JMT_ARATH Loading...

Jasmonate O-methyltransferase

Catalyzes the methylation of jasmonate into methyljasmonate, a plant volatile that acts as an important cellular regulator mediating diverse developmental processes and defense responses.

AlphaFold DB , UniProt , Accession Q9AR07, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene JMT, Length 389 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M71Confident86.9Confident94 Ų9461.9 Ų61.946%0.46328%0.283SS..  0126.50-175.9-170-65.900109.3V3 V6 V168 F274M1-V3 PolarHBondContact O-N 3.47Å; M1-V6 HydrophobicContact CG-CG2 3.41Å; M1-V6 VanDerWaalsContact CG-CG2 3.41Å; M1-V6 HydrophobicContact SD-CG2 3.64Å; M1-V168 HydrophobicContact CB-CG2 4.09Å; M1-F274 HydrophobicContact CE-CD2 3.77Å; M1-F274 HydrophobicContact CE-CE2 3.11Å; M1-F274 HydrophobicContact CE-CZ 3.57Å
2E80.7Confident87.5Confident96 Ų9658.7 Ų58.745%0.44928%0.279SS..  trans-89.493.7175.9-169.7-175.716400109.6M4 R5 V6E2-M4 VanDerWaalsContact C-N 3.31Å; E2-M4 PolarHBondContact O-N 3.01Å; E2-R5 HydrophobicContact CG-CG 4.21Å; E2-R5 PolarHBondContact O-N 2.81Å; E2-R5 IonicContact OE1-CZ 2.75Å; E2-R5 IonicContact OE1-NE 2.68Å; E2-R5 PolarHBondContact OE1-NE 3.18Å; E2-R5 IonicContact OE1-NH2 3.81Å; E2-R5 VanDerWaalsContact OE2-CD 3.24Å; E2-R5 WeakPolarHBondContact OE2-CD 3.37Å; E2-R5 IonicContact OE2-CZ 3.68Å; E2-R5 VanDerWaalsContact OE2-CZ 3.24Å; E2-R5 IonicContact OE2-NE 3.16Å; E2-R5 PolarHBondContact OE2-NE 3.34Å; E2-R5 IonicContact OE2-NH1 3.24Å; E2-R5 IonicContact OE2-NH2 2.73Å; E2-V6 PolarHBondContact O-N 2.75Å
3V82.2Confident87.9Confident9 Ų962.8 Ų62.86%0.05530%0.304CS..Hα-helixtrans-52.1-44.8-169.3175.40000112.8M1 R5 V6 L7 P277M1-V3 PolarHBondContact O-N 3.47Å; V3-R5 PolarHBondContact O-N 3.39Å; V3-V6 PolarHBondContact O-N 2.92Å; V3-L7 HydrophobicContact CG1-CB 3.72Å; V3-L7 HydrophobicContact CG1-CD2 3.67Å; V3-L7 HydrophobicContact CG1-CG 4.35Å; V3-L7 WeakPolarHBondContact O-CB 3.38Å; V3-L7 PolarHBondContact O-N 3.21Å; V3-P277 HydrophobicContact CG1-CG 4.44Å; V3-P277 HydrophobicContact CG2-CB 3.77Å; V3-P277 HydrophobicContact CG2-CG 3.88Å
4M80.9Confident88.4Confident97 Ų9761.1 Ų61.148%0.47831%0.311SS..Hα-helixtrans-58.9-22.8-179-70.4-156.7-59.500114.7E2 L98E2-M4 VanDerWaalsContact C-N 3.31Å; E2-M4 PolarHBondContact O-N 3.01Å; M4-L98 HydrophobicContact CG-CD2 4.18Å
5R81.3Confident88.7Confident172 Ų17268.9 Ų68.965%0.64935%0.346SS*.Hα-helixtrans-92.6-33.9179.8-64.8-168.6-170.8-171.36.8113.2E2 V3E2-R5 HydrophobicContact CG-CG 4.21Å; E2-R5 PolarHBondContact O-N 2.81Å; E2-R5 IonicContact OE1-CZ 2.75Å; E2-R5 IonicContact OE1-NE 2.68Å; E2-R5 PolarHBondContact OE1-NE 3.18Å; E2-R5 IonicContact OE1-NH2 3.81Å; E2-R5 VanDerWaalsContact OE2-CD 3.24Å; E2-R5 WeakPolarHBondContact OE2-CD 3.37Å; E2-R5 IonicContact OE2-CZ 3.68Å; E2-R5 VanDerWaalsContact OE2-CZ 3.24Å; E2-R5 IonicContact OE2-NE 3.16Å; E2-R5 PolarHBondContact OE2-NE 3.34Å; E2-R5 IonicContact OE2-NH1 3.24Å; E2-R5 IonicContact OE2-NH2 2.73Å; V3-R5 PolarHBondContact O-N 3.39Å
6V86.5Confident89.1Confident26 Ų2668.2 Ų68.216%0.15835%0.346CS..Hα-helixtrans-107-22.8-170.2-55.80000113.7M1 E2 V3 H8 P349M1-V6 HydrophobicContact CG-CG2 3.41Å; M1-V6 VanDerWaalsContact CG-CG2 3.41Å; M1-V6 HydrophobicContact SD-CG2 3.64Å; E2-V6 PolarHBondContact O-N 2.75Å; V3-V6 PolarHBondContact O-N 2.92Å; V6-H8 PolarHBondContact O-N 2.95Å; V6-P349 HydrophobicContact CG1-CG 4.25Å
7L92.2Very high89.6Confident13 Ų1364.2 Ų64.27%0.06833%0.326CS..  trans-78.398.3175.8-179.865.4000108.6V3 M9 L98 S100 W164 M346V3-L7 HydrophobicContact CG1-CB 3.72Å; V3-L7 HydrophobicContact CG1-CD2 3.67Å; V3-L7 HydrophobicContact CG1-CG 4.35Å; V3-L7 WeakPolarHBondContact O-CB 3.38Å; V3-L7 PolarHBondContact O-N 3.21Å; L7-M9 HydrophobicContact CD1-CE 4.2Å; L7-L98 HydrophobicContact CB-CD1 3.93Å; L7-L98 HydrophobicContact CD2-CD1 3.99Å; L7-L98 HydrophobicContact CG-CD1 4.08Å; L7-L98 VanDerWaalsContact O-CD1 3.29Å; L7-L98 WeakPolarHBondContact O-CD1 3.23Å; L7-S100 PolarHBondContact O-OG 3.1Å; L7-W164 HydrophobicContact CD1-CD2 3.8Å; L7-W164 HydrophobicContact CD1-CE3 3.76Å; L7-W164 HydrophobicContact CD1-CG 4.28Å; L7-W164 HydrophobicContact CD1-CZ3 4.14Å; L7-W164 HydrophobicContact CD2-CB 3.73Å; L7-W164 HydrophobicContact CD2-CD2 4.21Å; L7-W164 HydrophobicContact CD2-CE3 4.39Å; L7-W164 HydrophobicContact CD2-CG 3.93Å; L7-M346 HydrophobicContact CD1-CE 4.04Å; L7-M346 HydrophobicContact CD1-CG 4.31Å; L7-M346 HydrophobicContact CD1-SD 3.57Å; L7-M346 VanDerWaalsContact CD1-SD 3.57Å
8H93.5Very high90Very high33 Ų3361.6 Ų61.615%0.15331%0.312CS..  trans-152.1161163.362.382.2000108.1V6 P345V6-H8 PolarHBondContact O-N 2.95Å; H8-P345 VanDerWaalsContact CE1-CB 3.42Å; H8-P345 WeakPolarHBondContact CE1-CB 3.49Å; H8-P345 WeakPolarHBondContact O-CB 3.12Å; H8-P345 VanDerWaalsContact O-CG 3.27Å; H8-P345 WeakPolarHBondContact O-CG 3.46Å
9M95.8Very high90.2Very high20 Ų2059 Ų5910%0.09930%0.301CS..PPolyproline II helixtrans-81.1161.2174.4-47.8-64.898.900110.2L7 K11 Y18 S61 V342L7-M9 HydrophobicContact CD1-CE 4.2Å; M9-K11 PolarHBondContact O-N 3.26Å; M9-Y18 VanDerWaalsContact CB-CB 3.48Å; M9-Y18 HydrophobicContact CB-CD1 4.1Å; M9-Y18 HydrophobicContact CB-CD2 3.63Å; M9-Y18 HydrophobicContact CB-CE2 4.39Å; M9-Y18 HydrophobicContact CB-CG 3.46Å; M9-Y18 VanDerWaalsContact CB-CG 3.46Å; M9-Y18 HydrophobicContact CG-CD1 4.15Å; M9-Y18 HydrophobicContact CG-CD2 3.64Å; M9-Y18 HydrophobicContact CG-CE1 4.36Å; M9-Y18 HydrophobicContact CG-CE2 3.89Å; M9-Y18 HydrophobicContact CG-CG 3.78Å; M9-Y18 HydrophobicContact SD-CD2 3.91Å; M9-Y18 HydrophobicContact SD-CE2 3.87Å; M9-S61 WeakPolarHBondContact CG-OG 3.42Å; M9-V342 HydrophobicContact CE-CG1 4.21Å; M9-V342 HydrophobicContact SD-CB 4.01Å; M9-V342 HydrophobicContact SD-CG1 3.85Å; M9-V342 HydrophobicContact SD-CG2 3.91Å
10N96.7Very high90.5Very high19 Ų1963 Ų6310%0.10232%0.316CS..PPolyproline II helixtrans-58.6125.6176-87.3-7000110.9T16 Y18 A341 E344 P345N10-T16 WeakPolarHBondContact CB-O 3.01Å; N10-T16 PolarHBondContact ND2-O 3.21Å; N10-Y18 WeakPolarHBondContact O-CB 3.38Å; N10-Y18 PolarHBondContact O-N 2.99Å; N10-A341 PolarHBondContact N-O 3.5Å; N10-E344 PolarHBondContact ND2-OE2 3.34Å; N10-P345 VanDerWaalsContact OD1-CD 3.3Å; N10-P345 WeakPolarHBondContact OD1-CD 3.41Å; N10-P345 VanDerWaalsContact OD1-CG 3.25Å; N10-P345 WeakPolarHBondContact OD1-CG 3.41Å
11K95.8Very high90.8Very high102 Ų10261 Ų6144%0.44331%0.306SS..PPolyproline II helixtrans-77.2168.3-171.3-57-174177.2179.40112.7M9 S17 S100 D102M9-K11 PolarHBondContact O-N 3.26Å; K11-S17 WeakPolarHBondContact O-CB 3.24Å; K11-S100 WeakPolarHBondContact CE-O 3.46Å; K11-S100 PolarHBondContact NZ-O 3.12Å; K11-D102 HydrophobicContact CB-CB 4.09Å; K11-D102 HydrophobicContact CD-CB 4.26Å; K11-D102 HydrophobicContact CG-CB 4Å
12G93.4Very high91.9Very high23 Ų2356.7 Ų56.724%0.23729%0.285CS..SBendtrans71.1-154.6174.100000114.6S17 A19 D102G12-S17 VanDerWaalsContact O-CB 3.28Å; G12-S17 WeakPolarHBondContact O-CB 3.31Å; G12-S17 PolarHBondContact O-OG 3.3Å; G12-A19 WeakPolarHBondContact O-CB 3.3Å; G12-D102 PolarHBondContact N-OD2 3.46Å
13N92.9Very high92.5Very high112 Ų11256.1 Ų56.160%0.59929%0.289SS*.SBendtrans-129.214.6-172.263.1-1.8000114.3S17 K20 Y105N13-S17 VanDerWaalsContact C-OG 3.3Å; N13-S17 WeakPolarHBondContact CA-OG 3.26Å; N13-K20 WeakPolarHBondContact O-CE 3.42Å; N13-Y105 HydrophobicContact CB-CE2 4.08Å
14G94.2Very high92.9Very high39 Ų3955.8 Ų55.840%0.40229%0.287SS..SBendtrans-68.3173.7177.300000113T16 S17 K20G14-T16 PolarHBondContact O-N 2.71Å; G14-S17 PolarHBondContact N-OG 2.83Å; G14-S17 VanDerWaalsContact O-CB 3.24Å; G14-S17 WeakPolarHBondContact O-CB 3.31Å; G14-S17 PolarHBondContact O-N 3.28Å; G14-S17 PolarHBondContact O-OG 3.13Å; G14-K20 WeakPolarHBondContact O-CG 3.3Å
15E94.2Very high93.6Very high179 Ų17952.4 Ų52.484%0.83627%0.27SS*.THydrogen-bonded Turntrans-60.7-29.9-176.1-66.8-171.7161.200113.8N21E15-N21 PolarHBondContact O-ND2 3.37Å
16T94.6Very high94.2Very high57 Ų5745.6 Ų45.635%0.3525%0.249SC..THydrogen-bonded Turntrans-94.10.817757.70000113.5N10 G14 A341N10-T16 WeakPolarHBondContact CB-O 3.01Å; N10-T16 PolarHBondContact ND2-O 3.21Å; G14-T16 PolarHBondContact O-N 2.71Å; T16-A341 WeakPolarHBondContact O-CB 3.49Å
17S96.8Very high94.5Very high1 Ų147.1 Ų47.11%0.00726%0.256CS..SBendtrans-69.8152.8-17868.50000112.3K11 G12 N13 G14 A19 K20 N21K11-S17 WeakPolarHBondContact O-CB 3.24Å; G12-S17 VanDerWaalsContact O-CB 3.28Å; G12-S17 WeakPolarHBondContact O-CB 3.31Å; G12-S17 PolarHBondContact O-OG 3.3Å; N13-S17 VanDerWaalsContact C-OG 3.3Å; N13-S17 WeakPolarHBondContact CA-OG 3.26Å; G14-S17 PolarHBondContact N-OG 2.83Å; G14-S17 VanDerWaalsContact O-CB 3.24Å; G14-S17 WeakPolarHBondContact O-CB 3.31Å; G14-S17 PolarHBondContact O-N 3.28Å; G14-S17 PolarHBondContact O-OG 3.13Å; S17-A19 PolarHBondContact O-N 3.01Å; S17-K20 PolarHBondContact O-N 3.28Å; S17-K20 PolarHBondContact OG-N 3.49Å; S17-N21 PolarHBondContact O-N 2.93Å; S17-N21 PolarHBondContact O-ND2 2.73Å
18Y96.7Very high94.6Very high17 Ų1746.7 Ų46.77%0.06725%0.253CS..THydrogen-bonded Turntrans-63.3-33172.4-173.3-99.4000112.2M9 N10 K20 N21 S22 Q25 S61 S62 V342M9-Y18 VanDerWaalsContact CB-CB 3.48Å; M9-Y18 HydrophobicContact CB-CD1 4.1Å; M9-Y18 HydrophobicContact CB-CD2 3.63Å; M9-Y18 HydrophobicContact CB-CE2 4.39Å; M9-Y18 HydrophobicContact CB-CG 3.46Å; M9-Y18 VanDerWaalsContact CB-CG 3.46Å; M9-Y18 HydrophobicContact CG-CD1 4.15Å; M9-Y18 HydrophobicContact CG-CD2 3.64Å; M9-Y18 HydrophobicContact CG-CE1 4.36Å; M9-Y18 HydrophobicContact CG-CE2 3.89Å; M9-Y18 HydrophobicContact CG-CG 3.78Å; M9-Y18 HydrophobicContact SD-CD2 3.91Å; M9-Y18 HydrophobicContact SD-CE2 3.87Å; N10-Y18 WeakPolarHBondContact O-CB 3.38Å; N10-Y18 PolarHBondContact O-N 2.99Å; Y18-K20 PolarHBondContact O-N 3.35Å; Y18-N21 PolarHBondContact O-N 3.32Å; Y18-S22 WeakPolarHBondContact O-CB 3.38Å; Y18-S22 PolarHBondContact O-N 3.04Å; Y18-S22 PolarHBondContact O-OG 3.02Å; Y18-Q25 VanDerWaalsContact OH-CG 3.26Å; Y18-Q25 WeakPolarHBondContact OH-CG 3.43Å; Y18-S61 WeakPolarHBondContact CD1-OG 3.22Å; Y18-S61 WeakPolarHBondContact CE1-OG 3.46Å; Y18-S62 WeakPolarHBondContact CD1-O 3.24Å; Y18-V342 HydrophobicContact CD2-CG2 4.06Å; Y18-V342 HydrophobicContact CE2-CG2 3.88Å
19A95.2Very high94.6Very high12 Ų1245.6 Ų45.610%0.09925%0.249CC..THydrogen-bonded Turntrans-58.8-30.5176.100000113.2G12 S17 P64 Y105G12-A19 WeakPolarHBondContact O-CB 3.3Å; S17-A19 PolarHBondContact O-N 3.01Å; A19-P64 WeakPolarHBondContact O-CD 3.4Å; A19-Y105 HydrophobicContact CB-CE2 4.48Å
20K95.5Very high94.5Very high138 Ų13847.8 Ų47.860%0.627%0.266SS*.THydrogen-bonded Turntrans-95.1-16.3178.9-68.3-64.6-173.6179.10114.5N13 G14 S17 Y18N13-K20 WeakPolarHBondContact O-CE 3.42Å; G14-K20 WeakPolarHBondContact O-CG 3.3Å; S17-K20 PolarHBondContact O-N 3.28Å; S17-K20 PolarHBondContact OG-N 3.49Å; Y18-K20 PolarHBondContact O-N 3.35Å
21N96Very high94.3Very high22 Ų2249.1 Ų49.112%0.11827%0.273CS..SBendtrans-12527.6-171-59.4-79.5000113.6E15 S17 Y18 N337 T338 A341E15-N21 PolarHBondContact O-ND2 3.37Å; S17-N21 PolarHBondContact O-N 2.93Å; S17-N21 PolarHBondContact O-ND2 2.73Å; Y18-N21 PolarHBondContact O-N 3.32Å; N21-N337 WeakPolarHBondContact OD1-CB 3.42Å; N21-T338 WeakPolarHBondContact O-CG2 3.48Å; N21-T338 PolarHBondContact O-OG1 2.71Å; N21-A341 HydrophobicContact CB-CB 3.91Å
22S94.7Very high94.2Very high4 Ų444.4 Ų44.43%0.02825%0.253CS..  trans-11027-176.553.20000114.5Y18 A24 Q25 S26 N65Y18-S22 WeakPolarHBondContact O-CB 3.38Å; Y18-S22 PolarHBondContact O-N 3.04Å; Y18-S22 PolarHBondContact O-OG 3.02Å; S22-A24 VanDerWaalsContact C-N 3.31Å; S22-A24 PolarHBondContact O-N 3.18Å; S22-Q25 VanDerWaalsContact CA-OE1 3.25Å; S22-Q25 PolarHBondContact O-N 3.49Å; S22-Q25 PolarHBondContact O-OE1 3.12Å; S22-S26 PolarHBondContact O-N 2.98Å; S22-N65 WeakPolarHBondContact CB-ND2 3.39Å; S22-N65 PolarHBondContact O-ND2 2.59Å; S22-N65 PolarHBondContact OG-ND2 2.8Å
23T92.9Very high94.3Very high84 Ų8446.3 Ų46.352%0.51525%0.253SS..Hα-helixtrans-59.1-40.9178.5-55.40000112.1Q25 S26 N27T23-Q25 VanDerWaalsContact C-N 3.31Å; T23-Q25 PolarHBondContact O-N 3.45Å; T23-S26 WeakPolarHBondContact O-CB 3.5Å; T23-S26 PolarHBondContact O-N 2.94Å; T23-N27 PolarHBondContact O-N 3.43Å; T23-N27 PolarHBondContact O-ND2 2.89Å
24A91.8Very high94.4Very high2 Ų245.9 Ų45.92%0.01724%0.243CC..Hα-helixtrans-59.8-43.1178.100000111.8S22 N27 I28S22-A24 VanDerWaalsContact C-N 3.31Å; S22-A24 PolarHBondContact O-N 3.18Å; A24-N27 PolarHBondContact O-N 2.91Å; A24-I28 WeakPolarHBondContact O-CG1 3.5Å; A24-I28 PolarHBondContact O-N 3.08Å
25Q94.6Very high94.6Very high26 Ų2644 Ų4412%0.12122%0.224CC..Hα-helixtrans-70-34.2178.3-6483.7-4.700112Y18 S22 T23 N27 I28 I29Y18-Q25 VanDerWaalsContact OH-CG 3.26Å; Y18-Q25 WeakPolarHBondContact OH-CG 3.43Å; S22-Q25 VanDerWaalsContact CA-OE1 3.25Å; S22-Q25 PolarHBondContact O-N 3.49Å; S22-Q25 PolarHBondContact O-OE1 3.12Å; T23-Q25 VanDerWaalsContact C-N 3.31Å; T23-Q25 PolarHBondContact O-N 3.45Å; Q25-N27 VanDerWaalsContact C-N 3.28Å; Q25-N27 PolarHBondContact O-N 2.82Å; Q25-I28 PolarHBondContact O-N 2.96Å; Q25-I29 WeakPolarHBondContact O-CG1 3.44Å; Q25-I29 PolarHBondContact O-N 3.26Å
26S94.1Very high94.8Very high29 Ų2935.7 Ų35.720%0.20319%0.185CC..Hα-helixtrans-59.5-40.5171.3-165.30000111.8S22 T23 I29 S30 N65 L68S22-S26 PolarHBondContact O-N 2.98Å; T23-S26 WeakPolarHBondContact O-CB 3.5Å; T23-S26 PolarHBondContact O-N 2.94Å; S26-I29 PolarHBondContact O-N 3Å; S26-S30 PolarHBondContact O-N 2.98Å; S26-S30 PolarHBondContact O-OG 3.25Å; S26-N65 WeakPolarHBondContact CB-OD1 3.04Å; S26-N65 PolarHBondContact N-ND2 3.5Å; S26-N65 PolarHBondContact OG-OD1 2.93Å; S26-L68 WeakPolarHBondContact OG-CD2 3.45Å
27N92.9Very high94.9Very high57 Ų5735.3 Ų35.331%0.30518%0.181SC..Hα-helixtrans-74.4-31177.4-67.1-25.8000112.5T23 A24 Q25 S30 L31 I306 G310T23-N27 PolarHBondContact O-N 3.43Å; T23-N27 PolarHBondContact O-ND2 2.89Å; A24-N27 PolarHBondContact O-N 2.91Å; Q25-N27 VanDerWaalsContact C-N 3.28Å; Q25-N27 PolarHBondContact O-N 2.82Å; N27-S30 WeakPolarHBondContact O-CB 3.19Å; N27-S30 PolarHBondContact O-N 3.41Å; N27-L31 WeakPolarHBondContact O-CB 3.39Å; N27-L31 PolarHBondContact O-N 3.06Å; N27-I306 HydrophobicContact CB-CD1 3.72Å; N27-G310 WeakPolarHBondContact CB-O 3.5Å; N27-G310 VanDerWaalsContact CG-O 3.28Å; N27-G310 PolarHBondContact ND2-O 3.44Å
28I93.8Very high94.9Very high4 Ų438.4 Ų38.42%0.02120%0.196CC..Hα-helixtrans-62.1-45.1169.6-67.9167.2000110.9A24 Q25 S30 L31 G32 S159 S160 I306 I380A24-I28 WeakPolarHBondContact O-CG1 3.5Å; A24-I28 PolarHBondContact O-N 3.08Å; Q25-I28 PolarHBondContact O-N 2.96Å; I28-S30 VanDerWaalsContact C-N 3.27Å; I28-S30 PolarHBondContact O-N 3.14Å; I28-L31 WeakPolarHBondContact O-CB 3.49Å; I28-L31 PolarHBondContact O-N 2.68Å; I28-G32 PolarHBondContact O-N 2.71Å; I28-G32 VanDerWaalsContact O-N 3.09Å; I28-S159 WeakPolarHBondContact CG2-OG 3.4Å; I28-S160 WeakPolarHBondContact CD1-OG 3.28Å; I28-I306 HydrophobicContact CG1-CD1 4.18Å; I28-I380 HydrophobicContact CD1-CD1 3.65Å; I28-I380 HydrophobicContact CD1-CG1 4.44Å; I28-I380 HydrophobicContact CG1-CD1 3.85Å; I28-I380 HydrophobicContact CG1-CG1 4.09Å; I28-I380 HydrophobicContact CG1-CG2 4.48Å; I28-I380 HydrophobicContact CG2-CG2 3.86Å
29I94.5Very high95Very high11 Ų1137.6 Ų37.66%0.05619%0.193CC..Hα-helixtrans-57.8-44.3174.3-67.6162.4000110.1Q25 S26 L31 G32 R33 N65 L68 S69Q25-I29 WeakPolarHBondContact O-CG1 3.44Å; Q25-I29 PolarHBondContact O-N 3.26Å; S26-I29 PolarHBondContact O-N 3Å; I29-L31 PolarHBondContact O-N 2.73Å; I29-G32 PolarHBondContact O-N 3.39Å; I29-R33 PolarHBondContact O-N 2.86Å; I29-N65 HydrophobicContact CD1-CB 4.02Å; I29-L68 HydrophobicContact CD1-CD2 4.41Å; I29-L68 HydrophobicContact CG2-CD2 4.4Å; I29-L68 HydrophobicContact CG2-CG 4.43Å; I29-S69 WeakPolarHBondContact CD1-OG 3.37Å
30S93.6Very high95Very high65 Ų6537 Ų3746%0.45519%0.188SC..Hα-helixtrans-64.5-38.4179.3-59.20000112.5S26 N27 I28 G32 R33S26-S30 PolarHBondContact O-N 2.98Å; S26-S30 PolarHBondContact O-OG 3.25Å; N27-S30 WeakPolarHBondContact O-CB 3.19Å; N27-S30 PolarHBondContact O-N 3.41Å; I28-S30 VanDerWaalsContact C-N 3.27Å; I28-S30 PolarHBondContact O-N 3.14Å; S30-G32 VanDerWaalsContact C-N 3.35Å; S30-R33 WeakPolarHBondContact O-CB 3.2Å; S30-R33 PolarHBondContact O-N 3.44Å
31L92.4Very high95Very high47 Ų4735.8 Ų35.825%0.24618%0.182CC..Hα-helixtrans-64.4-40.3177.4-166.764.6000111.7N27 I28 I29 R33 I380 I382N27-L31 WeakPolarHBondContact O-CB 3.39Å; N27-L31 PolarHBondContact O-N 3.06Å; I28-L31 WeakPolarHBondContact O-CB 3.49Å; I28-L31 PolarHBondContact O-N 2.68Å; I29-L31 PolarHBondContact O-N 2.73Å; L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 3.31Å; L31-I380 HydrophobicContact CD2-CB 4.21Å; L31-I380 HydrophobicContact CD2-CG1 4.46Å; L31-I380 HydrophobicContact CD2-CG2 4.33Å; L31-I382 HydrophobicContact CB-CD1 4.38Å; L31-I382 HydrophobicContact CD2-CD1 4.16Å; L31-I382 HydrophobicContact CG-CD1 3.81Å
32G93.6Very high95Very high4 Ų438.5 Ų38.54%0.04119%0.193CC..Hα-helixtrans-73.4-10.8175.300000114.8I28 I29 S30 R34 V35 M36I28-G32 PolarHBondContact O-N 2.71Å; I28-G32 VanDerWaalsContact O-N 3.09Å; I29-G32 PolarHBondContact O-N 3.39Å; S30-G32 VanDerWaalsContact C-N 3.35Å; G32-R34 PolarHBondContact O-N 3.4Å; G32-V35 PolarHBondContact O-N 3.08Å; G32-V35 VanDerWaalsContact O-N 3.16Å; G32-M36 PolarHBondContact O-N 2.91Å
33R94.9Very high95Very high62 Ų6238.5 Ų38.523%0.23419%0.193CC..Hα-helixtrans-56.2-46-170.6-179.558.3-174.2-97.614.8112.9I29 S30 L31 V35 M36 D37 N72 T76I29-R33 PolarHBondContact O-N 2.86Å; S30-R33 WeakPolarHBondContact O-CB 3.2Å; S30-R33 PolarHBondContact O-N 3.44Å; L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 3.31Å; R33-V35 VanDerWaalsContact C-N 3.34Å; R33-V35 PolarHBondContact O-N 2.99Å; R33-M36 WeakPolarHBondContact O-CB 3.39Å; R33-M36 PolarHBondContact O-N 3.24Å; R33-D37 IonicContact CZ-OD1 3.88Å; R33-D37 IonicContact NE-OD1 2.97Å; R33-D37 PolarHBondContact NE-OD1 3.36Å; R33-D37 IonicContact NE-OD2 3.14Å; R33-D37 PolarHBondContact NE-OD2 3.41Å; R33-D37 VanDerWaalsContact NE-OD2 3.14Å; R33-D37 IonicContact NH2-OD1 3.91Å; R33-D37 VanDerWaalsContact O-CG 3.28Å; R33-D37 PolarHBondContact O-N 2.59Å; R33-N72 PolarHBondContact NH1-OD1 3.46Å; R33-N72 PolarHBondContact NH2-O 3.42Å; R33-N72 VanDerWaalsContact NH2-O 3.11Å; R33-T76 PolarHBondContact NH2-OG1 2.74Å
34R96.2Very high95Very high103 Ų10335 Ų3539%0.38917%0.17SC..Hα-helixtrans-61.2-43.4-178.8-173-175.254.461.511.3111.8G32 M36 D37 E38 R300 E302G32-R34 PolarHBondContact O-N 3.4Å; R34-M36 VanDerWaalsContact C-N 3.35Å; R34-D37 PolarHBondContact O-N 3.02Å; R34-E38 IonicContact CZ-OE1 3.72Å; R34-E38 IonicContact NH1-OE1 2.63Å; R34-E38 PolarHBondContact NH1-OE1 3.41Å; R34-E38 IonicContact NH1-OE2 2.76Å; R34-E38 PolarHBondContact NH1-OE2 3.03Å; R34-E38 WeakPolarHBondContact O-CG 3.38Å; R34-E38 PolarHBondContact O-N 2.86Å; R34-R300 VanDerWaalsContact NH2-CZ 3.26Å; R34-E302 IonicContact NH2-OE1 3.65Å; R34-E302 PolarHBondContact NH2-OE1 3.17Å; R34-E302 IonicContact NH2-OE2 3.93Å; R34-E302 PolarHBondContact NH2-OE2 3.2Å; R34-E302 VanDerWaalsContact NH2-OE2 3.15Å
35V97.5Very high95Very high1 Ų140.1 Ų40.11%0.00620%0.196CC..Hα-helixtrans-67.5-38.9178.6-179.70000110.9G32 R33 A39 V230 R300 E302 I382G32-V35 PolarHBondContact O-N 3.08Å; G32-V35 VanDerWaalsContact O-N 3.16Å; R33-V35 VanDerWaalsContact C-N 3.34Å; R33-V35 PolarHBondContact O-N 2.99Å; V35-A39 WeakPolarHBondContact O-CB 3.47Å; V35-A39 PolarHBondContact O-N 3.2Å; V35-V230 HydrophobicContact CG1-CG1 4.35Å; V35-R300 HydrophobicContact CG1-CB 4.48Å; V35-E302 VanDerWaalsContact CG2-OE1 3.23Å; V35-E302 WeakPolarHBondContact CG2-OE1 3.4Å; V35-I382 HydrophobicContact CB-CG2 3.89Å; V35-I382 HydrophobicContact CG1-CG2 4.08Å; V35-I382 HydrophobicContact CG2-CG2 3.76Å
36M97.8Very high94.6Very high3 Ų342.7 Ų42.72%0.01522%0.217CC..Hα-helixtrans-60.5-47.2173.7-175.1-175.87400112.2G32 R33 R34 E38 A39 L40 N72 I73 F155 V230G32-M36 PolarHBondContact O-N 2.91Å; R33-M36 WeakPolarHBondContact O-CB 3.39Å; R33-M36 PolarHBondContact O-N 3.24Å; R34-M36 VanDerWaalsContact C-N 3.35Å; M36-E38 PolarHBondContact O-N 3.4Å; M36-A39 PolarHBondContact O-N 3.32Å; M36-L40 HydrophobicContact CG-CD1 4.03Å; M36-L40 WeakPolarHBondContact O-CB 3.28Å; M36-L40 WeakPolarHBondContact O-CG 3.41Å; M36-L40 PolarHBondContact O-N 3.2Å; M36-N72 HydrophobicContact CE-CB 3.52Å; M36-I73 HydrophobicContact CE-CG1 4.16Å; M36-I73 HydrophobicContact CG-CG1 4.37Å; M36-I73 HydrophobicContact SD-CD1 4.22Å; M36-I73 HydrophobicContact SD-CG1 3.49Å; M36-I73 WeakPolarHBondContact SD-CG1 3.48Å; M36-F155 HydrophobicContact CG-CE1 4.11Å; M36-F155 HydrophobicContact CG-CZ 3.85Å; M36-V230 HydrophobicContact CB-CG1 4.32Å
37D97.4Very high93.7Very high49 Ų4944.6 Ų44.626%0.26222%0.224SC..Hα-helixtrans-64.9-41.9-179.9-66-19.1000111.8R33 R34 A39 L40 K41 T76R33-D37 IonicContact CZ-OD1 3.88Å; R33-D37 IonicContact NE-OD1 2.97Å; R33-D37 PolarHBondContact NE-OD1 3.36Å; R33-D37 IonicContact NE-OD2 3.14Å; R33-D37 PolarHBondContact NE-OD2 3.41Å; R33-D37 VanDerWaalsContact NE-OD2 3.14Å; R33-D37 IonicContact NH2-OD1 3.91Å; R33-D37 VanDerWaalsContact O-CG 3.28Å; R33-D37 PolarHBondContact O-N 2.59Å; R34-D37 PolarHBondContact O-N 3.02Å; D37-A39 PolarHBondContact O-N 3.44Å; D37-L40 PolarHBondContact O-N 3.22Å; D37-K41 WeakPolarHBondContact O-CB 3.26Å; D37-K41 PolarHBondContact O-N 3.47Å; D37-T76 HydrophobicContact CB-CG2 4.17Å; D37-T76 WeakPolarHBondContact OD1-CG2 3.49Å; D37-T76 PolarHBondContact OD1-OG1 2.81Å
38E97.3Very high92.7Very high67 Ų6745.7 Ų45.731%0.31324%0.237SC..Hα-helixtrans-59.6-44.1172.9-75.3171.1-164.700111.7R34 M36 K41 K42 R300R34-E38 IonicContact CZ-OE1 3.72Å; R34-E38 IonicContact NH1-OE1 2.63Å; R34-E38 PolarHBondContact NH1-OE1 3.41Å; R34-E38 IonicContact NH1-OE2 2.76Å; R34-E38 PolarHBondContact NH1-OE2 3.03Å; R34-E38 WeakPolarHBondContact O-CG 3.38Å; R34-E38 PolarHBondContact O-N 2.86Å; M36-E38 PolarHBondContact O-N 3.4Å; E38-K41 PolarHBondContact O-N 3.21Å; E38-K42 WeakPolarHBondContact O-CG 3.44Å; E38-K42 PolarHBondContact O-N 2.99Å; E38-R300 IonicContact OE1-NH1 2.73Å; E38-R300 IonicContact OE2-NH1 2.77Å; E38-R300 PolarHBondContact OE2-NH1 2.88Å
39A97.7Very high91.8Very high0 Ų053.6 Ų53.60%027%0.273CS..Hα-helixtrans-66.2-45.6179.200000111.7V35 M36 D37 K41 K42 L43 F155 R228 V230V35-A39 WeakPolarHBondContact O-CB 3.47Å; V35-A39 PolarHBondContact O-N 3.2Å; M36-A39 PolarHBondContact O-N 3.32Å; D37-A39 PolarHBondContact O-N 3.44Å; A39-K41 PolarHBondContact O-N 2.84Å; A39-K42 PolarHBondContact O-N 2.96Å; A39-L43 WeakPolarHBondContact O-CB 3.21Å; A39-L43 PolarHBondContact O-N 3.03Å; A39-F155 HydrophobicContact CB-CE2 3.98Å; A39-R228 WeakPolarHBondContact O-CD 3.43Å; A39-V230 HydrophobicContact CB-CG2 3.61Å
