VanDerWaalsContact O-CB 3.28Å; Q371-T375 WeakPolarHBondContact O-CB 3.44Å; Q371-T375 PolarHBondContact O-N 3.28Å; Q371-T375 PolarHBondContact O-OG1 2.83Å |
| 372 | Q | 91.3 | Very high | 90 | Very high | 134 Ų | 134 | 69 Ų | 69 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.4 | -45 | -179.4 | 180 | 172.3 | -25.6 | 0 | 0 | 111.5 | F370 T375 Q376 | F370-Q372 VanDerWaalsContact C-N 3.32Å; F370-Q372 PolarHBondContact O-N 2.98Å; Q372-T375 PolarHBondContact O-N 2.82Å; Q372-Q376 WeakPolarHBondContact O-CB 3.35Å; Q372-Q376 VanDerWaalsContact O-CG 3.29Å; Q372-Q376 WeakPolarHBondContact O-CG 3.31Å; Q372-Q376 PolarHBondContact O-N 3.2Å |
| 373 | L | 90.5 | Very high | 90.3 | Very high | 39 Ų | 39 | 69.8 Ų | 69.8 | 20% | 0.204 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.4 | -48.5 | 179.9 | -74.6 | 71.8 | 0 | 0 | 0 | 110.3 | L205 S208 I209 F370 T375 Q376 S377 | L205-L373 HydrophobicContact CD2-CG 4.49Å; S208-L373 WeakPolarHBondContact OG-CD2 3.41Å; I209-L373 HydrophobicContact CD1-CB 4.24Å; I209-L373 HydrophobicContact CD1-CD2 4.27Å; I209-L373 HydrophobicContact CG1-CB 4.38Å; I209-L373 HydrophobicContact CG1-CD2 3.53Å; F370-L373 PolarHBondContact O-N 3.44Å; F370-L373 VanDerWaalsContact O-N 3.15Å; L373-T375 PolarHBondContact O-N 3.29Å; L373-Q376 PolarHBondContact O-N 3.45Å; L373-S377 PolarHBondContact O-N 3.25Å; L373-S377 PolarHBondContact O-OG 3.39Å |
| 374 | L | 91.6 | Very high | 90.7 | Very high | 12 Ų | 12 | 67.5 Ų | 67.5 | 6% | 0.063 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.4 | -43 | 178.6 | -66.1 | 172.1 | 0 | 0 | 0 | 111.7 | I209 F370 Q376 S377 Q378 F420 V424 L427 | I209-L374 HydrophobicContact CD1-CD2 4.18Å; F370-L374 HydrophobicContact CB-CD1 3.98Å; F370-L374 HydrophobicContact CB-CG 4.2Å; F370-L374 WeakPolarHBondContact O-CB 3.31Å; F370-L374 VanDerWaalsContact O-CG 3.3Å; F370-L374 WeakPolarHBondContact O-CG 3.44Å; F370-L374 PolarHBondContact O-N 2.99Å; L374-Q376 VanDerWaalsContact C-N 3.31Å; L374-Q376 PolarHBondContact O-N 3.25Å; L374-S377 PolarHBondContact O-N 3.05Å; L374-Q378 WeakPolarHBondContact O-CB 3.4Å; L374-Q378 PolarHBondContact O-N 3.14Å; L374-F420 HydrophobicContact CB-CZ 4.18Å; L374-F420 HydrophobicContact CD2-CE2 3.88Å; L374-F420 HydrophobicContact CD2-CZ 3.78Å; L374-F420 WeakPolarHBondContact O-CZ 3.29Å; L374-V424 HydrophobicContact CD1-CG2 4.26Å; L374-V424 HydrophobicContact CD2-CG2 4Å; L374-L427 HydrophobicContact CD1-CD1 4.03Å; L374-L427 HydrophobicContact CD2-CD1 3.94Å; L374-L427 HydrophobicContact CG-CD1 4.43Å |
| 375 | T | 93.1 | Very high | 91.3 | Very high | 56 Ų | 56 | 59 Ų | 59 | 34% | 0.344 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.9 | -33 | 178.9 | -54.4 | 0 | 0 | 0 | 0 | 112 | Q371 Q372 L373 R379 | Q371-T375 VanDerWaalsContact O-CB 3.28Å; Q371-T375 WeakPolarHBondContact O-CB 3.44Å; Q371-T375 PolarHBondContact O-N 3.28Å; Q371-T375 PolarHBondContact O-OG1 2.83Å; Q372-T375 PolarHBondContact O-N 2.82Å; L373-T375 PolarHBondContact O-N 3.29Å; T375-R379 WeakPolarHBondContact O-CG 3.44Å; T375-R379 PolarHBondContact O-N 2.97Å; T375-R379 PolarHBondContact O-NE 3.45Å |
| 376 | Q | 94.7 | Very high | 92 | Very high | 70 Ų | 70 | 57.8 Ų | 57.8 | 33% | 0.327 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -72.8 | -44.5 | 174.9 | -72.8 | -177.8 | 15.1 | 0 | 0 | 111.5 | L205 Q372 L373 L374 R379 A380 | L205-Q376 HydrophobicContact CD1-CB 3.69Å; Q372-Q376 WeakPolarHBondContact O-CB 3.35Å; Q372-Q376 VanDerWaalsContact O-CG 3.29Å; Q372-Q376 WeakPolarHBondContact O-CG 3.31Å; Q372-Q376 PolarHBondContact O-N 3.2Å; L373-Q376 PolarHBondContact O-N 3.45Å; L374-Q376 VanDerWaalsContact C-N 3.31Å; L374-Q376 PolarHBondContact O-N 3.25Å; Q376-R379 PolarHBondContact O-N 3.41Å; Q376-A380 PolarHBondContact O-N 3.29Å |
| 377 | S | 94 | Very high | 92.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 176.4 | -63.6 | 0 | 0 | 0 | 0 | 111.9 | L205 L373 L374 R379 A380 L381 | L205-S377 WeakPolarHBondContact CB-OG 3.49Å; L373-S377 PolarHBondContact O-N 3.25Å; L373-S377 PolarHBondContact O-OG 3.39Å; L374-S377 PolarHBondContact O-N 3.05Å; S377-R379 PolarHBondContact O-N 2.95Å; S377-A380 PolarHBondContact O-N 2.99Å; S377-L381 WeakPolarHBondContact O-CG 3.11Å; S377-L381 PolarHBondContact O-N 3.43Å |
| 378 | Q | 94.3 | Very high | 92.9 | Very high | 60 Ų | 60 | 50.3 Ų | 50.3 | 28% | 0.28 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.4 | -42.1 | 177.9 | -173.1 | 64.4 | 8.8 | 0 | 0 | 112.4 | L374 A380 L381 S382 F420 | L374-Q378 WeakPolarHBondContact O-CB 3.4Å; L374-Q378 PolarHBondContact O-N 3.14Å; Q378-A380 VanDerWaalsContact C-N 3.34Å; Q378-L381 PolarHBondContact O-N 3.44Å; Q378-S382 WeakPolarHBondContact O-CB 3.39Å; Q378-S382 PolarHBondContact O-N 3.23Å; Q378-F420 HydrophobicContact CB-CE1 3.87Å; Q378-F420 HydrophobicContact CB-CZ 4.31Å; Q378-F420 HydrophobicContact CG-CE1 4.45Å |
| 379 | R | 95.3 | Very high | 93.2 | Very high | 156 Ų | 156 | 52.1 Ų | 52.1 | 59% | 0.589 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -64.3 | -40.2 | 176.8 | -80.5 | -178.1 | -76.8 | 148.8 | -13.5 | 111.8 | T375 Q376 S377 S383 | T375-R379 WeakPolarHBondContact O-CG 3.44Å; T375-R379 PolarHBondContact O-N 2.97Å; T375-R379 PolarHBondContact O-NE 3.45Å; Q376-R379 PolarHBondContact O-N 3.41Å; S377-R379 PolarHBondContact O-N 2.95Å; R379-S383 WeakPolarHBondContact O-CB 3.45Å; R379-S383 PolarHBondContact O-N 3.4Å |
| 380 | A | 95.1 | Very high | 93.4 | Very high | 10 Ų | 10 | 52 Ų | 52 | 8% | 0.083 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.4 | -46.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L198 V202 Q376 S377 Q378 S382 S383 I384 | L198-A380 HydrophobicContact CD2-CB 4.03Å; V202-A380 HydrophobicContact CG2-CB 3.52Å; Q376-A380 PolarHBondContact O-N 3.29Å; S377-A380 PolarHBondContact O-N 2.99Å; Q378-A380 VanDerWaalsContact C-N 3.34Å; A380-S382 PolarHBondContact O-N 2.95Å; A380-S383 WeakPolarHBondContact O-CB 3.33Å; A380-S383 PolarHBondContact O-N 3.29Å; A380-I384 VanDerWaalsContact O-CG1 3.29Å; A380-I384 WeakPolarHBondContact O-CG1 3.38Å; A380-I384 PolarHBondContact O-N 2.69Å |
| 381 | L | 95 | Very high | 93.5 | Very high | 13 Ų | 13 | 51.2 Ų | 51.2 | 7% | 0.068 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.4 | -46.7 | 176.1 | -72.4 | 173.1 | 0 | 0 | 0 | 112.3 | V202 S377 Q378 S383 I384 H385 L413 T416 F420 | V202-L381 HydrophobicContact CG1-CD2 4.45Å; V202-L381 HydrophobicContact CG1-CG 4.5Å; V202-L381 HydrophobicContact CG2-CD2 4.33Å; V202-L381 HydrophobicContact CG2-CG 4.19Å; S377-L381 WeakPolarHBondContact O-CG 3.11Å; S377-L381 PolarHBondContact O-N 3.43Å; Q378-L381 PolarHBondContact O-N 3.44Å; L381-S383 VanDerWaalsContact C-N 3.33Å; L381-S383 PolarHBondContact O-N 2.9Å; L381-I384 HydrophobicContact CD2-CD1 4.43Å; L381-I384 WeakPolarHBondContact O-CB 3.41Å; L381-I384 PolarHBondContact O-N 3.45Å; L381-H385 PolarHBondContact O-N 3.39Å; L381-H385 VanDerWaalsContact O-N 3.08Å; L381-L413 HydrophobicContact CD2-CD2 3.91Å; L381-T416 HydrophobicContact CD1-CG2 4.12Å; L381-T416 HydrophobicContact CD2-CG2 3.66Å; L381-F420 HydrophobicContact CD1-CB 4.19Å; L381-F420 HydrophobicContact CD1-CD1 4.4Å; L381-F420 HydrophobicContact CD1-CD2 4.18Å; L381-F420 HydrophobicContact CD1-CG 3.98Å |
| 382 | S | 94.7 | Very high | 93.6 | Very high | 70 Ų | 70 | 50.3 Ų | 50.3 | 49% | 0.49 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.2 | -42.8 | 176 | -177.1 | 0 | 0 | 0 | 0 | 111.9 | Q378 A380 I384 H385 T386 | Q378-S382 WeakPolarHBondContact O-CB 3.39Å; Q378-S382 PolarHBondContact O-N 3.23Å; A380-S382 PolarHBondContact O-N 2.95Å; S382-I384 VanDerWaalsContact C-N 3.34Å; S382-I384 PolarHBondContact O-N 2.83Å; S382-H385 WeakPolarHBondContact O-CB 3.13Å; S382-H385 PolarHBondContact O-N 3.26Å; S382-T386 WeakPolarHBondContact O-CG2 3.4Å; S382-T386 PolarHBondContact O-N 3.07Å; S382-T386 VanDerWaalsContact O-N 3.08Å |
| 383 | S | 95.3 | Very high | 93.7 | Very high | 39 Ų | 39 | 53.2 Ų | 53.2 | 27% | 0.273 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.3 | -37.9 | 176.3 | -173 | 0 | 0 | 0 | 0 | 112.3 | L198 R379 A380 L381 H385 T386 H387 | L198-S383 WeakPolarHBondContact CD1-OG 3.3Å; R379-S383 WeakPolarHBondContact O-CB 3.45Å; R379-S383 PolarHBondContact O-N 3.4Å; A380-S383 WeakPolarHBondContact O-CB 3.33Å; A380-S383 PolarHBondContact O-N 3.29Å; L381-S383 VanDerWaalsContact C-N 3.33Å; L381-S383 PolarHBondContact O-N 2.9Å; S383-H385 VanDerWaalsContact C-N 3.34Å; S383-H385 PolarHBondContact O-N 3.4Å; S383-T386 PolarHBondContact O-N 2.9Å; S383-T386 PolarHBondContact O-OG1 3.27Å; S383-H387 PolarHBondContact O-CD2 3.47Å; S383-H387 PolarHBondContact O-N 3.31Å |
| 384 | I | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 174.6 | -63.2 | 162 | 0 | 0 | 0 | 110.3 | C195 L198 A380 L381 S382 T386 H387 L388 L413 | C195-I384 HydrophobicContact CB-CG2 4.19Å; L198-I384 HydrophobicContact CB-CD1 3.74Å; L198-I384 HydrophobicContact CB-CG1 3.47Å; L198-I384 VanDerWaalsContact CB-CG1 3.47Å; L198-I384 HydrophobicContact CD1-CG1 3.94Å; L198-I384 HydrophobicContact CG-CG1 4.36Å; A380-I384 VanDerWaalsContact O-CG1 3.29Å; A380-I384 WeakPolarHBondContact O-CG1 3.38Å; A380-I384 PolarHBondContact O-N 2.69Å; L381-I384 HydrophobicContact CD2-CD1 4.43Å; L381-I384 WeakPolarHBondContact O-CB 3.41Å; L381-I384 PolarHBondContact O-N 3.45Å; S382-I384 VanDerWaalsContact C-N 3.34Å; S382-I384 PolarHBondContact O-N 2.83Å; I384-T386 VanDerWaalsContact C-N 3.31Å; I384-T386 PolarHBondContact O-N 3.35Å; I384-H387 PolarHBondContact O-N 2.88Å; I384-H387 VanDerWaalsContact O-N 3.13Å; I384-L388 HydrophobicContact CG2-CD1 3.74Å; I384-L388 HydrophobicContact CG2-CG 4.33Å; I384-L388 WeakPolarHBondContact O-CG 3.37Å; I384-L388 PolarHBondContact O-N 3.36Å; I384-L413 HydrophobicContact CB-CD1 4.48Å; I384-L413 HydrophobicContact CB-CD2 4.47Å; I384-L413 HydrophobicContact CD1-CD2 4.43Å; I384-L413 HydrophobicContact CG2-CD1 3.41Å; I384-L413 VanDerWaalsContact CG2-CD1 3.41Å; I384-L413 HydrophobicContact CG2-CD2 4.01Å; I384-L413 HydrophobicContact CG2-CG 4.36Å |
| 385 | H | 94.4 | Very high | 93.7 | Very high | 74 Ų | 74 | 54.1 Ų | 54.1 | 34% | 0.343 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.6 | -39.9 | 177.9 | -160.3 | 96 | 0 | 0 | 0 | 112.1 | L381 S382 S383 L388 S389 Q410 | L381-H385 PolarHBondContact O-N 3.39Å; L381-H385 VanDerWaalsContact O-N 3.08Å; S382-H385 WeakPolarHBondContact O-CB 3.13Å; S382-H385 PolarHBondContact O-N 3.26Å; S383-H385 VanDerWaalsContact C-N 3.34Å; S383-H385 PolarHBondContact O-N 3.4Å; H385-L388 PolarHBondContact O-N 3.31Å; H385-S389 WeakPolarHBondContact O-CB 3.27Å; H385-S389 PolarHBondContact O-N 2.95Å; H385-S389 PolarHBondContact O-OG 3.18Å; H385-Q410 PolarHBondContact CE1-NE2 3.08Å |
| 386 | T | 94.4 | Very high | 93.5 | Very high | 77 Ų | 77 | 53 Ų | 53 | 47% | 0.472 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.5 | -37.8 | 174.8 | 64.2 | 0 | 0 | 0 | 0 | 112.8 | S382 S383 I384 S389 S390 | S382-T386 WeakPolarHBondContact O-CG2 3.4Å; S382-T386 PolarHBondContact O-N 3.07Å; S382-T386 VanDerWaalsContact O-N 3.08Å; S383-T386 PolarHBondContact O-N 2.9Å; S383-T386 PolarHBondContact O-OG1 3.27Å; I384-T386 VanDerWaalsContact C-N 3.31Å; I384-T386 PolarHBondContact O-N 3.35Å; T386-S389 WeakPolarHBondContact CA-OG 3.44Å; T386-S389 PolarHBondContact O-OG 2.9Å; T386-S390 PolarHBondContact O-N 2.91Å |