40L96.4Very high91.2Very high0 Ų054.4 Ų54.40%028%0.278CS..Hα-helixtrans-61.7-43.3176.1-74.8168.7000111.5M36 D37 K42 L43 M44 I73 T76 I77 F155M36-L40 HydrophobicContact CG-CD1 4.03Å; M36-L40 WeakPolarHBondContact O-CB 3.28Å; M36-L40 WeakPolarHBondContact O-CG 3.41Å; M36-L40 PolarHBondContact O-N 3.2Å; D37-L40 PolarHBondContact O-N 3.22Å; L40-K42 PolarHBondContact O-N 2.88Å; L40-L43 WeakPolarHBondContact O-CB 3.48Å; L40-L43 PolarHBondContact O-N 3.11Å; L40-M44 VanDerWaalsContact O-CG 3.28Å; L40-M44 WeakPolarHBondContact O-CG 3.46Å; L40-M44 PolarHBondContact O-N 3Å; L40-I73 HydrophobicContact CD1-CB 4.27Å; L40-I73 HydrophobicContact CD1-CG1 4.26Å; L40-I73 HydrophobicContact CD1-CG2 3.99Å; L40-I73 HydrophobicContact CD2-CG2 4.1Å; L40-T76 HydrophobicContact CB-CG2 4.05Å; L40-T76 HydrophobicContact CD1-CG2 3.8Å; L40-I77 HydrophobicContact CD2-CD1 4.25Å; L40-I77 HydrophobicContact CD2-CG1 4.23Å; L40-F155 HydrophobicContact CD2-CB 4.36Å; L40-F155 HydrophobicContact CD2-CD1 3.97Å; L40-F155 HydrophobicContact CD2-CD2 3.68Å; L40-F155 HydrophobicContact CD2-CE1 4.14Å; L40-F155 HydrophobicContact CD2-CE2 3.88Å; L40-F155 HydrophobicContact CD2-CG 3.73Å; L40-F155 HydrophobicContact CD2-CZ 4.11Å; L40-F155 HydrophobicContact CG-CD2 4.29Å; L40-F155 HydrophobicContact CG-CE1 4.35Å; L40-F155 HydrophobicContact CG-CE2 3.97Å; L40-F155 HydrophobicContact CG-CZ 4.01Å
41K95.5Very high90.9Very high112 Ų11256 Ų5649%0.48729%0.288SS..Hα-helixtrans-57.4-49175.1-177.4171-176.9169.70111.7D37 E38 A39 L43 M44 M45 L80D37-K41 WeakPolarHBondContact O-CB 3.26Å; D37-K41 PolarHBondContact O-N 3.47Å; E38-K41 PolarHBondContact O-N 3.21Å; A39-K41 PolarHBondContact O-N 2.84Å; K41-L43 VanDerWaalsContact C-N 3.33Å; K41-L43 PolarHBondContact O-N 3.13Å; K41-M44 PolarHBondContact O-N 3.47Å; K41-M45 HydrophobicContact CG-SD 4.01Å; K41-M45 WeakPolarHBondContact O-CB 3.36Å; K41-M45 VanDerWaalsContact O-CG 3.28Å; K41-M45 WeakPolarHBondContact O-CG 3.41Å; K41-M45 PolarHBondContact O-N 3.47Å; K41-L80 HydrophobicContact CB-CD1 4.1Å; K41-L80 HydrophobicContact CB-CD2 4.15Å; K41-L80 HydrophobicContact CD-CD2 4.22Å; K41-L80 HydrophobicContact CG-CD2 3.96Å
42K95.6Very high91Very high79 Ų7954.8 Ų54.834%0.34328%0.284SS..Hα-helixtrans-62.8-38.8177.4-70173.6-177.5176.20112.2E38 A39 L40 S46 R228 D299E38-K42 WeakPolarHBondContact O-CG 3.44Å; E38-K42 PolarHBondContact O-N 2.99Å; A39-K42 PolarHBondContact O-N 2.96Å; L40-K42 PolarHBondContact O-N 2.88Å; K42-S46 WeakPolarHBondContact O-CB 3.17Å; K42-S46 PolarHBondContact O-N 3.47Å; K42-S46 VanDerWaalsContact O-N 3.14Å; K42-S46 PolarHBondContact O-OG 3.31Å; K42-R228 VanDerWaalsContact CB-CZ 3.44Å; K42-D299 IonicContact NZ-OD1 2.75Å; K42-D299 PolarHBondContact NZ-OD1 3.5Å; K42-D299 IonicContact NZ-OD2 3.45Å; K42-D299 PolarHBondContact NZ-OD2 2.69Å
43L95.1Very high91.1Very high4 Ų454.6 Ų54.62%0.02128%0.282CS..Hα-helixtrans-59.6-53.4175178.766.8000110.6A39 L40 K41 M45 S46 H154 F155A39-L43 WeakPolarHBondContact O-CB 3.21Å; A39-L43 PolarHBondContact O-N 3.03Å; L40-L43 WeakPolarHBondContact O-CB 3.48Å; L40-L43 PolarHBondContact O-N 3.11Å; K41-L43 VanDerWaalsContact C-N 3.33Å; K41-L43 PolarHBondContact O-N 3.13Å; L43-M45 VanDerWaalsContact C-N 3.32Å; L43-M45 PolarHBondContact O-N 2.66Å; L43-S46 PolarHBondContact O-N 3.17Å; L43-S46 VanDerWaalsContact O-N 3.17Å; L43-S46 PolarHBondContact O-OG 3.45Å; L43-H154 HydrophobicContact CD2-CB 4.14Å; L43-F155 HydrophobicContact CD2-CB 4.03Å; L43-F155 HydrophobicContact CD2-CD2 4.22Å
44M92.7Very high91.2Very high9 Ų951.6 Ų51.64%0.04427%0.271CS..Hα-helixtrans-60.9-39.5-179.3-66.4-62.2-73.100112.1L40 K41 S46 I53 I77 L80 L84 R86L40-M44 VanDerWaalsContact O-CG 3.28Å; L40-M44 WeakPolarHBondContact O-CG 3.46Å; L40-M44 PolarHBondContact O-N 3Å; K41-M44 PolarHBondContact O-N 3.47Å; M44-S46 VanDerWaalsContact C-N 3.34Å; M44-S46 PolarHBondContact O-N 2.95Å; M44-I53 HydrophobicContact CE-CD1 4.27Å; M44-I53 HydrophobicContact SD-CD1 3.46Å; M44-I53 WeakPolarHBondContact SD-CD1 3.11Å; M44-I77 HydrophobicContact CE-CG2 4.1Å; M44-I77 HydrophobicContact SD-CG2 4.38Å; M44-L80 HydrophobicContact CG-CD1 4.22Å; M44-L84 HydrophobicContact CB-CD1 3.71Å; M44-R86 PolarHBondContact O-NH1 3.35Å
45M91.1Very high91.3Very high111 Ų11146.8 Ų46.855%0.54725%0.252SS..Hα-helixtrans-67.4-34.1177.9-71.8178.672.400113K41 L43 N47 L84K41-M45 HydrophobicContact CG-SD 4.01Å; K41-M45 WeakPolarHBondContact O-CB 3.36Å; K41-M45 VanDerWaalsContact O-CG 3.28Å; K41-M45 WeakPolarHBondContact O-CG 3.41Å; K41-M45 PolarHBondContact O-N 3.47Å; L43-M45 VanDerWaalsContact C-N 3.32Å; L43-M45 PolarHBondContact O-N 2.66Å; M45-N47 VanDerWaalsContact C-N 3.33Å; M45-N47 PolarHBondContact O-N 2.97Å; M45-L84 HydrophobicContact CG-CD2 4.15Å
46S86.4Confident91.3Very high80 Ų8046.7 Ų46.756%0.55925%0.252SS*.Hα-helixtrans-73.9-19.5-172.968.10000114.9K42 L43 M44K42-S46 WeakPolarHBondContact O-CB 3.17Å; K42-S46 PolarHBondContact O-N 3.47Å; K42-S46 VanDerWaalsContact O-N 3.14Å; K42-S46 PolarHBondContact O-OG 3.31Å; L43-S46 PolarHBondContact O-N 3.17Å; L43-S46 VanDerWaalsContact O-N 3.17Å; L43-S46 PolarHBondContact O-OG 3.45Å; M44-S46 VanDerWaalsContact C-N 3.34Å; M44-S46 PolarHBondContact O-N 2.95Å
47N76.3Confident91.3Very high69 Ų6946.8 Ų46.837%0.36925%0.253SS..  trans-138.7103.1-172.3-165.8-9.8000110.6M45 E49 I50 R86M45-N47 VanDerWaalsContact C-N 3.33Å; M45-N47 PolarHBondContact O-N 2.97Å; N47-E49 VanDerWaalsContact C-N 3.34Å; N47-E49 PolarHBondContact O-N 2.73Å; N47-I50 HydrophobicContact CB-CD1 3.55Å; N47-I50 HydrophobicContact CB-CG1 3.72Å; N47-I50 WeakPolarHBondContact ND2-CG1 3.46Å; N47-R86 PolarHBondContact O-NH1 2.77Å; N47-R86 VanDerWaalsContact O-NH1 3.12Å
48S69.9Low91.4Very high80 Ų8044.4 Ų44.456%0.55924%0.24SC*.THydrogen-bonded Turntrans-75.6-16.5-170.549.50000115.5R86S48-R86 VanDerWaalsContact CA-CZ 3.49Å
49E76.2Confident91.4Very high169 Ų16942 Ų4279%0.7923%0.232SC*.THydrogen-bonded Turntrans-114.719.7-170.1-60.2-16916400113.4N47 S51N47-E49 VanDerWaalsContact C-N 3.34Å; N47-E49 PolarHBondContact O-N 2.73Å; E49-S51 PolarHBondContact O-N 3.36Å
50I82Confident91.4Very high29 Ų2942.3 Ų42.315%0.14924%0.235CC..  trans-71.7106179.8-55.8170.8000110.1N47 S52 I53N47-I50 HydrophobicContact CB-CD1 3.55Å; N47-I50 HydrophobicContact CB-CG1 3.72Å; N47-I50 WeakPolarHBondContact ND2-CG1 3.46Å; I50-S52 VanDerWaalsContact CG2-C 3.49Å; I50-S52 WeakPolarHBondContact CG2-O 3.35Å; I50-I53 HydrophobicContact CG2-CD1 4.49Å; I50-I53 HydrophobicContact CG2-CG1 3.54Å
51S87.7Confident91.3Very high97 Ų9742.7 Ų42.768%0.67824%0.237SC*.SBendtrans-84.7-22.6170.357.80000113.3E49 P89 E90E49-S51 PolarHBondContact O-N 3.36Å; S51-P89 WeakPolarHBondContact O-CA 3.18Å; S51-P89 WeakPolarHBondContact O-CB 3.5Å; S51-E90 PolarHBondContact O-N 2.96Å
52S93.1Very high91.2Very high22 Ų2237.3 Ų37.315%0.15421%0.214CC..EExtended strand (participates in β ladder)trans-141.5131.1176.3178.30000112.6I50 E90 R92 H154I50-S52 VanDerWaalsContact CG2-C 3.49Å; I50-S52 WeakPolarHBondContact CG2-O 3.35Å; S52-E90 CarbonylContact C-O 3.43Å; S52-E90 WeakPolarHBondContact CA-O 3.28Å; S52-E90 PolarHBondContact OG-O 3.11Å; S52-R92 PolarHBondContact OG-NE 2.96Å; S52-H154 PolarHBondContact O-CE1 3.48Å; S52-H154 VanDerWaalsContact O-CE1 3.3Å
53I95.3Very high91Very high0 Ų033.7 Ų33.70%020%0.199CC..EExtended strand (participates in β ladder)trans-109119178.5-58.8178.3000109.2M44 I50 I55 I77 P89 E90 L91 R92 H154M44-I53 HydrophobicContact CE-CD1 4.27Å; M44-I53 HydrophobicContact SD-CD1 3.46Å; M44-I53 WeakPolarHBondContact SD-CD1 3.11Å; I50-I53 HydrophobicContact CG2-CD1 4.49Å; I50-I53 HydrophobicContact CG2-CG1 3.54Å; I53-I55 HydrophobicContact CG2-CD1 4.2Å; I53-I55 HydrophobicContact CG2-CG1 3.76Å; I53-I77 HydrophobicContact CD1-CD1 4.14Å; I53-I77 HydrophobicContact CD1-CG2 4.29Å; I53-P89 HydrophobicContact CD1-CB 4.28Å; I53-P89 HydrophobicContact CD1-CG 3.44Å; I53-P89 VanDerWaalsContact CD1-CG 3.44Å; I53-P89 HydrophobicContact CG1-CB 4.1Å; I53-P89 HydrophobicContact CG1-CG 3.8Å; I53-E90 PolarHBondContact N-O 3.12Å; I53-L91 HydrophobicContact CB-CD2 4Å; I53-L91 HydrophobicContact CD1-CD2 4.22Å; I53-L91 HydrophobicContact CG1-CD2 4.43Å; I53-R92 PolarHBondContact O-N 3.42Å; I53-H154 HydrophobicContact CG2-CB 3.87Å
54G97.2Very high90.7Very high0 Ų037.1 Ų37.10%022%0.222CC..EExtended strand (participates in β ladder)trans-82.7120.8167.900000110.9H154 F155G54-H154 PolarHBondContact N-ND1 3.04Å; G54-H154 PolarHBondContact O-N 3.33Å; G54-F155 PolarHBondContact O-N 2.94Å; G54-F155 VanDerWaalsContact O-N 3.12Å
55I98.3Very high90.8Very high1 Ų137.2 Ų37.21%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-120.5133.6-179.6-59.3161.3000107.9I53 I70 I73 I77 L91 R92 V93 S94 F155I53-I55 HydrophobicContact CG2-CD1 4.2Å; I53-I55 HydrophobicContact CG2-CG1 3.76Å; I55-I70 HydrophobicContact CG2-CD1 4.42Å; I55-I73 HydrophobicContact CD1-CG2 3.72Å; I55-I73 HydrophobicContact CG1-CG2 4.37Å; I55-I73 HydrophobicContact CG2-CD1 3.99Å; I55-I73 HydrophobicContact CG2-CG2 4.25Å; I55-I77 HydrophobicContact CD1-CD1 3.89Å; I55-L91 HydrophobicContact CD1-CB 4.34Å; I55-L91 HydrophobicContact CD1-CD2 4.26Å; I55-R92 PolarHBondContact N-O 3.04Å; I55-V93 HydrophobicContact CB-CG2 4.35Å; I55-V93 HydrophobicContact CD1-CG2 4.26Å; I55-V93 CarbonylContact O-C 3.57Å; I55-V93 WeakPolarHBondContact O-CA 3.47Å; I55-S94 PolarHBondContact O-N 3.38Å; I55-F155 WeakPolarHBondContact CA-O 3.38Å; I55-F155 HydrophobicContact CG1-CB 4.46Å
56A98.6Very high90.8Very high0 Ų032 Ų320%020%0.197CC..EExtended strand (participates in β ladder)trans-125.2135.5170.600000111L58 S94 F148 L153 F155 V156 H157A56-L58 HydrophobicContact CB-CD2 3.86Å; A56-S94 CarbonylContact C-O 3.56Å; A56-S94 VanDerWaalsContact CA-O 3.28Å; A56-S94 WeakPolarHBondContact CA-O 3.4Å; A56-F148 HydrophobicContact CB-CE1 4.39Å; A56-F148 HydrophobicContact CB-CE2 3.95Å; A56-F148 HydrophobicContact CB-CZ 3.65Å; A56-L153 HydrophobicContact CB-CD1 3.81Å; A56-L153 HydrophobicContact CB-CD2 4.08Å; A56-F155 PolarHBondContact N-O 3.35Å; A56-V156 HydrophobicContact CB-CG2 4.44Å; A56-V156 CarbonylContact O-C 3.58Å; A56-V156 WeakPolarHBondContact O-CA 3.3Å; A56-H157 PolarHBondContact O-N 2.86Å
57D98.5Very high91.1Very high4 Ų429 Ų292%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-106113.9165.8-173.730.7000108.6C60 I70 S94 L95 N96 H157D57-C60 HydrophobicContact CB-CB 4.49Å; D57-C60 WeakPolarHBondContact OD2-CB 3.33Å; D57-I70 HydrophobicContact CB-CD1 3.84Å; D57-S94 PolarHBondContact N-O 2.93Å; D57-L95 HydrophobicContact CB-CD2 4.05Å; D57-N96 PolarHBondContact O-N 3.16Å; D57-H157 WeakPolarHBondContact CA-O 3.27Å; D57-H157 IonicContact OD1-CE1 3.44Å; D57-H157 IonicContact OD1-CG 3.26Å; D57-H157 IonicContact OD1-ND1 2.73Å; D57-H157 PolarHBondContact OD1-ND1 2.92Å
58L98.6Very high92Very high0 Ų027.8 Ų27.80%017%0.168CC..EExtended strand (participates in β ladder)trans-101.9112.4-172.1-48.3-179.6000111A56 N96 F143 L147 F148 V156 H157 S158 S161 F215 R219A56-L58 HydrophobicContact CB-CD2 3.86Å; L58-N96 HydrophobicContact CD2-CB 3.75Å; L58-F143 HydrophobicContact CB-CB 4.44Å; L58-F143 HydrophobicContact CB-CD1 3.9Å; L58-L147 HydrophobicContact CD2-CD1 4.15Å; L58-F148 HydrophobicContact CD2-CE2 3.93Å; L58-F148 HydrophobicContact CD2-CZ 4.26Å; L58-V156 HydrophobicContact CD1-CG1 3.52Å; L58-V156 HydrophobicContact CG-CG1 3.9Å; L58-H157 PolarHBondContact N-O 3.09Å; L58-S158 PolarHBondContact O-OG 3.15Å; L58-S158 VanDerWaalsContact O-OG 3.07Å; L58-S161 PolarHBondContact O-OG 2.99Å; L58-F215 HydrophobicContact CD1-CE2 3.71Å; L58-F215 HydrophobicContact CD1-CZ 4.1Å; L58-R219 HydrophobicContact CD1-CG 4.41Å
59G97.7Very high93Very high15 Ų1524.1 Ų24.116%0.15514%0.142CC..SBendtrans8353.9-169.100000111.4S61 N96 D97G59-S61 VanDerWaalsContact C-N 3.26Å; G59-S61 PolarHBondContact O-N 2.94Å; G59-N96 WeakPolarHBondContact CA-O 3.39Å; G59-N96 PolarHBondContact N-O 3.28Å; G59-D97 WeakPolarHBondContact CA-OD2 3.34Å
60C96.9Very high93.8Very high7 Ų716 Ų165%0.04710%0.104CC..  trans-73.6-16.2-176.266.40000113.6D57 S66 L95 N96 D97D57-C60 HydrophobicContact CB-CB 4.49Å; D57-C60 WeakPolarHBondContact OD2-CB 3.33Å; C60-S66 WeakPolarHBondContact O-CA 3.38Å; C60-S66 VanDerWaalsContact O-CB 3.28Å; C60-S66 WeakPolarHBondContact O-CB 3.15Å; C60-S66 PolarHBondContact O-OG 3.39Å; C60-L95 HydrophobicContact CB-CB 4.37Å; C60-L95 HydrophobicContact CB-CD2 4.11Å; C60-N96 PolarHBondContact N-O 3.47Å; C60-N96 PolarHBondContact SG-O 3.38Å; C60-D97 PolarHBondContact N-OD2 3.35Å
61S94.8Very high94.4Very high8 Ų815 Ų156%0.05610%0.1CC..  trans52.8-150.7-172.5-170.20000111.9M9 Y18 G59 S66 D97 N101 I106M9-S61 WeakPolarHBondContact CG-OG 3.42Å; Y18-S61 WeakPolarHBondContact CD1-OG 3.22Å; Y18-S61 WeakPolarHBondContact CE1-OG 3.46Å; G59-S61 VanDerWaalsContact C-N 3.26Å; G59-S61 PolarHBondContact O-N 2.94Å; S61-S66 VanDerWaalsContact C-OG 3.3Å; S61-S66 PolarHBondContact O-OG 3.13Å; S61-S66 VanDerWaalsContact O-OG 3.13Å; S61-D97 WeakPolarHBondContact CA-OD2 3.37Å; S61-D97 PolarHBondContact N-OD2 2.96Å; S61-N101 VanDerWaalsContact C-ND2 3.35Å; S61-N101 PolarHBondContact O-ND2 2.7Å; S61-I106 WeakPolarHBondContact O-CD1 3.49Å
62S92.3Very high94.7Very high0 Ų011.3 Ų11.30%07%0.072CC..SBendtrans-125.2177.8170.265.20000110.7Y18 S66Y18-S62 WeakPolarHBondContact CD1-O 3.24Å; S62-S66 VanDerWaalsContact C-OG 3.26Å; S62-S66 VanDerWaalsContact CA-OG 3.27Å; S62-S66 WeakPolarHBondContact CA-OG 3.37Å; S62-S66 PolarHBondContact N-OG 3.19Å; S62-S66 PolarHBondContact O-OG 3.09Å
63G92.2Very high94.7Very high3 Ų310.2 Ų10.23%0.0317%0.065CC..SBendtrans88.2-169.2-179.200000114N65 S66G63-N65 VanDerWaalsContact C-N 3.29Å; G63-N65 PolarHBondContact O-N 3.35Å; G63-S66 PolarHBondContact O-N 3.37Å; G63-S66 PolarHBondContact O-OG 3.27Å
64P89.6Confident94.6Very high75 Ų7510.2 Ų10.249%0.4877%0.065SC..THydrogen-bonded Turntrans-66.5-28.2-173.325.7-33.5000113.5A19 S66 L68A19-P64 WeakPolarHBondContact O-CD 3.4Å; P64-S66 VanDerWaalsContact C-N 3.32Å; P64-S66 PolarHBondContact O-N 2.86Å; P64-L68 PolarHBondContact O-N 2.96Å
65N93.5Very high94.3Very high12 Ų1212.4 Ų12.46%0.0648%0.076CC..Hα-helixtrans-69.7-27.9-177.1-70.4-12.6000113.2S22 S26 I29 G63 L67 L68S22-N65 WeakPolarHBondContact CB-ND2 3.39Å; S22-N65 PolarHBondContact O-ND2 2.59Å; S22-N65 PolarHBondContact OG-ND2 2.8Å; S26-N65 WeakPolarHBondContact CB-OD1 3.04Å; S26-N65 PolarHBondContact N-ND2 3.5Å; S26-N65 PolarHBondContact OG-OD1 2.93Å; I29-N65 HydrophobicContact CD1-CB 4.02Å; G63-N65 VanDerWaalsContact C-N 3.29Å; G63-N65 PolarHBondContact O-N 3.35Å; N65-L67 PolarHBondContact O-N 3.33Å; N65-L68 PolarHBondContact O-N 3.16Å
66S90.8Very high94.1Very high1 Ų112.9 Ų12.91%0.0078%0.079CC..Hα-helixtrans-60.2-35-178.9-49.40000112.8C60 S61 S62 G63 P64C60-S66 WeakPolarHBondContact O-CA 3.38Å; C60-S66 VanDerWaalsContact O-CB 3.28Å; C60-S66 WeakPolarHBondContact O-CB 3.15Å; C60-S66 PolarHBondContact O-OG 3.39Å; S61-S66 VanDerWaalsContact C-OG 3.3Å; S61-S66 PolarHBondContact O-OG 3.13Å; S61-S66 VanDerWaalsContact O-OG 3.13Å; S62-S66 VanDerWaalsContact C-OG 3.26Å; S62-S66 VanDerWaalsContact CA-OG 3.27Å; S62-S66 WeakPolarHBondContact CA-OG 3.37Å; S62-S66 PolarHBondContact N-OG 3.19Å; S62-S66 PolarHBondContact O-OG 3.09Å; G63-S66 PolarHBondContact O-N 3.37Å; G63-S66 PolarHBondContact O-OG 3.27Å; P64-S66 VanDerWaalsContact C-N 3.32Å; P64-S66 PolarHBondContact O-N 2.86Å
67L93.9Very high93.8Very high16 Ų1613 Ų138%0.0848%0.08CC..Hα-helixtrans-98.1-17.3178.9-62.2177000112.5N65 I70 S71 L95 I106 L110 F113N65-L67 PolarHBondContact O-N 3.33Å; L67-I70 PolarHBondContact O-N 2.89Å; L67-S71 PolarHBondContact O-N 2.58Å; L67-S71 PolarHBondContact O-OG 2.88Å; L67-L95 HydrophobicContact CD2-CD1 3.78Å; L67-I106 HydrophobicContact CD2-CG2 4.29Å; L67-L110 HydrophobicContact CD1-CD2 4.4Å; L67-L110 HydrophobicContact CD2-CD2 4.07Å; L67-F113 HydrophobicContact CB-CD2 4.01Å; L67-F113 HydrophobicContact CD1-CB 3.82Å; L67-F113 HydrophobicContact CD1-CD2 4.45Å; L67-F113 HydrophobicContact CD1-CG 4.25Å; L67-F113 HydrophobicContact CD2-CD2 4.43Å
68L94Very high93.3Very high45 Ų4513.9 Ų13.924%0.2368%0.084CC..Hα-helixtrans-59.9-49.217717861.1000112.1S26 I29 P64 N65 I70 S71 N72S26-L68 WeakPolarHBondContact OG-CD2 3.45Å; I29-L68 HydrophobicContact CD1-CD2 4.41Å; I29-L68 HydrophobicContact CG2-CD2 4.4Å; I29-L68 HydrophobicContact CG2-CG 4.43Å; P64-L68 PolarHBondContact O-N 2.96Å; N65-L68 PolarHBondContact O-N 3.16Å; L68-I70 VanDerWaalsContact C-N 3.27Å; L68-I70 PolarHBondContact O-N 3.38Å; L68-S71 PolarHBondContact O-N 2.77Å; L68-N72 WeakPolarHBondContact O-CB 3.21Å; L68-N72 PolarHBondContact O-N 3.3Å; L68-N72 PolarHBondContact O-ND2 2.63Å
69S91.2Very high92.9Very high2 Ų218.7 Ų18.71%0.01411%0.11CC..Hα-helixtrans-58.4-42.7178-56.10000111.2I29 N72 I73 H157I29-S69 WeakPolarHBondContact CD1-OG 3.37Å; S69-N72 WeakPolarHBondContact O-CB 3.44Å; S69-N72 PolarHBondContact O-N 2.85Å; S69-I73 VanDerWaalsContact O-CG1 3.29Å; S69-I73 WeakPolarHBondContact O-CG1 3.39Å; S69-I73 PolarHBondContact O-N 2.89Å; S69-H157 PolarHBondContact OG-CE1 2.83Å; S69-H157 VanDerWaalsContact OG-CE1 3.3Å
70I94.2Very high92.6Very high0 Ų018.9 Ų18.90%011%0.107CC..Hα-helixtrans-67.3-47.1178.5-60.3-48.9000111.6I55 D57 L67 L68 N72 I73 V74 V93 L95 F113I55-I70 HydrophobicContact CG2-CD1 4.42Å; D57-I70 HydrophobicContact CB-CD1 3.84Å; L67-I70 PolarHBondContact O-N 2.89Å; L68-I70 VanDerWaalsContact C-N 3.27Å; L68-I70 PolarHBondContact O-N 3.38Å; I70-N72 PolarHBondContact O-N 3.03Å; I70-I73 HydrophobicContact CD1-CD1 4.32Å; I70-I73 PolarHBondContact O-N 3.49Å; I70-I73 VanDerWaalsContact O-N 3.11Å; I70-V74 HydrophobicContact CG2-CG2 3.99Å; I70-V74 WeakPolarHBondContact O-CB 3.43Å; I70-V74 VanDerWaalsContact O-CG2 3.23Å; I70-V74 WeakPolarHBondContact O-CG2 3.35Å; I70-V74 PolarHBondContact O-N 3.02Å; I70-V93 HydrophobicContact CB-CG1 4.43Å; I70-V93 HydrophobicContact CD1-CG1 3.52Å; I70-V93 HydrophobicContact CG1-CG1 3.78Å; I70-V93 HydrophobicContact CG2-CB 4.45Å; I70-V93 HydrophobicContact CG2-CG1 3.76Å; I70-V93 HydrophobicContact CG2-CG2 4Å; I70-L95 HydrophobicContact CD1-CD2 4.04Å; I70-L95 HydrophobicContact CG1-CD2 3.61Å; I70-F113 HydrophobicContact CB-CE2 4.39Å; I70-F113 HydrophobicContact CG2-CE2 3.97Å; I70-F113 HydrophobicContact CG2-CZ 3.67Å
71S93.4Very high92.2Very high8 Ų818.6 Ų18.66%0.05611%0.105CC..Hα-helixtrans-54-45.3175.4-68.90000110.7L67 L68 I73 V74 D75 F113L67-S71 PolarHBondContact O-N 2.58Å; L67-S71 PolarHBondContact O-OG 2.88Å; L68-S71 PolarHBondContact O-N 2.77Å; S71-I73 PolarHBondContact O-N 3.38Å; S71-V74 PolarHBondContact O-N 3.12Å; S71-D75 WeakPolarHBondContact O-CB 3.49Å; S71-D75 PolarHBondContact O-N 3.17Å; S71-F113 WeakPolarHBondContact OG-CE2 3.29Å
72N93.9Very high91.8Very high18 Ų1821.7 Ų21.710%0.09613%0.125CC..Hα-helixtrans-60.3-44.2178-68-20.1000112.5R33 M36 L68 S69 I70 T76R33-N72 PolarHBondContact NH1-OD1 3.46Å; R33-N72 PolarHBondContact NH2-O 3.42Å; R33-N72 VanDerWaalsContact NH2-O 3.11Å; M36-N72 HydrophobicContact CE-CB 3.52Å; L68-N72 WeakPolarHBondContact O-CB 3.21Å; L68-N72 PolarHBondContact O-N 3.3Å; L68-N72 PolarHBondContact O-ND2 2.63Å; S69-N72 WeakPolarHBondContact O-CB 3.44Å; S69-N72 PolarHBondContact O-N 2.85Å; I70-N72 PolarHBondContact O-N 3.03Å; N72-T76 WeakPolarHBondContact O-CB 3.3Å; N72-T76 PolarHBondContact O-N 2.96Å; N72-T76 VanDerWaalsContact O-N 3.08Å; N72-T76 PolarHBondContact O-OG1 2.78Å
73I94.4Very high91.6Very high0 Ų028.2 Ų28.20%016%0.16CC..Hα-helixtrans-64.1-47.6177.5-66.8163000110.9M36 L40 I55 S69 I70 S71 T76 I77 F155 H157M36-I73 HydrophobicContact CE-CG1 4.16Å; M36-I73 HydrophobicContact CG-CG1 4.37Å; M36-I73 HydrophobicContact SD-CD1 4.22Å; M36-I73 HydrophobicContact SD-CG1 3.49Å; M36-I73 WeakPolarHBondContact SD-CG1 3.48Å; L40-I73 HydrophobicContact CD1-CB 4.27Å; L40-I73 HydrophobicContact CD1-CG1 4.26Å; L40-I73 HydrophobicContact CD1-CG2 3.99Å; L40-I73 HydrophobicContact CD2-CG2 4.1Å; I55-I73 HydrophobicContact CD1-CG2 3.72Å; I55-I73 HydrophobicContact CG1-CG2 4.37Å; I55-I73 HydrophobicContact CG2-CD1 3.99Å; I55-I73 HydrophobicContact CG2-CG2 4.25Å; S69-I73 VanDerWaalsContact O-CG1 3.29Å; S69-I73 WeakPolarHBondContact O-CG1 3.39Å; S69-I73 PolarHBondContact O-N 2.89Å; I70-I73 HydrophobicContact CD1-CD1 4.32Å; I70-I73 PolarHBondContact O-N 3.49Å; I70-I73 VanDerWaalsContact O-N 3.11Å; S71-I73 PolarHBondContact O-N 3.38Å; I73-T76 PolarHBondContact O-N 3.07Å; I73-I77 HydrophobicContact CG2-CD1 3.83Å; I73-I77 WeakPolarHBondContact O-CG1 3.42Å; I73-I77 PolarHBondContact O-N 3.16Å; I73-F155 HydrophobicContact CD1-CD1 4.13Å; I73-F155 HydrophobicContact CD1-CE1 3.97Å; I73-F155 HydrophobicContact CG1-CE1 4.18Å; I73-H157 HydrophobicContact CD1-CB 3.96Å
74V92.8Very high91.3Very high0 Ų030.4 Ų30.40%017%0.17CC..Hα-helixtrans-60.8-48.4-178.9171.10000110.6I70 S71 T76 I77 H78 L91 V117I70-V74 HydrophobicContact CG2-CG2 3.99Å; I70-V74 WeakPolarHBondContact O-CB 3.43Å; I70-V74 VanDerWaalsContact O-CG2 3.23Å; I70-V74 WeakPolarHBondContact O-CG2 3.35Å; I70-V74 PolarHBondContact O-N 3.02Å; S71-V74 PolarHBondContact O-N 3.12Å; V74-T76 VanDerWaalsContact C-N 3.34Å; V74-T76 PolarHBondContact O-N 2.97Å; V74-I77 PolarHBondContact O-N 2.97Å; V74-H78 WeakPolarHBondContact CG1-CE1 3.35Å; V74-H78 WeakPolarHBondContact O-CB 3.27Å; V74-H78 VanDerWaalsContact O-CG 3.28Å; V74-H78 PolarHBondContact O-N 2.81Å; V74-H78 PolarHBondContact O-ND1 2.86Å; V74-L91 HydrophobicContact CB-CD1 4.24Å; V74-L91 HydrophobicContact CG1-CD1 4.02Å; V74-L91 HydrophobicContact CG2-CD1 3.81Å; V74-V117 HydrophobicContact CG1-CG1 3.91Å; V74-V117 HydrophobicContact CG1-CG2 4.37Å
75D91.7Very high91.2Very high45 Ų4534.2 Ų34.224%0.24119%0.187CC..Hα-helixtrans-60.3-44.4178.1-71.3-20.6000111.2S71 I77 H78 N79S71-D75 WeakPolarHBondContact O-CB 3.49Å; S71-D75 PolarHBondContact O-N 3.17Å; D75-I77 PolarHBondContact O-N 3.5Å; D75-H78 PolarHBondContact O-N 3.42Å; D75-N79 WeakPolarHBondContact O-CB 3.48Å; D75-N79 PolarHBondContact O-N 3.02Å; D75-N79 PolarHBondContact O-ND2 3.38Å