| 387 | H | 93.9 | Very high | 93.3 | Very high | 47 Ų | 47 | 54.7 Ų | 54.7 | 22% | 0.218 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -70 | -38.8 | 176.8 | -78.4 | -59 | 0 | 0 | 0 | 112.3 | S191 C195 S383 I384 S390 L391 | S191-H387 PolarHBondContact OG-ND1 2.84Å; S191-H387 VanDerWaalsContact OG-ND1 3.16Å; S191-H387 PolarHBondContact OG-O 2.94Å; C195-H387 WeakPolarHBondContact SG-CB 3.09Å; S383-H387 PolarHBondContact O-CD2 3.47Å; S383-H387 PolarHBondContact O-N 3.31Å; I384-H387 PolarHBondContact O-N 2.88Å; I384-H387 VanDerWaalsContact O-N 3.13Å; H387-S390 PolarHBondContact O-N 3.42Å; H387-L391 WeakPolarHBondContact O-CG 3.35Å; H387-L391 PolarHBondContact O-N 2.81Å |
| 388 | L | 93.6 | Very high | 93.1 | Very high | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -70.7 | -43.1 | 178.3 | -73.3 | 166.4 | 0 | 0 | 0 | 112.9 | I384 H385 S390 L391 D392 L406 V409 L413 | I384-L388 HydrophobicContact CG2-CD1 3.74Å; I384-L388 HydrophobicContact CG2-CG 4.33Å; I384-L388 WeakPolarHBondContact O-CG 3.37Å; I384-L388 PolarHBondContact O-N 3.36Å; H385-L388 PolarHBondContact O-N 3.31Å; L388-S390 PolarHBondContact O-N 2.94Å; L388-L391 HydrophobicContact CD2-CD1 4.44Å; L388-L391 CarbonylContact O-C 3.53Å; L388-L391 WeakPolarHBondContact O-CB 3.34Å; L388-L391 PolarHBondContact O-N 3.4Å; L388-D392 WeakPolarHBondContact O-CB 3.19Å; L388-D392 PolarHBondContact O-N 2.9Å; L388-L406 HydrophobicContact CD2-CD1 3.43Å; L388-L406 VanDerWaalsContact CD2-CD1 3.43Å; L388-V409 HydrophobicContact CD1-CG1 3.54Å; L388-V409 HydrophobicContact CD2-CB 4.31Å; L388-V409 HydrophobicContact CD2-CG1 3.84Å; L388-V409 HydrophobicContact CG-CG1 4.34Å; L388-L413 HydrophobicContact CD1-CD1 3Å; L388-L413 HydrophobicContact CD1-CG 4.48Å; L388-L413 HydrophobicContact CG-CD1 4.45Å |
| 389 | S | 93.2 | Very high | 92.9 | Very high | 58 Ų | 58 | 60.3 Ų | 60.3 | 41% | 0.406 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61.1 | -34.4 | 174.6 | 53.8 | 0 | 0 | 0 | 0 | 112.3 | H385 T386 R393 | H385-S389 WeakPolarHBondContact O-CB 3.27Å; H385-S389 PolarHBondContact O-N 2.95Å; H385-S389 PolarHBondContact O-OG 3.18Å; T386-S389 WeakPolarHBondContact CA-OG 3.44Å; T386-S389 PolarHBondContact O-OG 2.9Å; S389-R393 WeakPolarHBondContact O-CB 3.44Å; S389-R393 PolarHBondContact O-N 3.11Å; S389-R393 VanDerWaalsContact O-N 3.11Å |
| 390 | S | 92.1 | Very high | 92.5 | Very high | 52 Ų | 52 | 57.2 Ų | 57.2 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -66.7 | -41.2 | 171 | 178.1 | 0 | 0 | 0 | 0 | 112.6 | T386 H387 L388 N394 | T386-S390 PolarHBondContact O-N 2.91Å; H387-S390 PolarHBondContact O-N 3.42Å; L388-S390 PolarHBondContact O-N 2.94Å; S390-N394 VanDerWaalsContact O-CB 3.26Å; S390-N394 WeakPolarHBondContact O-CB 3.2Å; S390-N394 PolarHBondContact O-N 3.28Å; S390-N394 PolarHBondContact O-ND2 2.85Å; S390-N394 VanDerWaalsContact O-ND2 3.08Å; S390-N394 PolarHBondContact OG-ND2 2.69Å |
| 391 | L | 92.7 | Very high | 92.3 | Very high | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.01 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -66.4 | -41.1 | 176.3 | -73.9 | 169.9 | 0 | 0 | 0 | 111.8 | M178 F182 F188 H387 L388 A395 L396 L406 | M178-L391 HydrophobicContact CE-CD1 3.81Å; F182-L391 HydrophobicContact CD2-CD2 4.43Å; F182-L391 HydrophobicContact CE2-CD2 3.8Å; F182-L391 HydrophobicContact CZ-CD2 4.35Å; F188-L391 HydrophobicContact CB-CD2 3.88Å; F188-L391 HydrophobicContact CD1-CD2 4.07Å; F188-L391 HydrophobicContact CG-CD2 4.34Å; H387-L391 WeakPolarHBondContact O-CG 3.35Å; H387-L391 PolarHBondContact O-N 2.81Å; L388-L391 HydrophobicContact CD2-CD1 4.44Å; L388-L391 CarbonylContact O-C 3.53Å; L388-L391 WeakPolarHBondContact O-CB 3.34Å; L388-L391 PolarHBondContact O-N 3.4Å; L391-A395 HydrophobicContact CD2-CB 4.05Å; L391-A395 WeakPolarHBondContact O-CA 3.27Å; L391-A395 WeakPolarHBondContact O-CB 3.43Å; L391-A395 PolarHBondContact O-N 3.16Å; L391-L396 PolarHBondContact O-N 3.06Å; L391-L406 HydrophobicContact CB-CD1 4.11Å |
| 392 | D | 92.4 | Very high | 92.1 | Very high | 86 Ų | 86 | 65 Ų | 65 | 46% | 0.46 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57 | -53.1 | 175.4 | -169.5 | 73.6 | 0 | 0 | 0 | 110.8 | L388 L396 L406 | L388-D392 WeakPolarHBondContact O-CB 3.19Å; L388-D392 PolarHBondContact O-N 2.9Å; D392-L396 HydrophobicContact CB-CD1 4.43Å; D392-L396 WeakPolarHBondContact O-CB 3.23Å; D392-L396 WeakPolarHBondContact O-CD1 3.37Å; D392-L396 WeakPolarHBondContact O-CG 3.3Å; D392-L396 WeakPolarHBondContact OD1-CD1 3.36Å; D392-L406 VanDerWaalsContact CA-CD2 3.45Å; D392-L406 HydrophobicContact CB-CD2 3.68Å; D392-L406 WeakPolarHBondContact OD1-CD2 3.38Å |
| 393 | R | 92.3 | Very high | 92 | Very high | 195 Ų | 195 | 65.8 Ų | 65.8 | 74% | 0.736 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -70.9 | -37.8 | -176.1 | -175.5 | 175.8 | 143.9 | -165.3 | -5 | 113.8 | S389 | S389-R393 WeakPolarHBondContact O-CB 3.44Å; S389-R393 PolarHBondContact O-N 3.11Å; S389-R393 VanDerWaalsContact O-N 3.11Å |
| 394 | N | 92.1 | Very high | 91.9 | Very high | 69 Ų | 69 | 71 Ų | 71 | 37% | 0.369 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -107.4 | -29.7 | -168 | -58 | -47.4 | 0 | 0 | 0 | 114.2 | F188 S390 Q398 | F188-N394 HydrophobicContact CE1-CB 3.9Å; F188-N394 HydrophobicContact CZ-CB 4.42Å; F188-N394 WeakPolarHBondContact CZ-O 3.44Å; S390-N394 VanDerWaalsContact O-CB 3.26Å; S390-N394 WeakPolarHBondContact O-CB 3.2Å; S390-N394 PolarHBondContact O-N 3.28Å; S390-N394 PolarHBondContact O-ND2 2.85Å; S390-N394 VanDerWaalsContact O-ND2 3.08Å; S390-N394 PolarHBondContact OG-ND2 2.69Å; N394-Q398 PolarHBondContact O-NE2 3.09Å |
| 395 | A | 89.6 | Confident | 91.8 | Very high | 1 Ų | 1 | 71.6 Ų | 71.6 | 1% | 0.008 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -94.1 | -36.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | F182 F188 L391 P397 Q398 F399 | F182-A395 HydrophobicContact CE1-CB 3.98Å; F182-A395 HydrophobicContact CZ-CB 3.79Å; F188-A395 HydrophobicContact CB-CB 4.37Å; F188-A395 HydrophobicContact CD1-CB 3.69Å; F188-A395 HydrophobicContact CD2-CB 3.94Å; F188-A395 HydrophobicContact CE1-CB 3.89Å; F188-A395 HydrophobicContact CE2-CB 4.14Å; F188-A395 HydrophobicContact CG-CB 3.73Å; F188-A395 HydrophobicContact CZ-CB 4.12Å; L391-A395 HydrophobicContact CD2-CB 4.05Å; L391-A395 WeakPolarHBondContact O-CA 3.27Å; L391-A395 WeakPolarHBondContact O-CB 3.43Å; L391-A395 PolarHBondContact O-N 3.16Å; A395-P397 VanDerWaalsContact C-CD 3.48Å; A395-Q398 PolarHBondContact O-N 3.32Å; A395-F399 PolarHBondContact O-N 2.85Å |
| 396 | L | 89.6 | Confident | 91.7 | Very high | 33 Ų | 33 | 68.3 Ų | 68.3 | 17% | 0.173 | 35% | 0.347 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -39.6 | -178.8 | -69.7 | -178.5 | 0 | 0 | 0 | 114.8 | L391 D392 Q398 F399 E403 L406 | L391-L396 PolarHBondContact O-N 3.06Å; D392-L396 HydrophobicContact CB-CD1 4.43Å; D392-L396 WeakPolarHBondContact O-CB 3.23Å; D392-L396 WeakPolarHBondContact O-CD1 3.37Å; D392-L396 WeakPolarHBondContact O-CG 3.3Å; D392-L396 WeakPolarHBondContact OD1-CD1 3.36Å; L396-Q398 PolarHBondContact O-N 3.37Å; L396-F399 CarbonylContact O-C 3.41Å; L396-F399 PolarHBondContact O-N 2.77Å; L396-E403 HydrophobicContact CD2-CB 3.94Å; L396-L406 HydrophobicContact CD1-CD2 3.89Å; L396-L406 HydrophobicContact CD2-CD2 3.99Å; L396-L406 HydrophobicContact CG-CD2 3.93Å |
| 397 | P | 89.7 | Confident | 91.7 | Very high | 105 Ų | 105 | 72.5 Ų | 72.5 | 68% | 0.682 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26.4 | 176.8 | -24.1 | 34.9 | 0 | 0 | 0 | 113.5 | A395 | A395-P397 VanDerWaalsContact C-CD 3.48Š|
| 398 | Q | 89.5 | Confident | 91.7 | Very high | 124 Ų | 124 | 73.9 Ų | 73.9 | 58% | 0.579 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | -28 | -178.9 | -64.4 | 178 | 58.4 | 0 | 0 | 112.4 | N394 A395 L396 | N394-Q398 PolarHBondContact O-NE2 3.09Å; A395-Q398 PolarHBondContact O-N 3.32Å; L396-Q398 PolarHBondContact O-N 3.37Å |
| 399 | F | 90.3 | Very high | 91.7 | Very high | 55 Ų | 55 | 73.9 Ų | 73.9 | 24% | 0.241 | 36% | 0.361 | C | S | . | . | trans | -133.9 | 71 | -174.8 | -63.6 | -86.3 | 0 | 0 | 0 | 111 | M181 F182 F188 A395 L396 K401 A402 | M181-F399 WeakPolarHBondContact O-CE1 3.34Å; F182-F399 HydrophobicContact CD1-CB 4.33Å; F182-F399 HydrophobicContact CD1-CD1 4.28Å; F182-F399 AromaticContact CD1-CD2 3.9Å; F182-F399 HydrophobicContact CD1-CD2 3.9Å; F182-F399 HydrophobicContact CD1-CE2 4.29Å; F182-F399 AromaticContact CD1-CG 3.91Å; F182-F399 HydrophobicContact CD1-CG 3.91Å; F182-F399 HydrophobicContact CE1-CB 3.75Å; F182-F399 AromaticContact CE1-CD2 3.89Å; F182-F399 HydrophobicContact CE1-CD2 3.89Å; F182-F399 AromaticContact CE1-CG 3.82Å; F182-F399 HydrophobicContact CE1-CG 3.82Å; F188-F399 HydrophobicContact CD2-CD2 4.16Å; F188-F399 AromaticContact CD2-CE2 3.83Å; F188-F399 HydrophobicContact CD2-CE2 3.83Å; F188-F399 HydrophobicContact CE2-CD2 4.32Å; F188-F399 AromaticContact CE2-CE2 3.99Å; F188-F399 HydrophobicContact CE2-CE2 3.99Å; A395-F399 PolarHBondContact O-N 2.85Å; L396-F399 CarbonylContact O-C 3.41Å; L396-F399 PolarHBondContact O-N 2.77Å; F399-K401 PolarHBondContact O-N 3.35Å; F399-K401 VanDerWaalsContact O-N 3.13Å; F399-A402 HydrophobicContact CB-CB 4.43Å; F399-A402 WeakPolarHBondContact O-CB 3.41Å; F399-A402 PolarHBondContact O-N 2.85Å | ||
| 400 | P | 88.8 | Confident | 91.8 | Very high | 90 Ų | 90 | 73.5 Ų | 73.5 | 58% | 0.584 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -63.3 | -24.1 | -175.6 | 24.6 | -34.7 | 0 | 0 | 0 | 113.3 | A402 E403 | P400-A402 PolarHBondContact O-N 3.37Å; P400-E403 WeakPolarHBondContact O-CB 3.43Å; P400-E403 PolarHBondContact O-N 3.42Å |
| 401 | K | 89.3 | Confident | 91.9 | Very high | 186 Ų | 186 | 78 Ų | 78 | 81% | 0.809 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -64 | -21 | 175.6 | -65.1 | -177.3 | 179.9 | 179.7 | 0 | 113.3 | M181 F399 E403 | M181-K401 HydrophobicContact SD-CB 4.05Å; F399-K401 PolarHBondContact O-N 3.35Å; F399-K401 VanDerWaalsContact O-N 3.13Å; K401-E403 VanDerWaalsContact C-N 3.3Å |
| 402 | A | 90.6 | Very high | 91.9 | Very high | 1 Ų | 1 | 79.6 Ų | 79.6 | 1% | 0.008 | 38% | 0.376 | C | S | . | . | G | 310 helix | trans | -78.8 | -10.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | M181 F182 F399 P400 K404 S405 L406 | M181-A402 HydrophobicContact CE-CB 3.76Å; M181-A402 HydrophobicContact SD-CB 4.07Å; F182-A402 HydrophobicContact CE1-CB 4.05Å; F182-A402 HydrophobicContact CZ-CB 3.96Å; F399-A402 HydrophobicContact CB-CB 4.43Å; F399-A402 WeakPolarHBondContact O-CB 3.41Å; F399-A402 PolarHBondContact O-N 2.85Å; P400-A402 PolarHBondContact O-N 3.37Å; A402-K404 VanDerWaalsContact C-N 3.3Å; A402-K404 PolarHBondContact O-N 2.66Å; A402-S405 PolarHBondContact O-N 2.89Å; A402-L406 WeakPolarHBondContact O-CB 3.49Å; A402-L406 PolarHBondContact O-N 3.33Å |
| 403 | E | 92.6 | Very high | 92 | Very high | 86 Ų | 86 | 75.9 Ų | 75.9 | 40% | 0.402 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -55 | -44.5 | -177.7 | -173.2 | -177.8 | 176.2 | 0 | 0 | 112.3 | L396 P400 K401 L406 R407 | L396-E403 HydrophobicContact CD2-CB 3.94Å; P400-E403 WeakPolarHBondContact O-CB 3.43Å; P400-E403 PolarHBondContact O-N 3.42Å; K401-E403 VanDerWaalsContact C-N 3.3Å; E403-L406 PolarHBondContact O-N 3.39Å; E403-R407 WeakPolarHBondContact O-CG 3.46Å; E403-R407 PolarHBondContact O-N 2.63Å; E403-R407 IonicContact OE1-CZ 3.41Å; E403-R407 IonicContact OE1-NE 3.34Å; E403-R407 PolarHBondContact OE1-NE 2.94Å; E403-R407 IonicContact OE1-NH2 2.79Å; E403-R407 PolarHBondContact OE1-NH2 3.23Å |
| 404 | K | 93.3 | Very high | 92 | Very high | 149 Ų | 149 | 70.7 Ų | 70.7 | 65% | 0.648 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.6 | -52.4 | -179.3 | -174.2 | -177.9 | 175.4 | -172.4 | 0 | 111.6 | A402 L406 R407 E408 | A402-K404 VanDerWaalsContact C-N 3.3Å; A402-K404 PolarHBondContact O-N 2.66Å; K404-L406 VanDerWaalsContact C-N 3.32Å; K404-L406 PolarHBondContact O-N 2.85Å; K404-R407 PolarHBondContact O-N 3.35Å; K404-E408 WeakPolarHBondContact CE-OE1 3.31Å; K404-E408 WeakPolarHBondContact O-CG 3.24Å; K404-E408 PolarHBondContact O-N 3.41Å |
| 405 | S | 93.1 | Very high | 92.1 | Very high | 12 Ų | 12 | 70.3 Ų | 70.3 | 8% | 0.084 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 179.5 | -61.2 | 0 | 0 | 0 | 0 | 111.6 | S177 A402 E408 V409 | S177-S405 PolarHBondContact OG-OG 3.41Å; A402-S405 PolarHBondContact O-N 2.89Å; S405-E408 PolarHBondContact O-N 2.95Å; S405-V409 WeakPolarHBondContact O-CG2 3.26Å; S405-V409 PolarHBondContact O-N 3.43Å |
| 406 | L | 93.3 | Very high | 92.3 | Very high | 6 Ų | 6 | 70.5 Ų | 70.5 | 3% | 0.031 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.9 | -43.2 | 178 | -170.7 | 73.2 | 0 | 0 | 0 | 112 | M178 L388 L391 D392 L396 A402 E403 K404 V409 Q410 | M178-L406 HydrophobicContact CE-CB 4.48Å; M178-L406 HydrophobicContact CE-CD1 3.55Å; M178-L406 HydrophobicContact SD-CB 4.39Å; M178-L406 HydrophobicContact SD-CD1 4.24Å; L388-L406 HydrophobicContact CD2-CD1 3.43Å; L388-L406 VanDerWaalsContact CD2-CD1 3.43Å; L391-L406 HydrophobicContact CB-CD1 4.11Å; D392-L406 VanDerWaalsContact CA-CD2 3.45Å; D392-L406 HydrophobicContact CB-CD2 3.68Å; D392-L406 WeakPolarHBondContact OD1-CD2 3.38Å; L396-L406 HydrophobicContact CD1-CD2 3.89Å; L396-L406 HydrophobicContact CD2-CD2 3.99Å; L396-L406 HydrophobicContact CG-CD2 3.93Å; A402-L406 WeakPolarHBondContact O-CB 3.49Å; A402-L406 PolarHBondContact O-N 3.33Å; E403-L406 PolarHBondContact O-N 3.39Å; K404-L406 VanDerWaalsContact C-N 3.32Å; K404-L406 PolarHBondContact O-N 2.85Å; L406-V409 PolarHBondContact O-N 3.31Å; L406-Q410 WeakPolarHBondContact O-CB 3.27Å; L406-Q410 PolarHBondContact O-N 3.37Å |
| 407 | R | 93.3 | Very high | 92.4 | Very high | 165 Ų | 165 | 72.5 Ų | 72.5 | 62% | 0.623 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -63.9 | -39.9 | 175.5 | -75.2 | -162.5 | -170.3 | -163.1 | 7.9 | 112.7 | E403 K404 Q410 Q411 | E403-R407 WeakPolarHBondContact O-CG 3.46Å; E403-R407 PolarHBondContact O-N 2.63Å; E403-R407 IonicContact OE1-CZ 3.41Å; E403-R407 IonicContact OE1-NE 3.34Å; E403-R407 PolarHBondContact OE1-NE 2.94Å; E403-R407 IonicContact OE1-NH2 2.79Å; E403-R407 PolarHBondContact OE1-NH2 3.23Å; K404-R407 PolarHBondContact O-N 3.35Å; R407-Q410 PolarHBondContact O-N 3.1Å; R407-Q411 WeakPolarHBondContact O-CB 3.44Å; R407-Q411 PolarHBondContact O-N 3Å |
| 408 | E | 94.1 | Very high | 92.4 | Very high | 75 Ų | 75 | 69.4 Ų | 69.4 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 175.3 | -73.8 | 169.6 | -176.9 | 0 | 0 | 111.2 | P174 K404 S405 Q410 Q411 I412 | P174-E408 HydrophobicContact CB-CB 4.38Å; P174-E408 HydrophobicContact CG-CB 3.94Å; K404-E408 WeakPolarHBondContact CE-OE1 3.31Å; K404-E408 WeakPolarHBondContact O-CG 3.24Å; K404-E408 PolarHBondContact O-N 3.41Å; S405-E408 PolarHBondContact O-N 2.95Å; E408-Q410 PolarHBondContact O-N 2.88Å; E408-Q411 PolarHBondContact O-N 2.94Å; E408-I412 WeakPolarHBondContact O-CG1 3.34Å; E408-I412 PolarHBondContact O-N 2.95Å |
| 409 | V | 94.5 | Very high | 92.5 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.006 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 174.7 | -179.5 | 0 | 0 | 0 | 0 | 111.2 | P174 L175 M178 L388 S405 L406 Q411 I412 L413 | P174-V409 HydrophobicContact CB-CG2 3.43Å; P174-V409 VanDerWaalsContact CB-CG2 3.43Å; P174-V409 HydrophobicContact CG-CG2 4.35Å; L175-V409 HydrophobicContact CD2-CG1 4.44Å; L175-V409 HydrophobicContact CD2-CG2 4.12Å; L175-V409 HydrophobicContact CG-CG2 4.05Å; M178-V409 HydrophobicContact SD-CG2 4.42Å; L388-V409 HydrophobicContact CD1-CG1 3.54Å; L388-V409 HydrophobicContact CD2-CB 4.31Å; L388-V409 HydrophobicContact CD2-CG1 3.84Å; L388-V409 HydrophobicContact CG-CG1 4.34Å; S405-V409 WeakPolarHBondContact O-CG2 3.26Å; S405-V409 PolarHBondContact O-N 3.43Å; L406-V409 PolarHBondContact O-N 3.31Å; V409-Q411 VanDerWaalsContact C-N 3.33Å; V409-Q411 PolarHBondContact O-N 3.23Å; V409-I412 PolarHBondContact O-N 2.92Å; V409-L413 HydrophobicContact CG1-CD1 3.71Å; V409-L413 HydrophobicContact CG1-CG 4.47Å; V409-L413 WeakPolarHBondContact O-CB 3.5Å; V409-L413 PolarHBondContact O-N 3.48Å |
| 410 | Q | 94.1 | Very high | 92.6 | Very high | 50 Ų | 50 | 62.2 Ų | 62.2 | 23% | 0.234 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 179.7 | -167.9 | 68.4 | 33.7 | 0 | 0 | 111.7 | H385 L406 R407 E408 L413 N414 | H385-Q410 PolarHBondContact CE1-NE2 3.08Å; L406-Q410 WeakPolarHBondContact O-CB 3.27Å; L406-Q410 PolarHBondContact O-N 3.37Å; R407-Q410 PolarHBondContact O-N 3.1Å; E408-Q410 PolarHBondContact O-N 2.88Å; Q410-L413 PolarHBondContact O-N 3.47Å; Q410-N414 PolarHBondContact NE2-OD1 3.28Å; Q410-N414 WeakPolarHBondContact O-CB 3.15Å; Q410-N414 PolarHBondContact O-N 3.4Å; Q410-N414 PolarHBondContact O-OD1 2.91Å |
| 411 | Q | 94 | Very high | 92.8 | Very high | 146 Ų | 146 | 62.7 Ų | 62.7 | 68% | 0.682 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -64.8 | -45.6 | 177.5 | -176.7 | 176.9 | -16.6 | 0 | 0 | 111.7 | R407 E408 V409 L413 N414 S415 | R407-Q411 WeakPolarHBondContact O-CB 3.44Å; R407-Q411 PolarHBondContact O-N 3Å; E408-Q411 PolarHBondContact O-N 2.94Å; V409-Q411 VanDerWaalsContact C-N 3.33Å; V409-Q411 PolarHBondContact O-N 3.23Å; Q411-L413 VanDerWaalsContact C-N 3.3Å; Q411-L413 PolarHBondContact O-N 3.48Å; Q411-N414 PolarHBondContact O-N 3.46Å; Q411-S415 PolarHBondContact O-N 2.95Å |
| 412 | I | 94.3 | Very high | 93 | Very high | 36 Ų | 36 | 58.8 Ų | 58.8 | 19% | 0.185 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 176.3 | -69.7 | 167.9 | 0 | 0 | 0 | 110.6 | G166 E408 V409 S415 T416 | G166-I412 VanDerWaalsContact O-CG2 3.29Å; G166-I412 WeakPolarHBondContact O-CG2 3.31Å; E408-I412 WeakPolarHBondContact O-CG1 3.34Å; E408-I412 PolarHBondContact O-N 2.95Å; V409-I412 PolarHBondContact O-N 2.92Å; I412-S415 PolarHBondContact O-N 3.45Å; I412-T416 WeakPolarHBondContact O-CB 3.48Å; I412-T416 PolarHBondContact O-N 2.95Å; I412-T416 PolarHBondContact O-OG1 2.93Å |
| 413 | L | 93.3 | Very high | 93.1 | Very high | 8 Ų | 8 | 58.8 Ų | 58.8 | 4% | 0.042 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70 | -38.9 | -180 | -79.5 | 162.4 | 0 | 0 | 0 | 113.4 | L167 L381 I384 L388 V409 Q410 Q411 S415 T416 E417 | L167-L413 HydrophobicContact CD2-CD2 4.17Å; L381-L413 HydrophobicContact CD2-CD2 3.91Å; I384-L413 HydrophobicContact CB-CD1 4.48Å; I384-L413 HydrophobicContact CB-CD2 4.47Å; I384-L413 HydrophobicContact CD1-CD2 4.43Å; I384-L413 HydrophobicContact CG2-CD1 3.41Å; I384-L413 VanDerWaalsContact CG2-CD1 3.41Å; I384-L413 HydrophobicContact CG2-CD2 4.01Å; I384-L413 HydrophobicContact CG2-CG 4.36Å; L388-L413 HydrophobicContact CD1-CD1 3Å; L388-L413 HydrophobicContact CD1-CG 4.48Å; L388-L413 HydrophobicContact CG-CD1 4.45Å; V409-L413 HydrophobicContact CG1-CD1 3.71Å; V409-L413 HydrophobicContact CG1-CG 4.47Å; V409-L413 WeakPolarHBondContact O-CB 3.5Å; V409-L413 PolarHBondContact O-N 3.48Å; Q410-L413 PolarHBondContact O-N 3.47Å; Q411-L413 VanDerWaalsContact C-N 3.3Å; Q411-L413 PolarHBondContact O-N 3.48Å; L413-S415 VanDerWaalsContact C-N 3.27Å; L413-S415 PolarHBondContact O-N 3.44Å; L413-T416 WeakPolarHBondContact O-CB 3.43Å; L413-T416 PolarHBondContact O-N 2.96Å; L413-E417 WeakPolarHBondContact O-CB 3.37Å; L413-E417 PolarHBondContact O-N 3.2Å |
| 414 | N | 93.4 | Very high | 93.1 | Very high | 86 Ų | 86 | 57.5 Ų | 57.5 | 46% | 0.46 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.9 | -40.5 | 174.3 | -70.7 | -5.9 | 0 | 0 | 0 | 110.7 | Q410 Q411 G418 | Q410-N414 PolarHBondContact NE2-OD1 3.28Å; Q410-N414 WeakPolarHBondContact O-CB 3.15Å; Q410-N414 PolarHBondContact O-N 3.4Å; Q410-N414 PolarHBondContact O-OD1 2.91Å; Q411-N414 PolarHBondContact O-N 3.46Å; N414-G418 PolarHBondContact O-N 2.92Å |
| 415 | S | 93.4 | Very high | 93 | Very high | 62 Ų | 62 | 53 Ų | 53 | 43% | 0.434 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -65 | -44.9 | 173.3 | -162.3 | 0 | 0 | 0 | 0 | 111.7 | Q411 I412 L413 E417 G418 N419 | Q411-S415 PolarHBondContact O-N 2.95Å; I412-S415 PolarHBondContact O-N 3.45Å; L413-S415 VanDerWaalsContact C-N 3.27Å; L413-S415 PolarHBondContact O-N 3.44Å; S415-E417 PolarHBondContact O-N 3.39Å; S415-G418 PolarHBondContact O-N 3.25Å; S415-N419 WeakPolarHBondContact O-CB 3.43Å; S415-N419 VanDerWaalsContact O-CG 3.31Å; S415-N419 PolarHBondContact O-N 2.94Å |
| 416 | T | 93.1 | Very high | 92.8 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.6 | -43.4 | 178.8 | -62.6 | 0 | 0 | 0 | 0 | 112 | T163 L167 L381 I412 L413 N419 F420 | T163-T416 HydrophobicContact CG2-CG2 3.55Å; L167-T416 HydrophobicContact CD1-CG2 4.36Å; L167-T416 HydrophobicContact CD2-CG2 4.36Å; L167-T416 HydrophobicContact CG-CG2 4.37Å; L381-T416 HydrophobicContact CD1-CG2 4.12Å; L381-T416 HydrophobicContact CD2-CG2 3.66Å; I412-T416 WeakPolarHBondContact O-CB 3.48Å; I412-T416 PolarHBondContact O-N 2.95Å; I412-T416 PolarHBondContact O-OG1 2.93Å; L413-T416 WeakPolarHBondContact O-CB 3.43Å; L413-T416 PolarHBondContact O-N 2.96Å; T416-N419 PolarHBondContact O-N 3.29Å; T416-F420 WeakPolarHBondContact O-CB 3.45Å; T416-F420 PolarHBondContact O-N 3.08Å |
| 417 | E | 91.9 | Very high | 92.7 | Very high | 75 Ų | 75 | 53.7 Ų | 53.7 | 35% | 0.35 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -63.7 | -43.9 | 178.5 | -177 | 170.1 | -166.6 | 0 | 0 | 111.2 | L413 S415 F420 H421 | L413-E417 WeakPolarHBondContact O-CB 3.37Å; L413-E417 PolarHBondContact O-N 3.2Å; S415-E417 PolarHBondContact O-N 3.39Å; E417-F420 PolarHBondContact O-N 2.9Å; E417-H421 PolarHBondContact O-CD2 3.34Å; E417-H421 PolarHBondContact O-N 2.96Å; E417-H421 IonicContact OE1-NE2 3.95Å |
| 418 | G | 91.2 | Very high | 92.6 | Very high | 40 Ų | 40 | 48.7 Ų | 48.7 | 41% | 0.412 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.1 | -51 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | N414 S415 F420 H421 Q422 | N414-G418 PolarHBondContact O-N 2.92Å; S415-G418 PolarHBondContact O-N 3.25Å; G418-F420 VanDerWaalsContact C-N 3.3Å; G418-F420 PolarHBondContact O-N 3.34Å; G418-H421 PolarHBondContact O-N 3.16Å; G418-Q422 PolarHBondContact O-N 3.34Å; G418-Q422 VanDerWaalsContact O-N 3.15Å |
| 419 | N | 91.1 | Very high | 92.4 | Very high | 26 Ų | 26 | 45.6 Ų | 45.6 | 14% | 0.139 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.5 | -41.1 | 177.4 | -71.5 | -9.8 | 0 | 0 | 0 | 111.8 | L159 D162 S415 T416 Q422 L423 | L159-N419 HydrophobicContact CD2-CB 3.84Å; D162-N419 PolarHBondContact OD2-ND2 2.84Å; S415-N419 WeakPolarHBondContact O-CB 3.43Å; S415-N419 VanDerWaalsContact O-CG 3.31Å; S415-N419 PolarHBondContact O-N 2.94Å; T416-N419 PolarHBondContact O-N 3.29Å; N419-Q422 PolarHBondContact O-N 3.39Å; N419-L423 WeakPolarHBondContact O-CB 3.37Å; N419-L423 PolarHBondContact O-N 3.47Å |