76T93.5Very high90.7Very high12 Ų1236.8 Ų36.87%0.07420%0.196CC..Hα-helixtrans-62.9-44178.3-65.10000111.7R33 D37 L40 N72 I73 V74 N79 L80R33-T76 PolarHBondContact NH2-OG1 2.74Å; D37-T76 HydrophobicContact CB-CG2 4.17Å; D37-T76 WeakPolarHBondContact OD1-CG2 3.49Å; D37-T76 PolarHBondContact OD1-OG1 2.81Å; L40-T76 HydrophobicContact CB-CG2 4.05Å; L40-T76 HydrophobicContact CD1-CG2 3.8Å; N72-T76 WeakPolarHBondContact O-CB 3.3Å; N72-T76 PolarHBondContact O-N 2.96Å; N72-T76 VanDerWaalsContact O-N 3.08Å; N72-T76 PolarHBondContact O-OG1 2.78Å; I73-T76 PolarHBondContact O-N 3.07Å; V74-T76 VanDerWaalsContact C-N 3.34Å; V74-T76 PolarHBondContact O-N 2.97Å; T76-N79 PolarHBondContact O-N 2.77Å; T76-L80 HydrophobicContact CG2-CD1 3.91Å; T76-L80 WeakPolarHBondContact O-CB 3.3Å; T76-L80 WeakPolarHBondContact O-CD1 2.96Å; T76-L80 VanDerWaalsContact O-CG 3.24Å; T76-L80 WeakPolarHBondContact O-CG 3.44Å; T76-L80 PolarHBondContact O-N 3.43Å
77I91.8Very high90.4Very high1 Ų142.2 Ų42.21%0.00523%0.231CC..Hα-helixtrans-63.2-46.3176.6-68167.6000110.6L40 M44 I53 I55 I73 V74 D75 N79 L80 C81 P89 L91L40-I77 HydrophobicContact CD2-CD1 4.25Å; L40-I77 HydrophobicContact CD2-CG1 4.23Å; M44-I77 HydrophobicContact CE-CG2 4.1Å; M44-I77 HydrophobicContact SD-CG2 4.38Å; I53-I77 HydrophobicContact CD1-CD1 4.14Å; I53-I77 HydrophobicContact CD1-CG2 4.29Å; I55-I77 HydrophobicContact CD1-CD1 3.89Å; I73-I77 HydrophobicContact CG2-CD1 3.83Å; I73-I77 WeakPolarHBondContact O-CG1 3.42Å; I73-I77 PolarHBondContact O-N 3.16Å; V74-I77 PolarHBondContact O-N 2.97Å; D75-I77 PolarHBondContact O-N 3.5Å; I77-N79 VanDerWaalsContact C-N 3.3Å; I77-N79 PolarHBondContact O-N 3Å; I77-L80 PolarHBondContact O-N 2.95Å; I77-C81 PolarHBondContact O-N 3.23Å; I77-C81 VanDerWaalsContact O-N 3.14Å; I77-C81 PolarHBondContact O-SG 2.69Å; I77-P89 HydrophobicContact CG2-CG 4.29Å; I77-L91 HydrophobicContact CD1-CD2 3.96Å; I77-L91 HydrophobicContact CG2-CD2 4.21Å
78H88.8Confident90.1Very high23 Ų2344.2 Ų44.211%0.10624%0.244CC..Hα-helixtrans-58.9-41.4178.3-73.2158000112.3V74 D75 C81 P82 V88 K121V74-H78 WeakPolarHBondContact CG1-CE1 3.35Å; V74-H78 WeakPolarHBondContact O-CB 3.27Å; V74-H78 VanDerWaalsContact O-CG 3.28Å; V74-H78 PolarHBondContact O-N 2.81Å; V74-H78 PolarHBondContact O-ND1 2.86Å; D75-H78 PolarHBondContact O-N 3.42Å; H78-C81 PolarHBondContact O-N 3.37Å; H78-P82 WeakPolarHBondContact O-CD 3.38Å; H78-V88 VanDerWaalsContact CD2-CG1 3.43Å; H78-V88 WeakPolarHBondContact CD2-CG1 3.27Å; H78-K121 PolarHBondContact CE1-NZ 3.35Å; H78-K121 PolarHBondContact NE2-NZ 3.19Å
79N89.9Confident89.9Confident102 Ų10242.3 Ų42.355%0.54523%0.234SC..Hα-helixtrans-70.2-31.7179.1-68.8-23.6000112.7D75 T76 I77D75-N79 WeakPolarHBondContact O-CB 3.48Å; D75-N79 PolarHBondContact O-N 3.02Å; D75-N79 PolarHBondContact O-ND2 3.38Å; T76-N79 PolarHBondContact O-N 2.77Å; I77-N79 VanDerWaalsContact C-N 3.3Å; I77-N79 PolarHBondContact O-N 3Å
80L91Very high90Very high19 Ų1947.2 Ų47.210%0.09926%0.257CS..Hα-helixtrans-75.7-25.9177.9-72.4168.2000113.5K41 M44 T76 I77 D83 L84K41-L80 HydrophobicContact CB-CD1 4.1Å; K41-L80 HydrophobicContact CB-CD2 4.15Å; K41-L80 HydrophobicContact CD-CD2 4.22Å; K41-L80 HydrophobicContact CG-CD2 3.96Å; M44-L80 HydrophobicContact CG-CD1 4.22Å; T76-L80 HydrophobicContact CG2-CD1 3.91Å; T76-L80 WeakPolarHBondContact O-CB 3.3Å; T76-L80 WeakPolarHBondContact O-CD1 2.96Å; T76-L80 VanDerWaalsContact O-CG 3.24Å; T76-L80 WeakPolarHBondContact O-CG 3.44Å; T76-L80 PolarHBondContact O-N 3.43Å; I77-L80 PolarHBondContact O-N 2.95Å; L80-D83 PolarHBondContact O-N 2.9Å; L80-L84 HydrophobicContact CB-CD1 4.48Å; L80-L84 WeakPolarHBondContact O-CB 3.25Å; L80-L84 VanDerWaalsContact O-CG 3.27Å; L80-L84 WeakPolarHBondContact O-CG 3.07Å; L80-L84 PolarHBondContact O-N 3.5Å; L80-L84 VanDerWaalsContact O-N 3.13Å
81C88.4Confident90Very high1 Ų147.2 Ų47.21%0.00726%0.257CS..Hα-helixtrans-63.4-46.7-175.3-69.40000113.4I77 H78 D83 L84 D85 R86 V88I77-C81 PolarHBondContact O-N 3.23Å; I77-C81 VanDerWaalsContact O-N 3.14Å; I77-C81 PolarHBondContact O-SG 2.69Å; H78-C81 PolarHBondContact O-N 3.37Å; C81-D83 PolarHBondContact O-N 3.33Å; C81-L84 PolarHBondContact O-N 3.28Å; C81-D85 PolarHBondContact O-N 2.86Å; C81-D85 VanDerWaalsContact O-N 3.17Å; C81-R86 PolarHBondContact O-N 3.48Å; C81-V88 HydrophobicContact CB-CG2 4.1Å
82P86.9Confident90.2Very high72 Ų7251.4 Ų51.447%0.46827%0.271SS..Hα-helixtrans-59.2-43.6173.6-25.233.9000113.2H78 L84 D85 F126H78-P82 WeakPolarHBondContact O-CD 3.38Å; P82-L84 PolarHBondContact O-N 2.9Å; P82-D85 PolarHBondContact O-N 3.31Å; P82-D85 VanDerWaalsContact O-N 3.1Å; P82-F126 HydrophobicContact CG-CZ 4.5Å
83D87.2Confident90.3Very high138 Ų13850.5 Ų50.574%0.73827%0.267SS*.Hα-helixtrans-62.6-27.2179.4-73.9-7.7000112.7L80 C81L80-D83 PolarHBondContact O-N 2.9Å; C81-D83 PolarHBondContact O-N 3.33Å
84L87.3Confident90.5Very high48 Ų4851.4 Ų51.425%0.25127%0.273SS..THydrogen-bonded Turntrans-96.10.1179.7-65.3174.6000113.4M44 M45 L80 C81 P82 R86M44-L84 HydrophobicContact CB-CD1 3.71Å; M45-L84 HydrophobicContact CG-CD2 4.15Å; L80-L84 HydrophobicContact CB-CD1 4.48Å; L80-L84 WeakPolarHBondContact O-CB 3.25Å; L80-L84 VanDerWaalsContact O-CG 3.27Å; L80-L84 WeakPolarHBondContact O-CG 3.07Å; L80-L84 PolarHBondContact O-N 3.5Å; L80-L84 VanDerWaalsContact O-N 3.13Å; C81-L84 PolarHBondContact O-N 3.28Å; P82-L84 PolarHBondContact O-N 2.9Å; L84-R86 HydrophobicContact CB-CG 4.23Å; L84-R86 WeakPolarHBondContact O-CG 3.11Å
85D86.5Confident90.8Very high156 Ų15651.5 Ų51.583%0.83427%0.273SS*.THydrogen-bonded Turntrans5249.6-172.9-163.729.3000112.6C81 P82C81-D85 PolarHBondContact O-N 2.86Å; C81-D85 VanDerWaalsContact O-N 3.17Å; P82-D85 PolarHBondContact O-N 3.31Å; P82-D85 VanDerWaalsContact O-N 3.1Å
86R83Confident91.1Very high66 Ų6649.4 Ų49.425%0.24926%0.262CS..  trans-128.3148.9-176.3-70.4178.5-164.5176.95112.8M44 N47 S48 C81 L84M44-R86 PolarHBondContact O-NH1 3.35Å; N47-R86 PolarHBondContact O-NH1 2.77Å; N47-R86 VanDerWaalsContact O-NH1 3.12Å; S48-R86 VanDerWaalsContact CA-CZ 3.49Å; C81-R86 PolarHBondContact O-N 3.48Å; L84-R86 HydrophobicContact CB-CG 4.23Å; L84-R86 WeakPolarHBondContact O-CG 3.11Å
87P84.9Confident91.3Very high115 Ų11549.9 Ų49.975%0.74726%0.264SS*.PPolyproline II helixtrans-65150168.629.8-34.4000110.4P89P87-P89 WeakPolarHBondContact O-CD 3.33Å
88V86.5Confident91.6Very high58 Ų5850.8 Ų50.835%0.35227%0.269SS..PPolyproline II helixtrans-65.7125.2171.9173.40000109H78 C81H78-V88 VanDerWaalsContact CD2-CG1 3.43Å; H78-V88 WeakPolarHBondContact CD2-CG1 3.27Å; C81-V88 HydrophobicContact CB-CG2 4.1Å
89P90.6Very high91.8Very high5 Ų553.5 Ų53.53%0.03229%0.289CS..PPolyproline II helixtrans-76.2161.2178.130.3-33.4000112.1S51 I53 I77 P87 L91S51-P89 WeakPolarHBondContact O-CA 3.18Å; S51-P89 WeakPolarHBondContact O-CB 3.5Å; I53-P89 HydrophobicContact CD1-CB 4.28Å; I53-P89 HydrophobicContact CD1-CG 3.44Å; I53-P89 VanDerWaalsContact CD1-CG 3.44Å; I53-P89 HydrophobicContact CG1-CB 4.1Å; I53-P89 HydrophobicContact CG1-CG 3.8Å; I77-P89 HydrophobicContact CG2-CG 4.29Å; P87-P89 WeakPolarHBondContact O-CD 3.33Å; P89-L91 HydrophobicContact CG-CD2 4.08Å; P89-L91 PolarHBondContact O-N 2.96Å
90E92.8Very high92Very high104 Ų10449.7 Ų49.749%0.48627%0.27SS..EExtended strand (participates in β ladder)trans-69.1117.6168-68.1-174.2144.600110.6S51 S52 I53 S133 F135S51-E90 PolarHBondContact O-N 2.96Å; S52-E90 CarbonylContact C-O 3.43Å; S52-E90 WeakPolarHBondContact CA-O 3.28Å; S52-E90 PolarHBondContact OG-O 3.11Å; I53-E90 PolarHBondContact N-O 3.12Å; E90-S133 CarbonylContact C-O 3.52Å; E90-S133 WeakPolarHBondContact CA-O 3.36Å; E90-F135 HydrophobicContact CB-CE2 4.31Å; E90-F135 HydrophobicContact CG-CE2 4.28Å
91L95Very high92.2Very high0 Ų049.3 Ų49.30%027%0.268CS..EExtended strand (participates in β ladder)trans-90.5113177.9-50.3-176000109.6I53 I55 V74 I77 P89 V93 S133 F135I53-L91 HydrophobicContact CB-CD2 4Å; I53-L91 HydrophobicContact CD1-CD2 4.22Å; I53-L91 HydrophobicContact CG1-CD2 4.43Å; I55-L91 HydrophobicContact CD1-CB 4.34Å; I55-L91 HydrophobicContact CD1-CD2 4.26Å; V74-L91 HydrophobicContact CB-CD1 4.24Å; V74-L91 HydrophobicContact CG1-CD1 4.02Å; V74-L91 HydrophobicContact CG2-CD1 3.81Å; I77-L91 HydrophobicContact CD1-CD2 3.96Å; I77-L91 HydrophobicContact CG2-CD2 4.21Å; P89-L91 HydrophobicContact CG-CD2 4.08Å; P89-L91 PolarHBondContact O-N 2.96Å; L91-V93 HydrophobicContact CB-CG2 4.48Å; L91-S133 PolarHBondContact N-O 3.32Å; L91-F135 PolarHBondContact O-N 3.26Å
92R96.8Very high92.6Very high96 Ų9650.5 Ų50.536%0.36227%0.274SS..EExtended strand (participates in β ladder)trans-99.995.7173.2-62.7179.1-63.91074.4108.1S52 I53 I55 S152S52-R92 PolarHBondContact OG-NE 2.96Å; I53-R92 PolarHBondContact O-N 3.42Å; I55-R92 PolarHBondContact N-O 3.04Å; R92-S152 PolarHBondContact NH2-O 3.27Å
93V97.3Very high93Very high0 Ų048.3 Ų48.30%026%0.257CS..EExtended strand (participates in β ladder)trans-92.8129.3-176.3178.60000110I55 I70 L91 L95 F135 V136 S137I55-V93 HydrophobicContact CB-CG2 4.35Å; I55-V93 HydrophobicContact CD1-CG2 4.26Å; I55-V93 CarbonylContact O-C 3.57Å; I55-V93 WeakPolarHBondContact O-CA 3.47Å; I70-V93 HydrophobicContact CB-CG1 4.43Å; I70-V93 HydrophobicContact CD1-CG1 3.52Å; I70-V93 HydrophobicContact CG1-CG1 3.78Å; I70-V93 HydrophobicContact CG2-CB 4.45Å; I70-V93 HydrophobicContact CG2-CG1 3.76Å; I70-V93 HydrophobicContact CG2-CG2 4Å; L91-V93 HydrophobicContact CB-CG2 4.48Å; V93-L95 HydrophobicContact CG1-CD2 4.49Å; V93-F135 PolarHBondContact N-O 3.47Å; V93-V136 HydrophobicContact CB-CG2 4.2Å; V93-V136 HydrophobicContact CG1-CG1 4.4Å; V93-V136 HydrophobicContact CG1-CG2 4.46Å; V93-V136 CarbonylContact O-C 3.59Å; V93-V136 WeakPolarHBondContact O-CA 3.34Å; V93-S137 PolarHBondContact O-N 3.01Å
94S98.2Very high93.4Very high18 Ų1848.1 Ų48.113%0.12626%0.256CS..EExtended strand (participates in β ladder)trans-118.6116.5175.6-61.60000110.5I55 A56 D57 S137 F148I55-S94 PolarHBondContact O-N 3.38Å; A56-S94 CarbonylContact C-O 3.56Å; A56-S94 VanDerWaalsContact CA-O 3.28Å; A56-S94 WeakPolarHBondContact CA-O 3.4Å; D57-S94 PolarHBondContact N-O 2.93Å; S94-S137 CarbonylContact C-O 3.52Å; S94-S137 WeakPolarHBondContact CA-O 3.34Å; S94-F148 VanDerWaalsContact CB-CE1 3.48Å
95L98.3Very high93.8Very high2 Ų248.6 Ų48.61%0.0126%0.255CS..EExtended strand (participates in β ladder)trans-91.8110.7173.4-64.2177.6000108.5D57 C60 L67 I70 V93 I106 V136 S137 A138 V139D57-L95 HydrophobicContact CB-CD2 4.05Å; C60-L95 HydrophobicContact CB-CB 4.37Å; C60-L95 HydrophobicContact CB-CD2 4.11Å; L67-L95 HydrophobicContact CD2-CD1 3.78Å; I70-L95 HydrophobicContact CD1-CD2 4.04Å; I70-L95 HydrophobicContact CG1-CD2 3.61Å; V93-L95 HydrophobicContact CG1-CD2 4.49Å; L95-I106 HydrophobicContact CD1-CG2 3.5Å; L95-V136 HydrophobicContact CD1-CG1 3.65Å; L95-V136 HydrophobicContact CG-CG1 3.97Å; L95-S137 PolarHBondContact N-O 3.49Å; L95-A138 CarbonylContact O-C 3.5Å; L95-A138 WeakPolarHBondContact O-CA 3.27Å; L95-V139 PolarHBondContact O-N 3.48Å
96N98.4Very high94.2Very high1 Ų141.5 Ų41.51%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-105.9137.8179.9165-108.8000111.2D57 L58 G59 C60 V139 G141 L147D57-N96 PolarHBondContact O-N 3.16Å; L58-N96 HydrophobicContact CD2-CB 3.75Å; G59-N96 WeakPolarHBondContact CA-O 3.39Å; G59-N96 PolarHBondContact N-O 3.28Å; C60-N96 PolarHBondContact N-O 3.47Å; C60-N96 PolarHBondContact SG-O 3.38Å; N96-V139 VanDerWaalsContact CA-O 3.32Å; N96-V139 WeakPolarHBondContact CA-O 3.45Å; N96-V139 HydrophobicContact CB-CB 4.37Å; N96-V139 PolarHBondContact ND2-O 2.99Å; N96-G141 PolarHBondContact ND2-O 3.38Å; N96-L147 HydrophobicContact CB-CD1 4.3Å; N96-L147 VanDerWaalsContact CG-CD1 3.47Å; N96-L147 WeakPolarHBondContact ND2-CD1 3.48Å
97D97.9Very high94.8Very high22 Ų2241.6 Ų41.612%0.11823%0.227CC..EExtended strand (participates in β ladder)trans-155.5177.9166.2-148.2-75.4000109.3G59 C60 S61 N101 F103 P140 G141G59-D97 WeakPolarHBondContact CA-OD2 3.34Å; C60-D97 PolarHBondContact N-OD2 3.35Å; S61-D97 WeakPolarHBondContact CA-OD2 3.37Å; S61-D97 PolarHBondContact N-OD2 2.96Å; D97-N101 HydrophobicContact CB-CB 3.71Å; D97-N101 WeakPolarHBondContact CB-ND2 3.48Å; D97-F103 HydrophobicContact CB-CE1 4.41Å; D97-F103 HydrophobicContact CB-CE2 4.4Å; D97-F103 HydrophobicContact CB-CZ 3.78Å; D97-P140 CarbonylContact O-C 3.43Å; D97-P140 WeakPolarHBondContact O-CA 3.44Å; D97-G141 PolarHBondContact O-N 3.45Å
98L97.1Very high95.3Very high20 Ų2039.8 Ų39.811%0.10522%0.222CC..  trans-63.9152.8173.1-68.4176.2000111.2M4 L7 S100 N101M4-L98 HydrophobicContact CG-CD2 4.18Å; L7-L98 HydrophobicContact CB-CD1 3.93Å; L7-L98 HydrophobicContact CD2-CD1 3.99Å; L7-L98 HydrophobicContact CG-CD1 4.08Å; L7-L98 VanDerWaalsContact O-CD1 3.29Å; L7-L98 WeakPolarHBondContact O-CD1 3.23Å; L98-S100 PolarHBondContact O-N 3.44Å; L98-N101 VanDerWaalsContact O-CB 3.28Å; L98-N101 WeakPolarHBondContact O-CB 3.5Å; L98-N101 PolarHBondContact O-N 3.16Å
99P94.8Very high95.6Very high81 Ų8138.4 Ų38.453%0.52622%0.215SC..THydrogen-bonded Turntrans-58.5-22.2-177.3-25.835.2000115N101 P140P99-N101 VanDerWaalsContact C-N 3.31Å; P99-P140 HydrophobicContact CB-CB 4.4Å; P99-P140 HydrophobicContact CG-CB 4.41Å
100S93.5Very high95.8Very high21 Ų2139.6 Ų39.615%0.14722%0.221CC..THydrogen-bonded Turntrans-77.4-11.7178.652.50000113.7L7 K11 L98L7-S100 PolarHBondContact O-OG 3.1Å; K11-S100 WeakPolarHBondContact CE-O 3.46Å; K11-S100 PolarHBondContact NZ-O 3.12Å; L98-S100 PolarHBondContact O-N 3.44Å
101N95.8Very high95.8Very high11 Ų1138.3 Ų38.36%0.05922%0.222CC..SBendtrans-64.5157.6-178.5-174.337.8000113.2S61 D97 L98 P99 F103S61-N101 VanDerWaalsContact C-ND2 3.35Å; S61-N101 PolarHBondContact O-ND2 2.7Å; D97-N101 HydrophobicContact CB-CB 3.71Å; D97-N101 WeakPolarHBondContact CB-ND2 3.48Å; L98-N101 VanDerWaalsContact O-CB 3.28Å; L98-N101 WeakPolarHBondContact O-CB 3.5Å; L98-N101 PolarHBondContact O-N 3.16Å; P99-N101 VanDerWaalsContact C-N 3.31Å; N101-F103 VanDerWaalsContact C-N 3.3Å; N101-F103 HydrophobicContact CB-CD2 4.22Å; N101-F103 HydrophobicContact CB-CE2 3.93Å; N101-F103 HydrophobicContact CB-CZ 4.45Å; N101-F103 PolarHBondContact O-N 3.04Å
102D95.6Very high95.6Very high26 Ų2645 Ų4514%0.13925%0.252CS..  trans-83.468.7178.4-167.1-3000112.1K11 G12 N104 Y105K11-D102 HydrophobicContact CB-CB 4.09Å; K11-D102 HydrophobicContact CD-CB 4.26Å; K11-D102 HydrophobicContact CG-CB 4Å; G12-D102 PolarHBondContact N-OD2 3.46Å; D102-N104 PolarHBondContact O-N 3.16Å; D102-N104 PolarHBondContact OD1-N 3.08Å; D102-Y105 WeakPolarHBondContact O-CB 3.49Å; D102-Y105 PolarHBondContact O-N 2.81Å; D102-Y105 PolarHBondContact OD1-N 2.79Å; D102-Y105 VanDerWaalsContact OD1-N 3.08Å
103F95.9Very high95.3Very high27 Ų2740.9 Ų40.912%0.11824%0.238CC..Hα-helixtrans-63-24.8174.3-72.4-76.9000112.8D97 N101 Y105 I106 C107 A138 P140D97-F103 HydrophobicContact CB-CE1 4.41Å; D97-F103 HydrophobicContact CB-CE2 4.4Å; D97-F103 HydrophobicContact CB-CZ 3.78Å; N101-F103 VanDerWaalsContact C-N 3.3Å; N101-F103 HydrophobicContact CB-CD2 4.22Å; N101-F103 HydrophobicContact CB-CE2 3.93Å; N101-F103 HydrophobicContact CB-CZ 4.45Å; N101-F103 PolarHBondContact O-N 3.04Å; F103-Y105 VanDerWaalsContact C-N 3.33Å; F103-Y105 PolarHBondContact O-N 2.67Å; F103-I106 HydrophobicContact CD1-CD1 3.96Å; F103-I106 HydrophobicContact CE1-CD1 4.46Å; F103-I106 PolarHBondContact O-N 3.4Å; F103-C107 WeakPolarHBondContact O-CB 3.26Å; F103-C107 PolarHBondContact O-N 2.93Å; F103-C107 PolarHBondContact O-SG 3.32Å; F103-A138 HydrophobicContact CD1-CB 3.58Å; F103-A138 HydrophobicContact CE1-CB 3.85Å; F103-A138 HydrophobicContact CG-CB 4.36Å; F103-P140 HydrophobicContact CE2-CB 3.97Å; F103-P140 HydrophobicContact CZ-CB 4.3Å
104N96.1Very high95Very high133 Ų13343.9 Ų43.971%0.71125%0.249SC*.Hα-helixtrans-64.1-41.1177.8-74.4-11.8000111.3D102 I106 C107 A108D102-N104 PolarHBondContact O-N 3.16Å; D102-N104 PolarHBondContact OD1-N 3.08Å; N104-I106 VanDerWaalsContact C-N 3.33Å; N104-I106 PolarHBondContact O-N 3.08Å; N104-C107 PolarHBondContact O-N 2.86Å; N104-A108 WeakPolarHBondContact O-CB 3.05Å; N104-A108 PolarHBondContact O-N 3Å
105Y94.6Very high94.5Very high59 Ų5947.5 Ų47.523%0.23127%0.267CS..Hα-helixtrans-56.2-49172.5-172.9-78.1000111.4N13 A19 D102 F103 C107 A108 S109N13-Y105 HydrophobicContact CB-CE2 4.08Å; A19-Y105 HydrophobicContact CB-CE2 4.48Å; D102-Y105 WeakPolarHBondContact O-CB 3.49Å; D102-Y105 PolarHBondContact O-N 2.81Å; D102-Y105 PolarHBondContact OD1-N 2.79Å; D102-Y105 VanDerWaalsContact OD1-N 3.08Å; F103-Y105 VanDerWaalsContact C-N 3.33Å; F103-Y105 PolarHBondContact O-N 2.67Å; Y105-C107 PolarHBondContact O-N 2.92Å; Y105-A108 PolarHBondContact O-N 2.86Å; Y105-S109 PolarHBondContact O-N 2.82Å; Y105-S109 VanDerWaalsContact O-N 3.15Å; Y105-S109 PolarHBondContact O-OG 3.49Å
106I94.8Very high93.8Very high6 Ų654 Ų543%0.03129%0.292CS..Hα-helixtrans-60.2-49.7-179.3-54.4174.2000110.3S61 L67 L95 F103 N104 A108 S109 L110S61-I106 WeakPolarHBondContact O-CD1 3.49Å; L67-I106 HydrophobicContact CD2-CG2 4.29Å; L95-I106 HydrophobicContact CD1-CG2 3.5Å; F103-I106 HydrophobicContact CD1-CD1 3.96Å; F103-I106 HydrophobicContact CE1-CD1 4.46Å; F103-I106 PolarHBondContact O-N 3.4Å; N104-I106 VanDerWaalsContact C-N 3.33Å; N104-I106 PolarHBondContact O-N 3.08Å; I106-A108 PolarHBondContact O-N 3.31Å; I106-S109 PolarHBondContact O-N 3.18Å; I106-L110 PolarHBondContact O-N 3.05Å
107C95.2Very high93Very high68 Ų6854.1 Ų54.146%0.45929%0.292SS..Hα-helixtrans-56.9-38.9178.6-71.10000112F103 N104 Y105 S109 L110F103-C107 WeakPolarHBondContact O-CB 3.26Å; F103-C107 PolarHBondContact O-N 2.93Å; F103-C107 PolarHBondContact O-SG 3.32Å; N104-C107 PolarHBondContact O-N 2.86Å; Y105-C107 PolarHBondContact O-N 2.92Å; C107-S109 VanDerWaalsContact C-N 3.29Å; C107-S109 PolarHBondContact O-N 3.28Å; C107-L110 PolarHBondContact O-N 3.21Å
108A95.4Very high92Very high78 Ų7856 Ų5665%0.64530%0.302SS*.Hα-helixtrans-68.2-26.2176.500000113.3N104 Y105 I106 P111N104-A108 WeakPolarHBondContact O-CB 3.05Å; N104-A108 PolarHBondContact O-N 3Å; Y105-A108 PolarHBondContact O-N 2.86Å; I106-A108 PolarHBondContact O-N 3.31Å; A108-P111 WeakPolarHBondContact O-CD 3.07Å
109S93.9Very high90.6Very high28 Ų2859.8 Ų59.820%0.19632%0.323CS..Hα-helixtrans-86.7-11.1176.6-58.40000114.4Y105 I106 C107 E112 F113Y105-S109 PolarHBondContact O-N 2.82Å; Y105-S109 VanDerWaalsContact O-N 3.15Å; Y105-S109 PolarHBondContact O-OG 3.49Å; I106-S109 PolarHBondContact O-N 3.18Å; C107-S109 VanDerWaalsContact C-N 3.29Å; C107-S109 PolarHBondContact O-N 3.28Å; S109-E112 PolarHBondContact O-N 2.95Å; S109-F113 PolarHBondContact O-N 3.34Å
110L93.4Very high88.8Confident30 Ų3060.5 Ų60.516%0.15732%0.322CS..Hα-helixtrans-60-39.7-178.4-71.4177.5000114.6L67 I106 C107 E112 F113 Y114 V136L67-L110 HydrophobicContact CD1-CD2 4.4Å; L67-L110 HydrophobicContact CD2-CD2 4.07Å; I106-L110 PolarHBondContact O-N 3.05Å; C107-L110 PolarHBondContact O-N 3.21Å; L110-E112 PolarHBondContact O-N 3.34Å; L110-F113 WeakPolarHBondContact O-CB 3.22Å; L110-F113 PolarHBondContact O-N 2.88Å; L110-Y114 HydrophobicContact CB-CD2 4.29Å; L110-Y114 HydrophobicContact CB-CE2 3.99Å; L110-Y114 WeakPolarHBondContact O-CD2 3.45Å; L110-Y114 PolarHBondContact O-N 3.3Å; L110-V136 HydrophobicContact CD2-CB 3.97Å; L110-V136 HydrophobicContact CD2-CG1 3.84Å; L110-V136 HydrophobicContact CD2-CG2 4.22Å
111P92.7Very high86.9Confident78 Ų7861.2 Ų61.251%0.50632%0.322SS..Hα-helixtrans-57.2-47.9178-26.836.3000112.9A108 F113 Y114 D115A108-P111 WeakPolarHBondContact O-CD 3.07Å; P111-F113 VanDerWaalsContact C-N 3.31Å; P111-F113 PolarHBondContact O-N 3.49Å; P111-Y114 PolarHBondContact O-N 2.94Å; P111-D115 PolarHBondContact O-N 3.43Å
112E91Very high84.6Confident139 Ų13969.3 Ų69.365%0.6536%0.36SS*.Hα-helixtrans-63.6-37.8178-174.2-176.9172.300111.8S109 L110 D115 R116S109-E112 PolarHBondContact O-N 2.95Å; L110-E112 PolarHBondContact O-N 3.34Å; E112-D115 PolarHBondContact O-N 3.01Å; E112-R116 PolarHBondContact O-N 3.37Å
113F91.1Very high82.2Confident11 Ų1171.8 Ų71.85%0.04839%0.391CS..Hα-helixtrans-62-46.8174.3166.1-92.3000112.1L67 I70 S71 S109 L110 P111 D115 R116 V117 V136L67-F113 HydrophobicContact CB-CD2 4.01Å; L67-F113 HydrophobicContact CD1-CB 3.82Å; L67-F113 HydrophobicContact CD1-CD2 4.45Å; L67-F113 HydrophobicContact CD1-CG 4.25Å; L67-F113 HydrophobicContact CD2-CD2 4.43Å; I70-F113 HydrophobicContact CB-CE2 4.39Å; I70-F113 HydrophobicContact CG2-CE2 3.97Å; I70-F113 HydrophobicContact CG2-CZ 3.67Å; S71-F113 WeakPolarHBondContact OG-CE2 3.29Å; S109-F113 PolarHBondContact O-N 3.34Å; L110-F113 WeakPolarHBondContact O-CB 3.22Å; L110-F113 PolarHBondContact O-N 2.88Å; P111-F113 VanDerWaalsContact C-N 3.31Å; P111-F113 PolarHBondContact O-N 3.49Å; F113-D115 VanDerWaalsContact C-N 3.35Å; F113-D115 PolarHBondContact O-N 3.2Å; F113-R116 PolarHBondContact O-N 3.07Å; F113-V117 HydrophobicContact CD1-CG2 4.46Å; F113-V117 HydrophobicContact CD2-CG2 4.29Å; F113-V117 HydrophobicContact CE1-CG2 4.03Å; F113-V117 HydrophobicContact CE2-CG2 3.87Å; F113-V117 HydrophobicContact CZ-CG2 3.71Å; F113-V117 WeakPolarHBondContact O-CG2 3.32Å; F113-V117 PolarHBondContact O-N 3.24Å; F113-V136 HydrophobicContact CD1-CG2 4.46Å; F113-V136 HydrophobicContact CE1-CG2 3.82Å; F113-V136 HydrophobicContact CZ-CG2 4.48Å
114Y90.3Very high79.9Confident63 Ų6375.9 Ų75.925%0.24741%0.414CS..Hα-helixtrans-63.5-41.7177.4-71.2-54.5000111.4L110 P111 R116 V117 N118 C134 V136L110-Y114 HydrophobicContact CB-CD2 4.29Å; L110-Y114 HydrophobicContact CB-CE2 3.99Å; L110-Y114 WeakPolarHBondContact O-CD2 3.45Å; L110-Y114 PolarHBondContact O-N 3.3Å; P111-Y114 PolarHBondContact O-N 2.94Å; Y114-R116 VanDerWaalsContact C-N 3.3Å; Y114-R116 PolarHBondContact O-N 3.03Å; Y114-V117 PolarHBondContact O-N 2.86Å; Y114-N118 VanDerWaalsContact O-CB 3.24Å; Y114-N118 WeakPolarHBondContact O-CB 3.46Å; Y114-N118 PolarHBondContact O-N 3.4Å; Y114-N118 PolarHBondContact O-ND2 3.28Å; Y114-N118 PolarHBondContact O-OD1 2.91Å; Y114-N118 VanDerWaalsContact O-OD1 3.08Å; Y114-C134 WeakPolarHBondContact CE1-O 3.17Å; Y114-V136 HydrophobicContact CE1-CG2 4.22Å; Y114-V136 WeakPolarHBondContact OH-CB 3.47Å; Y114-V136 PolarHBondContact OH-N 3.08Å
115D88.1Confident77.2Confident94 Ų9473.3 Ų73.350%0.50342%0.419SS..Hα-helixtrans-57.3-44174.7-73.7-19000111.5P111 E112 F113 N118 N119P111-D115 PolarHBondContact O-N 3.43Å; E112-D115 PolarHBondContact O-N 3.01Å; F113-D115 VanDerWaalsContact C-N 3.35Å; F113-D115 PolarHBondContact O-N 3.2Å; D115-N118 PolarHBondContact O-N 2.97Å; D115-N119 WeakPolarHBondContact O-CB 3.45Å; D115-N119 PolarHBondContact O-N 3.31Å; D115-N119 PolarHBondContact O-ND2 3.3Å
116R84.4Confident74.7Confident139 Ų13977.4 Ų77.453%0.52544%0.438SS..Hα-helixtrans-63.5-48.2177-178.8-178.4-75.8-175-1.6112.2E112 F113 Y114 N118 N120E112-R116 PolarHBondContact O-N 3.37Å; F113-R116 PolarHBondContact O-N 3.07Å; Y114-R116 VanDerWaalsContact C-N 3.3Å; Y114-R116 PolarHBondContact O-N 3.03Å; R116-N118 PolarHBondContact O-N 3.46Å; R116-N120 PolarHBondContact O-N 2.95Å
117V81.7Confident72.2Confident3 Ų380.1 Ų80.12%0.01847%0.468CS..Hα-helixtrans-62.9-31.2-179.71730000111V74 F113 Y114 K121V74-V117 HydrophobicContact CG1-CG1 3.91Å; V74-V117 HydrophobicContact CG1-CG2 4.37Å; F113-V117 HydrophobicContact CD1-CG2 4.46Å; F113-V117 HydrophobicContact CD2-CG2 4.29Å; F113-V117 HydrophobicContact CE1-CG2 4.03Å; F113-V117 HydrophobicContact CE2-CG2 3.87Å; F113-V117 HydrophobicContact CZ-CG2 3.71Å; F113-V117 WeakPolarHBondContact O-CG2 3.32Å; F113-V117 PolarHBondContact O-N 3.24Å; Y114-V117 PolarHBondContact O-N 2.86Å; V117-K121 WeakPolarHBondContact O-CE 3.29Å
118N75.8Confident69.7Low60 Ų6089.2 Ų89.232%0.32149%0.493SS..Hα-helixtrans-84.8-40.6-178.2-60.6-3.3000112.5Y114 D115 R116 K121 G131Y114-N118 VanDerWaalsContact O-CB 3.24Å; Y114-N118 WeakPolarHBondContact O-CB 3.46Å; Y114-N118 PolarHBondContact O-N 3.4Å; Y114-N118 PolarHBondContact O-ND2 3.28Å; Y114-N118 PolarHBondContact O-OD1 2.91Å; Y114-N118 VanDerWaalsContact O-OD1 3.08Å; D115-N118 PolarHBondContact O-N 2.97Å; R116-N118 PolarHBondContact O-N 3.46Å; N118-K121 WeakPolarHBondContact O-CB 3.33Å; N118-K121 WeakPolarHBondContact O-CG 3.38Å; N118-K121 PolarHBondContact O-N 2.79Å; N118-G131 WeakPolarHBondContact OD1-CA 3.28Å
119N68.1Low67.1Low101 Ų10187.4 Ų87.454%0.5448%0.482SS..Hα-helixtrans-78.6-22.9-173.4-70.2-26.7000114D115 K121 E122D115-N119 WeakPolarHBondContact O-CB 3.45Å; D115-N119 PolarHBondContact O-N 3.31Å; D115-N119 PolarHBondContact O-ND2 3.3Å; N119-K121 PolarHBondContact O-N 3.4Å; N119-E122 PolarHBondContact O-N 3.32Å
120N57.5Low64.7Low95 Ų9586.9 Ų86.951%0.50848%0.481SS..THydrogen-bonded Turntrans-61.40.6171.7-81.9-8.9000113.5R116R116-N120 PolarHBondContact O-N 2.95Å
121K54.1Low62.6Low36 Ų3686 Ų8616%0.15748%0.479CS..THydrogen-bonded Turntrans-104.3-11.6-171.9-54.5-168.5174.6-164.10114.8H78 V117 N118 N119 G123 L124 G130H78-K121 PolarHBondContact CE1-NZ 3.35Å; H78-K121 PolarHBondContact NE2-NZ 3.19Å; V117-K121 WeakPolarHBondContact O-CE 3.29Å; N118-K121 WeakPolarHBondContact O-CB 3.33Å; N118-K121 WeakPolarHBondContact O-CG 3.38Å; N118-K121 PolarHBondContact O-N 2.79Å; N119-K121 PolarHBondContact O-N 3.4Å; K121-G123 PolarHBondContact O-N 3.48Å; K121-L124 PolarHBondContact O-N 2.97Å; K121-G130 PolarHBondContact NZ-O 3.44Å
122E47Very low61.1Low182 Ų18289.5 Ų89.585%0.8549%0.488SS*.THydrogen-bonded Turntrans-64.8-23.1177.6-70.7-164.1152.800112.9N119N119-E122 PolarHBondContact O-N 3.32Å
123G45.5Very low60.6Low77 Ų7783.5 Ų83.579%0.79446%0.462SS*.THydrogen-bonded Turntrans-85.4-10.5178.700000116.2K121K121-G123 PolarHBondContact O-N 3.48Å
124L46.5Very low60.7Low113 Ų11383.2 Ų83.259%0.59246%0.462SS*.THydrogen-bonded Turntrans-109.44.7-168.5-72.5165.9000114.6K121 F126K121-L124 PolarHBondContact O-N 2.97Å; L124-F126 HydrophobicContact CB-CD2 3.99Å; L124-F126 VanDerWaalsContact O-CD2 3.22Å; L124-F126 WeakPolarHBondContact O-CD2 3.35Å; L124-F126 PolarHBondContact O-N 3.3Å; L124-F126 VanDerWaalsContact O-N 3.07Å
125G40.4Very low60.8Low80 Ų8084.8 Ų84.883%0.82547%0.47SS*.THydrogen-bonded Turntrans68.46.2173.900000115.5
126F42.2Very low61.2Low144 Ų14481.3 Ų81.363%0.63245%0.452SS*.  trans-82.8128.7171.5-70-81.9000109.4P82 L124P82-F126 HydrophobicContact CG-CZ 4.5Å; L124-F126 HydrophobicContact CB-CD2 3.99Å; L124-F126 VanDerWaalsContact O-CD2 3.22Å; L124-F126 WeakPolarHBondContact O-CD2 3.35Å; L124-F126 PolarHBondContact O-N 3.3Å; L124-F126 VanDerWaalsContact O-N 3.07Å
127G41.2Very low61.8Low64 Ų6478 Ų7866%0.6645%0.45SS*.  trans-52.4158.2174.900000112.2G129G127-G129 PolarHBondContact O-N 2.89Å
128R42.9Very low62.5Low258 Ų25880.3 Ų80.397%0.97447%0.469SS*.G310 helixtrans-44.7-1.4-171.1-75.2-176.4170.8-163.3-3.9119.3
129G41.4Very low63.6Low40 Ų4078.7 Ų78.741%0.41246%0.462SS..G310 helixtrans-88.6-0.6-169.400000116.9G127 G131 E132G127-G129 PolarHBondContact O-N 2.89Å; G129-G131 VanDerWaalsContact C-N 3.28Å; G129-G131 PolarHBondContact O-N 2.95Å; G129-E132 PolarHBondContact O-N 3.2Å
130G43.1Very low65Low17 Ų1777.7 Ų77.718%0.17546%0.461CS..G310 helixtrans-70.9-21.1-173.900000114.9K121 S133K121-G130 PolarHBondContact NZ-O 3.44Å; G130-S133 PolarHBondContact O-OG 2.68Å; G130-S133 VanDerWaalsContact O-OG 3.13Å
131G50.2Low66.8Low12 Ų1273.9 Ų73.912%0.12444%0.444CS..G310 helixtrans-79.4-23.5178.300000115.2N118 G129 S133N118-G131 WeakPolarHBondContact OD1-CA 3.28Å; G129-G131 VanDerWaalsContact C-N 3.28Å; G129-G131 PolarHBondContact O-N 2.95Å; G131-S133 PolarHBondContact O-N 2.8Å; G131-S133 VanDerWaalsContact O-N 3.17Å
132E60.9Low68.9Low151 Ų15173.6 Ų73.671%0.70645%0.446SS*.G310 helixtrans-75.8-1.5-175.8-59.4178160.600112G129 F135G129-E132 PolarHBondContact O-N 3.2Å; E132-F135 WeakPolarHBondContact O-CZ 3.47Å
133S80.6Confident71.3Confident14 Ų1465.9 Ų65.910%0.09841%0.41CS..G310 helixtrans-101.73.5-177.570.30000114.1E90 L91 G130 G131E90-S133 CarbonylContact C-O 3.52Å; E90-S133 WeakPolarHBondContact CA-O 3.36Å; L91-S133 PolarHBondContact N-O 3.32Å; G130-S133 PolarHBondContact O-OG 2.68Å; G130-S133 VanDerWaalsContact O-OG 3.13Å; G131-S133 PolarHBondContact O-N 2.8Å; G131-S133 VanDerWaalsContact O-N 3.17Å
134C92Very high73.8Confident5 Ų563.5 Ų63.53%0.03438%0.377CS..EExtended strand (participates in β ladder)trans-117.7118.4178.6-169.40000111.7Y114Y114-C134 WeakPolarHBondContact CE1-O 3.17Å
135F94.1Very high76.2Confident96 Ų9659.4 Ų59.442%0.42136%0.362SS..EExtended strand (participates in β ladder)trans-119.1108.3-177.7-55-81.5000109.7E90 L91 V93 E132E90-F135 HydrophobicContact CB-CE2 4.31Å; E90-F135 HydrophobicContact CG-CE2 4.28Å; L91-F135 PolarHBondContact O-N 3.26Å; V93-F135 PolarHBondContact N-O 3.47Å; E132-F135 WeakPolarHBondContact O-CZ 3.47Å
136V95.5Very high79Confident21 Ų2160.2 Ų60.213%0.12734%0.34CS..EExtended strand (participates in β ladder)trans-94131.4179.5-172.90000110.6V93 L95 L110 F113 Y114V93-V136 HydrophobicContact CB-CG2 4.2Å; V93-V136 HydrophobicContact CG1-CG1 4.4Å; V93-V136 HydrophobicContact CG1-CG2 4.46Å; V93-V136 CarbonylContact O-C 3.59Å; V93-V136 WeakPolarHBondContact O-CA 3.34Å; L95-V136 HydrophobicContact CD1-CG1 3.65Å; L95-V136 HydrophobicContact CG-CG1 3.97Å; L110-V136 HydrophobicContact CD2-CB 3.97Å; L110-V136 HydrophobicContact CD2-CG1 3.84Å; L110-V136 HydrophobicContact CD2-CG2 4.22Å; F113-V136 HydrophobicContact CD1-CG2 4.46Å; F113-V136 HydrophobicContact CE1-CG2 3.82Å; F113-V136 HydrophobicContact CZ-CG2 4.48Å; Y114-V136 HydrophobicContact CE1-CG2 4.22Å; Y114-V136 WeakPolarHBondContact OH-CB 3.47Å; Y114-V136 PolarHBondContact OH-N 3.08Å
137S96.4Very high81.6Confident69 Ų6955.1 Ų55.148%0.48332%0.319SS..EExtended strand (participates in β ladder)trans-128.2150.7174.5-640000110.7V93 S94 L95V93-S137 PolarHBondContact O-N 3.01Å; S94-S137 CarbonylContact C-O 3.52Å; S94-S137 WeakPolarHBondContact CA-O 3.34Å; L95-S137 PolarHBondContact N-O 3.49Å
138A97.4Very high84.4Confident51 Ų5153 Ų5342%0.42129%0.292SS..EExtended strand (participates in β ladder)trans-96.5138.4170.700000110.5L95 F103L95-A138 CarbonylContact O-C 3.5Å; L95-A138 WeakPolarHBondContact O-CA 3.27Å; F103-A138 HydrophobicContact CD1-CB 3.58Å; F103-A138 HydrophobicContact CE1-CB 3.85Å; F103-A138 HydrophobicContact CG-CB 4.36Å
139V98.1Very high87Confident27 Ų2745 Ų4516%0.16427%0.274CS..EExtended strand (participates in β ladder)trans-128.689.3179.6-176.10000109.1L95 N96 L147 F148L95-V139 PolarHBondContact O-N 3.48Å; N96-V139 VanDerWaalsContact CA-O 3.32Å; N96-V139 WeakPolarHBondContact CA-O 3.45Å; N96-V139 HydrophobicContact CB-CB 4.37Å; N96-V139 PolarHBondContact ND2-O 2.99Å; V139-L147 HydrophobicContact CG1-CB 4.23Å; V139-L147 HydrophobicContact CG1-CD2 4.28Å; V139-F148 HydrophobicContact CB-CE1 4.48Å; V139-F148 HydrophobicContact CG1-CE1 4.33Å; V139-F148 HydrophobicContact CG1-CZ 4.4Å; V139-F148 HydrophobicContact CG2-CE1 3.93Å; V139-F148 HydrophobicContact CG2-CZ 4.42Å
140P97.2Very high89.7Confident80 Ų8051.4 Ų51.452%0.51929%0.285SS..EExtended strand (participates in β ladder)trans-73.1129.7178.229.1-33.2000110.9D97 P99 F103D97-P140 CarbonylContact O-C 3.43Å; D97-P140 WeakPolarHBondContact O-CA 3.44Å; P99-P140 HydrophobicContact CB-CB 4.4Å; P99-P140 HydrophobicContact CG-CB 4.41Å; F103-P140 HydrophobicContact CE2-CB 3.97Å; F103-P140 HydrophobicContact CZ-CB 4.3Å
141G97Very high92.3Very high15 Ų1558.9 Ų58.916%0.15531%0.308CS..SBendtrans156.1160.817700000113.1N96 D97 F143N96-G141 PolarHBondContact ND2-O 3.38Å; D97-G141 PolarHBondContact O-N 3.45Å; G141-F143 PolarHBondContact O-N 3.4Å
142S97.3Very high94.5Very high29 Ų2959.3 Ų59.320%0.20331%0.309CS..  trans-71.2128.4175.8-179.80000111.3Y144 G145S142-Y144 PolarHBondContact O-N 2.63Å; S142-Y144 VanDerWaalsContact O-N 3.08Å; S142-Y144 PolarHBondContact OG-N 2.84Å; S142-G145 PolarHBondContact O-N 3.23Å; S142-G145 VanDerWaalsContact O-N 3.16Å
143F98Very high96.3Very high21 Ų2152.2 Ų52.29%0.09228%0.276CS..THydrogen-bonded Turntrans-70.413.1165.663.1-173.4000113.8L58 G141 G145 L147 L162 F215 R219L58-F143 HydrophobicContact CB-CB 4.44Å; L58-F143 HydrophobicContact CB-CD1 3.9Å; G141-F143 PolarHBondContact O-N 3.4Å; F143-G145 VanDerWaalsContact C-N 3.34Å; F143-L147 HydrophobicContact CB-CD1 4.16Å; F143-L162 HydrophobicContact CE1-CD2 4.35Å; F143-L162 HydrophobicContact CZ-CD2 4.48Å; F143-F215 HydrophobicContact CB-CD2 4.37Å; F143-F215 HydrophobicContact CB-CE2 4.43Å; F143-F215 HydrophobicContact CD1-CE2 4.46Å; F143-F215 HydrophobicContact CG-CD2 4.45Å; F143-F215 VanDerWaalsContact O-CD2 3.31Å; F143-F215 WeakPolarHBondContact O-CD2 3.15Å; F143-R219 VanDerWaalsContact C-NH2 3.34Å; F143-R219 PolarHBondContact O-NH2 3.37Å
144Y97.8Very high97.1Very high27 Ų2752.6 Ų52.611%0.10628%0.276CS..THydrogen-bonded Turntrans-99.618.2164.5-62.4-55.4000111.9S142 W164 S166 D211 V214 F215S142-Y144 PolarHBondContact O-N 2.63Å; S142-Y144 VanDerWaalsContact O-N 3.08Å; S142-Y144 PolarHBondContact OG-N 2.84Å; Y144-W164 VanDerWaalsContact CE2-O 3.29Å; Y144-W164 WeakPolarHBondContact CE2-O 3.49Å; Y144-W164 PolarHBondContact OH-O 3.4Å; Y144-S166 VanDerWaalsContact CD2-CB 3.43Å; Y144-D211 HydrophobicContact CD1-CB 3.95Å; Y144-D211 VanDerWaalsContact CD1-O 3.25Å; Y144-D211 WeakPolarHBondContact CD1-O 3.43Å; Y144-D211 HydrophobicContact CE1-CB 3.6Å; Y144-D211 WeakPolarHBondContact CE1-O 3.37Å; Y144-D211 HydrophobicContact CE2-CB 4.38Å; Y144-V214 WeakPolarHBondContact O-CG1 3.38Å; Y144-F215 HydrophobicContact CD1-CB 4.08Å; Y144-F215 HydrophobicContact CE1-CB 4.14Å
145G96.7Very high97.4Very high26 Ų2652.4 Ų52.427%0.26828%0.275SS..SBendtrans-141.1-168.8168.700000111.5S142 F143 R219S142-G145 PolarHBondContact O-N 3.23Å; S142-G145 VanDerWaalsContact O-N 3.16Å; F143-G145 VanDerWaalsContact C-N 3.34Å; G145-R219 PolarHBondContact O-NH1 3.48Å; G145-R219 PolarHBondContact O-NH2 3.27Å
146R98.2Very high97.6Very high98 Ų9847.8 Ų47.837%0.3726%0.255SS..  trans-78.9133.2172.4-71.4-69.8-58.1-77.7-1.8110.2F148 E221 E222R146-F148 PolarHBondContact NE-O 3.19Å; R146-F148 PolarHBondContact NH2-O 2.99Å; R146-E221 IonicContact CZ-OE2 2.67Å; R146-E221 IonicContact NH1-OE2 3.56Å; R146-E221 PolarHBondContact NH1-OE2 3.22Å; R146-E222 VanDerWaalsContact CA-OE1 3.3Å; R146-E222 WeakPolarHBondContact CA-OE1 3.47Å; R146-E222 WeakPolarHBondContact CD-OE1 3.47Å; R146-E222 IonicContact NE-OE1 3Å; R146-E222 PolarHBondContact NE-OE1 3.37Å; R146-E222 VanDerWaalsContact NE-OE1 3.16Å
147L98.7Very high97.8Very high36 Ų3647 Ų4719%0.18825%0.25CC..  trans-119.2-28.2178.5-66.2171.2000111.5L58 N96 V139 F143 E222L58-L147 HydrophobicContact CD2-CD1 4.15Å; N96-L147 HydrophobicContact CB-CD1 4.3Å; N96-L147 VanDerWaalsContact CG-CD1 3.47Å; N96-L147 WeakPolarHBondContact ND2-CD1 3.48Å; V139-L147 HydrophobicContact CG1-CB 4.23Å; V139-L147 HydrophobicContact CG1-CD2 4.28Å; F143-L147 HydrophobicContact CB-CD1 4.16Å; L147-E222 PolarHBondContact N-OE1 3.48Å
148F98.7Very high97.9Very high19 Ų1943.8 Ų43.88%0.08323%0.227CC..SBendtrans-125.7157-171.3-53.1-81.3000112.2A56 L58 S94 V139 R146 L153 E222A56-F148 HydrophobicContact CB-CE1 4.39Å; A56-F148 HydrophobicContact CB-CE2 3.95Å; A56-F148 HydrophobicContact CB-CZ 3.65Å; L58-F148 HydrophobicContact CD2-CE2 3.93Å; L58-F148 HydrophobicContact CD2-CZ 4.26Å; S94-F148 VanDerWaalsContact CB-CE1 3.48Å; V139-F148 HydrophobicContact CB-CE1 4.48Å; V139-F148 HydrophobicContact CG1-CE1 4.33Å; V139-F148 HydrophobicContact CG1-CZ 4.4Å; V139-F148 HydrophobicContact CG2-CE1 3.93Å; V139-F148 HydrophobicContact CG2-CZ 4.42Å; R146-F148 PolarHBondContact NE-O 3.19Å; R146-F148 PolarHBondContact NH2-O 2.99Å; F148-L153 HydrophobicContact CB-CD1 4.37Å; F148-L153 HydrophobicContact CB-CG 4.37Å; F148-L153 HydrophobicContact CD1-CD1 4.42Å; F148-L153 HydrophobicContact CD1-CD2 4.22Å; F148-L153 HydrophobicContact CD2-CD1 3.47Å; F148-L153 VanDerWaalsContact CD2-CD1 3.47Å; F148-L153 HydrophobicContact CD2-CG 4.28Å; F148-L153 HydrophobicContact CE1-CD2 4.44Å; F148-L153 HydrophobicContact CE2-CD1 3.78Å; F148-L153 HydrophobicContact CG-CD1 3.83Å; F148-L153 HydrophobicContact CG-CD2 4.34Å; F148-L153 HydrophobicContact CG-CG 4.12Å; F148-L153 HydrophobicContact CZ-CD1 4.37Å; F148-E222 HydrophobicContact CB-CB 4.23Å; F148-E222 HydrophobicContact CB-CG 3.95Å; F148-E222 HydrophobicContact CD2-CG 4.49Å; F148-E222 PolarHBondContact N-OE1 3.2Å
149P98.5Very high97.9Very high92 Ų9242 Ų4260%0.59721%0.211SC*.  trans-56.7163.4167.2-2435000112.5R151 S152P149-R151 PolarHBondContact O-N 2.76Å; P149-S152 PolarHBondContact O-OG 2.93Å
150R98.3Very high97.8Very high174 Ų17441.3 Ų41.366%0.65721%0.208SC*.THydrogen-bonded Turntrans-66.2137.8177.5-70.9-172.7173130.10.3110.5S152 E221R150-S152 PolarHBondContact O-N 2.75Å; R150-E221 CarbonylContact C-O 3.58Å; R150-E221 WeakPolarHBondContact CA-O 3.35Å; R150-E221 HydrophobicContact CG-CB 4.4Å; R150-E221 IonicContact CZ-OE2 3.26Å; R150-E221 VanDerWaalsContact CZ-OE2 3.31Å; R150-E221 IonicContact NE-OE2 3.92Å; R150-E221 PolarHBondContact NE-OE2 2.63Å; R150-E221 IonicContact NH2-OE2 3.27Å; R150-E221 PolarHBondContact NH2-OE2 2.87Å
151R96.3Very high97.8Very high174 Ų17437.9 Ų37.966%0.65719%0.186SC*.THydrogen-bonded Turntrans53.635.7174.4-56.2177.9-179.4179-2.4113.8P149 E221 E222 V224P149-R151 PolarHBondContact O-N 2.76Å; R151-E221 PolarHBondContact N-O 3.3Å; R151-E222 CarbonylContact C-O 3.56Å; R151-E222 VanDerWaalsContact CA-O 3.27Å; R151-E222 WeakPolarHBondContact CA-O 3.42Å; R151-E222 PolarHBondContact N-O 2.84Å; R151-V224 HydrophobicContact CB-CG1 4.14Å; R151-V224 WeakPolarHBondContact O-CG1 3.38Å
152S97.2Very high97.8Very high21 Ų2137.2 Ų37.215%0.14718%0.178CC..  trans-98.1-17.9178.861.40000113.6R92 P149 R150 E222R92-S152 PolarHBondContact NH2-O 3.27Å; P149-S152 PolarHBondContact O-OG 2.93Å; R150-S152 PolarHBondContact O-N 2.75Å; S152-E222 PolarHBondContact N-O 3.49Å
153L98.1Very high97.8Very high2 Ų236.2 Ų36.21%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-103.4147.6-179.5-62.4-177.4000111.5A56 F148 V156 E222 L223 V224A56-L153 HydrophobicContact CB-CD1 3.81Å; A56-L153 HydrophobicContact CB-CD2 4.08Å; F148-L153 HydrophobicContact CB-CD1 4.37Å; F148-L153 HydrophobicContact CB-CG 4.37Å; F148-L153 HydrophobicContact CD1-CD1 4.42Å; F148-L153 HydrophobicContact CD1-CD2 4.22Å; F148-L153 HydrophobicContact CD2-CD1 3.47Å; F148-L153 VanDerWaalsContact CD2-CD1 3.47Å; F148-L153 HydrophobicContact CD2-CG 4.28Å; F148-L153 HydrophobicContact CE1-CD2 4.44Å; F148-L153 HydrophobicContact CE2-CD1 3.78Å; F148-L153 HydrophobicContact CG-CD1 3.83Å; F148-L153 HydrophobicContact CG-CD2 4.34Å; F148-L153 HydrophobicContact CG-CG 4.12Å; F148-L153 HydrophobicContact CZ-CD1 4.37Å; L153-V156 HydrophobicContact CD1-CG2 3.75Å; L153-E222 HydrophobicContact CD1-CB 4.31Å; L153-E222 PolarHBondContact N-O 3.47Å; L153-L223 HydrophobicContact CB-CD2 3.9Å; L153-L223 HydrophobicContact CB-CG 4.4Å; L153-L223 WeakPolarHBondContact O-CA 3.27Å; L153-V224 PolarHBondContact O-N 3.5Å
154H97.7Very high97.8Very high22 Ų2236 Ų3610%0.10217%0.169CC..EExtended strand (participates in β ladder)trans-115.8-35.1176.2-59.868.8000110.8L43 S52 I53 G54 G227 R228L43-H154 HydrophobicContact CD2-CB 4.14Å; S52-H154 PolarHBondContact O-CE1 3.48Å; S52-H154 VanDerWaalsContact O-CE1 3.3Å; I53-H154 HydrophobicContact CG2-CB 3.87Å; G54-H154 PolarHBondContact N-ND1 3.04Å; G54-H154 PolarHBondContact O-N 3.33Å; H154-G227 CarbonylContact O-C 3.58Å; H154-G227 VanDerWaalsContact O-CA 3.27Å; H154-G227 WeakPolarHBondContact O-CA 3.13Å; H154-R228 PolarHBondContact O-N 3.48Å
155F98.2Very high97.8Very high0 Ų034.8 Ų34.80%017%0.165CC..EExtended strand (participates in β ladder)trans-134.1133.8179.2-164.3-103.4000110.8M36 A39 L40 L43 G54 I55 A56 I73 H157 R228 V230M36-F155 HydrophobicContact CG-CE1 4.11Å; M36-F155 HydrophobicContact CG-CZ 3.85Å; A39-F155 HydrophobicContact CB-CE2 3.98Å; L40-F155 HydrophobicContact CD2-CB 4.36Å; L40-F155 HydrophobicContact CD2-CD1 3.97Å; L40-F155 HydrophobicContact CD2-CD2 3.68Å; L40-F155 HydrophobicContact CD2-CE1 4.14Å; L40-F155 HydrophobicContact CD2-CE2 3.88Å; L40-F155 HydrophobicContact CD2-CG 3.73Å; L40-F155 HydrophobicContact CD2-CZ 4.11Å; L40-F155 HydrophobicContact CG-CD2 4.29Å; L40-F155 HydrophobicContact CG-CE1 4.35Å; L40-F155 HydrophobicContact CG-CE2 3.97Å; L40-F155 HydrophobicContact CG-CZ 4.01Å; L43-F155 HydrophobicContact CD2-CB 4.03Å; L43-F155 HydrophobicContact CD2-CD2 4.22Å; G54-F155 PolarHBondContact O-N 2.94Å; G54-F155 VanDerWaalsContact O-N 3.12Å; I55-F155 WeakPolarHBondContact CA-O 3.38Å; I55-F155 HydrophobicContact CG1-CB 4.46Å; A56-F155 PolarHBondContact N-O 3.35Å; I73-F155 HydrophobicContact CD1-CD1 4.13Å; I73-F155 HydrophobicContact CD1-CE1 3.97Å; I73-F155 HydrophobicContact CG1-CE1 4.18Å; F155-H157 HydrophobicContact CE1-CB 4.15Å; F155-R228 CarbonylContact C-O 3.51Å; F155-R228 WeakPolarHBondContact CA-O 3.38Å; F155-R228 HydrophobicContact CD2-CB 4.04Å; F155-R228 HydrophobicContact CE2-CB 4.2Å; F155-V230 HydrophobicContact CE2-CG2 4.05Å; F155-V230 HydrophobicContact CZ-CB 4.08Å; F155-V230 HydrophobicContact CZ-CG2 3.75Å
156V98.7Very high97.7Very high0 Ų035.2 Ų35.20%016%0.164CC..EExtended strand (participates in β ladder)trans-120.6128.7171.9168.80000108.4A56 L58 L153 L223 R228 M229 V230A56-V156 HydrophobicContact CB-CG2 4.44Å; A56-V156 CarbonylContact O-C 3.58Å; A56-V156 WeakPolarHBondContact O-CA 3.3Å; L58-V156 HydrophobicContact CD1-CG1 3.52Å; L58-V156 HydrophobicContact CG-CG1 3.9Å; L153-V156 HydrophobicContact CD1-CG2 3.75Å; V156-L223 HydrophobicContact CG2-CD1 4.24Å; V156-L223 HydrophobicContact CG2-CD2 3.99Å; V156-L223 HydrophobicContact CG2-CG 4.22Å; V156-R228 PolarHBondContact N-O 2.82Å; V156-M229 HydrophobicContact CB-CB 4.22Å; V156-M229 HydrophobicContact CB-CG 3.86Å; V156-M229 HydrophobicContact CB-SD 4.11Å; V156-M229 HydrophobicContact CG1-CG 4.36Å; V156-M229 HydrophobicContact CG1-SD 4.12Å; V156-M229 HydrophobicContact CG2-SD 4.48Å; V156-M229 CarbonylContact O-C 3.44Å; V156-M229 WeakPolarHBondContact O-CA 3.49Å; V156-V230 PolarHBondContact O-N 3.46Å
157H98.6Very high97.5Very high5 Ų534.9 Ų34.92%0.02317%0.166CC..EExtended strand (participates in β ladder)trans-111.8148.8169.5178.6-95.6000109.2A56 D57 L58 S69 I73 F155 V230A56-H157 PolarHBondContact O-N 2.86Å; D57-H157 WeakPolarHBondContact CA-O 3.27Å; D57-H157 IonicContact OD1-CE1 3.44Å; D57-H157 IonicContact OD1-CG 3.26Å; D57-H157 IonicContact OD1-ND1 2.73Å; D57-H157 PolarHBondContact OD1-ND1 2.92Å; L58-H157 PolarHBondContact N-O 3.09Å; S69-H157 PolarHBondContact OG-CE1 2.83Å; S69-H157 VanDerWaalsContact OG-CE1 3.3Å; I73-H157 HydrophobicContact CD1-CB 3.96Å; F155-H157 HydrophobicContact CE1-CB 4.15Å; H157-V230 WeakPolarHBondContact CA-O 3.3Å
158S98.4Very high97.2Very high0 Ų034.5 Ų34.50%017%0.165CC..EExtended strand (participates in β ladder)trans-154.4126.5170.7173.90000107.9L58 S161 V230 L231 S232L58-S158 PolarHBondContact O-OG 3.15Å; L58-S158 VanDerWaalsContact O-OG 3.07Å; S158-S161 PolarHBondContact OG-OG 3.47Å; S158-V230 PolarHBondContact N-O 3.36Å; S158-L231 CarbonylContact O-C 3.59Å; S158-L231 WeakPolarHBondContact O-CA 3.49Å; S158-S232 PolarHBondContact O-N 3.38Å; S158-S232 PolarHBondContact O-OG 3Å
159S97.6Very high96.9Very high14 Ų1433.7 Ų33.710%0.09816%0.162CC..EExtended strand (participates in β ladder)trans-129.7131.9176.3-167.40000111.3I28 S161 S232I28-S159 WeakPolarHBondContact CG2-OG 3.4Å; S159-S161 VanDerWaalsContact C-N 3.27Å; S159-S161 PolarHBondContact O-N 2.87Å; S159-S232 CarbonylContact C-O 3.55Å; S159-S232 VanDerWaalsContact CA-O 3.28Å; S159-S232 WeakPolarHBondContact CA-O 3.49Å; S159-S232 WeakPolarHBondContact CA-OG 3.35Å; S159-S232 VanDerWaalsContact CB-OG 3.25Å; S159-S232 WeakPolarHBondContact CB-OG 3.21Å; S159-S232 PolarHBondContact OG-OG 2.71Å
160S96.3Very high96Very high13 Ų1331.8 Ų31.89%0.09115%0.15CC..SBendtrans55.335.3176.1-54.10000114.7I28 H163 S232I28-S160 WeakPolarHBondContact CD1-OG 3.28Å; S160-H163 PolarHBondContact O-CE1 3.45Å; S160-H163 PolarHBondContact O-NE2 3.14Å; S160-S232 PolarHBondContact N-O 3.31Å
161S97.2Very high94.6Very high8 Ų827 Ų276%0.05613%0.132CC..  trans-129.3-31.5-177.856.80000115.5L58 S158 S159 H163 W164L58-S161 PolarHBondContact O-OG 2.99Å; S158-S161 PolarHBondContact OG-OG 3.47Å; S159-S161 VanDerWaalsContact C-N 3.27Å; S159-S161 PolarHBondContact O-N 2.87Å; S161-H163 PolarHBondContact O-N 3.2Å; S161-H163 VanDerWaalsContact O-N 3.15Å; S161-W164 WeakPolarHBondContact O-CB 3.39Å; S161-W164 PolarHBondContact O-N 2.74Å; S161-W164 VanDerWaalsContact O-N 3.08Å
162L97.7Very high92.9Very high0 Ų025.8 Ų25.80%013%0.134CC..THydrogen-bonded Turntrans-71.6-8.1-174.9-83.5170.1000116.6F143 W164 F212 F215 L231 F233F143-L162 HydrophobicContact CE1-CD2 4.35Å; F143-L162 HydrophobicContact CZ-CD2 4.48Å; L162-W164 VanDerWaalsContact C-N 3.29Å; L162-F212 HydrophobicContact CD1-CE2 4.17Å; L162-F212 HydrophobicContact CD2-CD2 4.4Å; L162-F215 HydrophobicContact CD1-CE1 4.17Å; L162-F215 HydrophobicContact CD1-CZ 4.11Å; L162-F215 HydrophobicContact CD2-CD1 4.18Å; L162-F215 HydrophobicContact CD2-CD2 3.67Å; L162-F215 HydrophobicContact CD2-CE1 4.32Å; L162-F215 HydrophobicContact CD2-CE2 3.82Å; L162-F215 HydrophobicContact CD2-CG 3.88Å; L162-F215 HydrophobicContact CD2-CZ 4.15Å; L162-L231 HydrophobicContact CD1-CB 4.02Å; L162-L231 HydrophobicContact CD1-CD1 3.76Å; L162-L231 HydrophobicContact CD1-CD2 3.9Å; L162-L231 HydrophobicContact CD1-CG 4.09Å; L162-F233 HydrophobicContact CB-CB 4.27Å; L162-F233 HydrophobicContact CB-CD1 3.8Å; L162-F233 HydrophobicContact CB-CD2 4.43Å; L162-F233 HydrophobicContact CB-CE1 4.23Å; L162-F233 HydrophobicContact CB-CG 3.92Å; L162-F233 HydrophobicContact CD1-CD1 4.02Å; L162-F233 HydrophobicContact CD1-CE1 4Å