| 420 | F | 92.9 | Very high | 92.3 | Very high | 3 Ų | 3 | 54 Ų | 54 | 1% | 0.013 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.8 | -40.7 | -179.8 | -171.9 | -92.7 | 0 | 0 | 0 | 112.2 | L206 L374 Q378 L381 T416 E417 G418 Q422 L423 V424 | L206-F420 HydrophobicContact CD2-CD2 4.41Å; L206-F420 HydrophobicContact CD2-CE2 4.12Å; L374-F420 HydrophobicContact CB-CZ 4.18Å; L374-F420 HydrophobicContact CD2-CE2 3.88Å; L374-F420 HydrophobicContact CD2-CZ 3.78Å; L374-F420 WeakPolarHBondContact O-CZ 3.29Å; Q378-F420 HydrophobicContact CB-CE1 3.87Å; Q378-F420 HydrophobicContact CB-CZ 4.31Å; Q378-F420 HydrophobicContact CG-CE1 4.45Å; L381-F420 HydrophobicContact CD1-CB 4.19Å; L381-F420 HydrophobicContact CD1-CD1 4.4Å; L381-F420 HydrophobicContact CD1-CD2 4.18Å; L381-F420 HydrophobicContact CD1-CG 3.98Å; T416-F420 WeakPolarHBondContact O-CB 3.45Å; T416-F420 PolarHBondContact O-N 3.08Å; E417-F420 PolarHBondContact O-N 2.9Å; G418-F420 VanDerWaalsContact C-N 3.3Å; G418-F420 PolarHBondContact O-N 3.34Å; F420-Q422 VanDerWaalsContact C-N 3.33Å; F420-Q422 PolarHBondContact O-N 3.47Å; F420-L423 HydrophobicContact CD2-CD2 4.48Å; F420-L423 WeakPolarHBondContact O-CB 3.35Å; F420-L423 PolarHBondContact O-N 3.15Å; F420-V424 HydrophobicContact CD1-CG2 3.99Å; F420-V424 HydrophobicContact CE1-CG2 3.57Å; F420-V424 HydrophobicContact CZ-CG2 3.99Å; F420-V424 VanDerWaalsContact O-CG2 3.32Å; F420-V424 WeakPolarHBondContact O-CG2 3.24Å; F420-V424 PolarHBondContact O-N 3.39Å |
| 421 | H | 92.4 | Very high | 92.2 | Very high | 99 Ų | 99 | 54.7 Ų | 54.7 | 46% | 0.458 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.7 | -41.8 | 174 | -78.5 | -58.5 | 0 | 0 | 0 | 112.2 | E417 G418 A425 | E417-H421 PolarHBondContact O-CD2 3.34Å; E417-H421 PolarHBondContact O-N 2.96Å; E417-H421 IonicContact OE1-NE2 3.95Å; G418-H421 PolarHBondContact O-N 3.16Å; H421-A425 PolarHBondContact O-N 3.13Å |
| 422 | Q | 93.2 | Very high | 92 | Very high | 105 Ų | 105 | 48.7 Ų | 48.7 | 49% | 0.491 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 175 | -171.9 | 173.5 | -17.2 | 0 | 0 | 111.8 | L159 G418 N419 F420 V424 A425 L426 | L159-Q422 HydrophobicContact CD1-CB 4.15Å; L159-Q422 HydrophobicContact CD1-CG 3.83Å; L159-Q422 HydrophobicContact CD2-CB 4.46Å; G418-Q422 PolarHBondContact O-N 3.34Å; G418-Q422 VanDerWaalsContact O-N 3.15Å; N419-Q422 PolarHBondContact O-N 3.39Å; F420-Q422 VanDerWaalsContact C-N 3.33Å; F420-Q422 PolarHBondContact O-N 3.47Å; Q422-V424 PolarHBondContact O-N 3.29Å; Q422-A425 WeakPolarHBondContact O-CB 3.4Å; Q422-A425 PolarHBondContact O-N 2.93Å; Q422-L426 HydrophobicContact CG-CD1 4.26Å; Q422-L426 WeakPolarHBondContact O-CG 3.49Å; Q422-L426 PolarHBondContact O-N 3.41Å |
| 423 | L | 92.5 | Very high | 92 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -59.8 | -45.9 | 176.5 | 177.4 | 63.2 | 0 | 0 | 0 | 112 | I156 L159 I160 L206 N419 F420 A425 L426 L427 | I156-L423 HydrophobicContact CB-CD1 4.35Å; I156-L423 HydrophobicContact CG1-CD1 4.41Å; I156-L423 HydrophobicContact CG2-CD1 3.81Å; L159-L423 HydrophobicContact CB-CB 4.48Å; L159-L423 HydrophobicContact CD1-CB 4.46Å; I160-L423 HydrophobicContact CD1-CD1 4.15Å; I160-L423 HydrophobicContact CG1-CD1 3.84Å; I160-L423 HydrophobicContact CG1-CD2 3.8Å; I160-L423 HydrophobicContact CG1-CG 4.5Å; L206-L423 HydrophobicContact CD2-CD2 3.95Å; N419-L423 WeakPolarHBondContact O-CB 3.37Å; N419-L423 PolarHBondContact O-N 3.47Å; F420-L423 HydrophobicContact CD2-CD2 4.48Å; F420-L423 WeakPolarHBondContact O-CB 3.35Å; F420-L423 PolarHBondContact O-N 3.15Å; L423-A425 VanDerWaalsContact C-N 3.26Å; L423-A425 PolarHBondContact O-N 3.43Å; L423-L426 PolarHBondContact O-N 2.89Å; L423-L427 HydrophobicContact CD1-CD1 3.86Å; L423-L427 HydrophobicContact CD1-CG 4.05Å; L423-L427 HydrophobicContact CG-CD1 3.86Å; L423-L427 HydrophobicContact CG-CG 4.44Å; L423-L427 WeakPolarHBondContact O-CG 3.33Å; L423-L427 PolarHBondContact O-N 3.48Å |
| 424 | V | 91.8 | Very high | 92 | Very high | 59 Ų | 59 | 53.1 Ų | 53.1 | 36% | 0.358 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.2 | -39.2 | 176.7 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | L374 F420 Q422 | L374-V424 HydrophobicContact CD1-CG2 4.26Å; L374-V424 HydrophobicContact CD2-CG2 4Å; F420-V424 HydrophobicContact CD1-CG2 3.99Å; F420-V424 HydrophobicContact CE1-CG2 3.57Å; F420-V424 HydrophobicContact CZ-CG2 3.99Å; F420-V424 VanDerWaalsContact O-CG2 3.32Å; F420-V424 WeakPolarHBondContact O-CG2 3.24Å; F420-V424 PolarHBondContact O-N 3.39Å; Q422-V424 PolarHBondContact O-N 3.29Å |
| 425 | A | 91.6 | Very high | 92 | Very high | 56 Ų | 56 | 49.8 Ų | 49.8 | 46% | 0.463 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.8 | -41.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H421 Q422 L423 N428 | H421-A425 PolarHBondContact O-N 3.13Å; Q422-A425 WeakPolarHBondContact O-CB 3.4Å; Q422-A425 PolarHBondContact O-N 2.93Å; L423-A425 VanDerWaalsContact C-N 3.26Å; L423-A425 PolarHBondContact O-N 3.43Å; A425-N428 VanDerWaalsContact O-CB 3.22Å; A425-N428 WeakPolarHBondContact O-CB 3.25Å; A425-N428 PolarHBondContact O-N 3.45Å |
| 426 | L | 89.4 | Confident | 92.1 | Very high | 26 Ų | 26 | 48.1 Ų | 48.1 | 14% | 0.136 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72.8 | -29.9 | -179.5 | -69.6 | 175.2 | 0 | 0 | 0 | 113.7 | I156 L159 Q422 L423 N428 I431 | I156-L426 HydrophobicContact CD1-CB 4.02Å; I156-L426 HydrophobicContact CG1-CB 3.61Å; I156-L426 HydrophobicContact CG1-CD1 4.19Å; L159-L426 HydrophobicContact CD1-CD1 3.65Å; Q422-L426 HydrophobicContact CG-CD1 4.26Å; Q422-L426 WeakPolarHBondContact O-CG 3.49Å; Q422-L426 PolarHBondContact O-N 3.41Å; L423-L426 PolarHBondContact O-N 2.89Å; L426-N428 PolarHBondContact O-N 2.98Å; L426-I431 HydrophobicContact CD2-CD1 4.14Å |
| 427 | L | 90.6 | Very high | 92.1 | Very high | 6 Ų | 6 | 48.3 Ų | 48.3 | 3% | 0.031 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -0.6 | 174.7 | -71.4 | 171.4 | 0 | 0 | 0 | 113.8 | I156 Y358 Y359 F370 L374 L423 | I156-L427 HydrophobicContact CD1-CD2 4.22Å; I156-L427 HydrophobicContact CG2-CD2 4.08Å; Y358-L427 PolarHBondContact OH-O 3.1Å; Y359-L427 PolarHBondContact OH-O 3.14Å; F370-L427 HydrophobicContact CD2-CB 4.5Å; F370-L427 HydrophobicContact CD2-CD2 4.08Å; F370-L427 HydrophobicContact CE2-CD2 4.16Å; L374-L427 HydrophobicContact CD1-CD1 4.03Å; L374-L427 HydrophobicContact CD2-CD1 3.94Å; L374-L427 HydrophobicContact CG-CD1 4.43Å; L423-L427 HydrophobicContact CD1-CD1 3.86Å; L423-L427 HydrophobicContact CD1-CG 4.05Å; L423-L427 HydrophobicContact CG-CD1 3.86Å; L423-L427 HydrophobicContact CG-CG 4.44Å; L423-L427 WeakPolarHBondContact O-CG 3.33Å; L423-L427 PolarHBondContact O-N 3.48Å |
| 428 | N | 91 | Very high | 92.3 | Very high | 60 Ų | 60 | 46.3 Ų | 46.3 | 32% | 0.321 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -73.3 | 132.2 | 173.6 | -167.3 | -39.6 | 0 | 0 | 0 | 110.2 | A425 L426 R430 | A425-N428 VanDerWaalsContact O-CB 3.22Å; A425-N428 WeakPolarHBondContact O-CB 3.25Å; A425-N428 PolarHBondContact O-N 3.45Å; L426-N428 PolarHBondContact O-N 2.98Å; N428-R430 PolarHBondContact O-N 2.96Å; N428-R430 WeakPolarHBondContact OD1-CG 3.43Å; N428-R430 PolarHBondContact OD1-N 3.23Å |
| 429 | C | 91.4 | Very high | 92.5 | Very high | 9 Ų | 9 | 44.8 Ų | 44.8 | 6% | 0.061 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.6 | -26.3 | -177.2 | 64.4 | 0 | 0 | 0 | 0 | 113.8 | Y358 Y359 C362 I431 N433 | Y358-C429 HydrophobicContact CD1-CB 4Å; Y358-C429 HydrophobicContact CD2-CB 4.33Å; Y358-C429 HydrophobicContact CE1-CB 3.61Å; Y358-C429 HydrophobicContact CE2-CB 3.95Å; Y358-C429 HydrophobicContact CG-CB 4.36Å; Y358-C429 VanDerWaalsContact O-CB 3.25Å; Y358-C429 WeakPolarHBondContact O-CB 3.25Å; Y358-C429 PolarHBondContact OH-N 3.17Å; Y359-C429 HydrophobicContact CD1-CB 4.04Å; Y359-C429 HydrophobicContact CE1-CB 4.48Å; C362-C429 VanDerWaalsContact CA-SG 3.53Å; C362-C429 HydrophobicContact CB-CB 3.72Å; C362-C429 WeakPolarHBondContact CB-SG 3.38Å; C362-C429 WeakPolarHBondContact SG-CB 3.42Å; C362-C429 CovalentContact SG-SG 2.06Å; C362-C429 PolarHBondContact SG-SG 2.87Å; C429-I431 VanDerWaalsContact C-N 3.3Å; C429-I431 PolarHBondContact O-N 3.37Å; C429-N433 WeakPolarHBondContact O-CB 3.44Å; C429-N433 PolarHBondContact O-N 3.16Å |
| 430 | R | 91.7 | Very high | 92.7 | Very high | 179 Ų | 179 | 43.6 Ų | 43.6 | 68% | 0.675 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -59.1 | -36.2 | -170.6 | -70 | 179.3 | -177.1 | 176.4 | 1.9 | 114.5 | C362 N428 K434 | C362-R430 PolarHBondContact SG-N 3.17Å; N428-R430 PolarHBondContact O-N 2.96Å; N428-R430 WeakPolarHBondContact OD1-CG 3.43Å; N428-R430 PolarHBondContact OD1-N 3.23Å; R430-K434 VanDerWaalsContact O-CB 3.24Å; R430-K434 WeakPolarHBondContact O-CB 3.27Å; R430-K434 PolarHBondContact O-N 3.31Å |
| 431 | I | 91 | Very high | 92.8 | Very high | 64 Ų | 64 | 47.4 Ų | 47.4 | 33% | 0.328 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -71.7 | -58.1 | -175.7 | -60.1 | 173.4 | 0 | 0 | 0 | 109 | T152 L426 C429 N433 K434 D435 | T152-I431 HydrophobicContact CG2-CG2 3.89Å; L426-I431 HydrophobicContact CD2-CD1 4.14Å; C429-I431 VanDerWaalsContact C-N 3.3Å; C429-I431 PolarHBondContact O-N 3.37Å; I431-N433 VanDerWaalsContact C-N 3.31Å; I431-N433 PolarHBondContact O-N 3.5Å; I431-K434 WeakPolarHBondContact O-CB 3.37Å; I431-K434 PolarHBondContact O-N 3.36Å; I431-K434 VanDerWaalsContact O-N 3.12Å; I431-D435 PolarHBondContact O-N 3.15Å |
| 432 | L | 91.8 | Very high | 92.9 | Very high | 20 Ų | 20 | 42.7 Ų | 42.7 | 11% | 0.105 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.9 | -36 | 178.4 | -79.4 | 164.8 | 0 | 0 | 0 | 112.8 | A149 T152 L153 Y359 D435 Y436 | A149-L432 HydrophobicContact CB-CD2 3.81Å; T152-L432 WeakPolarHBondContact OG1-CD2 3.32Å; L153-L432 HydrophobicContact CD2-CD1 4.04Å; L153-L432 HydrophobicContact CG-CD2 4.31Å; Y359-L432 HydrophobicContact CD1-CB 3.8Å; Y359-L432 HydrophobicContact CD1-CD1 3.65Å; Y359-L432 HydrophobicContact CD1-CG 4.38Å; Y359-L432 HydrophobicContact CE1-CB 4.35Å; Y359-L432 HydrophobicContact CE1-CD1 3.52Å; Y359-L432 HydrophobicContact CG-CD1 4.28Å; L432-D435 PolarHBondContact O-N 2.89Å; L432-Y436 WeakPolarHBondContact O-CB 3.33Å; L432-Y436 PolarHBondContact O-N 2.86Å |
| 433 | N | 93.1 | Very high | 93.1 | Very high | 18 Ų | 18 | 39 Ų | 39 | 10% | 0.096 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.9 | -42.3 | 174.5 | -172.8 | -106.1 | 0 | 0 | 0 | 111.4 | Y359 L360 C362 C429 I431 D435 Y436 I437 | Y359-N433 VanDerWaalsContact O-CB 3.28Å; Y359-N433 WeakPolarHBondContact O-CB 3.48Å; Y359-N433 PolarHBondContact O-ND2 3.43Å; L360-N433 VanDerWaalsContact C-ND2 3.33Å; L360-N433 PolarHBondContact O-ND2 2.81Å; C362-N433 HydrophobicContact CB-CB 3.64Å; C362-N433 VanDerWaalsContact CB-CG 3.47Å; C429-N433 WeakPolarHBondContact O-CB 3.44Å; C429-N433 PolarHBondContact O-N 3.16Å; I431-N433 VanDerWaalsContact C-N 3.31Å; I431-N433 PolarHBondContact O-N 3.5Å; N433-D435 VanDerWaalsContact C-N 3.35Å; N433-Y436 WeakPolarHBondContact O-CB 3.47Å; N433-Y436 PolarHBondContact O-N 3.41Å; N433-I437 VanDerWaalsContact O-CG1 3.27Å; N433-I437 WeakPolarHBondContact O-CG1 3.46Å; N433-I437 PolarHBondContact O-N 2.97Å |