163H97.3Very high90.7Very high8 Ų827.4 Ų27.44%0.03715%0.149CC..THydrogen-bonded Turntrans-80.1-11.517149.2-101.9000112.6S160 S161 L234 Y278 Y279S160-H163 PolarHBondContact O-CE1 3.45Å; S160-H163 PolarHBondContact O-NE2 3.14Å; S161-H163 PolarHBondContact O-N 3.2Å; S161-H163 VanDerWaalsContact O-N 3.15Å; H163-L234 WeakPolarHBondContact CE1-CD1 3.24Å; H163-L234 PolarHBondContact ND1-N 3.47Å; H163-Y278 HydrophobicContact CB-CD2 4.27Å; H163-Y278 HydrophobicContact CB-CE2 3.84Å; H163-Y278 AromaticContact CD2-CD2 3.59Å; H163-Y278 AromaticContact CD2-CE2 3.24Å; H163-Y278 WeakPolarHBondContact CD2-CE2 3.28Å; H163-Y278 AromaticContact CG-CE2 3.66Å; H163-Y278 CarbonylContact O-C 3.48Å; H163-Y278 VanDerWaalsContact O-CA 3.32Å; H163-Y278 WeakPolarHBondContact O-CA 3.43Å; H163-Y279 WeakPolarHBondContact CB-O 3.27Å; H163-Y279 PolarHBondContact O-N 3.07Å
164W97.5Very high88.2Confident18 Ų1835.7 Ų35.77%0.06819%0.187CC..BIsolated β-bridgetrans-83117.3174-65.6112.7000111L7 Y144 S161 L162 W250 P277 Y278 V342 V343 M346L7-W164 HydrophobicContact CD1-CD2 3.8Å; L7-W164 HydrophobicContact CD1-CE3 3.76Å; L7-W164 HydrophobicContact CD1-CG 4.28Å; L7-W164 HydrophobicContact CD1-CZ3 4.14Å; L7-W164 HydrophobicContact CD2-CB 3.73Å; L7-W164 HydrophobicContact CD2-CD2 4.21Å; L7-W164 HydrophobicContact CD2-CE3 4.39Å; L7-W164 HydrophobicContact CD2-CG 3.93Å; Y144-W164 VanDerWaalsContact CE2-O 3.29Å; Y144-W164 WeakPolarHBondContact CE2-O 3.49Å; Y144-W164 PolarHBondContact OH-O 3.4Å; S161-W164 WeakPolarHBondContact O-CB 3.39Å; S161-W164 PolarHBondContact O-N 2.74Å; S161-W164 VanDerWaalsContact O-N 3.08Å; L162-W164 VanDerWaalsContact C-N 3.29Å; W164-W250 HydrophobicContact CH2-CH2 4.29Å; W164-W250 AromaticContact CH2-CZ2 3.91Å; W164-W250 HydrophobicContact CH2-CZ2 3.91Å; W164-W250 HydrophobicContact CZ3-CH2 4.41Å; W164-W250 HydrophobicContact CZ3-CZ2 4.07Å; W164-P277 CarbonylContact C-O 3.55Å; W164-P277 WeakPolarHBondContact CA-O 3.33Å; W164-Y278 HydrophobicContact CE3-CD2 4.28Å; W164-Y278 HydrophobicContact CH2-CD2 4.21Å; W164-Y278 HydrophobicContact CZ3-CD2 4.1Å; W164-V342 HydrophobicContact CH2-CG1 3.97Å; W164-V342 HydrophobicContact CZ2-CG1 3.48Å; W164-V342 VanDerWaalsContact CZ2-CG1 3.48Å; W164-V343 HydrophobicContact CH2-CG1 4.44Å; W164-M346 HydrophobicContact CE3-CE 4.48Å; W164-M346 HydrophobicContact CE3-SD 4.5Å; W164-M346 HydrophobicContact CH2-CE 3.49Å; W164-M346 VanDerWaalsContact CH2-CE 3.49Å; W164-M346 HydrophobicContact CH2-SD 4.48Å; W164-M346 HydrophobicContact CZ2-CE 4.44Å; W164-M346 HydrophobicContact CZ3-CE 3.5Å; W164-M346 HydrophobicContact CZ3-SD 3.92Å
165L97.3Very high85.6Confident1 Ų144.9 Ų44.91%0.00523%0.227CC..  trans-72.6157.6-179.4-57.6177.8000112.1Q167 P169 Y204 Q207 F208 D211 P277L165-Q167 WeakPolarHBondContact CB-O 3.34Å; L165-Q167 PolarHBondContact O-N 3.38Å; L165-P169 HydrophobicContact CD1-CG 3.78Å; L165-Y204 HydrophobicContact CD1-CD1 3.99Å; L165-Y204 HydrophobicContact CD1-CE1 4.26Å; L165-Q207 HydrophobicContact CB-CG 4.2Å; L165-Q207 HydrophobicContact CD1-CB 4.23Å; L165-Q207 HydrophobicContact CD1-CG 3.89Å; L165-Q207 HydrophobicContact CD2-CG 4.38Å; L165-Q207 HydrophobicContact CG-CG 4.39Å; L165-F208 HydrophobicContact CD2-CB 3.9Å; L165-F208 HydrophobicContact CD2-CD2 4.23Å; L165-D211 WeakPolarHBondContact CA-OD2 3.35Å; L165-P277 HydrophobicContact CB-CB 4.21Å; L165-P277 PolarHBondContact N-O 2.87Å
166S95.7Very high83.1Confident35 Ų3553.7 Ų53.725%0.24527%0.268CS..SBendtrans-67-26.5177.368.60000112.9Y144 Q207 D211Y144-S166 VanDerWaalsContact CD2-CB 3.43Å; S166-Q207 PolarHBondContact OG-NE2 3.33Å; S166-D211 VanDerWaalsContact CB-OD1 3.26Å; S166-D211 WeakPolarHBondContact CB-OD1 3.26Å; S166-D211 PolarHBondContact N-OD2 3.42Å; S166-D211 PolarHBondContact OG-OD1 3.16Å; S166-D211 PolarHBondContact OG-OD2 2.98Å
167Q94.2Very high80.3Confident91 Ų9159.8 Ų59.843%0.42530%0.301SS..SBendtrans-153.9164.6178.657.4179.878.500110.7L165 Q207L165-Q167 WeakPolarHBondContact CB-O 3.34Å; L165-Q167 PolarHBondContact O-N 3.38Å; Q167-Q207 HydrophobicContact CG-CG 4.45Å
168V92.4Very high77.5Confident28 Ų2871.4 Ų71.417%0.1734%0.344CS..  trans-62.5133.1166.4-178.60000108.3M1 C170 N275 P277M1-V168 HydrophobicContact CB-CG2 4.09Å; V168-C170 PolarHBondContact O-N 3.01Å; V168-N275 HydrophobicContact CG1-CB 3.58Å; V168-N275 WeakPolarHBondContact CG1-O 3.45Å; V168-N275 VanDerWaalsContact CG2-O 3.26Å; V168-N275 WeakPolarHBondContact CG2-O 3.38Å; V168-P277 HydrophobicContact CG2-CB 4.31Å
169P91.2Very high74.6Confident1 Ų176.1 Ų76.11%0.00637%0.373CS..  trans-60136.2177.3-22.632.6000111.4L165 L184 A203 Y204 Q207L165-P169 HydrophobicContact CD1-CG 3.78Å; P169-L184 HydrophobicContact CB-CD1 4.34Å; P169-L184 WeakPolarHBondContact O-CD1 3.16Å; P169-A203 HydrophobicContact CB-CB 3.99Å; P169-Y204 HydrophobicContact CB-CD2 4.37Å; P169-Y204 HydrophobicContact CB-CG 4.36Å; P169-Y204 HydrophobicContact CG-CD1 3.46Å; P169-Y204 VanDerWaalsContact CG-CD1 3.46Å; P169-Y204 HydrophobicContact CG-CD2 3.95Å; P169-Y204 HydrophobicContact CG-CE1 3.58Å; P169-Y204 HydrophobicContact CG-CE2 4.08Å; P169-Y204 HydrophobicContact CG-CG 3.64Å; P169-Q207 HydrophobicContact CB-CB 4.2Å; P169-Q207 HydrophobicContact CG-CB 4.1Å; P169-Q207 HydrophobicContact CG-CG 4.31Å
170C80.3Confident71.9Confident52 Ų5281.6 Ų81.635%0.35140%0.4SS..  trans-110.4147.6171.7-67.20000108.9V168 E172V168-C170 PolarHBondContact O-N 3.01Å; C170-E172 PolarHBondContact O-N 2.57Å
171R69.5Low69.6Low73 Ų7385.4 Ų85.428%0.27542%0.423SS..  trans-57.7134.5166.9-97.5-177.6154.9127.9-12.9109.5A173 D183 L184 E185 S199R171-A173 PolarHBondContact O-N 3Å; R171-D183 PolarHBondContact NH1-O 2.72Å; R171-D183 VanDerWaalsContact NH1-O 3.13Å; R171-L184 HydrophobicContact CG-CD2 4.22Å; R171-E185 IonicContact CZ-OE2 3.89Å; R171-E185 VanDerWaalsContact CZ-OE2 3.26Å; R171-E185 IonicContact NH1-OE1 2.78Å; R171-E185 IonicContact NH1-OE2 3.37Å; R171-E185 PolarHBondContact NH1-OE2 2.94Å; R171-E185 IonicContact NH2-OE2 2.91Å; R171-E185 PolarHBondContact NH2-OE2 3.39Å; R171-S199 PolarHBondContact NH2-OG 2.77Å; R171-S199 VanDerWaalsContact NH2-OG 3.08Å
172E59.8Low67.6Low149 Ų14987.8 Ų87.870%0.69644%0.443SS*.  trans-61.1131.8162.6-69.1-170.2141.700107.8C170 E174 L206C170-E172 PolarHBondContact O-N 2.57Å; E172-E174 PolarHBondContact O-N 2.84Å; E172-L206 HydrophobicContact CG-CD2 3.86Å; E172-L206 WeakPolarHBondContact OE1-CD2 3.24Å
173A50.3Low66.3Low56 Ų5691.3 Ų91.346%0.46346%0.462SS..  trans-60.9111.9171.700000107.9R171 K175R171-A173 PolarHBondContact O-N 3Å; A173-K175 PolarHBondContact O-N 3.48Å
174E46.1Very low65.6Low176 Ų17691 Ų9182%0.82246%0.461SS*.  trans-56.3130.9162.8-70.5-171.5170.900106.6E172 E176 D177E172-E174 PolarHBondContact O-N 2.84Å; E174-E176 PolarHBondContact O-N 2.71Å; E174-D177 PolarHBondContact O-N 2.96Å
175K44Very low64.9Low214 Ų21495.1 Ų95.193%0.9348%0.481SS*.THydrogen-bonded Turntrans-54.4-5.3-165.3-77-179.6175.9175.60115.9A173A173-K175 PolarHBondContact O-N 3.48Å
176E44.8Very low64.5Low186 Ų18695.1 Ų95.187%0.86948%0.481SS*.THydrogen-bonded Turntrans-99-18.9-172.2-75.8-178154.700115.1E174E174-E176 PolarHBondContact O-N 2.71Å
177D39.8Very low64.4Low127 Ų12798.8 Ų98.868%0.67950%0.495SS*.  trans-133.5118.6173.2-98.5-33.4000112.9E174 T179E174-D177 PolarHBondContact O-N 2.96Å; D177-T179 PolarHBondContact O-N 3.49Å
178R40.6Very low64.4Low250 Ų25095 Ų9594%0.94348%0.48SS*.  trans-72.611.5-176.2-70.3-178176.5172-0.7114.1I180R178-I180 PolarHBondContact O-N 2.93Å
179T36.4Very low64.5Low99 Ų9995.1 Ų95.161%0.60748%0.479SS*.  trans-88.8100.9168.528.90000108.6D177 T181D177-T179 PolarHBondContact O-N 3.49Å; T179-T181 PolarHBondContact O-N 3.21Å
180I42.3Very low64.7Low128 Ų12895.1 Ų95.166%0.65648%0.478SS*.  trans-63.886.8162.4-56.5172.2000106.1R178 A182R178-I180 PolarHBondContact O-N 2.93Å; I180-A182 PolarHBondContact O-N 2.96Å
181T46.7Very low65.4Low93 Ų9393 Ų9357%0.57146%0.463SS*.  trans-76.2106.8159.848.70000105.3T179 D183T179-T181 PolarHBondContact O-N 3.21Å; T181-D183 PolarHBondContact O-N 2.73Å
182A55.2Low66.6Low59 Ų5990 Ų9049%0.48845%0.453SS..  trans-65.36.8175.600000112.8I180 L184I180-A182 PolarHBondContact O-N 2.96Å; A182-L184 PolarHBondContact O-N 2.91Å
183D71Confident68.2Low74 Ų7483.5 Ų83.540%0.39642%0.423SS..  trans-84.9111.5-172.8-161.3-15.4000110.4R171 T181 E185R171-D183 PolarHBondContact NH1-O 2.72Å; R171-D183 VanDerWaalsContact NH1-O 3.13Å; T181-D183 PolarHBondContact O-N 2.73Å; D183-E185 PolarHBondContact O-N 3.08Å; D183-E185 WeakPolarHBondContact OD1-CA 3.32Å; D183-E185 PolarHBondContact OD1-N 3.15Å
184L82.7Confident70.3Confident1 Ų188.1 Ų88.11%0.00543%0.433CS..  trans-71.8-5.6173.8-64.7177000112P169 R171 A182 N186 P197 A200 A203 Y204 N275P169-L184 HydrophobicContact CB-CD1 4.34Å; P169-L184 WeakPolarHBondContact O-CD1 3.16Å; R171-L184 HydrophobicContact CG-CD2 4.22Å; A182-L184 PolarHBondContact O-N 2.91Å; L184-N186 HydrophobicContact CB-CB 4.25Å; L184-N186 PolarHBondContact O-N 3.46Å; L184-P197 WeakPolarHBondContact O-CG 3.43Å; L184-A200 HydrophobicContact CB-CB 4.15Å; L184-A203 HydrophobicContact CD2-CB 3.68Å; L184-Y204 HydrophobicContact CD1-CD2 4.32Å; L184-Y204 HydrophobicContact CD1-CE2 3.77Å; L184-N275 HydrophobicContact CD1-CB 4.26Å
185E83.9Confident72.5Confident105 Ų10584.7 Ų84.749%0.49142%0.424SS..  trans5338.3-172.2-62.3166.5156.700110.8R171 D183 M187 P197R171-E185 IonicContact CZ-OE2 3.89Å; R171-E185 VanDerWaalsContact CZ-OE2 3.26Å; R171-E185 IonicContact NH1-OE1 2.78Å; R171-E185 IonicContact NH1-OE2 3.37Å; R171-E185 PolarHBondContact NH1-OE2 2.94Å; R171-E185 IonicContact NH2-OE2 2.91Å; R171-E185 PolarHBondContact NH2-OE2 3.39Å; D183-E185 PolarHBondContact O-N 3.08Å; D183-E185 WeakPolarHBondContact OD1-CA 3.32Å; D183-E185 PolarHBondContact OD1-N 3.15Å; E185-M187 PolarHBondContact O-N 3.38Å; E185-P197 HydrophobicContact CB-CG 4.46Å
186N88.4Confident74.9Confident1 Ų175 Ų751%0.00538%0.383CS..  trans-85.653.5-175.5-161.625.3000111.3L184 G188 K189 Y191 S196 N275L184-N186 HydrophobicContact CB-CB 4.25Å; L184-N186 PolarHBondContact O-N 3.46Å; N186-G188 PolarHBondContact O-N 3.26Å; N186-K189 WeakPolarHBondContact O-CB 3.43Å; N186-K189 PolarHBondContact O-N 3.29Å; N186-K189 WeakPolarHBondContact OD1-CB 3.36Å; N186-Y191 PolarHBondContact ND2-O 2.65Å; N186-S196 WeakPolarHBondContact OD1-CB 3.29Å; N186-S196 PolarHBondContact OD1-OG 2.77Å; N186-N275 WeakPolarHBondContact CB-OD1 3.42Å; N186-N275 PolarHBondContact ND2-OD1 2.93Å
187M92.6Very high77.1Confident112 Ų11267.9 Ų67.955%0.55235%0.353SS*.THydrogen-bonded Turntrans-56.3127.8-167.1-53.4-55.9-69.200112.8E185 K189 D272E185-M187 PolarHBondContact O-N 3.38Å; M187-K189 PolarHBondContact O-N 2.8Å; M187-D272 WeakPolarHBondContact CA-OD1 3.44Å; M187-D272 HydrophobicContact CE-CB 4.04Å; M187-D272 WeakPolarHBondContact CE-OD2 3.36Å; M187-D272 HydrophobicContact SD-CB 4.11Å
188G94Very high79.6Confident10 Ų1069.8 Ų69.810%0.10336%0.356CS..THydrogen-bonded Turntrans64.915.1-179.500000114.4N186 D272N186-G188 PolarHBondContact O-N 3.26Å; G188-D272 PolarHBondContact N-OD1 3.09Å
189K94.9Very high82Confident32 Ų3259.5 Ų59.514%0.13932%0.322CS..  trans-127.9151-179.5-56.6-60.2175.9-1650109.9N186 M187 S193 T195 E251N186-K189 WeakPolarHBondContact O-CB 3.43Å; N186-K189 PolarHBondContact O-N 3.29Å; N186-K189 WeakPolarHBondContact OD1-CB 3.36Å; M187-K189 PolarHBondContact O-N 2.8Å; K189-S193 WeakPolarHBondContact CE-OG 3.37Å; K189-T195 WeakPolarHBondContact CE-OG1 3.43Å; K189-E251 WeakPolarHBondContact CD-OE2 3.37Å; K189-E251 VanDerWaalsContact NZ-CD 3.35Å; K189-E251 IonicContact NZ-OE1 3.09Å; K189-E251 PolarHBondContact NZ-OE1 3.23Å; K189-E251 IonicContact NZ-OE2 3.46Å; K189-E251 PolarHBondContact NZ-OE2 2.82Å
190I95.2Very high84.6Confident1 Ų154.8 Ų54.81%0.00529%0.293CS..SBendtrans-112.5-0.6177.465.1-174.1000113.1W250 L253 A254 L257 I271 F274 A276I190-W250 HydrophobicContact CD1-CE3 3.66Å; I190-W250 HydrophobicContact CD1-CZ3 4.23Å; I190-W250 HydrophobicContact CG1-CB 4.39Å; I190-W250 HydrophobicContact CG1-CE3 3.92Å; I190-L253 HydrophobicContact CD1-CB 3.95Å; I190-L253 HydrophobicContact CD1-CD2 3.75Å; I190-L253 HydrophobicContact CD1-CG 3.73Å; I190-A254 HydrophobicContact CD1-CB 4.36Å; I190-A254 HydrophobicContact CG1-CB 4.13Å; I190-L257 HydrophobicContact CD1-CD1 4.1Å; I190-L257 HydrophobicContact CG2-CD1 3.84Å; I190-I271 HydrophobicContact CG2-CG2 4.1Å; I190-F274 WeakPolarHBondContact CA-O 3.39Å; I190-F274 HydrophobicContact CB-CD1 3.72Å; I190-F274 HydrophobicContact CB-CE1 4.15Å; I190-F274 HydrophobicContact CG2-CD1 3.73Å; I190-F274 HydrophobicContact CG2-CE1 4.46Å; I190-F274 HydrophobicContact CG2-CG 4.5Å; I190-A276 WeakPolarHBondContact O-CB 3.48Å; I190-A276 PolarHBondContact O-N 2.94Å
191Y95.5Very high87Confident6 Ų650.5 Ų50.52%0.02427%0.27CS..SBendtrans-158.4179.5177.8179.9-122.8000109N186 S193 Y204 S246 W250 Y278 A280N186-Y191 PolarHBondContact ND2-O 2.65Å; Y191-S193 PolarHBondContact O-N 2.84Å; Y191-Y204 HydrophobicContact CD2-CD1 4.18Å; Y191-Y204 AromaticContact CD2-CE1 3.58Å; Y191-Y204 HydrophobicContact CD2-CE1 3.58Å; Y191-Y204 HydrophobicContact CD2-CE2 4.48Å; Y191-Y204 AromaticContact CD2-CZ 3.76Å; Y191-Y204 AromaticContact CE2-CD1 3.75Å; Y191-Y204 HydrophobicContact CE2-CD1 3.75Å; Y191-Y204 AromaticContact CE2-CE1 3.61Å; Y191-Y204 HydrophobicContact CE2-CE1 3.61Å; Y191-Y204 HydrophobicContact CE2-CG 4.44Å; Y191-S246 WeakPolarHBondContact CE1-O 3.35Å; Y191-W250 HydrophobicContact CD1-CB 4.01Å; Y191-W250 AromaticContact CD1-CD1 3.61Å; Y191-W250 HydrophobicContact CD1-CG 4Å; Y191-W250 HydrophobicContact CG-CB 4.21Å; Y191-W250 AromaticContact CG-CD1 3.95Å; Y191-W250 HydrophobicContact CG-CG 4.09Å; Y191-Y278 HydrophobicContact CD2-CD1 4.42Å; Y191-Y278 HydrophobicContact CE1-CD1 4.15Å; Y191-Y278 HydrophobicContact CE1-CE1 4.36Å; Y191-Y278 AromaticContact CE2-CD1 3.98Å; Y191-Y278 HydrophobicContact CE2-CD1 3.98Å; Y191-Y278 WeakPolarHBondContact CE2-O 3.24Å; Y191-Y278 AromaticContact CZ-CD1 3.8Å; Y191-A280 PolarHBondContact OH-N 2.84Å
192I94.6Very high89.3Confident12 Ų1253.4 Ų53.46%0.06228%0.275CS..  trans-54.3128.2173.9-68.3164.7000110.7Y204 P241 T242 Y279I192-Y204 VanDerWaalsContact CD1-CB 3.45Å; I192-Y204 HydrophobicContact CD1-CD1 4.18Å; I192-Y204 HydrophobicContact CD1-CD2 3.91Å; I192-Y204 HydrophobicContact CD1-CG 3.58Å; I192-Y204 HydrophobicContact CG1-CD1 4.49Å; I192-Y204 HydrophobicContact CG1-CD2 3.62Å; I192-Y204 HydrophobicContact CG1-CE2 4.13Å; I192-Y204 HydrophobicContact CG1-CG 3.83Å; I192-P241 HydrophobicContact CD1-CB 4.33Å; I192-P241 HydrophobicContact CG2-CB 4.14Å; I192-P241 HydrophobicContact CG2-CG 4.23Å; I192-T242 HydrophobicContact CG2-CG2 3.94Å; I192-Y279 HydrophobicContact CD1-CD2 3.98Å; I192-Y279 HydrophobicContact CD1-CE2 3.69Å
193S93.9Very high91.2Very high11 Ų1151.2 Ų51.28%0.07726%0.256CS..  trans-134.9168.6174.5-174.60000110.8K189 Y191 T195 S196 H201 T242 E251K189-S193 WeakPolarHBondContact CE-OG 3.37Å; Y191-S193 PolarHBondContact O-N 2.84Å; S193-T195 PolarHBondContact O-N 3.25Å; S193-S196 WeakPolarHBondContact CB-OG 3.44Å; S193-S196 PolarHBondContact N-OG 3.07Å; S193-S196 WeakPolarHBondContact O-CB 3.42Å; S193-S196 PolarHBondContact O-N 3.09Å; S193-S196 VanDerWaalsContact O-N 3.13Å; S193-S196 PolarHBondContact O-OG 3.3Å; S193-H201 PolarHBondContact O-NE2 2.66Å; S193-H201 VanDerWaalsContact O-NE2 3.1Å; S193-T242 WeakPolarHBondContact O-CG2 3.36Å; S193-E251 VanDerWaalsContact CB-OE2 3.24Å; S193-E251 WeakPolarHBondContact CB-OE2 3.48Å; S193-E251 PolarHBondContact OG-OE2 3.32Å
194K93Very high92.3Very high153 Ų15347.7 Ų47.767%0.66524%0.238SC*.THydrogen-bonded Turntrans-59.4-28.4173.4-70.7-179.5179.41720112.6
195T93.4Very high93Very high104 Ų10448.3 Ų48.364%0.63824%0.243SC*.THydrogen-bonded Turntrans-94.6-5.7179.461.80000113.2K189 S193K189-T195 WeakPolarHBondContact CE-OG1 3.43Å; S193-T195 PolarHBondContact O-N 3.25Å
196S93.3Very high93.6Very high10 Ų1046.4 Ų46.47%0.0724%0.236CC..SBendtrans-69147.1177.2-54.50000110.6N186 S193N186-S196 WeakPolarHBondContact OD1-CB 3.29Å; N186-S196 PolarHBondContact OD1-OG 2.77Å; S193-S196 WeakPolarHBondContact CB-OG 3.44Å; S193-S196 PolarHBondContact N-OG 3.07Å; S193-S196 WeakPolarHBondContact O-CB 3.42Å; S193-S196 PolarHBondContact O-N 3.09Å; S193-S196 VanDerWaalsContact O-N 3.13Å; S193-S196 PolarHBondContact O-OG 3.3Å
197P92.7Very high94Very high37 Ų3747.5 Ų47.524%0.2424%0.241CC..  trans-66.4149.1177.228.6-34.5000111L184 E185 S199 A200 H201L184-P197 WeakPolarHBondContact O-CG 3.43Å; E185-P197 HydrophobicContact CB-CG 4.46Å; P197-S199 WeakPolarHBondContact CB-OG 3.35Å; P197-S199 PolarHBondContact O-N 2.84Å; P197-S199 VanDerWaalsContact O-N 3.11Å; P197-A200 HydrophobicContact CG-CB 4.06Å; P197-A200 WeakPolarHBondContact O-CB 3.39Å; P197-A200 PolarHBondContact O-N 3.28Å; P197-H201 PolarHBondContact O-N 3.43Å
198K91.1Very high94.2Very high168 Ų16842.2 Ų42.273%0.7322%0.215SC*.Hα-helixtrans-59.2-26178.7-68.7-175.3178.6-1800113.1A200 H201 K202K198-A200 VanDerWaalsContact C-N 3.34Å; K198-H201 PolarHBondContact O-N 2.65Å; K198-K202 WeakPolarHBondContact O-CG 3.25Å; K198-K202 PolarHBondContact O-N 2.82Å; K198-K202 VanDerWaalsContact O-N 3.12Å
199S91.3Very high94.4Very high34 Ų3444.2 Ų44.224%0.23822%0.221CC..Hα-helixtrans-61.4-41.8172.644.90000111.5R171 P197 K202 A203R171-S199 PolarHBondContact NH2-OG 2.77Å; R171-S199 VanDerWaalsContact NH2-OG 3.08Å; P197-S199 WeakPolarHBondContact CB-OG 3.35Å; P197-S199 PolarHBondContact O-N 2.84Å; P197-S199 VanDerWaalsContact O-N 3.11Å; S199-K202 PolarHBondContact O-N 3.44Å; S199-A203 WeakPolarHBondContact O-CB 3.43Å; S199-A203 PolarHBondContact O-N 2.95Å
200A91.9Very high94.5Very high0 Ų045.9 Ų45.90%024%0.235CC..Hα-helixtrans-62-47.1174.900000111L184 P197 K198 K202 A203 Y204L184-A200 HydrophobicContact CB-CB 4.15Å; P197-A200 HydrophobicContact CG-CB 4.06Å; P197-A200 WeakPolarHBondContact O-CB 3.39Å; P197-A200 PolarHBondContact O-N 3.28Å; K198-A200 VanDerWaalsContact C-N 3.34Å; A200-K202 VanDerWaalsContact C-N 3.29Å; A200-K202 PolarHBondContact O-N 2.72Å; A200-A203 PolarHBondContact O-N 3.5Å; A200-A203 VanDerWaalsContact O-N 3.16Å; A200-Y204 WeakPolarHBondContact O-CD2 3.12Å; A200-Y204 PolarHBondContact O-N 3.17Å
201H92.8Very high94.7Very high38 Ų3846.1 Ų46.118%0.17624%0.236CC..Hα-helixtrans-55.8-44.5177.7-59176.2000112S193 P197 K198 A205S193-H201 PolarHBondContact O-NE2 2.66Å; S193-H201 VanDerWaalsContact O-NE2 3.1Å; P197-H201 PolarHBondContact O-N 3.43Å; K198-H201 PolarHBondContact O-N 2.65Å; H201-A205 WeakPolarHBondContact O-CB 3.3Å; H201-A205 PolarHBondContact O-N 3.42Å; H201-A205 VanDerWaalsContact O-N 3.12Å
202K93.9Very high94.8Very high154 Ų15445.9 Ų45.967%0.6724%0.235SC*.Hα-helixtrans-65.9-43.1177.7-71.7176.4-178.8-177.90112.5K198 S199 A200 Y204 A205 L206K198-K202 WeakPolarHBondContact O-CG 3.25Å; K198-K202 PolarHBondContact O-N 2.82Å; K198-K202 VanDerWaalsContact O-N 3.12Å; S199-K202 PolarHBondContact O-N 3.44Å; A200-K202 VanDerWaalsContact C-N 3.29Å; A200-K202 PolarHBondContact O-N 2.72Å; K202-Y204 PolarHBondContact O-N 2.9Å; K202-A205 PolarHBondContact O-N 3.23Å; K202-L206 WeakPolarHBondContact O-CB 3.12Å; K202-L206 PolarHBondContact O-N 3.25Å
203A94.4Very high95Very high12 Ų1249.3 Ų49.310%0.09925%0.247CC..Hα-helixtrans-60.7-46.418000000111.3P169 L184 S199 A200 L206 Q207P169-A203 HydrophobicContact CB-CB 3.99Å; L184-A203 HydrophobicContact CD2-CB 3.68Å; S199-A203 WeakPolarHBondContact O-CB 3.43Å; S199-A203 PolarHBondContact O-N 2.95Å; A200-A203 PolarHBondContact O-N 3.5Å; A200-A203 VanDerWaalsContact O-N 3.16Å; A203-L206 PolarHBondContact O-N 3.26Å; A203-Q207 WeakPolarHBondContact O-CB 3.38Å; A203-Q207 PolarHBondContact O-N 3.16Å
204Y95.7Very high95.2Very high0 Ų050.8 Ų50.80%026%0.255CS..Hα-helixtrans-58.9-48.6174.7-92.3-81.4000112.6L165 P169 L184 Y191 I192 A200 K202 L206 Q207 F208 N275 A276 Y278 Y279L165-Y204 HydrophobicContact CD1-CD1 3.99Å; L165-Y204 HydrophobicContact CD1-CE1 4.26Å; P169-Y204 HydrophobicContact CB-CD2 4.37Å; P169-Y204 HydrophobicContact CB-CG 4.36Å; P169-Y204 HydrophobicContact CG-CD1 3.46Å; P169-Y204 VanDerWaalsContact CG-CD1 3.46Å; P169-Y204 HydrophobicContact CG-CD2 3.95Å; P169-Y204 HydrophobicContact CG-CE1 3.58Å; P169-Y204 HydrophobicContact CG-CE2 4.08Å; P169-Y204 HydrophobicContact CG-CG 3.64Å; L184-Y204 HydrophobicContact CD1-CD2 4.32Å; L184-Y204 HydrophobicContact CD1-CE2 3.77Å; Y191-Y204 HydrophobicContact CD2-CD1 4.18Å; Y191-Y204 AromaticContact CD2-CE1 3.58Å; Y191-Y204 HydrophobicContact CD2-CE1 3.58Å; Y191-Y204 HydrophobicContact CD2-CE2 4.48Å; Y191-Y204 AromaticContact CD2-CZ 3.76Å; Y191-Y204 AromaticContact CE2-CD1 3.75Å; Y191-Y204 HydrophobicContact CE2-CD1 3.75Å; Y191-Y204 AromaticContact CE2-CE1 3.61Å; Y191-Y204 HydrophobicContact CE2-CE1 3.61Å; Y191-Y204 HydrophobicContact CE2-CG 4.44Å; I192-Y204 VanDerWaalsContact CD1-CB 3.45Å; I192-Y204 HydrophobicContact CD1-CD1 4.18Å; I192-Y204 HydrophobicContact CD1-CD2 3.91Å; I192-Y204 HydrophobicContact CD1-CG 3.58Å; I192-Y204 HydrophobicContact CG1-CD1 4.49Å; I192-Y204 HydrophobicContact CG1-CD2 3.62Å; I192-Y204 HydrophobicContact CG1-CE2 4.13Å; I192-Y204 HydrophobicContact CG1-CG 3.83Å; A200-Y204 WeakPolarHBondContact O-CD2 3.12Å; A200-Y204 PolarHBondContact O-N 3.17Å; K202-Y204 PolarHBondContact O-N 2.9Å; Y204-L206 VanDerWaalsContact C-N 3.34Å; Y204-L206 PolarHBondContact O-N 2.76Å; Y204-Q207 PolarHBondContact O-N 3.21Å; Y204-F208 PolarHBondContact O-N 3.07Å; Y204-N275 WeakPolarHBondContact OH-CB 3.43Å; Y204-A276 VanDerWaalsContact CE1-O 3.22Å; Y204-A276 WeakPolarHBondContact CE1-O 3.28Å; Y204-A276 PolarHBondContact OH-N 3.34Å; Y204-A276 PolarHBondContact OH-O 3.45Å; Y204-Y278 WeakPolarHBondContact CD1-O 3.47Å; Y204-Y278 WeakPolarHBondContact CE1-O 3.15Å; Y204-Y279 HydrophobicContact CD1-CD2 4.09Å; Y204-Y279 HydrophobicContact CG-CD2 4.33Å
205A95.9Very high95.5Very high14 Ų1443.5 Ų43.512%0.11622%0.224CC..Hα-helixtrans-61.5-42.3178.600000112.1H201 K202 F208 Q209 Y279H201-A205 WeakPolarHBondContact O-CB 3.3Å; H201-A205 PolarHBondContact O-N 3.42Å; H201-A205 VanDerWaalsContact O-N 3.12Å; K202-A205 PolarHBondContact O-N 3.23Å; A205-F208 PolarHBondContact O-N 2.94Å; A205-Q209 VanDerWaalsContact O-CG 3.23Å; A205-Q209 WeakPolarHBondContact O-CG 3.31Å; A205-Q209 PolarHBondContact O-N 3.13Å; A205-Y279 HydrophobicContact CB-CE2 4.43Å; A205-Y279 WeakPolarHBondContact CB-OH 3.39Å
206L96.3Very high95.8Very high66 Ų6638.5 Ų38.535%0.34619%0.193SC..Hα-helixtrans-67-41.7178.9-179.464.8000112.2E172 K202 A203 Y204 Q209 T210E172-L206 HydrophobicContact CG-CD2 3.86Å; E172-L206 WeakPolarHBondContact OE1-CD2 3.24Å; K202-L206 WeakPolarHBondContact O-CB 3.12Å; K202-L206 PolarHBondContact O-N 3.25Å; A203-L206 PolarHBondContact O-N 3.26Å; Y204-L206 VanDerWaalsContact C-N 3.34Å; Y204-L206 PolarHBondContact O-N 2.76Å; L206-Q209 PolarHBondContact O-N 3.19Å; L206-T210 WeakPolarHBondContact O-CB 3.32Å; L206-T210 PolarHBondContact O-N 3.37Å; L206-T210 PolarHBondContact O-OG1 2.9Å
207Q96.9Very high96Very high24 Ų2444.1 Ų44.111%0.11221%0.213CC..Hα-helixtrans-60.4-48176.2-173.86156.700110.2L165 S166 Q167 P169 A203 Y204 Q209 T210 D211L165-Q207 HydrophobicContact CB-CG 4.2Å; L165-Q207 HydrophobicContact CD1-CB 4.23Å; L165-Q207 HydrophobicContact CD1-CG 3.89Å; L165-Q207 HydrophobicContact CD2-CG 4.38Å; L165-Q207 HydrophobicContact CG-CG 4.39Å; S166-Q207 PolarHBondContact OG-NE2 3.33Å; Q167-Q207 HydrophobicContact CG-CG 4.45Å; P169-Q207 HydrophobicContact CB-CB 4.2Å; P169-Q207 HydrophobicContact CG-CB 4.1Å; P169-Q207 HydrophobicContact CG-CG 4.31Å; A203-Q207 WeakPolarHBondContact O-CB 3.38Å; A203-Q207 PolarHBondContact O-N 3.16Å; Y204-Q207 PolarHBondContact O-N 3.21Å; Q207-Q209 PolarHBondContact O-N 3.23Å; Q207-T210 PolarHBondContact O-N 3.31Å; Q207-D211 VanDerWaalsContact NE2-CG 3.31Å; Q207-D211 PolarHBondContact NE2-OD1 3.2Å; Q207-D211 PolarHBondContact NE2-OD2 3.23Å; Q207-D211 VanDerWaalsContact NE2-OD2 3.09Å; Q207-D211 WeakPolarHBondContact O-CB 3.24Å; Q207-D211 VanDerWaalsContact O-CG 3.22Å; Q207-D211 PolarHBondContact O-N 3.42Å
208F97.7Very high96.3Very high1 Ų143 Ų430%0.00421%0.206CC..Hα-helixtrans-58-48.7175174.6-98000112.6L165 Y204 A205 T210 D211 F212 Y279 A281 L286L165-F208 HydrophobicContact CD2-CB 3.9Å; L165-F208 HydrophobicContact CD2-CD2 4.23Å; Y204-F208 PolarHBondContact O-N 3.07Å; A205-F208 PolarHBondContact O-N 2.94Å; F208-T210 VanDerWaalsContact C-N 3.25Å; F208-T210 PolarHBondContact O-N 3.08Å; F208-D211 PolarHBondContact O-N 3.02Å; F208-F212 HydrophobicContact CE1-CB 4.16Å; F208-F212 HydrophobicContact CE1-CD1 4.37Å; F208-F212 HydrophobicContact CE1-CG 4.41Å; F208-F212 HydrophobicContact CE2-CB 4.2Å; F208-F212 HydrophobicContact CE2-CG 4.48Å; F208-F212 HydrophobicContact CZ-CB 3.9Å; F208-F212 HydrophobicContact CZ-CD1 4.14Å; F208-F212 HydrophobicContact CZ-CD2 4.46Å; F208-F212 AromaticContact CZ-CG 3.93Å; F208-F212 HydrophobicContact CZ-CG 3.93Å; F208-F212 VanDerWaalsContact O-CB 3.29Å; F208-F212 WeakPolarHBondContact O-CB 3.36Å; F208-F212 PolarHBondContact O-N 3.18Å; F208-Y279 HydrophobicContact CB-CD1 3.35Å; F208-Y279 HydrophobicContact CB-CE1 3.95Å; F208-Y279 HydrophobicContact CB-CG 3.82Å; F208-Y279 AromaticContact CD1-CD1 3.91Å; F208-Y279 HydrophobicContact CD1-CD1 3.91Å; F208-Y279 HydrophobicContact CD1-CE1 4.09Å; F208-Y279 AromaticContact CD2-CD1 3.82Å; F208-Y279 HydrophobicContact CD2-CD1 3.82Å; F208-Y279 HydrophobicContact CD2-CG 4.49Å; F208-Y279 AromaticContact CG-CD1 3.38Å; F208-Y279 HydrophobicContact CG-CD1 3.38Å; F208-Y279 HydrophobicContact CG-CE1 4Å; F208-Y279 HydrophobicContact CG-CG 4.22Å; F208-A281 HydrophobicContact CD1-CB 3.88Å; F208-A281 HydrophobicContact CD2-CB 4.38Å; F208-A281 HydrophobicContact CE1-CB 3.36Å; F208-A281 HydrophobicContact CE2-CB 3.92Å; F208-A281 HydrophobicContact CG-CB 4.37Å; F208-A281 HydrophobicContact CZ-CB 3.4Å; F208-L286 HydrophobicContact CE1-CD2 4.1Å; F208-L286 HydrophobicContact CZ-CD2 3.64Å
209Q98Very high96.6Very high51 Ų5135 Ų3524%0.23817%0.171CC..Hα-helixtrans-59.3-40-179.9-73.5171.824.200111.7A205 L206 Q207 W213 V289A205-Q209 VanDerWaalsContact O-CG 3.23Å; A205-Q209 WeakPolarHBondContact O-CG 3.31Å; A205-Q209 PolarHBondContact O-N 3.13Å; L206-Q209 PolarHBondContact O-N 3.19Å; Q207-Q209 PolarHBondContact O-N 3.23Å; Q209-W213 WeakPolarHBondContact O-CB 3.42Å; Q209-W213 PolarHBondContact O-N 3.44Å; Q209-V289 HydrophobicContact CB-CG2 4Å; Q209-V289 HydrophobicContact CG-CG2 3.76Å
210T97.7Very high97Very high68 Ų6833.8 Ų33.842%0.41716%0.163SC..Hα-helixtrans-65.2-52.2177-58.30000110.8L206 Q207 F208 F212 W213 V214L206-T210 WeakPolarHBondContact O-CB 3.32Å; L206-T210 PolarHBondContact O-N 3.37Å; L206-T210 PolarHBondContact O-OG1 2.9Å; Q207-T210 PolarHBondContact O-N 3.31Å; F208-T210 VanDerWaalsContact C-N 3.25Å; F208-T210 PolarHBondContact O-N 3.08Å; T210-F212 PolarHBondContact O-N 2.85Å; T210-W213 PolarHBondContact O-N 3.45Å; T210-V214 WeakPolarHBondContact O-CG2 3.32Å; T210-V214 PolarHBondContact O-N 3.28Å
211D98.2Very high97.3Very high6 Ų636.3 Ų36.33%0.03218%0.175CC..Hα-helixtrans-61.1-47.2-178-73.4-16.1000111.7Y144 L165 S166 Q207 F208 W213 V214 F215Y144-D211 HydrophobicContact CD1-CB 3.95Å; Y144-D211 VanDerWaalsContact CD1-O 3.25Å; Y144-D211 WeakPolarHBondContact CD1-O 3.43Å; Y144-D211 HydrophobicContact CE1-CB 3.6Å; Y144-D211 WeakPolarHBondContact CE1-O 3.37Å; Y144-D211 HydrophobicContact CE2-CB 4.38Å; L165-D211 WeakPolarHBondContact CA-OD2 3.35Å; S166-D211 VanDerWaalsContact CB-OD1 3.26Å; S166-D211 WeakPolarHBondContact CB-OD1 3.26Å; S166-D211 PolarHBondContact N-OD2 3.42Å; S166-D211 PolarHBondContact OG-OD1 3.16Å; S166-D211 PolarHBondContact OG-OD2 2.98Å; Q207-D211 VanDerWaalsContact NE2-CG 3.31Å; Q207-D211 PolarHBondContact NE2-OD1 3.2Å; Q207-D211 PolarHBondContact NE2-OD2 3.23Å; Q207-D211 VanDerWaalsContact NE2-OD2 3.09Å; Q207-D211 WeakPolarHBondContact O-CB 3.24Å; Q207-D211 VanDerWaalsContact O-CG 3.22Å; Q207-D211 PolarHBondContact O-N 3.42Å; F208-D211 PolarHBondContact O-N 3.02Å; D211-W213 PolarHBondContact O-N 3.22Å; D211-V214 PolarHBondContact O-N 3.41Å; D211-F215 WeakPolarHBondContact O-CB 3.15Å; D211-F215 PolarHBondContact O-N 2.92Å
212F98.6Very high97.6Very high1 Ų134.5 Ų34.50%0.00417%0.166CC..Hα-helixtrans-68-36.4179.9-166.7-125.8000112L162 F208 T210 F215 L216 L231 L286 V289 I290 L383L162-F212 HydrophobicContact CD1-CE2 4.17Å; L162-F212 HydrophobicContact CD2-CD2 4.4Å; F208-F212 HydrophobicContact CE1-CB 4.16Å; F208-F212 HydrophobicContact CE1-CD1 4.37Å; F208-F212 HydrophobicContact CE1-CG 4.41Å; F208-F212 HydrophobicContact CE2-CB 4.2Å; F208-F212 HydrophobicContact CE2-CG 4.48Å; F208-F212 HydrophobicContact CZ-CB 3.9Å; F208-F212 HydrophobicContact CZ-CD1 4.14Å; F208-F212 HydrophobicContact CZ-CD2 4.46Å; F208-F212 AromaticContact CZ-CG 3.93Å; F208-F212 HydrophobicContact CZ-CG 3.93Å; F208-F212 VanDerWaalsContact O-CB 3.29Å; F208-F212 WeakPolarHBondContact O-CB 3.36Å; F208-F212 PolarHBondContact O-N 3.18Å; T210-F212 PolarHBondContact O-N 2.85Å; F212-F215 HydrophobicContact CD2-CD1 4.17Å; F212-F215 HydrophobicContact CE2-CD1 4.04Å; F212-F215 HydrophobicContact CE2-CE1 4.44Å; F212-F215 WeakPolarHBondContact O-CB 3.47Å; F212-F215 PolarHBondContact O-N 3.27Å; F212-L216 HydrophobicContact CD1-CD1 4.2Å; F212-L216 HydrophobicContact CE1-CD1 4Å; F212-L216 HydrophobicContact CE1-CG 4.45Å; F212-L216 HydrophobicContact CZ-CD1 4.39Å; F212-L216 HydrophobicContact CZ-CD2 4.26Å; F212-L216 HydrophobicContact CZ-CG 4.4Å; F212-L216 WeakPolarHBondContact O-CG 3.49Å; F212-L216 PolarHBondContact O-N 3.37Å; F212-L231 HydrophobicContact CE2-CD1 4.36Å; F212-L286 HydrophobicContact CD1-CD2 4.04Å; F212-L286 HydrophobicContact CE1-CD2 3.59Å; F212-L286 HydrophobicContact CZ-CD2 3.93Å; F212-V289 HydrophobicContact CB-CG1 4.27Å; F212-V289 HydrophobicContact CD1-CB 3.94Å; F212-V289 HydrophobicContact CD1-CG1 3.68Å; F212-V289 HydrophobicContact CG-CG1 4.37Å; F212-I290 HydrophobicContact CE1-CD1 4.15Å; F212-I290 HydrophobicContact CE1-CG1 3.84Å; F212-I290 HydrophobicContact CZ-CD1 4.49Å; F212-I290 HydrophobicContact CZ-CG1 4.38Å; F212-L383 HydrophobicContact CZ-CD2 4.22Å
213W98.6Very high97.8Very high83 Ų8327.3 Ų27.331%0.31414%0.135SC..Hα-helixtrans-62.7-44.5172.6-176.797.4000111.7Q209 T210 D211 F215 L216 R217 V289 E293Q209-W213 WeakPolarHBondContact O-CB 3.42Å; Q209-W213 PolarHBondContact O-N 3.44Å; T210-W213 PolarHBondContact O-N 3.45Å; D211-W213 PolarHBondContact O-N 3.22Å; W213-F215 VanDerWaalsContact C-N 3.31Å; W213-F215 PolarHBondContact O-N 2.99Å; W213-L216 PolarHBondContact O-N 3.29Å; W213-R217 HydrophobicContact CE3-CB 4.45Å; W213-R217 HydrophobicContact CZ3-CB 4.37Å; W213-R217 VanDerWaalsContact CZ3-CD 3.49Å; W213-R217 WeakPolarHBondContact O-CB 3.4Å; W213-R217 PolarHBondContact O-N 3.48Å; W213-V289 HydrophobicContact CB-CG1 3.9Å; W213-E293 HydrophobicContact CD2-CG 4.43Å; W213-E293 HydrophobicContact CG-CB 4.35Å; W213-E293 HydrophobicContact CG-CG 4.28Å
214V98.6Very high97.9Very high42 Ų4227.8 Ų27.826%0.25514%0.137SC..Hα-helixtrans-65.9-38.1177.8175.20000110.8Y144 T210 D211 R217 S218Y144-V214 WeakPolarHBondContact O-CG1 3.38Å; T210-V214 WeakPolarHBondContact O-CG2 3.32Å; T210-V214 PolarHBondContact O-N 3.28Å; D211-V214 PolarHBondContact O-N 3.41Å; V214-R217 PolarHBondContact O-N 3.15Å; V214-S218 WeakPolarHBondContact O-CB 3.26Å; V214-S218 PolarHBondContact O-N 3.48Å; V214-S218 PolarHBondContact O-OG 3.4Å
215F98.8Very high97.9Very high0 Ų030.9 Ų30.90%016%0.157CC..Hα-helixtrans-56.4-54.5172.6172.2-90.3000110.9L58 F143 Y144 L162 D211 F212 W213 R217 S218 R219 M229 L231L58-F215 HydrophobicContact CD1-CE2 3.71Å; L58-F215 HydrophobicContact CD1-CZ 4.1Å; F143-F215 HydrophobicContact CB-CD2 4.37Å; F143-F215 HydrophobicContact CB-CE2 4.43Å; F143-F215 HydrophobicContact CD1-CE2 4.46Å; F143-F215 HydrophobicContact CG-CD2 4.45Å; F143-F215 VanDerWaalsContact O-CD2 3.31Å; F143-F215 WeakPolarHBondContact O-CD2 3.15Å; Y144-F215 HydrophobicContact CD1-CB 4.08Å; Y144-F215 HydrophobicContact CE1-CB 4.14Å; L162-F215 HydrophobicContact CD1-CE1 4.17Å; L162-F215 HydrophobicContact CD1-CZ 4.11Å; L162-F215 HydrophobicContact CD2-CD1 4.18Å; L162-F215 HydrophobicContact CD2-CD2 3.67Å; L162-F215 HydrophobicContact CD2-CE1 4.32Å; L162-F215 HydrophobicContact CD2-CE2 3.82Å; L162-F215 HydrophobicContact CD2-CG 3.88Å; L162-F215 HydrophobicContact CD2-CZ 4.15Å; D211-F215 WeakPolarHBondContact O-CB 3.15Å; D211-F215 PolarHBondContact O-N 2.92Å; F212-F215 HydrophobicContact CD2-CD1 4.17Å; F212-F215 HydrophobicContact CE2-CD1 4.04Å; F212-F215 HydrophobicContact CE2-CE1 4.44Å; F212-F215 WeakPolarHBondContact O-CB 3.47Å; F212-F215 PolarHBondContact O-N 3.27Å; W213-F215 VanDerWaalsContact C-N 3.31Å; W213-F215 PolarHBondContact O-N 2.99Å; F215-R217 PolarHBondContact O-N 3.11Å; F215-S218 PolarHBondContact O-N 2.93Å; F215-R219 HydrophobicContact CE1-CG 4.05Å; F215-R219 HydrophobicContact CE2-CG 4.09Å; F215-R219 HydrophobicContact CZ-CG 3.8Å; F215-R219 WeakPolarHBondContact O-CB 3.34Å; F215-R219 VanDerWaalsContact O-CZ 3.3Å; F215-R219 PolarHBondContact O-N 2.92Å; F215-R219 PolarHBondContact O-NE 3.39Å; F215-R219 PolarHBondContact O-NH2 3.12Å; F215-M229 HydrophobicContact CE1-CE 4.2Å; F215-M229 HydrophobicContact CE1-SD 4.39Å; F215-L231 HydrophobicContact CE1-CD1 4.02Å; F215-L231 HydrophobicContact CE1-CD2 4.3Å; F215-L231 HydrophobicContact CZ-CD2 4.02Å
216L98.8Very high97.8Very high0 Ų031.5 Ų31.50%016%0.164CC..Hα-helixtrans-59.1-50.8179.6-68.6172.6000110.8F212 W213 S218 R219 S220 M229 V289 I290 E293 F296 L385F212-L216 HydrophobicContact CD1-CD1 4.2Å; F212-L216 HydrophobicContact CE1-CD1 4Å; F212-L216 HydrophobicContact CE1-CG 4.45Å; F212-L216 HydrophobicContact CZ-CD1 4.39Å; F212-L216 HydrophobicContact CZ-CD2 4.26Å; F212-L216 HydrophobicContact CZ-CG 4.4Å; F212-L216 WeakPolarHBondContact O-CG 3.49Å; F212-L216 PolarHBondContact O-N 3.37Å; W213-L216 PolarHBondContact O-N 3.29Å; L216-S218 VanDerWaalsContact C-N 3.29Å; L216-S218 PolarHBondContact O-N 3.47Å; L216-R219 PolarHBondContact O-N 3.22Å; L216-S220 WeakPolarHBondContact O-CB 3.49Å; L216-S220 PolarHBondContact O-N 3.28Å; L216-M229 HydrophobicContact CD2-CE 3.94Å; L216-V289 HydrophobicContact CD1-CG1 4.21Å; L216-I290 HydrophobicContact CD1-CB 4.36Å; L216-I290 HydrophobicContact CD1-CG1 3.8Å; L216-E293 HydrophobicContact CB-CB 4.4Å; L216-E293 HydrophobicContact CB-CG 3.92Å; L216-E293 HydrophobicContact CD1-CB 4.22Å; L216-F296 HydrophobicContact CB-CD2 4.35Å; L216-F296 HydrophobicContact CB-CE2 4.31Å; L216-F296 HydrophobicContact CD2-CD2 3.91Å; L216-F296 HydrophobicContact CD2-CE2 4.2Å; L216-F296 WeakPolarHBondContact O-CE2 3.28Å; L216-L385 HydrophobicContact CD2-CD1 3.81Å
217R98.4Very high97.9Very high127 Ų12728.3 Ų28.348%0.47915%0.148SC..Hα-helixtrans-56.6-42.1-178.8-178.9170.9-179.2138.6-1.6113.2W213 V214 F215 S220 E221 E293W213-R217 HydrophobicContact CE3-CB 4.45Å; W213-R217 HydrophobicContact CZ3-CB 4.37Å; W213-R217 VanDerWaalsContact CZ3-CD 3.49Å; W213-R217 WeakPolarHBondContact O-CB 3.4Å; W213-R217 PolarHBondContact O-N 3.48Å; V214-R217 PolarHBondContact O-N 3.15Å; F215-R217 PolarHBondContact O-N 3.11Å; R217-S220 PolarHBondContact O-N 3.05Å; R217-S220 PolarHBondContact O-OG 3.46Å; R217-E221 PolarHBondContact O-N 3.04Å; R217-E293 WeakPolarHBondContact CA-OE1 3.32Å; R217-E293 HydrophobicContact CB-CG 4.38Å
218S98.6Very high97.9Very high13 Ų1328.5 Ų28.59%0.09115%0.147CC..Hα-helixtrans-71.7-43.9-179.6-63.10000111.3V214 F215 L216 S220 E221 E222V214-S218 WeakPolarHBondContact O-CB 3.26Å; V214-S218 PolarHBondContact O-N 3.48Å; V214-S218 PolarHBondContact O-OG 3.4Å; F215-S218 PolarHBondContact O-N 2.93Å; L216-S218 VanDerWaalsContact C-N 3.29Å; L216-S218 PolarHBondContact O-N 3.47Å; S218-S220 PolarHBondContact O-N 3.4Å; S218-E221 PolarHBondContact O-N 3.45Å; S218-E222 VanDerWaalsContact O-CG 3.29Å; S218-E222 WeakPolarHBondContact O-CG 3.2Å; S218-E222 PolarHBondContact O-N 2.89Å
219R98.6Very high98Very high0 Ų028.4 Ų28.40%015%0.147CC..Hα-helixtrans-60.2-32.9174.2-89.429.772.5-154.410112L58 F143 G145 F215 L216 E221 E222 L223 M229 F296L58-R219 HydrophobicContact CD1-CG 4.41Å; F143-R219 VanDerWaalsContact C-NH2 3.34Å; F143-R219 PolarHBondContact O-NH2 3.37Å; G145-R219 PolarHBondContact O-NH1 3.48Å; G145-R219 PolarHBondContact O-NH2 3.27Å; F215-R219 HydrophobicContact CE1-CG 4.05Å; F215-R219 HydrophobicContact CE2-CG 4.09Å; F215-R219 HydrophobicContact CZ-CG 3.8Å; F215-R219 WeakPolarHBondContact O-CB 3.34Å; F215-R219 VanDerWaalsContact O-CZ 3.3Å; F215-R219 PolarHBondContact O-N 2.92Å; F215-R219 PolarHBondContact O-NE 3.39Å; F215-R219 PolarHBondContact O-NH2 3.12Å; L216-R219 PolarHBondContact O-N 3.22Å; R219-E221 VanDerWaalsContact C-N 3.28Å; R219-E221 PolarHBondContact O-N 3.13Å; R219-E222 IonicContact CZ-OE2 3.61Å; R219-E222 IonicContact NH1-OE1 3.91Å; R219-E222 IonicContact NH1-OE2 3.66Å; R219-E222 PolarHBondContact NH1-OE2 3.01Å; R219-E222 PolarHBondContact O-N 3.3Å; R219-L223 WeakPolarHBondContact O-CB 3.36Å; R219-L223 PolarHBondContact O-N 3.41Å; R219-M229 HydrophobicContact CB-CE 4.14Å; R219-M229 HydrophobicContact CB-SD 3.68Å; R219-M229 HydrophobicContact CG-CE 4.39Å; R219-M229 HydrophobicContact CG-SD 3.53Å; R219-M229 VanDerWaalsContact CG-SD 3.53Å; R219-F296 HydrophobicContact CB-CE2 4.48Å; R219-F296 HydrophobicContact CB-CZ 4.06Å
220S98.4Very high98Very high9 Ų926.1 Ų26.16%0.06314%0.136CC..Hα-helixtrans-68.9-26.5179.891.60000113.6L216 R217 S218 S295 R387L216-S220 WeakPolarHBondContact O-CB 3.49Å; L216-S220 PolarHBondContact O-N 3.28Å; R217-S220 PolarHBondContact O-N 3.05Å; R217-S220 PolarHBondContact O-OG 3.46Å; S218-S220 PolarHBondContact O-N 3.4Å; S220-S295 VanDerWaalsContact CB-OG 3.26Å; S220-S295 WeakPolarHBondContact CB-OG 3.48Å; S220-S295 PolarHBondContact OG-OG 3.27Å; S220-S295 VanDerWaalsContact OG-OG 3.13Å; S220-R387 VanDerWaalsContact CB-CZ 3.46Å; S220-R387 VanDerWaalsContact O-CZ 3.31Å; S220-R387 PolarHBondContact O-NE 3.13Å; S220-R387 PolarHBondContact O-NH2 3.4Å; S220-R387 PolarHBondContact OG-NH2 2.97Å
221E98.3Very high98.1Very high54 Ų5422.9 Ų22.925%0.25212%0.116SC..Hα-helixtrans-79.5-30.3171.7-68.9-166.2-136.100112.2R146 R150 R151 R217 S218 R219R146-E221 IonicContact CZ-OE2 2.67Å; R146-E221 IonicContact NH1-OE2 3.56Å; R146-E221 PolarHBondContact NH1-OE2 3.22Å; R150-E221 CarbonylContact C-O 3.58Å; R150-E221 WeakPolarHBondContact CA-O 3.35Å; R150-E221 HydrophobicContact CG-CB 4.4Å; R150-E221 IonicContact CZ-OE2 3.26Å; R150-E221 VanDerWaalsContact CZ-OE2 3.31Å; R150-E221 IonicContact NE-OE2 3.92Å; R150-E221 PolarHBondContact NE-OE2 2.63Å; R150-E221 IonicContact NH2-OE2 3.27Å; R150-E221 PolarHBondContact NH2-OE2 2.87Å; R151-E221 PolarHBondContact N-O 3.3Å; R217-E221 PolarHBondContact O-N 3.04Å; S218-E221 PolarHBondContact O-N 3.45Å; R219-E221 VanDerWaalsContact C-N 3.28Å; R219-E221 PolarHBondContact O-N 3.13Å
222E98.7Very high98Very high0 Ų022.6 Ų22.60%012%0.115CC..Hα-helixtrans-85.9-33.8-171.9-66.8169.6161.100113R146 L147 F148 R151 S152 L153 S218 R219R146-E222 VanDerWaalsContact CA-OE1 3.3Å; R146-E222 WeakPolarHBondContact CA-OE1 3.47Å; R146-E222 WeakPolarHBondContact CD-OE1 3.47Å; R146-E222 IonicContact NE-OE1 3Å; R146-E222 PolarHBondContact NE-OE1 3.37Å; R146-E222 VanDerWaalsContact NE-OE1 3.16Å; L147-E222 PolarHBondContact N-OE1 3.48Å; F148-E222 HydrophobicContact CB-CB 4.23Å; F148-E222 HydrophobicContact CB-CG 3.95Å; F148-E222 HydrophobicContact CD2-CG 4.49Å; F148-E222 PolarHBondContact N-OE1 3.2Å; R151-E222 CarbonylContact C-O 3.56Å; R151-E222 VanDerWaalsContact CA-O 3.27Å; R151-E222 WeakPolarHBondContact CA-O 3.42Å; R151-E222 PolarHBondContact N-O 2.84Å; S152-E222 PolarHBondContact N-O 3.49Å; L153-E222 HydrophobicContact CD1-CB 4.31Å; L153-E222 PolarHBondContact N-O 3.47Å; S218-E222 VanDerWaalsContact O-CG 3.29Å; S218-E222 WeakPolarHBondContact O-CG 3.2Å; S218-E222 PolarHBondContact O-N 2.89Å; R219-E222 IonicContact CZ-OE2 3.61Å; R219-E222 IonicContact NH1-OE1 3.91Å; R219-E222 IonicContact NH1-OE2 3.66Å; R219-E222 PolarHBondContact NH1-OE2 3.01Å; R219-E222 PolarHBondContact O-N 3.3Å
223L98.3Very high98Very high3 Ų322.6 Ų22.62%0.01612%0.115CC..EExtended strand (participates in β ladder)trans-78.4142.6176.4-77.4161.6000112.1L153 V156 R219 M229 F296 R387L153-L223 HydrophobicContact CB-CD2 3.9Å; L153-L223 HydrophobicContact CB-CG 4.4Å; L153-L223 WeakPolarHBondContact O-CA 3.27Å; V156-L223 HydrophobicContact CG2-CD1 4.24Å; V156-L223 HydrophobicContact CG2-CD2 3.99Å; V156-L223 HydrophobicContact CG2-CG 4.22Å; R219-L223 WeakPolarHBondContact O-CB 3.36Å; R219-L223 PolarHBondContact O-N 3.41Å; L223-M229 HydrophobicContact CD1-CG 3.39Å; L223-M229 HydrophobicContact CD1-SD 3.58Å; L223-M229 VanDerWaalsContact CD1-SD 3.58Å; L223-F296 HydrophobicContact CD1-CE1 3.69Å; L223-F296 HydrophobicContact CD1-CZ 3.96Å; L223-R387 HydrophobicContact CB-CB 4.29Å; L223-R387 HydrophobicContact CB-CG 4.3Å
224V96.2Very high97.8Very high22 Ų2219.6 Ų19.613%0.13311%0.105CC..EExtended strand (participates in β ladder)trans-64.5155165.6-610000110.7R151 L153 G226 G227 R387R151-V224 HydrophobicContact CB-CG1 4.14Å; R151-V224 WeakPolarHBondContact O-CG1 3.38Å; L153-V224 PolarHBondContact O-N 3.5Å; V224-G226 PolarHBondContact O-N 3.2Å; V224-G227 WeakPolarHBondContact O-CA 3.38Å; V224-G227 PolarHBondContact O-N 3.24Å; V224-R387 WeakPolarHBondContact O-CG 3.47Å
225P95.4Very high97.7Very high65 Ų6517.6 Ų17.642%0.4229%0.093SC..EExtended strand (participates in β ladder)trans-51.2131.9165.6-27.536.9000111.3G227P225-G227 PolarHBondContact O-N 2.83Å
226G95.5Very high97.5Very high26 Ų2617.8 Ų17.827%0.2689%0.094SC..EExtended strand (participates in β ladder)trans76.4-3.4-174.400000115.3V224 R387V224-G226 PolarHBondContact O-N 3.2Å; G226-R387 PolarHBondContact N-O 3.23Å
227G97.4Very high97.2Very high0 Ų021.1 Ų21.10%011%0.107CC..EExtended strand (participates in β ladder)trans-59.4152.3170.500000111.5H154 V224 P225 V386 R387H154-G227 CarbonylContact O-C 3.58Å; H154-G227 VanDerWaalsContact O-CA 3.27Å; H154-G227 WeakPolarHBondContact O-CA 3.13Å; V224-G227 WeakPolarHBondContact O-CA 3.38Å; V224-G227 PolarHBondContact O-N 3.24Å; P225-G227 PolarHBondContact O-N 2.83Å; G227-V386 WeakPolarHBondContact O-CA 3.36Å; G227-R387 WeakPolarHBondContact O-CB 3.27Å; G227-R387 PolarHBondContact O-N 3.23Å
228R98.2Very high96.9Very high27 Ų2717.1 Ų17.110%0.10210%0.098CC..EExtended strand (participates in β ladder)trans-122.6148.9-171-68.4-178.1177.4-94.7-7112.6A39 K42 H154 F155 V156 D299 L385 V386A39-R228 WeakPolarHBondContact O-CD 3.43Å; K42-R228 VanDerWaalsContact CB-CZ 3.44Å; H154-R228 PolarHBondContact O-N 3.48Å; F155-R228 CarbonylContact C-O 3.51Å; F155-R228 WeakPolarHBondContact CA-O 3.38Å; F155-R228 HydrophobicContact CD2-CB 4.04Å; F155-R228 HydrophobicContact CE2-CB 4.2Å; V156-R228 PolarHBondContact N-O 2.82Å; R228-D299 IonicContact NH1-OD1 2.86Å; R228-D299 PolarHBondContact NH1-OD1 3Å; R228-D299 IonicContact NH1-OD2 2.86Å; R228-D299 PolarHBondContact NH1-OD2 3.15Å; R228-L385 CarbonylContact C-O 3.54Å; R228-L385 VanDerWaalsContact CA-O 3.29Å; R228-L385 WeakPolarHBondContact CA-O 3.01Å; R228-V386 HydrophobicContact CG-CB 4.3Å; R228-V386 HydrophobicContact CG-CG2 4.17Å
229M98.6Very high96.6Very high0 Ų022.3 Ų22.30%012%0.124CC..EExtended strand (participates in β ladder)trans-122.7139.1170.5-47.1-160-76.700110.3V156 F215 L216 R219 L223 L231 F296 S384 L385V156-M229 HydrophobicContact CB-CB 4.22Å; V156-M229 HydrophobicContact CB-CG 3.86Å; V156-M229 HydrophobicContact CB-SD 4.11Å; V156-M229 HydrophobicContact CG1-CG 4.36Å; V156-M229 HydrophobicContact CG1-SD 4.12Å; V156-M229 HydrophobicContact CG2-SD 4.48Å; V156-M229 CarbonylContact O-C 3.44Å; V156-M229 WeakPolarHBondContact O-CA 3.49Å; F215-M229 HydrophobicContact CE1-CE 4.2Å; F215-M229 HydrophobicContact CE1-SD 4.39Å; L216-M229 HydrophobicContact CD2-CE 3.94Å; R219-M229 HydrophobicContact CB-CE 4.14Å; R219-M229 HydrophobicContact CB-SD 3.68Å; R219-M229 HydrophobicContact CG-CE 4.39Å; R219-M229 HydrophobicContact CG-SD 3.53Å; R219-M229 VanDerWaalsContact CG-SD 3.53Å; L223-M229 HydrophobicContact CD1-CG 3.39Å; L223-M229 HydrophobicContact CD1-SD 3.58Å; L223-M229 VanDerWaalsContact CD1-SD 3.58Å; M229-L231 HydrophobicContact CB-CD2 4.21Å; M229-L231 HydrophobicContact CB-CG 4.36Å; M229-F296 HydrophobicContact CE-CD1 3.86Å; M229-F296 HydrophobicContact CE-CD2 4.17Å; M229-F296 HydrophobicContact CE-CE1 3.46Å; M229-F296 VanDerWaalsContact CE-CE1 3.46Å; M229-F296 HydrophobicContact CE-CE2 3.79Å; M229-F296 HydrophobicContact CE-CG 4.2Å; M229-F296 HydrophobicContact CE-CZ 3.42Å; M229-F296 VanDerWaalsContact CE-CZ 3.42Å; M229-F296 HydrophobicContact CG-CE1 4.24Å; M229-F296 HydrophobicContact SD-CE1 4.14Å; M229-F296 HydrophobicContact SD-CZ 4.12Å; M229-S384 CarbonylContact O-C 3.58Å; M229-S384 WeakPolarHBondContact O-CA 3.5Å; M229-L385 HydrophobicContact CB-CB 4.26Å; M229-L385 HydrophobicContact CE-CB 4.34Å; M229-L385 HydrophobicContact CE-CD1 3.61Å; M229-L385 PolarHBondContact N-O 3.1Å; M229-L385 PolarHBondContact O-N 3.04Å