| 434 | K | 93.4 | Very high | 93.3 | Very high | 118 Ų | 118 | 39 Ų | 39 | 51% | 0.513 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -59.8 | -47.5 | 175.4 | 171.1 | 172.5 | 164.4 | 49.8 | 0 | 110.8 | R430 I431 Y436 I437 D438 | R430-K434 VanDerWaalsContact O-CB 3.24Å; R430-K434 WeakPolarHBondContact O-CB 3.27Å; R430-K434 PolarHBondContact O-N 3.31Å; I431-K434 WeakPolarHBondContact O-CB 3.37Å; I431-K434 PolarHBondContact O-N 3.36Å; I431-K434 VanDerWaalsContact O-N 3.12Å; K434-Y436 VanDerWaalsContact C-N 3.3Å; K434-Y436 PolarHBondContact O-N 2.96Å; K434-I437 PolarHBondContact O-N 3.31Å; K434-D438 WeakPolarHBondContact CG-OD2 3.32Å; K434-D438 IonicContact NZ-OD1 3.65Å; K434-D438 IonicContact NZ-OD2 3.49Å; K434-D438 PolarHBondContact NZ-OD2 2.94Å; K434-D438 WeakPolarHBondContact O-CB 3.31Å; K434-D438 VanDerWaalsContact O-CG 3.27Å; K434-D438 PolarHBondContact O-N 3.36Å |
| 435 | D | 94.1 | Very high | 93.5 | Very high | 16 Ų | 16 | 39.8 Ų | 39.8 | 9% | 0.086 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 177.4 | -65.2 | -25.7 | 0 | 0 | 0 | 111 | S145 A149 I431 L432 N433 D438 S439 | S145-D435 VanDerWaalsContact CB-O 3.31Å; S145-D435 WeakPolarHBondContact CB-O 3.33Å; A149-D435 HydrophobicContact CB-CB 4.19Å; I431-D435 PolarHBondContact O-N 3.15Å; L432-D435 PolarHBondContact O-N 2.89Å; N433-D435 VanDerWaalsContact C-N 3.35Å; D435-D438 PolarHBondContact O-N 3.48Å; D435-S439 VanDerWaalsContact O-CB 3.31Å; D435-S439 WeakPolarHBondContact O-CB 3.26Å; D435-S439 PolarHBondContact O-N 2.92Å |
| 436 | Y | 93.9 | Very high | 93.7 | Very high | 28 Ų | 28 | 39.7 Ų | 39.7 | 11% | 0.11 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 174.9 | 177.4 | -114.8 | 0 | 0 | 0 | 113.3 | V7 N338 V341 L360 L432 N433 K434 S439 L440 | V7-Y436 HydrophobicContact CG2-CE1 4.25Å; N338-Y436 PolarHBondContact OD1-OH 3.14Å; V341-Y436 HydrophobicContact CG2-CE2 4.25Å; L360-Y436 HydrophobicContact CB-CE1 4.45Å; L360-Y436 HydrophobicContact CD2-CD1 3.8Å; L360-Y436 HydrophobicContact CD2-CD2 3.86Å; L360-Y436 HydrophobicContact CD2-CE1 3.77Å; L360-Y436 HydrophobicContact CD2-CE2 3.84Å; L360-Y436 HydrophobicContact CD2-CG 3.84Å; L432-Y436 WeakPolarHBondContact O-CB 3.33Å; L432-Y436 PolarHBondContact O-N 2.86Å; N433-Y436 WeakPolarHBondContact O-CB 3.47Å; N433-Y436 PolarHBondContact O-N 3.41Å; K434-Y436 VanDerWaalsContact C-N 3.3Å; K434-Y436 PolarHBondContact O-N 2.96Å; Y436-S439 PolarHBondContact O-N 3.49Å; Y436-S439 PolarHBondContact O-OG 3.25Å; Y436-L440 HydrophobicContact CD1-CD1 4.22Å; Y436-L440 HydrophobicContact CE1-CD1 3.6Å; Y436-L440 HydrophobicContact CE1-CG 4.37Å; Y436-L440 HydrophobicContact CE2-CD1 4.2Å; Y436-L440 HydrophobicContact CE2-CD2 4.35Å; Y436-L440 HydrophobicContact CE2-CG 4.14Å; Y436-L440 WeakPolarHBondContact O-CG 3.43Å; Y436-L440 PolarHBondContact O-N 3.4Å |
| 437 | I | 94.6 | Very high | 94 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 4% | 0.036 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -66.3 | -42.8 | 177.8 | -64.5 | -63.9 | 0 | 0 | 0 | 111.2 | V7 N433 K434 S439 L440 K441 | V7-I437 HydrophobicContact CB-CD1 4.27Å; V7-I437 HydrophobicContact CG1-CD1 3.38Å; N433-I437 VanDerWaalsContact O-CG1 3.27Å; N433-I437 WeakPolarHBondContact O-CG1 3.46Å; N433-I437 PolarHBondContact O-N 2.97Å; K434-I437 PolarHBondContact O-N 3.31Å; I437-S439 PolarHBondContact O-N 3.1Å; I437-L440 PolarHBondContact O-N 2.93Å; I437-K441 HydrophobicContact CG2-CD 4.12Å; I437-K441 HydrophobicContact CG2-CG 4.46Å; I437-K441 WeakPolarHBondContact O-CG 3.47Å; I437-K441 PolarHBondContact O-N 3.45Å |
| 438 | D | 95 | Very high | 94.3 | Very high | 34 Ų | 34 | 38.3 Ų | 38.3 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -65.1 | -35 | 179.7 | -70.2 | -17.3 | 0 | 0 | 0 | 110.5 | Q141 S145 K434 D435 K441 G442 | Q141-D438 PolarHBondContact NE2-O 3.48Å; S145-D438 WeakPolarHBondContact OG-CB 3.33Å; K434-D438 WeakPolarHBondContact CG-OD2 3.32Å; K434-D438 IonicContact NZ-OD1 3.65Å; K434-D438 IonicContact NZ-OD2 3.49Å; K434-D438 PolarHBondContact NZ-OD2 2.94Å; K434-D438 WeakPolarHBondContact O-CB 3.31Å; K434-D438 VanDerWaalsContact O-CG 3.27Å; K434-D438 PolarHBondContact O-N 3.36Å; D435-D438 PolarHBondContact O-N 3.48Å; D438-K441 PolarHBondContact O-N 2.89Å; D438-G442 PolarHBondContact O-N 2.89Å |
| 439 | S | 95.8 | Very high | 94.6 | Very high | 7 Ų | 7 | 37.9 Ų | 37.9 | 5% | 0.049 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -67.1 | -43.8 | 174.5 | 93.3 | 0 | 0 | 0 | 0 | 112.2 | D435 Y436 I437 K441 G442 L443 | D435-S439 VanDerWaalsContact O-CB 3.31Å; D435-S439 WeakPolarHBondContact O-CB 3.26Å; D435-S439 PolarHBondContact O-N 2.92Å; Y436-S439 PolarHBondContact O-N 3.49Å; Y436-S439 PolarHBondContact O-OG 3.25Å; I437-S439 PolarHBondContact O-N 3.1Å; S439-K441 VanDerWaalsContact C-N 3.31Å; S439-K441 PolarHBondContact O-N 3.07Å; S439-G442 PolarHBondContact O-N 3.41Å; S439-L443 WeakPolarHBondContact O-CB 3.35Å; S439-L443 PolarHBondContact O-N 3Å; S439-L443 VanDerWaalsContact O-N 3.12Å |
| 440 | L | 95.4 | Very high | 94.9 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.01 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.4 | -38.4 | 173.6 | -73.2 | 179.8 | 0 | 0 | 0 | 112.1 | Y10 F333 P337 Y436 I437 C444 | Y10-L440 HydrophobicContact CD1-CD1 4.16Å; Y10-L440 HydrophobicContact CD2-CB 3.95Å; Y10-L440 HydrophobicContact CD2-CD1 4.28Å; Y10-L440 HydrophobicContact CE2-CB 4.11Å; Y10-L440 HydrophobicContact CG-CB 4.48Å; Y10-L440 HydrophobicContact CG-CD1 3.99Å; F333-L440 HydrophobicContact CE1-CD2 4.02Å; F333-L440 HydrophobicContact CZ-CD2 4.18Å; P337-L440 HydrophobicContact CB-CD1 4.44Å; P337-L440 HydrophobicContact CB-CD2 3.64Å; P337-L440 HydrophobicContact CG-CD1 3.92Å; P337-L440 HydrophobicContact CG-CD2 3.9Å; Y436-L440 HydrophobicContact CD1-CD1 4.22Å; Y436-L440 HydrophobicContact CE1-CD1 3.6Å; Y436-L440 HydrophobicContact CE1-CG 4.37Å; Y436-L440 HydrophobicContact CE2-CD1 4.2Å; Y436-L440 HydrophobicContact CE2-CD2 4.35Å; Y436-L440 HydrophobicContact CE2-CG 4.14Å; Y436-L440 WeakPolarHBondContact O-CG 3.43Å; Y436-L440 PolarHBondContact O-N 3.4Å; I437-L440 PolarHBondContact O-N 2.93Å; L440-C444 WeakPolarHBondContact O-CB 3.37Å; L440-C444 PolarHBondContact O-N 3.39Å |
| 441 | K | 94.4 | Very high | 95.2 | Very high | 82 Ų | 82 | 29.8 Ų | 29.8 | 36% | 0.357 | 14% | 0.141 | S | C | . | . | H | α-helix | trans | -64.7 | -50.2 | 177.9 | -76.9 | 174.1 | -178.7 | 171.1 | 0 | 111.5 | I437 D438 S439 L443 Y445 | I437-K441 HydrophobicContact CG2-CD 4.12Å; I437-K441 HydrophobicContact CG2-CG 4.46Å; I437-K441 WeakPolarHBondContact O-CG 3.47Å; I437-K441 PolarHBondContact O-N 3.45Å; D438-K441 PolarHBondContact O-N 2.89Å; S439-K441 VanDerWaalsContact C-N 3.31Å; S439-K441 PolarHBondContact O-N 3.07Å; K441-L443 VanDerWaalsContact C-N 3.28Å; K441-L443 PolarHBondContact O-N 3.35Å; K441-Y445 HydrophobicContact CB-CD2 4.45Å; K441-Y445 HydrophobicContact CG-CD2 4.35Å; K441-Y445 HydrophobicContact CG-CE2 4.41Å; K441-Y445 VanDerWaalsContact O-CB 3.29Å; K441-Y445 WeakPolarHBondContact O-CB 3.46Å; K441-Y445 PolarHBondContact O-N 3.22Å |
| 442 | G | 95.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -56.5 | -43.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | G138 D438 S439 G447 | G138-G442 CarbonylContact C-O 3.53Å; G138-G442 WeakPolarHBondContact CA-O 3.1Å; G138-G442 CarbonylContact O-C 3.51Å; G138-G442 VanDerWaalsContact O-C 3.26Å; G138-G442 WeakPolarHBondContact O-CA 3.38Å; D438-G442 PolarHBondContact O-N 2.89Å; S439-G442 PolarHBondContact O-N 3.41Å; G442-G447 PolarHBondContact O-N 3.38Å |
| 443 | L | 96.5 | Very high | 95.8 | Very high | 27 Ų | 27 | 30.9 Ų | 30.9 | 14% | 0.141 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -75.6 | -48.1 | -178.2 | -177.5 | 54.9 | 0 | 0 | 0 | 113.9 | M139 L142 L330 F333 S439 K441 G447 M448 | M139-L443 HydrophobicContact SD-CD1 3.88Å; L142-L443 HydrophobicContact CB-CB 4.44Å; L142-L443 HydrophobicContact CD1-CB 4.34Å; L142-L443 HydrophobicContact CD1-CD2 4.43Å; L142-L443 HydrophobicContact CD2-CB 4.02Å; L142-L443 HydrophobicContact CD2-CD1 3.99Å; L142-L443 HydrophobicContact CD2-CD2 3.92Å; L142-L443 HydrophobicContact CD2-CG 4.16Å; L142-L443 HydrophobicContact CG-CB 4.49Å; L330-L443 HydrophobicContact CD1-CD1 3.63Å; L330-L443 HydrophobicContact CD1-CD2 3.94Å; L330-L443 HydrophobicContact CD1-CG 3.62Å; L330-L443 HydrophobicContact CD2-CD1 4.2Å; F333-L443 HydrophobicContact CD1-CD2 4.2Å; F333-L443 HydrophobicContact CE1-CD2 3.83Å; S439-L443 WeakPolarHBondContact O-CB 3.35Å; S439-L443 PolarHBondContact O-N 3Å; S439-L443 VanDerWaalsContact O-N 3.12Å; K441-L443 VanDerWaalsContact C-N 3.28Å; K441-L443 PolarHBondContact O-N 3.35Å; L443-G447 WeakPolarHBondContact O-CA 3.46Å; L443-M448 PolarHBondContact O-N 3.35Å |
| 444 | C | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -92.9 | -9.6 | -168.9 | -60.8 | 0 | 0 | 0 | 0 | 114.9 | Y10 S13 V16 C334 L440 M448 | Y10-C444 HydrophobicContact CE2-CB 3.91Å; Y10-C444 VanDerWaalsContact OH-CB 3.27Å; Y10-C444 WeakPolarHBondContact OH-CB 3.26Å; Y10-C444 PolarHBondContact OH-SG 3.3Å; Y10-C444 VanDerWaalsContact OH-SG 3.41Å; S13-C444 PolarHBondContact OG-O 3.23Å; V16-C444 HydrophobicContact CG2-CB 4.4Å; V16-C444 WeakPolarHBondContact CG2-O 3.49Å; C334-C444 VanDerWaalsContact CA-SG 3.59Å; C334-C444 HydrophobicContact CB-CB 3.68Å; C334-C444 WeakPolarHBondContact CB-SG 3.47Å; C334-C444 WeakPolarHBondContact SG-CA 3.38Å; C334-C444 WeakPolarHBondContact SG-CB 3.39Å; C334-C444 CovalentContact SG-SG 2.03Å; C334-C444 PolarHBondContact SG-SG 2.89Å; L440-C444 WeakPolarHBondContact O-CB 3.37Å; L440-C444 PolarHBondContact O-N 3.39Å; C444-M448 WeakPolarHBondContact O-CB 3.34Å |
| 445 | Y | 95.9 | Very high | 96.3 | Very high | 77 Ų | 77 | 25.2 Ų | 25.2 | 30% | 0.302 | 12% | 0.119 | S | C | . | . | I | π-helix | trans | -106.4 | -80.6 | 171.2 | -71.1 | -105.1 | 0 | 0 | 0 | 109.6 | Y10 S11 K441 M448 E449 | Y10-Y445 HydrophobicContact CD2-CE2 4.14Å; Y10-Y445 HydrophobicContact CE2-CD2 4.44Å; Y10-Y445 AromaticContact CE2-CE2 3.81Å; Y10-Y445 HydrophobicContact CE2-CE2 3.81Å; S11-Y445 PolarHBondContact O-OH 2.84Å; K441-Y445 HydrophobicContact CB-CD2 4.45Å; K441-Y445 HydrophobicContact CG-CD2 4.35Å; K441-Y445 HydrophobicContact CG-CE2 4.41Å; K441-Y445 VanDerWaalsContact O-CB 3.29Å; K441-Y445 WeakPolarHBondContact O-CB 3.46Å; K441-Y445 PolarHBondContact O-N 3.22Å; Y445-M448 PolarHBondContact O-N 3.36Å; Y445-E449 VanDerWaalsContact O-CB 3.3Å; Y445-E449 WeakPolarHBondContact O-CB 3.26Å; Y445-E449 PolarHBondContact O-N 3.39Å |
| 446 | D | 95.5 | Very high | 96.5 | Very high | 54 Ų | 54 | 27.9 Ų | 27.9 | 29% | 0.289 | 13% | 0.133 | S | C | . | . | I | π-helix | trans | -67.2 | -43.5 | -170.7 | -50.4 | -38.2 | 0 | 0 | 0 | 111.2 | E449 G450 | D446-E449 PolarHBondContact O-N 3.31Å; D446-G450 PolarHBondContact O-N 3.48Å |
| 447 | G | 96.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 2% | 0.021 | 13% | 0.128 | C | C | . | . | I | π-helix | trans | -57.6 | -54.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | G442 L443 E449 G450 L451 | G442-G447 PolarHBondContact O-N 3.38Å; L443-G447 WeakPolarHBondContact O-CA 3.46Å; G447-E449 PolarHBondContact O-N 2.93Å; G447-G450 PolarHBondContact O-N 2.88Å; G447-L451 WeakPolarHBondContact O-CG 3.36Å; G447-L451 PolarHBondContact O-N 3.39Å |
| 448 | M | 96.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.5 | -46.3 | 176.2 | -178.9 | 72.5 | -108.7 | 0 | 0 | 112.1 | W15 V16 V327 L330 L443 C444 Y445 L451 L452 | W15-M448 HydrophobicContact CB-CG 4.1Å; V16-M448 HydrophobicContact CG2-CG 3.95Å; V16-M448 HydrophobicContact CG2-SD 4.3Å; V327-M448 HydrophobicContact CB-CE 3.95Å; V327-M448 HydrophobicContact CG1-CE 3.41Å; V327-M448 VanDerWaalsContact CG1-CE 3.41Å; V327-M448 HydrophobicContact CG2-CE 3.86Å; L330-M448 HydrophobicContact CD2-CB 4.23Å; L330-M448 HydrophobicContact CD2-SD 4.08Å; L330-M448 HydrophobicContact CG-SD 4.27Å; L443-M448 PolarHBondContact O-N 3.35Å; C444-M448 WeakPolarHBondContact O-CB 3.34Å; Y445-M448 PolarHBondContact O-N 3.36Å; M448-L451 PolarHBondContact O-N 3.49Å; M448-L452 HydrophobicContact CE-CD1 3.82Å; M448-L452 HydrophobicContact CE-CD2 4.02Å; M448-L452 HydrophobicContact CE-CG 3.59Å; M448-L452 PolarHBondContact O-N 2.84Å; M448-L452 VanDerWaalsContact O-N 3.14Å |
| 449 | E | 96.6 | Very high | 97 | Very high | 51 Ų | 51 | 28.8 Ų | 28.8 | 24% | 0.238 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -61.4 | -46.6 | 178.7 | 177.6 | 160.3 | -169 | 0 | 0 | 111.6 | Y445 D446 G447 L451 L452 Y453 | Y445-E449 VanDerWaalsContact O-CB 3.3Å; Y445-E449 WeakPolarHBondContact O-CB 3.26Å; Y445-E449 PolarHBondContact O-N 3.39Å; D446-E449 PolarHBondContact O-N 3.31Å; G447-E449 PolarHBondContact O-N 2.93Å; E449-L451 PolarHBondContact O-N 2.92Å; E449-L452 PolarHBondContact O-N 3.39Å; E449-Y453 HydrophobicContact CG-CD2 3.88Å; E449-Y453 HydrophobicContact CG-CE2 3.47Å; E449-Y453 VanDerWaalsContact CG-CE2 3.47Å; E449-Y453 WeakPolarHBondContact O-CD2 3.28Å; E449-Y453 PolarHBondContact O-N 2.9Å; E449-Y453 VanDerWaalsContact O-N 3.11Å; E449-Y453 WeakPolarHBondContact OE1-CE2 3.39Å |
| 450 | G | 97.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -58.5 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.4 | G131 D446 G447 L452 Y453 L454 | G131-G450 CarbonylContact O-C 3.58Å; G131-G450 WeakPolarHBondContact O-CA 3.42Å; D446-G450 PolarHBondContact O-N 3.48Å; G447-G450 PolarHBondContact O-N 2.88Å; G450-L452 VanDerWaalsContact C-N 3.3Å; G450-L452 PolarHBondContact O-N 2.88Å; G450-Y453 PolarHBondContact O-N 3.4Å; G450-L454 WeakPolarHBondContact O-CG 3.46Å; G450-L454 PolarHBondContact O-N 3.25Å |
| 451 | L | 98.1 | Very high | 97.3 | Very high | 18 Ų | 18 | 29.9 Ų | 29.9 | 9% | 0.094 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.6 | -33 | 177.3 | -63.8 | 177.5 | 0 | 0 | 0 | 112.8 | A135 E323 V327 L330 G447 M448 E449 L454 S455 | A135-L451 HydrophobicContact CB-CD2 4.39Å; E323-L451 WeakPolarHBondContact OE2-CD2 3.26Å; V327-L451 HydrophobicContact CG2-CB 3.75Å; L330-L451 HydrophobicContact CD2-CD1 3.69Å; G447-L451 WeakPolarHBondContact O-CG 3.36Å; G447-L451 PolarHBondContact O-N 3.39Å; M448-L451 PolarHBondContact O-N 3.49Å; E449-L451 PolarHBondContact O-N 2.92Å; L451-L454 HydrophobicContact CD2-CD1 4.35Å; L451-L454 PolarHBondContact O-N 2.69Å; L451-S455 PolarHBondContact O-N 3.36Å; L451-S455 PolarHBondContact O-OG 3.24Å |
| 452 | L | 98.1 | Very high | 97.5 | Very high | 36 Ų | 36 | 26 Ų | 26 | 19% | 0.188 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.2 | -40.2 | 174.4 | -74.6 | 170.4 | 0 | 0 | 0 | 112.1 | W15 V327 M448 E449 G450 L454 S455 L456 | W15-L452 HydrophobicContact CB-CD1 3.65Å; W15-L452 HydrophobicContact CD2-CD1 3.65Å; W15-L452 HydrophobicContact CE3-CD1 3.6Å; W15-L452 HydrophobicContact CG-CD1 3.7Å; W15-L452 HydrophobicContact CZ3-CD1 4.42Å; V327-L452 HydrophobicContact CG1-CD2 3.96Å; V327-L452 HydrophobicContact CG2-CD2 4.45Å; M448-L452 HydrophobicContact CE-CD1 3.82Å; M448-L452 HydrophobicContact CE-CD2 4.02Å; M448-L452 HydrophobicContact CE-CG 3.59Å; M448-L452 PolarHBondContact O-N 2.84Å; M448-L452 VanDerWaalsContact O-N 3.14Å; E449-L452 PolarHBondContact O-N 3.39Å; G450-L452 VanDerWaalsContact C-N 3.3Å; G450-L452 PolarHBondContact O-N 2.88Å; L452-L454 VanDerWaalsContact C-N 3.32Å; L452-S455 WeakPolarHBondContact O-CB 3.32Å; L452-S455 PolarHBondContact O-N 3.19Å; L452-L456 PolarHBondContact O-N 3.23Å |
| 453 | Y | 98.4 | Very high | 97.6 | Very high | 72 Ų | 72 | 29.3 Ų | 29.3 | 28% | 0.282 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -65.6 | -36.1 | 173 | -75.4 | -65.1 | 0 | 0 | 0 | 112.1 | I127 Y130 E449 G450 L456 Y457 | I127-Y453 HydrophobicContact CG2-CD1 3.86Å; I127-Y453 HydrophobicContact CG2-CG 4.43Å; I127-Y453 WeakPolarHBondContact CG2-O 3.5Å; Y130-Y453 HydrophobicContact CD1-CD1 4.37Å; Y130-Y453 AromaticContact CD1-CD2 3.9Å; Y130-Y453 HydrophobicContact CD1-CD2 3.9Å; Y130-Y453 HydrophobicContact CD1-CE1 4.48Å; Y130-Y453 HydrophobicContact CD1-CE2 4.05Å; Y130-Y453 HydrophobicContact CD1-CG 4.08Å; Y130-Y453 AromaticContact CE1-CD2 3.69Å; Y130-Y453 HydrophobicContact CE1-CD2 3.69Å; Y130-Y453 HydrophobicContact CE1-CE1 4.38Å; Y130-Y453 AromaticContact CE1-CE2 3.43Å; Y130-Y453 HydrophobicContact CE1-CE2 3.43Å; Y130-Y453 VanDerWaalsContact CE1-CE2 3.43Å; Y130-Y453 HydrophobicContact CE1-CG 4.29Å; Y130-Y453 AromaticContact CE1-CZ 3.79Å; E449-Y453 HydrophobicContact CG-CD2 3.88Å; E449-Y453 HydrophobicContact CG-CE2 3.47Å; E449-Y453 VanDerWaalsContact CG-CE2 3.47Å; E449-Y453 WeakPolarHBondContact O-CD2 3.28Å; E449-Y453 PolarHBondContact O-N 2.9Å; E449-Y453 VanDerWaalsContact O-N 3.11Å; E449-Y453 WeakPolarHBondContact OE1-CE2 3.39Å; G450-Y453 PolarHBondContact O-N 3.4Å; Y453-L456 PolarHBondContact O-N 3.33Å; Y453-Y457 WeakPolarHBondContact O-CB 3.17Å; Y453-Y457 PolarHBondContact O-N 2.76Å |
| 454 | L | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.9 | -41.4 | 171.6 | -71.3 | 176.4 | 0 | 0 | 0 | 112.2 | G128 N132 A135 Y276 G450 L451 L452 L456 Y457 S458 | G128-L454 WeakPolarHBondContact O-CD2 3.28Å; N132-L454 HydrophobicContact CB-CD2 3.98Å; A135-L454 HydrophobicContact CB-CD1 4.45Å; Y276-L454 HydrophobicContact CD1-CD2 3.65Å; Y276-L454 HydrophobicContact CD2-CD1 4.12Å; Y276-L454 HydrophobicContact CE1-CB 4.29Å; Y276-L454 HydrophobicContact CE1-CD1 4.48Å; Y276-L454 HydrophobicContact CE1-CD2 3.88Å; Y276-L454 HydrophobicContact CE1-CG 4.45Å; Y276-L454 HydrophobicContact CE2-CD1 4.04Å; Y276-L454 HydrophobicContact CG-CD1 4.38Å; Y276-L454 HydrophobicContact CG-CD2 4.02Å; G450-L454 WeakPolarHBondContact O-CG 3.46Å; G450-L454 PolarHBondContact O-N 3.25Å; L451-L454 HydrophobicContact CD2-CD1 4.35Å; L451-L454 PolarHBondContact O-N 2.69Å; L452-L454 VanDerWaalsContact C-N 3.32Å; L454-L456 VanDerWaalsContact C-N 3.32Å; L454-L456 PolarHBondContact O-N 3.22Å; L454-Y457 WeakPolarHBondContact O-CB 3.29Å; L454-Y457 PolarHBondContact O-N 2.74Å; L454-S458 PolarHBondContact O-N 3.05Å; L454-S458 PolarHBondContact O-OG 3.37Å |
| 455 | S | 98.1 | Very high | 97.7 | Very high | 17 Ų | 17 | 28 Ų | 28 | 12% | 0.119 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.2 | -42.9 | 172.9 | -59.7 | 0 | 0 | 0 | 0 | 111.3 | L320 E323 L451 L452 S458 F459 | L320-S455 WeakPolarHBondContact CD1-O 3.38Å; E323-S455 WeakPolarHBondContact CB-OG 3.25Å; L451-S455 PolarHBondContact O-N 3.36Å; L451-S455 PolarHBondContact O-OG 3.24Å; L452-S455 WeakPolarHBondContact O-CB 3.32Å; L452-S455 PolarHBondContact O-N 3.19Å; S455-S458 PolarHBondContact O-N 2.79Å; S455-F459 WeakPolarHBondContact O-CB 3.27Å; S455-F459 PolarHBondContact O-N 3.34Å |
| 456 | L | 98.3 | Very high | 97.7 | Very high | 71 Ų | 71 | 25 Ų | 25 | 37% | 0.372 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -63.8 | -43 | 176.1 | -179.6 | 60.5 | 0 | 0 | 0 | 111.8 | I127 L452 Y453 L454 F459 L460 | I127-L456 HydrophobicContact CD1-CD2 4.16Å; I127-L456 HydrophobicContact CG2-CB 4.43Å; I127-L456 HydrophobicContact CG2-CD2 4.15Å; I127-L456 HydrophobicContact CG2-CG 4.36Å; L452-L456 PolarHBondContact O-N 3.23Å; Y453-L456 PolarHBondContact O-N 3.33Å; L454-L456 VanDerWaalsContact C-N 3.32Å; L454-L456 PolarHBondContact O-N 3.22Å; L456-F459 PolarHBondContact O-N 3.5Å; L456-L460 HydrophobicContact CD1-CD1 3.98Å; L456-L460 HydrophobicContact CD1-CG 4Å; L456-L460 HydrophobicContact CG-CD1 3.99Å; L456-L460 HydrophobicContact CG-CG 4.39Å; L456-L460 WeakPolarHBondContact O-CB 3.47Å; L456-L460 VanDerWaalsContact O-CG 3.28Å; L456-L460 WeakPolarHBondContact O-CG 3.45Å; L456-L460 PolarHBondContact O-N 3.43Å |
| 457 | Y | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -55.6 | -54.7 | 173.3 | 157 | -107.8 | 0 | 0 | 0 | 111.5 | A124 I125 Y276 L279 L280 D283 Y453 L454 F459 L460 S461 | A124-Y457 VanDerWaalsContact C-CD2 3.48Å; A124-Y457 HydrophobicContact CB-CD2 3.99Å; A124-Y457 WeakPolarHBondContact O-CD2 3.49Å; I125-Y457 HydrophobicContact CG1-CE2 4.29Å; Y276-Y457 HydrophobicContact CD1-CD1 4.44Å; Y276-Y457 HydrophobicContact CD1-CE1 4.28Å; Y276-Y457 HydrophobicContact CE1-CD1 4.3Å; Y276-Y457 HydrophobicContact CE1-CE1 4.35Å; L279-Y457 HydrophobicContact CD2-CE1 4.01Å; L279-Y457 HydrophobicContact CG-CE1 4.24Å; L280-Y457 HydrophobicContact CD2-CD1 4.46Å; L280-Y457 HydrophobicContact CD2-CD2 3.94Å; L280-Y457 HydrophobicContact CD2-CE1 3.99Å; L280-Y457 HydrophobicContact CD2-CE2 3.37Å; L280-Y457 HydrophobicContact CD2-CG 4.41Å; L280-Y457 HydrophobicContact CG-CE1 4.42Å; L280-Y457 HydrophobicContact CG-CE2 4.49Å; D283-Y457 VanDerWaalsContact CG-OH 3.3Å; D283-Y457 PolarHBondContact OD2-OH 3.5Å; Y453-Y457 WeakPolarHBondContact O-CB 3.17Å; Y453-Y457 PolarHBondContact O-N 2.76Å; L454-Y457 WeakPolarHBondContact O-CB 3.29Å; L454-Y457 PolarHBondContact O-N 2.74Å; Y457-F459 VanDerWaalsContact C-N 3.27Å; Y457-F459 PolarHBondContact O-N 2.87Å; Y457-L460 PolarHBondContact O-N 3.39Å; Y457-S461 VanDerWaalsContact O-CB 3.3Å; Y457-S461 WeakPolarHBondContact O-CB 3.25Å; Y457-S461 PolarHBondContact O-N 2.97Å |
| 458 | S | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60.8 | -37.6 | -177.6 | -67.9 | 0 | 0 | 0 | 0 | 112.1 | S316 S319 L454 S455 G462 | S316-S458 WeakPolarHBondContact O-CB 3.33Å; S319-S458 PolarHBondContact OG-OG 3.2Å; L454-S458 PolarHBondContact O-N 3.05Å; L454-S458 PolarHBondContact O-OG 3.37Å; S455-S458 PolarHBondContact O-N 2.79Å; S458-G462 PolarHBondContact O-N 3.36Å |
| 459 | F | 98.5 | Very high | 97.4 | Very high | 88 Ų | 88 | 24.2 Ų | 24.2 | 39% | 0.386 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -65.1 | -51.5 | 174.1 | 178.2 | -104.3 | 0 | 0 | 0 | 112.5 | W317 L320 S455 L456 Y457 S461 G462 L463 | W317-F459 HydrophobicContact CH2-CD2 4.04Å; W317-F459 HydrophobicContact CH2-CE2 4.2Å; W317-F459 HydrophobicContact CZ3-CD2 4.14Å; L320-F459 HydrophobicContact CD2-CB 4.16Å; L320-F459 HydrophobicContact CD2-CD2 4.23Å; S455-F459 WeakPolarHBondContact O-CB 3.27Å; S455-F459 PolarHBondContact O-N 3.34Å; L456-F459 PolarHBondContact O-N 3.5Å; Y457-F459 VanDerWaalsContact C-N 3.27Å; Y457-F459 PolarHBondContact O-N 2.87Å; F459-S461 PolarHBondContact O-N 2.82Å; F459-G462 PolarHBondContact O-N 3.46Å; F459-L463 HydrophobicContact CD1-CD1 4.16Å; F459-L463 HydrophobicContact CE1-CD1 3.53Å; F459-L463 HydrophobicContact CE1-CG 4.44Å; F459-L463 HydrophobicContact CE2-CD1 4.25Å; F459-L463 HydrophobicContact CE2-CG 4.49Å; F459-L463 HydrophobicContact CZ-CD1 3.6Å; F459-L463 HydrophobicContact CZ-CG 4.3Å; F459-L463 WeakPolarHBondContact O-CG 3.18Å; F459-L463 PolarHBondContact O-N 2.96Å |
| 460 | L | 98.4 | Very high | 97.1 | Very high | 32 Ų | 32 | 22.4 Ų | 22.4 | 17% | 0.168 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.4 | -38.8 | -179.4 | -67.6 | 177.7 | 0 | 0 | 0 | 112 | L120 A124 I127 L456 Y457 L463 A464 | L120-L460 HydrophobicContact CD1-CD2 4.36Å; A124-L460 HydrophobicContact CB-CB 3.66Å; A124-L460 HydrophobicContact CB-CD1 4.46Å; I127-L460 HydrophobicContact CD1-CD1 3.82Å; L456-L460 HydrophobicContact CD1-CD1 3.98Å; L456-L460 HydrophobicContact CD1-CG 4Å; L456-L460 HydrophobicContact CG-CD1 3.99Å; L456-L460 HydrophobicContact CG-CG 4.39Å; L456-L460 WeakPolarHBondContact O-CB 3.47Å; L456-L460 VanDerWaalsContact O-CG 3.28Å; L456-L460 WeakPolarHBondContact O-CG 3.45Å; L456-L460 PolarHBondContact O-N 3.43Å; Y457-L460 PolarHBondContact O-N 3.39Å; L460-L463 PolarHBondContact O-N 3.48Å; L460-A464 WeakPolarHBondContact O-CB 3.26Å; L460-A464 PolarHBondContact O-N 3.1Å |