230V98.6Very high96.3Very high2 Ų225.8 Ų25.81%0.01214%0.143CC..EExtended strand (participates in β ladder)trans-123.1117.6167.5178.20000108.6V35 M36 A39 F155 V156 H157 S158 L383V35-V230 HydrophobicContact CG1-CG1 4.35Å; M36-V230 HydrophobicContact CB-CG1 4.32Å; A39-V230 HydrophobicContact CB-CG2 3.61Å; F155-V230 HydrophobicContact CE2-CG2 4.05Å; F155-V230 HydrophobicContact CZ-CB 4.08Å; F155-V230 HydrophobicContact CZ-CG2 3.75Å; V156-V230 PolarHBondContact O-N 3.46Å; H157-V230 WeakPolarHBondContact CA-O 3.3Å; S158-V230 PolarHBondContact N-O 3.36Å; V230-L383 WeakPolarHBondContact CA-O 3.49Å
231L98.6Very high96Very high0 Ų026.2 Ų26.20%015%0.145CC..EExtended strand (participates in β ladder)trans-118.8128-172.4-48.6175.8000108S158 L162 F212 F215 M229 F233 I382 L383 L385S158-L231 CarbonylContact O-C 3.59Å; S158-L231 WeakPolarHBondContact O-CA 3.49Å; L162-L231 HydrophobicContact CD1-CB 4.02Å; L162-L231 HydrophobicContact CD1-CD1 3.76Å; L162-L231 HydrophobicContact CD1-CD2 3.9Å; L162-L231 HydrophobicContact CD1-CG 4.09Å; F212-L231 HydrophobicContact CE2-CD1 4.36Å; F215-L231 HydrophobicContact CE1-CD1 4.02Å; F215-L231 HydrophobicContact CE1-CD2 4.3Å; F215-L231 HydrophobicContact CZ-CD2 4.02Å; M229-L231 HydrophobicContact CB-CD2 4.21Å; M229-L231 HydrophobicContact CB-CG 4.36Å; L231-F233 HydrophobicContact CB-CD1 4.23Å; L231-F233 HydrophobicContact CB-CE1 3.99Å; L231-I382 WeakPolarHBondContact O-CA 3.28Å; L231-L383 HydrophobicContact CB-CB 4.34Å; L231-L383 HydrophobicContact CD1-CD2 4.15Å; L231-L383 PolarHBondContact N-O 3.07Å; L231-L383 PolarHBondContact O-N 3.21Å; L231-L385 HydrophobicContact CD1-CD1 3.96Å
232S97.7Very high95.7Very high1 Ų124.7 Ų24.71%0.00714%0.14CC..EExtended strand (participates in β ladder)trans-12812617354.90000110.4S158 S159 S160 V381S158-S232 PolarHBondContact O-N 3.38Å; S158-S232 PolarHBondContact O-OG 3Å; S159-S232 CarbonylContact C-O 3.55Å; S159-S232 VanDerWaalsContact CA-O 3.28Å; S159-S232 WeakPolarHBondContact CA-O 3.49Å; S159-S232 WeakPolarHBondContact CA-OG 3.35Å; S159-S232 VanDerWaalsContact CB-OG 3.25Å; S159-S232 WeakPolarHBondContact CB-OG 3.21Å; S159-S232 PolarHBondContact OG-OG 2.71Å; S160-S232 PolarHBondContact N-O 3.31Å; S232-V381 CarbonylContact C-O 3.57Å; S232-V381 WeakPolarHBondContact CA-O 3.38Å
233F97.1Very high95.3Very high0 Ų026.6 Ų26.60%015%0.151CC..EExtended strand (participates in β ladder)trans-160.2163-177.552.9-87000111.6L162 L231 G235 L286 V381L162-F233 HydrophobicContact CB-CB 4.27Å; L162-F233 HydrophobicContact CB-CD1 3.8Å; L162-F233 HydrophobicContact CB-CD2 4.43Å; L162-F233 HydrophobicContact CB-CE1 4.23Å; L162-F233 HydrophobicContact CB-CG 3.92Å; L162-F233 HydrophobicContact CD1-CD1 4.02Å; L162-F233 HydrophobicContact CD1-CE1 4Å; L231-F233 HydrophobicContact CB-CD1 4.23Å; L231-F233 HydrophobicContact CB-CE1 3.99Å; F233-G235 PolarHBondContact O-N 3.18Å; F233-L286 HydrophobicContact CE2-CD1 4.16Å; F233-L286 HydrophobicContact CE2-CD2 4.03Å; F233-L286 HydrophobicContact CZ-CD1 3.9Å; F233-L286 HydrophobicContact CZ-CD2 3.65Å; F233-L286 HydrophobicContact CZ-CG 4.45Å; F233-V381 HydrophobicContact CD2-CB 4.43Å; F233-V381 HydrophobicContact CE1-CG1 4.21Å; F233-V381 HydrophobicContact CE2-CB 4.19Å; F233-V381 HydrophobicContact CE2-CG1 4.28Å; F233-V381 HydrophobicContact CE2-CG2 4.43Å; F233-V381 HydrophobicContact CZ-CB 4.28Å; F233-V381 HydrophobicContact CZ-CG1 3.9Å; F233-V381 PolarHBondContact N-O 3.27Å; F233-V381 PolarHBondContact O-N 3.22Å
234L95.7Very high94.6Very high20 Ų2030.9 Ų30.911%0.10517%0.171CC..EExtended strand (participates in β ladder)trans-63.9128.7174.3-72.286.5000110.3H163 Y278 Y378 I380H163-L234 WeakPolarHBondContact CE1-CD1 3.24Å; H163-L234 PolarHBondContact ND1-N 3.47Å; L234-Y278 WeakPolarHBondContact CB-OH 3.48Å; L234-Y278 VanDerWaalsContact CD2-OH 3.24Å; L234-Y278 WeakPolarHBondContact CD2-OH 3.36Å; L234-Y378 HydrophobicContact CD2-CD1 3.51Å; L234-Y378 HydrophobicContact CD2-CE1 3.87Å; L234-Y378 HydrophobicContact CD2-CG 4.03Å; L234-I380 HydrophobicContact CG-CD1 4.24Å
235G96.1Very high93.9Very high1 Ų131.8 Ų31.81%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-138.1-153.2173.200000110.4F233 A281 A379F233-G235 PolarHBondContact O-N 3.18Å; G235-A281 CarbonylContact C-O 3.57Å; G235-A281 WeakPolarHBondContact CA-O 3.32Å; G235-A379 PolarHBondContact N-O 3.35Å
236R94.9Very high93.2Very high3 Ų328.9 Ų28.91%0.01116%0.155CC..EExtended strand (participates in β ladder)trans-147.6150.2177.261.5-178.4-166.4-106.52.2111.3S238 L239 S246 Y279 A280 A281 S282 E285R236-S238 VanDerWaalsContact CD-O 3.29Å; R236-S238 WeakPolarHBondContact CD-O 3.4Å; R236-S238 VanDerWaalsContact CG-O 3.3Å; R236-S238 WeakPolarHBondContact CG-O 3.47Å; R236-S238 PolarHBondContact NE-O 2.97Å; R236-S238 VanDerWaalsContact NE-O 3.14Å; R236-L239 PolarHBondContact NH2-O 3.3Å; R236-S246 WeakPolarHBondContact CB-OG 3.45Å; R236-S246 WeakPolarHBondContact CD-OG 3.45Å; R236-Y279 PolarHBondContact NH1-OH 2.91Å; R236-Y279 PolarHBondContact NH2-OH 2.84Å; R236-Y279 VanDerWaalsContact NH2-OH 3.15Å; R236-A280 WeakPolarHBondContact CD-O 3.49Å; R236-A280 WeakPolarHBondContact CG-O 3.41Å; R236-A280 PolarHBondContact NH1-O 3.06Å; R236-A281 PolarHBondContact N-O 2.83Å; R236-S282 WeakPolarHBondContact O-CA 3.38Å; R236-E285 IonicContact CZ-OE1 3.77Å; R236-E285 IonicContact CZ-OE2 3.75Å; R236-E285 IonicContact NH1-OE2 2.78Å; R236-E285 IonicContact NH2-OE1 2.97Å; R236-E285 PolarHBondContact NH2-OE1 2.96Å; R236-E285 IonicContact NH2-OE2 2.8Å; R236-E285 PolarHBondContact NH2-OE2 2.78Å; R236-E285 VanDerWaalsContact NH2-OE2 3.09Å
237R92.2Very high92.3Very high71 Ų7128 Ų2827%0.26815%0.145SC..SBendtrans-82.7-35.3171.4-63.4-177.7177.499.61.5112.1E245 I303 Y318R237-E245 WeakPolarHBondContact CB-OE2 3.34Å; R237-E245 IonicContact CZ-OE1 3.17Å; R237-E245 PolarHBondContact N-OE2 3.41Å; R237-E245 IonicContact NH1-OE1 2.92Å; R237-E245 PolarHBondContact NH1-OE1 2.86Å; R237-I303 HydrophobicContact CG-CB 4.42Å; R237-I303 HydrophobicContact CG-CD1 4.44Å; R237-I303 HydrophobicContact CG-CG2 3.75Å; R237-I303 PolarHBondContact NH2-O 3.19Å; R237-I303 VanDerWaalsContact NH2-O 3.11Å; R237-Y318 PolarHBondContact NH1-OH 3.01Å
238S91.5Very high92Very high42 Ų4230.9 Ų30.929%0.29416%0.156SC..SBendtrans-75.9147.2-179.1-173.60000111.9R236 D240R236-S238 VanDerWaalsContact CD-O 3.29Å; R236-S238 WeakPolarHBondContact CD-O 3.4Å; R236-S238 VanDerWaalsContact CG-O 3.3Å; R236-S238 WeakPolarHBondContact CG-O 3.47Å; R236-S238 PolarHBondContact NE-O 2.97Å; R236-S238 VanDerWaalsContact NE-O 3.14Å; S238-D240 PolarHBondContact O-N 2.94Å; S238-D240 PolarHBondContact OG-N 3.03Å
239L92Very high91.8Very high122 Ų12230 Ų3064%0.63915%0.153SC*.SBendtrans-67.5-26.5166.7-66.2175.7000111.9R236 P241 E284R236-L239 PolarHBondContact NH2-O 3.3Å; L239-P241 WeakPolarHBondContact O-CD 3.48Å; L239-E284 HydrophobicContact CD2-CB 4.15Å; L239-E284 HydrophobicContact CD2-CG 3.89Å; L239-E284 WeakPolarHBondContact CD2-OE2 3.44Å
240D92.5Very high91.7Very high73 Ų7330.6 Ų30.639%0.3916%0.155SC..  trans-78.6114.1178.1-179.6-1.7000110.8S238 T242 T243S238-D240 PolarHBondContact O-N 2.94Å; S238-D240 PolarHBondContact OG-N 3.03Å; D240-T242 VanDerWaalsContact CG-OG1 3.26Å; D240-T242 PolarHBondContact O-N 2.75Å; D240-T242 WeakPolarHBondContact OD1-CB 3.34Å; D240-T242 WeakPolarHBondContact OD1-CG2 3.26Å; D240-T242 PolarHBondContact OD1-N 3.03Å; D240-T242 PolarHBondContact OD1-OG1 3.05Å; D240-T242 PolarHBondContact OD2-OG1 3.4Å; D240-T243 HydrophobicContact CB-CG2 4.07Å; D240-T243 WeakPolarHBondContact O-CG2 3.17Å; D240-T243 PolarHBondContact O-N 2.98Å; D240-T243 PolarHBondContact O-OG1 3.39Å
241P92.7Very high91.6Very high19 Ų1932 Ų3212%0.12316%0.162CC..THydrogen-bonded Turntrans-71.2-5.4-179.632.4-37.3000113.8I192 L239 S246I192-P241 HydrophobicContact CD1-CB 4.33Å; I192-P241 HydrophobicContact CG2-CB 4.14Å; I192-P241 HydrophobicContact CG2-CG 4.23Å; L239-P241 WeakPolarHBondContact O-CD 3.48Å; P241-S246 WeakPolarHBondContact O-CB 2.95Å; P241-S246 PolarHBondContact O-OG 3.07Å
242T92.1Very high91.5Very high22 Ų2232.1 Ų32.114%0.13516%0.163CC..THydrogen-bonded Turntrans-96.43.8-178.274.40000113.5I192 S193 D240I192-T242 HydrophobicContact CG2-CG2 3.94Å; S193-T242 WeakPolarHBondContact O-CG2 3.36Å; D240-T242 VanDerWaalsContact CG-OG1 3.26Å; D240-T242 PolarHBondContact O-N 2.75Å; D240-T242 WeakPolarHBondContact OD1-CB 3.34Å; D240-T242 WeakPolarHBondContact OD1-CG2 3.26Å; D240-T242 PolarHBondContact OD1-N 3.03Å; D240-T242 PolarHBondContact OD1-OG1 3.05Å; D240-T242 PolarHBondContact OD2-OG1 3.4Å
243T89.6Confident91.5Very high39 Ų3932.1 Ų32.124%0.23916%0.162CC..SBendtrans-69.9154.3176.752.20000111.9D240 E245 S246D240-T243 HydrophobicContact CB-CG2 4.07Å; D240-T243 WeakPolarHBondContact O-CG2 3.17Å; D240-T243 PolarHBondContact O-N 2.98Å; D240-T243 PolarHBondContact O-OG1 3.39Å; T243-E245 PolarHBondContact O-N 2.86Å; T243-S246 VanDerWaalsContact O-CB 3.28Å; T243-S246 WeakPolarHBondContact O-CB 3.42Å; T243-S246 PolarHBondContact O-N 2.85Å; T243-S246 PolarHBondContact OG1-OG 2.73Å
244E83.7Confident91.5Very high93 Ų9332.1 Ų32.144%0.43516%0.163SC..THydrogen-bonded Turntrans-62.4-29.7-176.3-65.8179.4-170.800113.2S246 Y248 Y370E244-S246 PolarHBondContact O-N 2.89Å; E244-Y248 HydrophobicContact CB-CG 4.42Å; E244-Y248 HydrophobicContact CG-CD2 4.18Å; E244-Y248 HydrophobicContact CG-CG 4.23Å; E244-Y248 WeakPolarHBondContact O-CB 3.3Å; E244-Y248 PolarHBondContact O-N 2.81Å; E244-Y370 VanDerWaalsContact CD-OH 3.3Å; E244-Y370 PolarHBondContact OE2-OH 2.88Å
245E81.3Confident91.6Very high42 Ų4234.9 Ų34.920%0.19618%0.175CC..THydrogen-bonded Turntrans-63-25173.6-66.2-169.815200112.8R237 T243 C247 A379R237-E245 WeakPolarHBondContact CB-OE2 3.34Å; R237-E245 IonicContact CZ-OE1 3.17Å; R237-E245 PolarHBondContact N-OE2 3.41Å; R237-E245 IonicContact NH1-OE1 2.92Å; R237-E245 PolarHBondContact NH1-OE1 2.86Å; T243-E245 PolarHBondContact O-N 2.86Å; E245-C247 PolarHBondContact O-N 2.81Å; E245-A379 HydrophobicContact CB-CB 4.47Å
246S81.5Confident91.8Very high3 Ų334.8 Ų34.82%0.02117%0.174CC..THydrogen-bonded Turntrans-79.934.4-176.4-53.80000112.9Y191 R236 P241 T243 E244Y191-S246 WeakPolarHBondContact CE1-O 3.35Å; R236-S246 WeakPolarHBondContact CB-OG 3.45Å; R236-S246 WeakPolarHBondContact CD-OG 3.45Å; P241-S246 WeakPolarHBondContact O-CB 2.95Å; P241-S246 PolarHBondContact O-OG 3.07Å; T243-S246 VanDerWaalsContact O-CB 3.28Å; T243-S246 WeakPolarHBondContact O-CB 3.42Å; T243-S246 PolarHBondContact O-N 2.85Å; T243-S246 PolarHBondContact OG1-OG 2.73Å; E244-S246 PolarHBondContact O-N 2.89Å
247C76.9Confident91.9Very high8 Ų834.7 Ų34.75%0.05417%0.174CC..THydrogen-bonded Turntrans71.258.9-178-158.40000114.8E245 Q249 W250 Y278E245-C247 PolarHBondContact O-N 2.81Å; C247-Q249 PolarHBondContact O-N 3.28Å; C247-W250 PolarHBondContact O-N 2.93Å; C247-W250 PolarHBondContact SG-NE1 3.39Å; C247-Y278 HydrophobicContact CB-CE1 3.65Å
248Y90.3Very high92.2Very high61 Ų6132.7 Ų32.724%0.23917%0.168CC..THydrogen-bonded Turntrans-55.6-12.9173.6-169.4-117.8000115.1E244 W250 E251 L252 W308 Y370E244-Y248 HydrophobicContact CB-CG 4.42Å; E244-Y248 HydrophobicContact CG-CD2 4.18Å; E244-Y248 HydrophobicContact CG-CG 4.23Å; E244-Y248 WeakPolarHBondContact O-CB 3.3Å; E244-Y248 PolarHBondContact O-N 2.81Å; Y248-W250 PolarHBondContact O-N 3.4Å; Y248-E251 HydrophobicContact CD2-CB 3.82Å; Y248-E251 HydrophobicContact CD2-CG 4.06Å; Y248-E251 HydrophobicContact CE2-CB 3.89Å; Y248-E251 HydrophobicContact CE2-CG 3.59Å; Y248-E251 HydrophobicContact CG-CB 4.49Å; Y248-E251 WeakPolarHBondContact O-CB 3.29Å; Y248-E251 PolarHBondContact O-N 3.24Å; Y248-E251 VanDerWaalsContact O-N 3.08Å; Y248-L252 HydrophobicContact CD1-CD1 4.21Å; Y248-L252 HydrophobicContact CD1-CD2 4.24Å; Y248-L252 HydrophobicContact CD1-CG 4.03Å; Y248-L252 HydrophobicContact CE1-CD1 4.24Å; Y248-L252 HydrophobicContact CE1-CD2 3.59Å; Y248-L252 HydrophobicContact CE1-CG 3.9Å; Y248-L252 PolarHBondContact O-N 2.98Å; Y248-W308 HydrophobicContact CD1-CH2 4.13Å; Y248-Y370 HydrophobicContact CD1-CD1 4.3Å; Y248-Y370 AromaticContact CD1-CE1 3.62Å; Y248-Y370 HydrophobicContact CD1-CE1 3.62Å; Y248-Y370 HydrophobicContact CD1-CE2 4.01Å; Y248-Y370 AromaticContact CD1-CZ 3.49Å; Y248-Y370 VanDerWaalsContact CD1-CZ 3.49Å; Y248-Y370 HydrophobicContact CE1-CD1 4.37Å; Y248-Y370 AromaticContact CE1-CD2 3.96Å; Y248-Y370 HydrophobicContact CE1-CD2 3.96Å; Y248-Y370 AromaticContact CE1-CE1 3.94Å; Y248-Y370 HydrophobicContact CE1-CE1 3.94Å; Y248-Y370 AromaticContact CE1-CE2 3.55Å; Y248-Y370 HydrophobicContact CE1-CE2 3.55Å; Y248-Y370 HydrophobicContact CE1-CG 4.37Å; Y248-Y370 AromaticContact CE1-CZ 3.56Å
249Q94.1Very high92.5Very high8 Ų832.2 Ų32.24%0.03716%0.164CC..Hα-helixtrans-56.4-37.4173.2-69.1-179.8-36.200113.2C247 E251 L252 L253 W308 Y363 Y378C247-Q249 PolarHBondContact O-N 3.28Å; Q249-E251 VanDerWaalsContact C-N 3.28Å; Q249-E251 PolarHBondContact O-N 2.97Å; Q249-L252 PolarHBondContact O-N 3.2Å; Q249-L253 WeakPolarHBondContact O-CB 3.22Å; Q249-L253 PolarHBondContact O-N 3.38Å; Q249-W308 HydrophobicContact CB-CH2 4.29Å; Q249-W308 HydrophobicContact CG-CD2 3.89Å; Q249-W308 HydrophobicContact CG-CE3 3.79Å; Q249-W308 HydrophobicContact CG-CH2 3.3Å; Q249-W308 HydrophobicContact CG-CZ2 3.42Å; Q249-W308 VanDerWaalsContact CG-CZ2 3.42Å; Q249-W308 HydrophobicContact CG-CZ3 3.5Å; Q249-W308 VanDerWaalsContact CG-CZ3 3.5Å; Q249-Y363 WeakPolarHBondContact CB-OH 3.35Å; Q249-Y378 VanDerWaalsContact CD-OH 3.25Å; Q249-Y378 PolarHBondContact NE2-OH 3.13Å; Q249-Y378 VanDerWaalsContact OE1-CE1 3.25Å; Q249-Y378 PolarHBondContact OE1-OH 2.81Å; Q249-Y378 VanDerWaalsContact OE1-OH 3.07Å
250W96.1Very high92.8Very high12 Ų1226.4 Ų26.45%0.04513%0.134CC..Hα-helixtrans-63.9-34.8176.3-67.8113.3000112.4W164 I190 Y191 C247 Y248 L253 A254 A276 Y278 V343 M346W164-W250 HydrophobicContact CH2-CH2 4.29Å; W164-W250 AromaticContact CH2-CZ2 3.91Å; W164-W250 HydrophobicContact CH2-CZ2 3.91Å; W164-W250 HydrophobicContact CZ3-CH2 4.41Å; W164-W250 HydrophobicContact CZ3-CZ2 4.07Å; I190-W250 HydrophobicContact CD1-CE3 3.66Å; I190-W250 HydrophobicContact CD1-CZ3 4.23Å; I190-W250 HydrophobicContact CG1-CB 4.39Å; I190-W250 HydrophobicContact CG1-CE3 3.92Å; Y191-W250 HydrophobicContact CD1-CB 4.01Å; Y191-W250 AromaticContact CD1-CD1 3.61Å; Y191-W250 HydrophobicContact CD1-CG 4Å; Y191-W250 HydrophobicContact CG-CB 4.21Å; Y191-W250 AromaticContact CG-CD1 3.95Å; Y191-W250 HydrophobicContact CG-CG 4.09Å; C247-W250 PolarHBondContact O-N 2.93Å; C247-W250 PolarHBondContact SG-NE1 3.39Å; Y248-W250 PolarHBondContact O-N 3.4Å; W250-L253 HydrophobicContact CE3-CD2 4.04Å; W250-L253 HydrophobicContact CZ3-CD2 4.05Å; W250-L253 PolarHBondContact O-N 3.48Å; W250-A254 WeakPolarHBondContact O-CB 3.48Å; W250-A254 PolarHBondContact O-N 3.22Å; W250-A276 HydrophobicContact CD2-CB 4.26Å; W250-A276 HydrophobicContact CE3-CB 4.08Å; W250-A276 HydrophobicContact CH2-CB 3.69Å; W250-A276 HydrophobicContact CZ2-CB 3.89Å; W250-A276 HydrophobicContact CZ3-CB 3.81Å; W250-Y278 HydrophobicContact CZ2-CD2 4.37Å; W250-Y278 HydrophobicContact CZ2-CG 4.29Å; W250-Y278 AromaticContact NE1-CD1 3.51Å; W250-Y278 AromaticContact NE1-CD2 3.97Å; W250-Y278 AromaticContact NE1-CE1 3.88Å; W250-Y278 AromaticContact NE1-CG 3.58Å; W250-V343 HydrophobicContact CH2-CB 4.23Å; W250-V343 HydrophobicContact CH2-CG1 3.52Å; W250-V343 HydrophobicContact CZ2-CG1 4.18Å; W250-V343 HydrophobicContact CZ3-CG1 4.09Å; W250-M346 HydrophobicContact CH2-CE 4.3Å
251E96.1Very high93.1Very high31 Ų3123.6 Ų23.615%0.14512%0.121CC..Hα-helixtrans-66.6-44.3175.817965.4-146.900110.8K189 S193 Y248 Q249 L253 A254 Q255K189-E251 WeakPolarHBondContact CD-OE2 3.37Å; K189-E251 VanDerWaalsContact NZ-CD 3.35Å; K189-E251 IonicContact NZ-OE1 3.09Å; K189-E251 PolarHBondContact NZ-OE1 3.23Å; K189-E251 IonicContact NZ-OE2 3.46Å; K189-E251 PolarHBondContact NZ-OE2 2.82Å; S193-E251 VanDerWaalsContact CB-OE2 3.24Å; S193-E251 WeakPolarHBondContact CB-OE2 3.48Å; S193-E251 PolarHBondContact OG-OE2 3.32Å; Y248-E251 HydrophobicContact CD2-CB 3.82Å; Y248-E251 HydrophobicContact CD2-CG 4.06Å; Y248-E251 HydrophobicContact CE2-CB 3.89Å; Y248-E251 HydrophobicContact CE2-CG 3.59Å; Y248-E251 HydrophobicContact CG-CB 4.49Å; Y248-E251 WeakPolarHBondContact O-CB 3.29Å; Y248-E251 PolarHBondContact O-N 3.24Å; Y248-E251 VanDerWaalsContact O-N 3.08Å; Q249-E251 VanDerWaalsContact C-N 3.28Å; Q249-E251 PolarHBondContact O-N 2.97Å; E251-L253 VanDerWaalsContact C-N 3.33Å; E251-L253 PolarHBondContact O-N 3.28Å; E251-A254 PolarHBondContact O-N 3.28Å; E251-Q255 WeakPolarHBondContact O-CG 3.16Å; E251-Q255 PolarHBondContact O-N 2.86Å
252L97.5Very high93.3Very high4 Ų431 Ų312%0.02115%0.151CC..Hα-helixtrans-67.1-34.6176.9-61.1-174000112.4Y248 Q249 Q255 A256 W308 Y363 I366 V367 Y370Y248-L252 HydrophobicContact CD1-CD1 4.21Å; Y248-L252 HydrophobicContact CD1-CD2 4.24Å; Y248-L252 HydrophobicContact CD1-CG 4.03Å; Y248-L252 HydrophobicContact CE1-CD1 4.24Å; Y248-L252 HydrophobicContact CE1-CD2 3.59Å; Y248-L252 HydrophobicContact CE1-CG 3.9Å; Y248-L252 PolarHBondContact O-N 2.98Å; Q249-L252 PolarHBondContact O-N 3.2Å; L252-Q255 WeakPolarHBondContact O-CB 3.29Å; L252-Q255 PolarHBondContact O-N 3.33Å; L252-A256 PolarHBondContact O-N 2.79Å; L252-A256 VanDerWaalsContact O-N 3.12Å; L252-W308 HydrophobicContact CD1-CH2 3.96Å; L252-W308 HydrophobicContact CD1-CZ3 3.9Å; L252-Y363 HydrophobicContact CB-CD2 4.31Å; L252-Y363 HydrophobicContact CB-CE2 3.73Å; L252-I366 HydrophobicContact CB-CG2 3.94Å; L252-I366 HydrophobicContact CD1-CG2 4.47Å; L252-I366 HydrophobicContact CD2-CG2 3.77Å; L252-I366 HydrophobicContact CG-CG2 4.25Å; L252-V367 HydrophobicContact CB-CG2 4.48Å; L252-V367 HydrophobicContact CD1-CG2 3.98Å; L252-Y370 HydrophobicContact CD1-CD1 3.82Å; L252-Y370 HydrophobicContact CD1-CE1 4.5Å; L252-Y370 HydrophobicContact CD1-CG 4.08Å
253L98.2Very high93.6Very high0 Ų035.6 Ų35.60%017%0.171CC..Hα-helixtrans-70.9-40.1175.9-178.261.7000111.4I190 Q249 W250 E251 Q255 A256 L257 V343 L347 L359 F360 Y363I190-L253 HydrophobicContact CD1-CB 3.95Å; I190-L253 HydrophobicContact CD1-CD2 3.75Å; I190-L253 HydrophobicContact CD1-CG 3.73Å; Q249-L253 WeakPolarHBondContact O-CB 3.22Å; Q249-L253 PolarHBondContact O-N 3.38Å; W250-L253 HydrophobicContact CE3-CD2 4.04Å; W250-L253 HydrophobicContact CZ3-CD2 4.05Å; W250-L253 PolarHBondContact O-N 3.48Å; E251-L253 VanDerWaalsContact C-N 3.33Å; E251-L253 PolarHBondContact O-N 3.28Å; L253-Q255 VanDerWaalsContact C-N 3.29Å; L253-Q255 PolarHBondContact O-N 3.48Å; L253-A256 WeakPolarHBondContact O-CB 3.35Å; L253-A256 PolarHBondContact O-N 3.42Å; L253-L257 PolarHBondContact O-N 3.45Å; L253-V343 HydrophobicContact CD2-CG2 4.07Å; L253-L347 HydrophobicContact CD2-CD1 4.18Å; L253-L359 HydrophobicContact CD1-CD1 4.11Å; L253-L359 HydrophobicContact CD1-CD2 4.37Å; L253-L359 HydrophobicContact CD1-CG 4.28Å; L253-F360 HydrophobicContact CD1-CE1 4.41Å; L253-Y363 HydrophobicContact CB-CD2 3.96Å; L253-Y363 HydrophobicContact CB-CE2 3.74Å; L253-Y363 HydrophobicContact CD1-CD2 4.04Å; L253-Y363 HydrophobicContact CD1-CE2 4.47Å; L253-Y363 HydrophobicContact CD1-CG 4.09Å
254A97.6Very high94Very high1 Ų136.8 Ų36.81%0.00819%0.192CC..Hα-helixtrans-59-40.9170.800000111.6I190 W250 E251 A256 L257 M258I190-A254 HydrophobicContact CD1-CB 4.36Å; I190-A254 HydrophobicContact CG1-CB 4.13Å; W250-A254 WeakPolarHBondContact O-CB 3.48Å; W250-A254 PolarHBondContact O-N 3.22Å; E251-A254 PolarHBondContact O-N 3.28Å; A254-A256 VanDerWaalsContact C-N 3.33Å; A254-A256 PolarHBondContact O-N 3.39Å; A254-L257 PolarHBondContact O-N 3.29Å; A254-M258 WeakPolarHBondContact O-CB 3.39Å; A254-M258 VanDerWaalsContact O-CG 3.28Å; A254-M258 WeakPolarHBondContact O-CG 3.3Å; A254-M258 PolarHBondContact O-N 3.33Å
255Q97.8Very high94.6Very high77 Ų7735.4 Ų35.436%0.3619%0.187SC..Hα-helixtrans-61.6-40.3175.3-71171.823.300112.4E251 L252 L253 M258 S259 I366E251-Q255 WeakPolarHBondContact O-CG 3.16Å; E251-Q255 PolarHBondContact O-N 2.86Å; L252-Q255 WeakPolarHBondContact O-CB 3.29Å; L252-Q255 PolarHBondContact O-N 3.33Å; L253-Q255 VanDerWaalsContact C-N 3.29Å; L253-Q255 PolarHBondContact O-N 3.48Å; Q255-M258 PolarHBondContact O-N 3.39Å; Q255-S259 PolarHBondContact O-N 2.67Å; Q255-I366 HydrophobicContact CB-CD1 4.22Å
256A98.5Very high95.3Very high0 Ų034.1 Ų34.10%018%0.181CC..Hα-helixtrans-61.6-48.8175.300000111.1L252 L253 A254 S259 M260 L359 R362 I366L252-A256 PolarHBondContact O-N 2.79Å; L252-A256 VanDerWaalsContact O-N 3.12Å; L253-A256 WeakPolarHBondContact O-CB 3.35Å; L253-A256 PolarHBondContact O-N 3.42Å; A254-A256 VanDerWaalsContact C-N 3.33Å; A254-A256 PolarHBondContact O-N 3.39Å; A256-S259 WeakPolarHBondContact O-CB 3.41Å; A256-S259 PolarHBondContact O-N 3.35Å; A256-S259 PolarHBondContact O-OG 3.02Å; A256-M260 PolarHBondContact O-N 2.93Å; A256-L359 HydrophobicContact CB-CD1 3.73Å; A256-R362 HydrophobicContact CB-CB 4.28Å; A256-I366 HydrophobicContact CB-CD1 3.91Å
257L98.4Very high96.1Very high0 Ų039 Ų390%020%0.204CC..Hα-helixtrans-57.9-49.8175.2-71.3166.9000111.6I190 L253 A254 S259 M260 A261 I266 I271 F351 L359I190-L257 HydrophobicContact CD1-CD1 4.1Å; I190-L257 HydrophobicContact CG2-CD1 3.84Å; L253-L257 PolarHBondContact O-N 3.45Å; A254-L257 PolarHBondContact O-N 3.29Å; L257-S259 PolarHBondContact O-N 2.62Å; L257-M260 WeakPolarHBondContact O-CA 3.29Å; L257-M260 WeakPolarHBondContact O-CB 3.18Å; L257-M260 PolarHBondContact O-N 3.01Å; L257-A261 PolarHBondContact O-N 3.2Å; L257-I266 HydrophobicContact CB-CD1 4.07Å; L257-I266 HydrophobicContact CD2-CD1 3.65Å; L257-I266 WeakPolarHBondContact O-CD1 3.28Å; L257-I271 HydrophobicContact CB-CD1 3.83Å; L257-I271 HydrophobicContact CB-CG1 4.16Å; L257-F351 HydrophobicContact CD1-CE2 4.19Å; L257-F351 HydrophobicContact CD1-CZ 4.04Å; L257-F351 HydrophobicContact CD2-CD1 4.19Å; L257-F351 HydrophobicContact CD2-CD2 4.22Å; L257-F351 HydrophobicContact CD2-CE1 4.17Å; L257-F351 HydrophobicContact CD2-CE2 4.2Å; L257-F351 HydrophobicContact CD2-CG 4.23Å; L257-F351 HydrophobicContact CD2-CZ 4.18Å; L257-L359 HydrophobicContact CD2-CD1 3.7Å; L257-L359 HydrophobicContact CD2-CD2 3.77Å; L257-L359 HydrophobicContact CD2-CG 4.38Å; L257-L359 HydrophobicContact CG-CD1 3.82Å; L257-L359 HydrophobicContact CG-CD2 4.44Å