| 461 | S | 98.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.7 | -43.8 | 175.9 | -168.7 | 0 | 0 | 0 | 0 | 111.4 | D283 S316 Y457 F459 L463 A464 F465 | D283-S461 PolarHBondContact OD2-OG 3.27Å; S316-S461 PolarHBondContact OG-OG 3.28Å; Y457-S461 VanDerWaalsContact O-CB 3.3Å; Y457-S461 WeakPolarHBondContact O-CB 3.25Å; Y457-S461 PolarHBondContact O-N 2.97Å; F459-S461 PolarHBondContact O-N 2.82Å; S461-L463 VanDerWaalsContact C-N 3.34Å; S461-L463 PolarHBondContact O-N 3.4Å; S461-A464 PolarHBondContact O-N 3.28Å; S461-A464 VanDerWaalsContact O-N 3.16Å; S461-F465 VanDerWaalsContact O-CD2 3.31Å; S461-F465 WeakPolarHBondContact O-CD2 3.39Å; S461-F465 PolarHBondContact O-N 2.84Å; S461-F465 WeakPolarHBondContact OG-CD2 3.43Å; S461-F465 WeakPolarHBondContact OG-CE2 3.4Å |
| 462 | G | 98.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57.3 | -43.9 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | L313 S458 F459 T466 | L313-G462 VanDerWaalsContact CD1-O 3.24Å; L313-G462 WeakPolarHBondContact CD1-O 2.79Å; S458-G462 PolarHBondContact O-N 3.36Å; F459-G462 PolarHBondContact O-N 3.46Å; G462-T466 WeakPolarHBondContact O-CB 3.19Å; G462-T466 PolarHBondContact O-N 2.92Å; G462-T466 VanDerWaalsContact O-N 3.09Å; G462-T466 PolarHBondContact O-OG1 3.22Å |
| 463 | L | 97.7 | Very high | 95 | Very high | 71 Ų | 71 | 20.3 Ų | 20.3 | 37% | 0.372 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -65.6 | -43.6 | 174.2 | -67.8 | -178.5 | 0 | 0 | 0 | 112.4 | W317 F459 L460 S461 T466 A467 | W317-L463 HydrophobicContact CZ2-CD2 4.34Å; F459-L463 HydrophobicContact CD1-CD1 4.16Å; F459-L463 HydrophobicContact CE1-CD1 3.53Å; F459-L463 HydrophobicContact CE1-CG 4.44Å; F459-L463 HydrophobicContact CE2-CD1 4.25Å; F459-L463 HydrophobicContact CE2-CG 4.49Å; F459-L463 HydrophobicContact CZ-CD1 3.6Å; F459-L463 HydrophobicContact CZ-CG 4.3Å; F459-L463 WeakPolarHBondContact O-CG 3.18Å; F459-L463 PolarHBondContact O-N 2.96Å; L460-L463 PolarHBondContact O-N 3.48Å; S461-L463 VanDerWaalsContact C-N 3.34Å; S461-L463 PolarHBondContact O-N 3.4Å; L463-T466 WeakPolarHBondContact O-CB 3.24Å; L463-T466 PolarHBondContact O-N 3.4Å; L463-A467 PolarHBondContact O-N 2.8Å |
| 464 | A | 97.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.4 | -47.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | L120 C121 L460 S461 T466 A467 I468 | L120-A464 HydrophobicContact CB-CB 4.46Å; L120-A464 HydrophobicContact CD2-CB 4.28Å; L120-A464 HydrophobicContact CG-CB 4.39Å; C121-A464 HydrophobicContact CB-CB 3.78Å; L460-A464 WeakPolarHBondContact O-CB 3.26Å; L460-A464 PolarHBondContact O-N 3.1Å; S461-A464 PolarHBondContact O-N 3.28Å; S461-A464 VanDerWaalsContact O-N 3.16Å; A464-T466 VanDerWaalsContact C-N 3.32Å; A464-T466 PolarHBondContact O-N 2.86Å; A464-A467 PolarHBondContact O-N 3.39Å; A464-A467 VanDerWaalsContact O-N 3.15Å; A464-I468 WeakPolarHBondContact O-CB 3.42Å; A464-I468 VanDerWaalsContact O-CG1 3.31Å; A464-I468 WeakPolarHBondContact O-CG1 3.35Å; A464-I468 PolarHBondContact O-N 3.38Å |
| 465 | F | 97.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -66 | -33.5 | 176.8 | -76.4 | -58 | 0 | 0 | 0 | 113 | D283 V286 A309 A312 L313 S461 A467 I468 L469 | D283-F465 HydrophobicContact CB-CE2 4.22Å; D283-F465 HydrophobicContact CB-CZ 4.11Å; D283-F465 VanDerWaalsContact CG-CE2 3.47Å; D283-F465 WeakPolarHBondContact OD1-CE2 3.48Å; D283-F465 WeakPolarHBondContact OD2-CE2 3.4Å; V286-F465 HydrophobicContact CB-CE1 4.23Å; V286-F465 HydrophobicContact CB-CZ 4.45Å; V286-F465 HydrophobicContact CG1-CE1 3.65Å; V286-F465 HydrophobicContact CG1-CZ 4.34Å; A309-F465 HydrophobicContact CB-CD1 3.95Å; A309-F465 HydrophobicContact CB-CE1 4.35Å; A312-F465 HydrophobicContact CB-CD1 4.37Å; A312-F465 HydrophobicContact CB-CD2 3.8Å; A312-F465 HydrophobicContact CB-CE1 4.07Å; A312-F465 HydrophobicContact CB-CE2 3.42Å; A312-F465 VanDerWaalsContact CB-CE2 3.42Å; A312-F465 HydrophobicContact CB-CG 4.27Å; A312-F465 HydrophobicContact CB-CZ 3.59Å; L313-F465 HydrophobicContact CB-CB 4.06Å; L313-F465 HydrophobicContact CD1-CB 4.07Å; S461-F465 VanDerWaalsContact O-CD2 3.31Å; S461-F465 WeakPolarHBondContact O-CD2 3.39Å; S461-F465 PolarHBondContact O-N 2.84Å; S461-F465 WeakPolarHBondContact OG-CD2 3.43Å; S461-F465 WeakPolarHBondContact OG-CE2 3.4Å; F465-A467 VanDerWaalsContact C-N 3.33Å; F465-A467 PolarHBondContact O-N 2.81Å; F465-I468 HydrophobicContact CD1-CD1 3.93Å; F465-I468 HydrophobicContact CE1-CD1 4.14Å; F465-I468 PolarHBondContact O-N 3.49Å; F465-L469 WeakPolarHBondContact O-CB 3.16Å; F465-L469 VanDerWaalsContact O-CG 3.26Å; F465-L469 WeakPolarHBondContact O-CG 3.44Å; F465-L469 PolarHBondContact O-N 2.85Å |
| 466 | T | 96.6 | Very high | 90.8 | Very high | 12 Ų | 12 | 20 Ų | 20 | 7% | 0.074 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -58.8 | -46.7 | 171.3 | -55.3 | 0 | 0 | 0 | 0 | 110.5 | S61 V64 V65 L313 G462 L463 A464 L469 C470 | S61-T466 WeakPolarHBondContact CB-OG1 3.39Å; S61-T466 PolarHBondContact OG-OG1 3.31Å; V64-T466 HydrophobicContact CG1-CG2 4.34Å; V65-T466 HydrophobicContact CG2-CG2 4Å; L313-T466 WeakPolarHBondContact CD1-OG1 3.3Å; G462-T466 WeakPolarHBondContact O-CB 3.19Å; G462-T466 PolarHBondContact O-N 2.92Å; G462-T466 VanDerWaalsContact O-N 3.09Å; G462-T466 PolarHBondContact O-OG1 3.22Å; L463-T466 WeakPolarHBondContact O-CB 3.24Å; L463-T466 PolarHBondContact O-N 3.4Å; A464-T466 VanDerWaalsContact C-N 3.32Å; A464-T466 PolarHBondContact O-N 2.86Å; T466-L469 PolarHBondContact O-N 3.5Å; T466-C470 PolarHBondContact O-N 3.44Å; T466-C470 VanDerWaalsContact O-N 3.13Å; T466-C470 PolarHBondContact O-SG 3.25Å |
| 467 | A | 94.3 | Very high | 89.1 | Confident | 34 Ų | 34 | 24.1 Ų | 24.1 | 28% | 0.281 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -69 | -37.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | A117 L463 A464 F465 C470 S471 | A117-A467 HydrophobicContact CB-CB 3.73Å; L463-A467 PolarHBondContact O-N 2.8Å; A464-A467 PolarHBondContact O-N 3.39Å; A464-A467 VanDerWaalsContact O-N 3.15Å; F465-A467 VanDerWaalsContact C-N 3.33Å; F465-A467 PolarHBondContact O-N 2.81Å; A467-C470 PolarHBondContact O-N 3.12Å; A467-S471 WeakPolarHBondContact O-CB 3.22Å; A467-S471 PolarHBondContact O-N 3.22Å; A467-S471 PolarHBondContact O-OG 3.24Å |
| 468 | I | 93.6 | Very high | 87.3 | Confident | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -60.3 | -49 | 173.2 | -74.1 | 168.9 | 0 | 0 | 0 | 110.2 | A117 V118 I290 A309 A464 F465 C470 S471 L472 | A117-I468 HydrophobicContact CB-CG1 3.74Å; V118-I468 HydrophobicContact CG2-CD1 4.01Å; V118-I468 HydrophobicContact CG2-CG1 4.32Å; I290-I468 HydrophobicContact CD1-CD1 4.48Å; I290-I468 HydrophobicContact CD1-CG2 3.56Å; A309-I468 HydrophobicContact CB-CG2 4.44Å; A464-I468 WeakPolarHBondContact O-CB 3.42Å; A464-I468 VanDerWaalsContact O-CG1 3.31Å; A464-I468 WeakPolarHBondContact O-CG1 3.35Å; A464-I468 PolarHBondContact O-N 3.38Å; F465-I468 HydrophobicContact CD1-CD1 3.93Å; F465-I468 HydrophobicContact CE1-CD1 4.14Å; F465-I468 PolarHBondContact O-N 3.49Å; I468-C470 VanDerWaalsContact C-N 3.27Å; I468-C470 PolarHBondContact O-N 3.39Å; I468-S471 PolarHBondContact O-N 3.37Å; I468-S471 VanDerWaalsContact O-N 3.17Å; I468-S471 PolarHBondContact O-OG 3.4Å; I468-L472 HydrophobicContact CG2-CD1 3.43Å; I468-L472 VanDerWaalsContact CG2-CD1 3.43Å; I468-L472 HydrophobicContact CG2-CG 3.98Å; I468-L472 WeakPolarHBondContact O-CB 3.32Å; I468-L472 VanDerWaalsContact O-CG 3.26Å; I468-L472 WeakPolarHBondContact O-CG 3.33Å; I468-L472 PolarHBondContact O-N 3.08Å |
| 469 | L | 94.3 | Very high | 85.9 | Confident | 5 Ų | 5 | 27.6 Ų | 27.6 | 3% | 0.026 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -65.7 | -29.5 | -179.5 | -72.1 | 170.2 | 0 | 0 | 0 | 112.9 | V65 T306 A309 W310 L313 F465 T466 P473 | V65-L469 HydrophobicContact CG1-CB 4.28Å; V65-L469 HydrophobicContact CG2-CB 4.08Å; T306-L469 HydrophobicContact CG2-CD2 3.86Å; A309-L469 HydrophobicContact CB-CD2 3.89Å; A309-L469 HydrophobicContact CB-CG 4.29Å; W310-L469 HydrophobicContact CD2-CD1 3.8Å; W310-L469 HydrophobicContact CD2-CD2 4.33Å; W310-L469 HydrophobicContact CE3-CD1 3.98Å; W310-L469 HydrophobicContact CG-CD1 4.16Å; W310-L469 HydrophobicContact CG-CD2 4.09Å; W310-L469 HydrophobicContact CZ2-CD1 4.36Å; W310-L469 HydrophobicContact CZ3-CD1 4.32Å; L313-L469 HydrophobicContact CB-CD1 4.35Å; L313-L469 HydrophobicContact CD2-CD1 3.8Å; F465-L469 WeakPolarHBondContact O-CB 3.16Å; F465-L469 VanDerWaalsContact O-CG 3.26Å; F465-L469 WeakPolarHBondContact O-CG 3.44Å; F465-L469 PolarHBondContact O-N 2.85Å; T466-L469 PolarHBondContact O-N 3.5Å; L469-P473 WeakPolarHBondContact O-CD 3.22Å |
| 470 | C | 90.9 | Very high | 83.9 | Confident | 13 Ų | 13 | 27.9 Ų | 27.9 | 9% | 0.088 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -71.4 | -45.5 | 170.9 | -64.2 | 0 | 0 | 0 | 0 | 111.6 | F68 T466 A467 I468 | F68-C470 HydrophobicContact CB-CB 4.31Å; F68-C470 HydrophobicContact CD1-CB 3.97Å; F68-C470 WeakPolarHBondContact CD1-O 3.39Å; F68-C470 HydrophobicContact CD2-CB 4.15Å; F68-C470 HydrophobicContact CE1-CB 4.39Å; F68-C470 WeakPolarHBondContact CE1-O 3.46Å; F68-C470 HydrophobicContact CG-CB 3.86Å; T466-C470 PolarHBondContact O-N 3.44Å; T466-C470 VanDerWaalsContact O-N 3.13Å; T466-C470 PolarHBondContact O-SG 3.25Å; A467-C470 PolarHBondContact O-N 3.12Å; I468-C470 VanDerWaalsContact C-N 3.27Å; I468-C470 PolarHBondContact O-N 3.39Å |
| 471 | S | 86.8 | Confident | 81.7 | Confident | 4 Ų | 4 | 28 Ų | 28 | 3% | 0.028 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -79.2 | -30 | -172.5 | 54 | 0 | 0 | 0 | 0 | 114.4 | V110 A114 A467 I468 G474 | V110-S471 WeakPolarHBondContact CG1-O 3.37Å; A114-S471 WeakPolarHBondContact CA-OG 3.29Å; A114-S471 WeakPolarHBondContact CB-OG 3.29Å; A467-S471 WeakPolarHBondContact O-CB 3.22Å; A467-S471 PolarHBondContact O-N 3.22Å; A467-S471 PolarHBondContact O-OG 3.24Å; I468-S471 PolarHBondContact O-N 3.37Å; I468-S471 VanDerWaalsContact O-N 3.17Å; I468-S471 PolarHBondContact O-OG 3.4Å; S471-G474 PolarHBondContact O-N 3.04Å |
| 472 | L | 82.8 | Confident | 79.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -52.7 | -59.3 | -178.6 | -83.8 | 170.3 | 0 | 0 | 0 | 111.2 | I290 L302 I468 G474 A475 W476 | I290-L472 HydrophobicContact CD1-CD1 4.25Å; I290-L472 HydrophobicContact CG2-CD2 4.22Å; L302-L472 HydrophobicContact CD2-CD2 4.02Å; I468-L472 HydrophobicContact CG2-CD1 3.43Å; I468-L472 VanDerWaalsContact CG2-CD1 3.43Å; I468-L472 HydrophobicContact CG2-CG 3.98Å; I468-L472 WeakPolarHBondContact O-CB 3.32Å; I468-L472 VanDerWaalsContact O-CG 3.26Å; I468-L472 WeakPolarHBondContact O-CG 3.33Å; I468-L472 PolarHBondContact O-N 3.08Å; L472-G474 PolarHBondContact O-N 2.68Å; L472-A475 WeakPolarHBondContact O-CA 3.28Å; L472-A475 WeakPolarHBondContact O-CB 3.49Å; L472-A475 PolarHBondContact O-N 3.27Å; L472-W476 PolarHBondContact O-N 3.21Å; L472-W476 PolarHBondContact O-NE1 3.16Å |
| 473 | P | 79.5 | Confident | 76.8 | Confident | 6 Ų | 6 | 40.8 Ų | 40.8 | 4% | 0.039 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -42.7 | -33.8 | -176.7 | -30.9 | 31.6 | 0 | 0 | 0 | 117 | L69 Y72 L469 W476 | L69-P473 HydrophobicContact CD2-CB 4.11Å; L69-P473 HydrophobicContact CD2-CG 3.45Å; L69-P473 VanDerWaalsContact CD2-CG 3.45Å; Y72-P473 HydrophobicContact CD1-CB 4.48Å; L469-P473 WeakPolarHBondContact O-CD 3.22Å; P473-W476 VanDerWaalsContact CA-NE1 3.35Å; P473-W476 HydrophobicContact CB-CH2 4.46Å; P473-W476 HydrophobicContact CB-CZ2 3.89Å; P473-W476 HydrophobicContact CG-CH2 4.28Å; P473-W476 HydrophobicContact CG-CZ2 3.59Å |
| 474 | G | 69.1 | Low | 74.2 | Confident | 9 Ų | 9 | 43.7 Ų | 43.7 | 9% | 0.093 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -74.1 | -34.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y72 S471 L472 | Y72-G474 WeakPolarHBondContact OH-CA 3.2Å; S471-G474 PolarHBondContact O-N 3.04Å; L472-G474 PolarHBondContact O-N 2.68Å |
| 475 | A | 67.9 | Low | 71.4 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 2% | 0.017 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73.9 | -30.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | L294 L472 S478 F479 | L294-A475 HydrophobicContact CD2-CB 3.62Å; L472-A475 WeakPolarHBondContact O-CA 3.28Å; L472-A475 WeakPolarHBondContact O-CB 3.49Å; L472-A475 PolarHBondContact O-N 3.27Å; A475-S478 PolarHBondContact O-OG 3.12Å; A475-F479 WeakPolarHBondContact O-CD2 3.32Å; A475-F479 VanDerWaalsContact O-CE2 3.28Å; A475-F479 WeakPolarHBondContact O-CE2 3.39Å; A475-F479 WeakPolarHBondContact O-CZ 3.49Å |
| 476 | W | 69.2 | Low | 68.9 | Low | 73 Ų | 73 | 61.8 Ų | 61.8 | 28% | 0.277 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -73.1 | -36.7 | -175.4 | -11.7 | -36.1 | 0 | 0 | 0 | 111.9 | L472 P473 S478 | L472-W476 PolarHBondContact O-N 3.21Å; L472-W476 PolarHBondContact O-NE1 3.16Å; P473-W476 VanDerWaalsContact CA-NE1 3.35Å; P473-W476 HydrophobicContact CB-CH2 4.46Å; P473-W476 HydrophobicContact CB-CZ2 3.89Å; P473-W476 HydrophobicContact CG-CH2 4.28Å; P473-W476 HydrophobicContact CG-CZ2 3.59Å; W476-S478 VanDerWaalsContact C-N 3.34Å |
| 477 | R | 62.7 | Low | 66.2 | Low | 156 Ų | 156 | 67.8 Ų | 67.8 | 59% | 0.589 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -81.3 | -14.3 | -177.3 | -73 | -162.9 | -179.7 | 96.5 | -6.2 | 113.2 | F479 | R477-F479 VanDerWaalsContact C-N 3.27Å |
| 478 | S | 60.9 | Low | 63.7 | Low | 56 Ų | 56 | 73.2 Ų | 73.2 | 39% | 0.392 | 37% | 0.366 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -10.7 | 172.9 | 52.7 | 0 | 0 | 0 | 0 | 113.7 | A475 W476 | A475-S478 PolarHBondContact O-OG 3.12Å; W476-S478 VanDerWaalsContact C-N 3.34Å |
| 479 | F | 68.3 | Low | 61.3 | Low | 18 Ų | 18 | 78.3 Ų | 78.3 | 8% | 0.079 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -81.6 | 137.5 | 176.2 | -55.5 | -37.5 | 0 | 0 | 0 | 109.9 | Q297 R299 L302 A475 R477 | Q297-F479 HydrophobicContact CB-CB 4.34Å; Q297-F479 HydrophobicContact CB-CD1 3.52Å; Q297-F479 HydrophobicContact CB-CD2 4.11Å; Q297-F479 HydrophobicContact CB-CE1 3.76Å; Q297-F479 HydrophobicContact CB-CE2 4.28Å; Q297-F479 HydrophobicContact CB-CG 3.73Å; Q297-F479 HydrophobicContact CB-CZ 4.13Å; Q297-F479 HydrophobicContact CG-CD1 3.52Å; Q297-F479 HydrophobicContact CG-CE1 3.5Å; Q297-F479 VanDerWaalsContact CG-CE1 3.5Å; Q297-F479 HydrophobicContact CG-CG 4.27Å; Q297-F479 HydrophobicContact CG-CZ 4.19Å; R299-F479 HydrophobicContact CG-CB 4.49Å; R299-F479 HydrophobicContact CG-CD2 4.15Å; R299-F479 PolarHBondContact NH2-O 3.41Å; L302-F479 HydrophobicContact CD1-CE2 3.64Å; L302-F479 HydrophobicContact CD1-CZ 4.26Å; A475-F479 WeakPolarHBondContact O-CD2 3.32Å; A475-F479 VanDerWaalsContact O-CE2 3.28Å; A475-F479 WeakPolarHBondContact O-CE2 3.39Å; A475-F479 WeakPolarHBondContact O-CZ 3.49Å; R477-F479 VanDerWaalsContact C-N 3.27Å |
| 480 | P | 58 | Low | 58.9 | Low | 93 Ų | 93 | 85.8 Ų | 85.8 | 60% | 0.604 | 44% | 0.442 | S | S | * | . | P | Polyproline II helix | trans | -59.4 | 145.4 | 177.6 | 18.1 | -25.7 | 0 | 0 | 0 | 111.6 | R299 | R299-P480 PolarHBondContact NH2-O 3.07Š|
| 481 | S | 52 | Low | 56.7 | Low | 35 Ų | 35 | 90 Ų | 90 | 25% | 0.245 | 47% | 0.472 | C | S | . | . | P | Polyproline II helix | trans | -70.6 | 126.9 | 171.4 | -34.4 | 0 | 0 | 0 | 0 | 108.4 | R299 S483 E484 | R299-S481 VanDerWaalsContact NH2-CA 3.29Å; R299-S481 VanDerWaalsContact NH2-N 3.15Å; S481-S483 VanDerWaalsContact CB-OG 3.24Å; S481-S483 WeakPolarHBondContact CB-OG 3.41Å; S481-S483 PolarHBondContact O-N 2.8Å; S481-E484 WeakPolarHBondContact CB-OE2 3.24Å; S481-E484 PolarHBondContact O-N 3.04Å; S481-E484 PolarHBondContact OG-OE2 2.89Å |
| 482 | E | 50.5 | Low | 54.4 | Low | 187 Ų | 187 | 99.5 Ų | 99.5 | 87% | 0.874 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -9.1 | 168.3 | -125.4 | 172.8 | 117.9 | 0 | 0 | 112.8 | ||
| 483 | S | 43.4 | Very low | 52.4 | Low | 82 Ų | 82 | 104.5 Ų | 104.5 | 57% | 0.573 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | -11 | 176.6 | 59.6 | 0 | 0 | 0 | 0 | 115.5 | S481 | S481-S483 VanDerWaalsContact CB-OG 3.24Å; S481-S483 WeakPolarHBondContact CB-OG 3.41Å; S481-S483 PolarHBondContact O-N 2.8Å |
| 484 | E | 42.2 | Very low | 50.4 | Low | 131 Ų | 131 | 112.9 Ų | 112.9 | 61% | 0.612 | 59% | 0.589 | S | S | * | * | S | Bend | trans | -90.4 | -7.8 | -178.2 | -83.3 | 167.7 | 131.3 | 0 | 0 | 113.6 | S481 | S481-E484 WeakPolarHBondContact CB-OE2 3.24Å; S481-E484 PolarHBondContact O-N 3.04Å; S481-E484 PolarHBondContact OG-OE2 2.89Å |
| 485 | E | 39.6 | Very low | 48.8 | Very low | 178 Ų | 178 | 120.2 Ų | 120.2 | 83% | 0.832 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -91.8 | 0.3 | -179.9 | -154.6 | 165.4 | -166.6 | 0 | 0 | 113.3 | ||
| 486 | Y | 44.3 | Very low | 47.7 | Very low | 202 Ų | 202 | 124.9 Ų | 124.9 | 79% | 0.792 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -109.2 | -12 | -178.8 | -84.6 | -76.2 | 0 | 0 | 0 | 115.4 | ||
| 487 | D | 39.5 | Very low | 46.2 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 74% | 0.743 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -101.4 | -3.1 | -175.3 | -91.4 | -26.4 | 0 | 0 | 0 | 115 | ||
| 488 | D | 41.7 | Very low | 44.8 | Very low | 147 Ų | 147 | 129.7 Ų | 129.7 | 79% | 0.786 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 15.4 | -178.1 | -90.1 | -10.2 | 0 | 0 | 0 | 114.6 | ||
| 489 | S | 43.8 | Very low | 43.2 | Very low | 109 Ų | 109 | 132 Ų | 132 | 76% | 0.762 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | -2.9 | -180 | -71.9 | 0 | 0 | 0 | 0 | 116.4 | ||
| 490 | D | 44.8 | Very low | 41.8 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 87% | 0.866 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -113.8 | 30.4 | -171.5 | -78.6 | -13.3 | 0 | 0 | 0 | 114.9 | ||
| 491 | S | 42.9 | Very low | 40.5 | Very low | 101 Ų | 101 | 144.8 Ų | 144.8 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | trans | -141.8 | 58.2 | 175.7 | 58 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 492 | E | 39.4 | Very low | 39.4 | Very low | 203 Ų | 203 | 151.2 Ų | 151.2 | 95% | 0.949 | 80% | 0.795 | S | S | * | * | trans | -133.6 | 108.1 | 151.2 | -72.1 | -163.9 | 126.4 | 0 | 0 | 111 | ||||
| 493 | S | 40.7 | Very low | 38.3 | Very low | 105 Ų | 105 | 147.5 Ų | 147.5 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -79.8 | 135.6 | 177 | 49 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 494 | E | 38.6 | Very low | 37.8 | Very low | 183 Ų | 183 | 153.7 Ų | 153.7 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | 62.3 | 110.4 | 145.2 | -62.3 | -175.7 | 115.2 | 0 | 0 | 120.7 | ||||
| 495 | D | 35.2 | Very low | 37.1 | Very low | 163 Ų | 163 | 157.9 Ų | 157.9 | 87% | 0.872 | 82% | 0.817 | S | S | * | * | -158 | 124 | 121.5 | -129 | -14.9 | 0 | 0 | 0 | 112.4 | |||||
| 496 | P | 43.6 | Very low | 36.7 | Very low | 100 Ų | 100 | 159 Ų | 159 | 65% | 0.649 | 82% | 0.819 | S | S | * | * | trans | -105.3 | 40 | -168.4 | 39.8 | -34.6 | 0 | 0 | 0 | 115 | ||||
| 497 | F | 38.3 | Very low | 36.1 | Very low | 191 Ų | 191 | 156.1 Ų | 156.1 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | trans | -155.1 | 96.7 | 173.5 | -85 | -81.7 | 0 | 0 | 0 | 114 | ||||
| 498 | T | 33.4 | Very low | 35.6 | Very low | 138 Ų | 138 | 157.5 Ų | 157.5 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | trans | -157.7 | 98.3 | 138.1 | 46.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 499 | S | 28.2 | Very low | 35.4 | Very low | 105 Ų | 105 | 161.4 Ų | 161.4 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | trans | 18.8 | 117.1 | 145.6 | 59.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 500 | H | 37.2 | Very low | 34.6 | Very low | 188 Ų | 188 | 165 Ų | 165 | 87% | 0.87 | 83% | 0.828 | S | S | * | * | 42 | 98.6 | 128.5 | -88.7 | -80.4 | 0 | 0 | 0 | 118.1 | |||||
| 501 | Q | 30.4 | Very low | 34.5 | Very low | 192 Ų | 192 | 162 Ų | 162 | 90% | 0.897 | 82% | 0.817 | S | S | * | * | trans | -163.9 | 53.4 | 132.6 | -114.2 | 168.3 | 26.1 | 0 | 0 | 114.4 | ||||
| 502 | D | 28.9 | Very low | 34.5 | Very low | 169 Ų | 169 | 168.7 Ų | 168.7 | 90% | 0.904 | 83% | 0.827 | S | S | * | * | trans | -122.6 | 97.1 | 157.9 | -93.5 | -36.5 | 0 | 0 | 0 | 110.6 | ||||
| 503 | S | 29.2 | Very low | 34.3 | Very low | 110 Ų | 110 | 170.9 Ų | 170.9 | 77% | 0.769 | 84% | 0.843 | S | S | * | * | trans | -158.6 | 70.1 | 154 | -176.5 | 0 | 0 | 0 | 0 | 110 | ||||
| 504 | K | 31.2 | Very low | 33.9 | Very low | 211 Ų | 211 | 174.2 Ų | 174.2 | 92% | 0.917 | 85% | 0.849 | S | S | * | * | trans | -108.5 | 89.9 | 146 | -80.2 | -173.3 | -178.9 | 175.6 | 0 | 108.5 | ||||
| 505 | R | 29 | Very low | 33.7 | Very low | 220 Ų | 220 | 173.7 Ų | 173.7 | 83% | 0.83 | 85% | 0.848 | S | S | * | * | trans | -0.3 | 117.6 | 151.9 | -88.7 | -179.7 | 173.8 | -173.4 | -2.6 | 115.8 | ||||
| 506 | F | 31.6 | Very low | 33.6 | Very low | 200 Ų | 200 | 174.3 Ų | 174.3 | 88% | 0.877 | 85% | 0.847 | S | S | * | * | -16.6 | 129 | 126.9 | -105.3 | -95.7 | 0 | 0 | 0 | 114.6 | |||||
| 507 | L | 31 | Very low | 33 | Very low | 143 Ų | 143 | 178.6 Ų | 178.6 | 75% | 0.749 | 86% | 0.859 | S | S | * | * | trans | 151.9 | 123.3 | 152.2 | -85.7 | 155.9 | 0 | 0 | 0 | 104.7 | ||||
| 508 | Q | 28.5 | Very low | 32.7 | Very low | 167 Ų | 167 | 177.9 Ų | 177.9 | 78% | 0.78 | 86% | 0.86 | S | S | * | * | cis | -174.3 | 141.7 | 33 | -168.8 | 166 | -24.5 | 0 | 0 | 107.3 | ||||
| 509 | W | 37.4 | Very low | 32.6 | Very low | 230 Ų | 230 | 180.5 Ų | 180.5 | 87% | 0.871 | 86% | 0.861 | S | S | * | * | trans | -35.6 | 140 | 158.8 | -79.8 | 75.5 | 0 | 0 | 0 | 113.3 | ||||
| 510 | Q | 28 | Very low | 33 | Very low | 185 Ų | 185 | 185.9 Ų | 185.9 | 86% | 0.864 | 87% | 0.87 | S | S | * | * | trans | -135.8 | 147.4 | 152.4 | -85.7 | -158.5 | -52 | 0 | 0 | 112.5 | ||||
| 511 | P | 41.2 | Very low | 32.6 | Very low | 98 Ų | 98 | 185.8 Ų | 185.8 | 64% | 0.636 | 87% | 0.87 | S | S | * | * | trans | -108 | 156 | -142.9 | 30.2 | -14.6 | 0 | 0 | 0 | 112.4 | ||||
| 512 | W | 42.7 | Very low | 32.8 | Very low | 242 Ų | 242 | 185.3 Ų | 185.3 | 92% | 0.917 | 87% | 0.868 | S | S | * | * | trans | 13.1 | 106.9 | 154.3 | -59.9 | 93.9 | 0 | 0 | 0 | 117.5 | ||||
| 513 | L | 35.3 | Very low | 33.2 | Very low | 248 Ų | 248 | 186.7 Ų | 186.7 | 100% | 1.298 | 87% | 0.865 | S | S | * | * | trans | -157.6 | 0 | 134.1 | -108.7 | 156.8 | 0 | 0 | 0 | 109.6 |
Retrieved 513 of 513 residues in 438.2 ms
(Link to these results)