258M97.9Very high97Very high30 Ų3043 Ų4315%0.14822%0.222CC..Hα-helixtrans-61.9-30.5179-71.6-58.2-64.600112.8A254 Q255 M260 A261 K262 E268 I271A254-M258 WeakPolarHBondContact O-CB 3.39Å; A254-M258 VanDerWaalsContact O-CG 3.28Å; A254-M258 WeakPolarHBondContact O-CG 3.3Å; A254-M258 PolarHBondContact O-N 3.33Å; Q255-M258 PolarHBondContact O-N 3.39Å; M258-M260 VanDerWaalsContact C-N 3.34Å; M258-A261 PolarHBondContact O-N 2.68Å; M258-K262 VanDerWaalsContact O-CG 3.31Å; M258-K262 WeakPolarHBondContact O-CG 3.46Å; M258-K262 PolarHBondContact O-N 3Å; M258-K262 VanDerWaalsContact O-N 3.08Å; M258-E268 HydrophobicContact CE-CG 4.03Å; M258-E268 HydrophobicContact SD-CG 4.32Å; M258-I271 HydrophobicContact CG-CD1 4.33Å; M258-I271 HydrophobicContact SD-CB 4.4Å; M258-I271 HydrophobicContact SD-CD1 3.54Å; M258-I271 VanDerWaalsContact SD-CD1 3.54Å; M258-I271 HydrophobicContact SD-CG2 4.07Å
259S98.2Very high97.2Very high31 Ų3146.3 Ų46.322%0.21724%0.239CC..Hα-helixtrans-65.5-39.1173.180.80000111.9Q255 A256 L257 K262 E263 R362Q255-S259 PolarHBondContact O-N 2.67Å; A256-S259 WeakPolarHBondContact O-CB 3.41Å; A256-S259 PolarHBondContact O-N 3.35Å; A256-S259 PolarHBondContact O-OG 3.02Å; L257-S259 PolarHBondContact O-N 2.62Å; S259-K262 PolarHBondContact O-N 3.18Å; S259-E263 PolarHBondContact O-N 3.2Å; S259-R362 PolarHBondContact OG-NH1 3.45Å
260M98.4Very high97.2Very high0 Ų049.4 Ų49.40%025%0.252CS..Hα-helixtrans-70.5-35.9176.7-64.117877.400111.3A256 L257 M258 E263 G264 I265 I266 V355 E358 L359A256-M260 PolarHBondContact O-N 2.93Å; L257-M260 WeakPolarHBondContact O-CA 3.29Å; L257-M260 WeakPolarHBondContact O-CB 3.18Å; L257-M260 PolarHBondContact O-N 3.01Å; M258-M260 VanDerWaalsContact C-N 3.34Å; M260-E263 PolarHBondContact O-N 3.42Å; M260-G264 PolarHBondContact O-N 3.39Å; M260-I265 HydrophobicContact CB-CB 4.16Å; M260-I265 HydrophobicContact CB-CD1 4.45Å; M260-I265 HydrophobicContact CE-CB 4.43Å; M260-I265 HydrophobicContact CE-CD1 4.49Å; M260-I265 HydrophobicContact CE-CG2 3.7Å; M260-I265 HydrophobicContact CG-CD1 4.49Å; M260-I265 PolarHBondContact O-N 3.47Å; M260-I266 HydrophobicContact CB-CD1 4.03Å; M260-I266 HydrophobicContact CB-CG1 3.9Å; M260-V355 HydrophobicContact CE-CB 3.85Å; M260-E358 HydrophobicContact CE-CB 4.09Å; M260-E358 HydrophobicContact CE-CG 4.06Å; M260-L359 HydrophobicContact SD-CB 3.83Å; M260-L359 HydrophobicContact SD-CD1 3.99Å
261A97.9Very high97.2Very high15 Ų1548.9 Ų48.912%0.12425%0.25CS..Hα-helixtrans-63.7-43174.600000112.6L257 M258 E263 G264 I266 E268 I271L257-A261 PolarHBondContact O-N 3.2Å; M258-A261 PolarHBondContact O-N 2.68Å; A261-E263 PolarHBondContact O-N 3.4Å; A261-G264 PolarHBondContact O-N 3.14Å; A261-I266 VanDerWaalsContact CA-O 3.31Å; A261-I266 WeakPolarHBondContact CA-O 3.4Å; A261-I266 HydrophobicContact CB-CG1 4.07Å; A261-E268 HydrophobicContact CB-CB 4.29Å; A261-I271 HydrophobicContact CB-CD1 3.73Å
262K97.8Very high97.1Very high174 Ų17448.2 Ų48.276%0.75725%0.248SC*.Hα-helixtrans-60.5-28.1175.4-73.5171.5-176.7177.90113.5M258 S259 G264M258-K262 VanDerWaalsContact O-CG 3.31Å; M258-K262 WeakPolarHBondContact O-CG 3.46Å; M258-K262 PolarHBondContact O-N 3Å; M258-K262 VanDerWaalsContact O-N 3.08Å; S259-K262 PolarHBondContact O-N 3.18Å; K262-G264 VanDerWaalsContact C-N 3.34Å
263E98Very high96.7Very high118 Ų11851.8 Ų51.855%0.55128%0.278SS*.THydrogen-bonded Turntrans-89.4-1.1176.4-68.6176.4-141.700112.8S259 M260 A261 I265 R362S259-E263 PolarHBondContact O-N 3.2Å; M260-E263 PolarHBondContact O-N 3.42Å; A261-E263 PolarHBondContact O-N 3.4Å; E263-I265 VanDerWaalsContact C-N 3.31Å; E263-I265 HydrophobicContact CB-CD1 4.13Å; E263-I265 HydrophobicContact CB-CG1 4.13Å; E263-I265 PolarHBondContact O-N 2.8Å; E263-R362 VanDerWaalsContact CD-NH2 3.29Å; E263-R362 IonicContact OE1-CZ 2.87Å; E263-R362 IonicContact OE1-NH1 3.83Å; E263-R362 PolarHBondContact OE1-NH1 2.97Å; E263-R362 IonicContact OE1-NH2 3.5Å; E263-R362 PolarHBondContact OE1-NH2 2.91Å; E263-R362 IonicContact OE2-CZ 2.68Å; E263-R362 IonicContact OE2-NH1 3.31Å; E263-R362 IonicContact OE2-NH2 3.6Å; E263-R362 PolarHBondContact OE2-NH2 2.97Å
264G97Very high96.5Very high65 Ų6552.1 Ų52.167%0.6728%0.279SS*.THydrogen-bonded Turntrans74.616-18000000114.5M260 A261 K262M260-G264 PolarHBondContact O-N 3.39Å; A261-G264 PolarHBondContact O-N 3.14Å; K262-G264 VanDerWaalsContact C-N 3.34Å
265I97.4Very high96.3Very high64 Ų6452.4 Ų52.433%0.32828%0.281SS..SBendtrans-77-36.2179.3-57.4171.5000110.7M260 E263 V355 E358M260-I265 HydrophobicContact CB-CB 4.16Å; M260-I265 HydrophobicContact CB-CD1 4.45Å; M260-I265 HydrophobicContact CE-CB 4.43Å; M260-I265 HydrophobicContact CE-CD1 4.49Å; M260-I265 HydrophobicContact CE-CG2 3.7Å; M260-I265 HydrophobicContact CG-CD1 4.49Å; M260-I265 PolarHBondContact O-N 3.47Å; E263-I265 VanDerWaalsContact C-N 3.31Å; E263-I265 HydrophobicContact CB-CD1 4.13Å; E263-I265 HydrophobicContact CB-CG1 4.13Å; E263-I265 PolarHBondContact O-N 2.8Å; I265-V355 HydrophobicContact CG2-CG1 4.14Å; I265-E358 WeakPolarHBondContact CD1-OE1 3.4Å
266I96.7Very high96.2Very high15 Ų1548.7 Ų48.78%0.07726%0.264CS..SBendtrans-130.2154.6174.863.2177.7000110.5L257 M260 A261 I271 F351 V355L257-I266 HydrophobicContact CB-CD1 4.07Å; L257-I266 HydrophobicContact CD2-CD1 3.65Å; L257-I266 WeakPolarHBondContact O-CD1 3.28Å; M260-I266 HydrophobicContact CB-CD1 4.03Å; M260-I266 HydrophobicContact CB-CG1 3.9Å; A261-I266 VanDerWaalsContact CA-O 3.31Å; A261-I266 WeakPolarHBondContact CA-O 3.4Å; A261-I266 HydrophobicContact CB-CG1 4.07Å; I266-I271 HydrophobicContact CD1-CD1 3.84Å; I266-I271 HydrophobicContact CD1-CG1 4.06Å; I266-I271 HydrophobicContact CG1-CD1 4.33Å; I266-F351 HydrophobicContact CD1-CD1 4.12Å; I266-F351 HydrophobicContact CD1-CE1 4.39Å; I266-V355 HydrophobicContact CG2-CB 4.45Å; I266-V355 HydrophobicContact CG2-CG1 4.15Å; I266-V355 HydrophobicContact CG2-CG2 4.18Å
267E96.6Very high96Very high106 Ų10648.7 Ų48.750%0.49526%0.264SS..  trans-76.3132.4175.7-68.1154-122.200110.1E269 K270E267-E269 PolarHBondContact O-N 2.98Å; E267-K270 HydrophobicContact CB-CD 4.12Å; E267-K270 HydrophobicContact CB-CG 4.07Å; E267-K270 WeakPolarHBondContact O-CB 3.4Å; E267-K270 PolarHBondContact O-N 2.87Å; E267-K270 WeakPolarHBondContact OE1-CE 3.36Å; E267-K270 IonicContact OE1-NZ 2.81Å; E267-K270 PolarHBondContact OE1-NZ 2.82Å; E267-K270 WeakPolarHBondContact OE2-CE 3.25Å; E267-K270 IonicContact OE2-NZ 3.78Å
268E96.3Very high95.9Very high92 Ų9249 Ų4943%0.4327%0.265SS..Hα-helixtrans-62.6-35.9178.8-174.1168.4168.400111M258 A261 K270 I271 D272M258-E268 HydrophobicContact CE-CG 4.03Å; M258-E268 HydrophobicContact SD-CG 4.32Å; A261-E268 HydrophobicContact CB-CB 4.29Å; E268-K270 PolarHBondContact O-N 2.9Å; E268-I271 WeakPolarHBondContact O-CA 3.36Å; E268-I271 VanDerWaalsContact O-CB 3.3Å; E268-I271 WeakPolarHBondContact O-CB 3.28Å; E268-I271 PolarHBondContact O-N 3.29Å; E268-D272 PolarHBondContact O-N 2.82Å
269E94.6Very high95.9Very high130 Ų13047.7 Ų47.761%0.60726%0.258SS*.Hα-helixtrans-60.6-29.8178.1-61.480-178.600112.5E267 I271 A273E267-E269 PolarHBondContact O-N 2.98Å; E269-I271 VanDerWaalsContact C-N 3.32Å; E269-A273 VanDerWaalsContact O-CB 3.3Å; E269-A273 WeakPolarHBondContact O-CB 3.19Å; E269-A273 PolarHBondContact O-N 2.92Å
270K94.6Very high95.8Very high73 Ų7346.2 Ų46.232%0.31725%0.248SC..Hα-helixtrans-70.4-31.8174.5-71.1177.6178.5160.70111.8E267 E268 F274 T350 F351E267-K270 HydrophobicContact CB-CD 4.12Å; E267-K270 HydrophobicContact CB-CG 4.07Å; E267-K270 WeakPolarHBondContact O-CB 3.4Å; E267-K270 PolarHBondContact O-N 2.87Å; E267-K270 WeakPolarHBondContact OE1-CE 3.36Å; E267-K270 IonicContact OE1-NZ 2.81Å; E267-K270 PolarHBondContact OE1-NZ 2.82Å; E267-K270 WeakPolarHBondContact OE2-CE 3.25Å; E267-K270 IonicContact OE2-NZ 3.78Å; E268-K270 PolarHBondContact O-N 2.9Å; K270-F274 WeakPolarHBondContact O-CB 3.37Å; K270-F274 PolarHBondContact O-N 3.48Å; K270-T350 HydrophobicContact CB-CG2 4.41Å; K270-F351 HydrophobicContact CB-CD1 4.26Å; K270-F351 HydrophobicContact CB-CE1 3.93Å
271I95.5Very high95.8Very high0 Ų046.2 Ų46.20%025%0.248CC..Hα-helixtrans-71.3-47.9175.5-54171.7000108.8I190 L257 M258 A261 I266 E268 E269 A273 F274 F351I190-I271 HydrophobicContact CG2-CG2 4.1Å; L257-I271 HydrophobicContact CB-CD1 3.83Å; L257-I271 HydrophobicContact CB-CG1 4.16Å; M258-I271 HydrophobicContact CG-CD1 4.33Å; M258-I271 HydrophobicContact SD-CB 4.4Å; M258-I271 HydrophobicContact SD-CD1 3.54Å; M258-I271 VanDerWaalsContact SD-CD1 3.54Å; M258-I271 HydrophobicContact SD-CG2 4.07Å; A261-I271 HydrophobicContact CB-CD1 3.73Å; I266-I271 HydrophobicContact CD1-CD1 3.84Å; I266-I271 HydrophobicContact CD1-CG1 4.06Å; I266-I271 HydrophobicContact CG1-CD1 4.33Å; E268-I271 WeakPolarHBondContact O-CA 3.36Å; E268-I271 VanDerWaalsContact O-CB 3.3Å; E268-I271 WeakPolarHBondContact O-CB 3.28Å; E268-I271 PolarHBondContact O-N 3.29Å; E269-I271 VanDerWaalsContact C-N 3.32Å; I271-A273 VanDerWaalsContact C-N 3.27Å; I271-A273 PolarHBondContact O-N 3.23Å; I271-F274 PolarHBondContact O-N 3.03Å; I271-F351 HydrophobicContact CG1-CE1 3.88Å; I271-F351 HydrophobicContact CG1-CZ 4.43Å
272D93.2Very high95.7Very high17 Ų1745.5 Ų45.59%0.09124%0.242CC..Hα-helixtrans-60.2-37.2-179.7-63.2-27.7000112.6M187 G188 E268 F274M187-D272 WeakPolarHBondContact CA-OD1 3.44Å; M187-D272 HydrophobicContact CE-CB 4.04Å; M187-D272 WeakPolarHBondContact CE-OD2 3.36Å; M187-D272 HydrophobicContact SD-CB 4.11Å; G188-D272 PolarHBondContact N-OD1 3.09Å; E268-D272 PolarHBondContact O-N 2.82Å; D272-F274 VanDerWaalsContact C-N 3.3Å; D272-F274 PolarHBondContact O-N 2.96Å
273A91Very high95.6Very high80 Ų8038 Ų3866%0.66121%0.212SC*.THydrogen-bonded Turntrans-75.6-16.2176.600000113.7E269 I271E269-A273 VanDerWaalsContact O-CB 3.3Å; E269-A273 WeakPolarHBondContact O-CB 3.19Å; E269-A273 PolarHBondContact O-N 2.92Å; I271-A273 VanDerWaalsContact C-N 3.27Å; I271-A273 PolarHBondContact O-N 3.23Å
274F92.9Very high95.6Very high6 Ų636.3 Ų36.33%0.02620%0.204CC..  trans-91122.1-176.2-173.4-78.3000111.1M1 I190 K270 I271 D272 A276 M346 L347 T350 F351M1-F274 HydrophobicContact CE-CD2 3.77Å; M1-F274 HydrophobicContact CE-CE2 3.11Å; M1-F274 HydrophobicContact CE-CZ 3.57Å; I190-F274 WeakPolarHBondContact CA-O 3.39Å; I190-F274 HydrophobicContact CB-CD1 3.72Å; I190-F274 HydrophobicContact CB-CE1 4.15Å; I190-F274 HydrophobicContact CG2-CD1 3.73Å; I190-F274 HydrophobicContact CG2-CE1 4.46Å; I190-F274 HydrophobicContact CG2-CG 4.5Å; K270-F274 WeakPolarHBondContact O-CB 3.37Å; K270-F274 PolarHBondContact O-N 3.48Å; I271-F274 PolarHBondContact O-N 3.03Å; D272-F274 VanDerWaalsContact C-N 3.3Å; D272-F274 PolarHBondContact O-N 2.96Å; F274-A276 HydrophobicContact CE1-CB 4.41Å; F274-M346 WeakPolarHBondContact CE2-O 3.48Å; F274-L347 HydrophobicContact CE1-CD2 3.95Å; F274-L347 HydrophobicContact CE2-CD2 3.92Å; F274-L347 HydrophobicContact CZ-CD2 3.52Å; F274-T350 HydrophobicContact CD2-CG2 4.11Å; F274-F351 HydrophobicContact CB-CE2 4.41Å; F274-F351 HydrophobicContact CB-CZ 3.95Å; F274-F351 AromaticContact CD2-CE2 3.8Å; F274-F351 HydrophobicContact CD2-CE2 3.8Å; F274-F351 HydrophobicContact CD2-CZ 4.19Å; F274-F351 HydrophobicContact CE2-CE2 4.19Å; F274-F351 HydrophobicContact CG-CE2 4.04Å; F274-F351 HydrophobicContact CG-CZ 4.08Å
275N94Very high95.6Very high7 Ų734.5 Ų34.54%0.03718%0.178CC..  trans-131.5127171.8-75.9-81000109.2V168 L184 N186 Y204V168-N275 HydrophobicContact CG1-CB 3.58Å; V168-N275 WeakPolarHBondContact CG1-O 3.45Å; V168-N275 VanDerWaalsContact CG2-O 3.26Å; V168-N275 WeakPolarHBondContact CG2-O 3.38Å; L184-N275 HydrophobicContact CD1-CB 4.26Å; N186-N275 WeakPolarHBondContact CB-OD1 3.42Å; N186-N275 PolarHBondContact ND2-OD1 2.93Å; Y204-N275 WeakPolarHBondContact OH-CB 3.43Å
276A94.6Very high95.6Very high0 Ų031.4 Ų31.40%016%0.162CC..  trans-68.6133.8-178.900000110I190 Y204 W250 F274 Y278I190-A276 WeakPolarHBondContact O-CB 3.48Å; I190-A276 PolarHBondContact O-N 2.94Å; Y204-A276 VanDerWaalsContact CE1-O 3.22Å; Y204-A276 WeakPolarHBondContact CE1-O 3.28Å; Y204-A276 PolarHBondContact OH-N 3.34Å; Y204-A276 PolarHBondContact OH-O 3.45Å; W250-A276 HydrophobicContact CD2-CB 4.26Å; W250-A276 HydrophobicContact CE3-CB 4.08Å; W250-A276 HydrophobicContact CH2-CB 3.69Å; W250-A276 HydrophobicContact CZ2-CB 3.89Å; W250-A276 HydrophobicContact CZ3-CB 3.81Å; F274-A276 HydrophobicContact CE1-CB 4.41Å; A276-Y278 PolarHBondContact O-N 2.82Å
277P95.2Very high95.7Very high0 Ų034.6 Ų34.60%018%0.176CC..SBendtrans-78.163.2173.434.9-36.4000109.7V3 W164 L165 V168 M346V3-P277 HydrophobicContact CG1-CG 4.44Å; V3-P277 HydrophobicContact CG2-CB 3.77Å; V3-P277 HydrophobicContact CG2-CG 3.88Å; W164-P277 CarbonylContact C-O 3.55Å; W164-P277 WeakPolarHBondContact CA-O 3.33Å; L165-P277 HydrophobicContact CB-CB 4.21Å; L165-P277 PolarHBondContact N-O 2.87Å; V168-P277 HydrophobicContact CG2-CB 4.31Å; P277-M346 HydrophobicContact CG-SD 4.22Å
278Y96.3Very high95.8Very high5 Ų534.2 Ų34.22%0.0218%0.175CC..BIsolated β-bridgetrans-132.4144.2-173.5177.3-84.7000110.1H163 W164 Y191 Y204 L234 C247 W250 A276 A280H163-Y278 HydrophobicContact CB-CD2 4.27Å; H163-Y278 HydrophobicContact CB-CE2 3.84Å; H163-Y278 AromaticContact CD2-CD2 3.59Å; H163-Y278 AromaticContact CD2-CE2 3.24Å; H163-Y278 WeakPolarHBondContact CD2-CE2 3.28Å; H163-Y278 AromaticContact CG-CE2 3.66Å; H163-Y278 CarbonylContact O-C 3.48Å; H163-Y278 VanDerWaalsContact O-CA 3.32Å; H163-Y278 WeakPolarHBondContact O-CA 3.43Å; W164-Y278 HydrophobicContact CE3-CD2 4.28Å; W164-Y278 HydrophobicContact CH2-CD2 4.21Å; W164-Y278 HydrophobicContact CZ3-CD2 4.1Å; Y191-Y278 HydrophobicContact CD2-CD1 4.42Å; Y191-Y278 HydrophobicContact CE1-CD1 4.15Å; Y191-Y278 HydrophobicContact CE1-CE1 4.36Å; Y191-Y278 AromaticContact CE2-CD1 3.98Å; Y191-Y278 HydrophobicContact CE2-CD1 3.98Å; Y191-Y278 WeakPolarHBondContact CE2-O 3.24Å; Y191-Y278 AromaticContact CZ-CD1 3.8Å; Y204-Y278 WeakPolarHBondContact CD1-O 3.47Å; Y204-Y278 WeakPolarHBondContact CE1-O 3.15Å; L234-Y278 WeakPolarHBondContact CB-OH 3.48Å; L234-Y278 VanDerWaalsContact CD2-OH 3.24Å; L234-Y278 WeakPolarHBondContact CD2-OH 3.36Å; C247-Y278 HydrophobicContact CB-CE1 3.65Å; W250-Y278 HydrophobicContact CZ2-CD2 4.37Å; W250-Y278 HydrophobicContact CZ2-CG 4.29Å; W250-Y278 AromaticContact NE1-CD1 3.51Å; W250-Y278 AromaticContact NE1-CD2 3.97Å; W250-Y278 AromaticContact NE1-CE1 3.88Å; W250-Y278 AromaticContact NE1-CG 3.58Å; A276-Y278 PolarHBondContact O-N 2.82Å; Y278-A280 HydrophobicContact CE1-CB 3.95Å
279Y97.2Very high95.9Very high3 Ų330.1 Ų30.11%0.01216%0.156CC..  trans-150.9124.3170.2-165.9-106.8000112.8H163 I192 Y204 A205 F208 R236 A281 E285H163-Y279 WeakPolarHBondContact CB-O 3.27Å; H163-Y279 PolarHBondContact O-N 3.07Å; I192-Y279 HydrophobicContact CD1-CD2 3.98Å; I192-Y279 HydrophobicContact CD1-CE2 3.69Å; Y204-Y279 HydrophobicContact CD1-CD2 4.09Å; Y204-Y279 HydrophobicContact CG-CD2 4.33Å; A205-Y279 HydrophobicContact CB-CE2 4.43Å; A205-Y279 WeakPolarHBondContact CB-OH 3.39Å; F208-Y279 HydrophobicContact CB-CD1 3.35Å; F208-Y279 HydrophobicContact CB-CE1 3.95Å; F208-Y279 HydrophobicContact CB-CG 3.82Å; F208-Y279 AromaticContact CD1-CD1 3.91Å; F208-Y279 HydrophobicContact CD1-CD1 3.91Å; F208-Y279 HydrophobicContact CD1-CE1 4.09Å; F208-Y279 AromaticContact CD2-CD1 3.82Å; F208-Y279 HydrophobicContact CD2-CD1 3.82Å; F208-Y279 HydrophobicContact CD2-CG 4.49Å; F208-Y279 AromaticContact CG-CD1 3.38Å; F208-Y279 HydrophobicContact CG-CD1 3.38Å; F208-Y279 HydrophobicContact CG-CE1 4Å; F208-Y279 HydrophobicContact CG-CG 4.22Å; R236-Y279 PolarHBondContact NH1-OH 2.91Å; R236-Y279 PolarHBondContact NH2-OH 2.84Å; R236-Y279 VanDerWaalsContact NH2-OH 3.15Å; Y279-A281 HydrophobicContact CD1-CB 4.01Å; Y279-A281 HydrophobicContact CE1-CB 4.04Å; Y279-A281 PolarHBondContact O-N 2.83Å; Y279-E285 WeakPolarHBondContact CE1-OE2 3.4Å; Y279-E285 PolarHBondContact OH-OE1 3.05Å; Y279-E285 PolarHBondContact OH-OE2 2.86Å
280A97Very high96.1Very high0 Ų024 Ų240%013%0.128CC..  trans-92.394.2173.400000110.1Y191 R236 Y278Y191-A280 PolarHBondContact OH-N 2.84Å; R236-A280 WeakPolarHBondContact CD-O 3.49Å; R236-A280 WeakPolarHBondContact CG-O 3.41Å; R236-A280 PolarHBondContact NH1-O 3.06Å; Y278-A280 HydrophobicContact CE1-CB 3.95Å
281A97.2Very high96.2Very high1 Ų127.4 Ų27.41%0.00814%0.144CC..EExtended strand (participates in β ladder)trans-74.2151-175.400000114F208 G235 R236 Y279 E285 L286F208-A281 HydrophobicContact CD1-CB 3.88Å; F208-A281 HydrophobicContact CD2-CB 4.38Å; F208-A281 HydrophobicContact CE1-CB 3.36Å; F208-A281 HydrophobicContact CE2-CB 3.92Å; F208-A281 HydrophobicContact CG-CB 4.37Å; F208-A281 HydrophobicContact CZ-CB 3.4Å; G235-A281 CarbonylContact C-O 3.57Å; G235-A281 WeakPolarHBondContact CA-O 3.32Å; R236-A281 PolarHBondContact N-O 2.83Å; Y279-A281 HydrophobicContact CD1-CB 4.01Å; Y279-A281 HydrophobicContact CE1-CB 4.04Å; Y279-A281 PolarHBondContact O-N 2.83Å; A281-E285 WeakPolarHBondContact CA-OE2 3.43Å; A281-L286 HydrophobicContact CB-CD2 4.31Å; A281-L286 HydrophobicContact CB-CG 4.28Å
282S96.7Very high96.3Very high0 Ų035 Ų350%018%0.178CC..EExtended strand (participates in β ladder)trans-83.2165.4172.295.20000112.5R236 E284 E285 L286R236-S282 WeakPolarHBondContact O-CA 3.38Å; S282-E284 WeakPolarHBondContact CB-OE2 3.28Å; S282-E284 PolarHBondContact O-N 2.85Å; S282-E284 PolarHBondContact OG-N 2.94Å; S282-E284 PolarHBondContact OG-OE2 2.87Å; S282-E285 PolarHBondContact N-OE2 2.79Å; S282-E285 PolarHBondContact O-N 2.78Å; S282-E285 PolarHBondContact OG-N 3.11Å; S282-L286 WeakPolarHBondContact O-CG 3.27Å; S282-L286 PolarHBondContact O-N 3.44Å; S282-L286 VanDerWaalsContact O-N 3.15Å
283S96.1Very high96.6Very high17 Ų1735.5 Ų35.512%0.11918%0.179CC..Hα-helixtrans-59.8-35176.8105.80000112.5K287S283-K287 VanDerWaalsContact O-CG 3.28Å; S283-K287 WeakPolarHBondContact O-CG 3.21Å; S283-K287 PolarHBondContact O-N 3.3Å; S283-K287 VanDerWaalsContact O-N 3.09Å
284E97.1Very high96.9Very high82 Ų8234.1 Ų34.138%0.38317%0.173SC..Hα-helixtrans-73.7-41.3-178.1-60.967.8-142.200111.1L239 S282 L286 K287 M288L239-E284 HydrophobicContact CD2-CB 4.15Å; L239-E284 HydrophobicContact CD2-CG 3.89Å; L239-E284 WeakPolarHBondContact CD2-OE2 3.44Å; S282-E284 WeakPolarHBondContact CB-OE2 3.28Å; S282-E284 PolarHBondContact O-N 2.85Å; S282-E284 PolarHBondContact OG-N 2.94Å; S282-E284 PolarHBondContact OG-OE2 2.87Å; E284-L286 VanDerWaalsContact C-N 3.33Å; E284-K287 PolarHBondContact O-N 2.98Å; E284-M288 WeakPolarHBondContact O-CB 3.44Å; E284-M288 PolarHBondContact O-N 2.82Å
285E97.6Very high97.1Very high26 Ų2634.5 Ų34.512%0.12118%0.176CC..Hα-helixtrans-61.9-43.4175.1-69.1172153.800110.9R236 Y279 A281 S282 M288 V289R236-E285 IonicContact CZ-OE1 3.77Å; R236-E285 IonicContact CZ-OE2 3.75Å; R236-E285 IonicContact NH1-OE2 2.78Å; R236-E285 IonicContact NH2-OE1 2.97Å; R236-E285 PolarHBondContact NH2-OE1 2.96Å; R236-E285 IonicContact NH2-OE2 2.8Å; R236-E285 PolarHBondContact NH2-OE2 2.78Å; R236-E285 VanDerWaalsContact NH2-OE2 3.09Å; Y279-E285 WeakPolarHBondContact CE1-OE2 3.4Å; Y279-E285 PolarHBondContact OH-OE1 3.05Å; Y279-E285 PolarHBondContact OH-OE2 2.86Å; A281-E285 WeakPolarHBondContact CA-OE2 3.43Å; S282-E285 PolarHBondContact N-OE2 2.79Å; S282-E285 PolarHBondContact O-N 2.78Å; S282-E285 PolarHBondContact OG-N 3.11Å; E285-M288 PolarHBondContact O-N 3.23Å; E285-V289 WeakPolarHBondContact O-CG2 3.41Å; E285-V289 PolarHBondContact O-N 3.39Å; E285-V289 VanDerWaalsContact O-N 3.12Å
286L97.9Very high97.4Very high0 Ų034.8 Ų34.80%018%0.177CC..Hα-helixtrans-61.2-51.5176.6-69.1170.7000111.9F208 F212 F233 A281 S282 E284 M288 V289 I290 V381F208-L286 HydrophobicContact CE1-CD2 4.1Å; F208-L286 HydrophobicContact CZ-CD2 3.64Å; F212-L286 HydrophobicContact CD1-CD2 4.04Å; F212-L286 HydrophobicContact CE1-CD2 3.59Å; F212-L286 HydrophobicContact CZ-CD2 3.93Å; F233-L286 HydrophobicContact CE2-CD1 4.16Å; F233-L286 HydrophobicContact CE2-CD2 4.03Å; F233-L286 HydrophobicContact CZ-CD1 3.9Å; F233-L286 HydrophobicContact CZ-CD2 3.65Å; F233-L286 HydrophobicContact CZ-CG 4.45Å; A281-L286 HydrophobicContact CB-CD2 4.31Å; A281-L286 HydrophobicContact CB-CG 4.28Å; S282-L286 WeakPolarHBondContact O-CG 3.27Å; S282-L286 PolarHBondContact O-N 3.44Å; S282-L286 VanDerWaalsContact O-N 3.15Å; E284-L286 VanDerWaalsContact C-N 3.33Å; L286-M288 VanDerWaalsContact C-N 3.32Å; L286-M288 PolarHBondContact O-N 3.09Å; L286-V289 PolarHBondContact O-N 3.15Å; L286-I290 HydrophobicContact CB-CD1 4.48Å; L286-I290 VanDerWaalsContact O-CD1 3.29Å; L286-I290 WeakPolarHBondContact O-CD1 3.35Å; L286-I290 WeakPolarHBondContact O-CG1 3.44Å; L286-I290 PolarHBondContact O-N 2.81Å; L286-V381 HydrophobicContact CD1-CB 4.44Å; L286-V381 HydrophobicContact CD1-CG1 3.65Å; L286-V381 HydrophobicContact CD1-CG2 4.06Å
287K98.3Very high97.5Very high82 Ų8237.7 Ų37.736%0.35720%0.198SC..Hα-helixtrans-56.5-47.2178.3-73.1168.8-172.41680111.3S283 E284 V289 I290 E291 I298 L301S283-K287 VanDerWaalsContact O-CG 3.28Å; S283-K287 WeakPolarHBondContact O-CG 3.21Å; S283-K287 PolarHBondContact O-N 3.3Å; S283-K287 VanDerWaalsContact O-N 3.09Å; E284-K287 PolarHBondContact O-N 2.98Å; K287-V289 VanDerWaalsContact C-N 3.34Å; K287-V289 PolarHBondContact O-N 2.64Å; K287-I290 PolarHBondContact O-N 2.8Å; K287-E291 WeakPolarHBondContact O-CB 3.41Å; K287-E291 VanDerWaalsContact O-CG 3.27Å; K287-E291 WeakPolarHBondContact O-CG 3.4Å; K287-E291 PolarHBondContact O-N 3.19Å; K287-I298 HydrophobicContact CG-CD1 3.97Å; K287-L301 HydrophobicContact CD-CD2 4.42Å; K287-L301 VanDerWaalsContact CE-CD2 3.5Å; K287-L301 HydrophobicContact CG-CD2 4.11Å
288M98Very high97.7Very high97 Ų9740.7 Ų40.748%0.47821%0.213SC..Hα-helixtrans-56.1-47.5179.3-175-155.3-53.800112E284 E285 L286 K292E284-M288 WeakPolarHBondContact O-CB 3.44Å; E284-M288 PolarHBondContact O-N 2.82Å; E285-M288 PolarHBondContact O-N 3.23Å; L286-M288 VanDerWaalsContact C-N 3.32Å; L286-M288 PolarHBondContact O-N 3.09Å; M288-K292 WeakPolarHBondContact O-CB 3.46Å; M288-K292 PolarHBondContact O-N 2.82Å
289V98.5Very high97.7Very high6 Ų643.1 Ų43.14%0.03623%0.226CC..Hα-helixtrans-68.9-41.4-178.5177.50000111.4Q209 F212 W213 L216 E285 L286 K287 K292 E293Q209-V289 HydrophobicContact CB-CG2 4Å; Q209-V289 HydrophobicContact CG-CG2 3.76Å; F212-V289 HydrophobicContact CB-CG1 4.27Å; F212-V289 HydrophobicContact CD1-CB 3.94Å; F212-V289 HydrophobicContact CD1-CG1 3.68Å; F212-V289 HydrophobicContact CG-CG1 4.37Å; W213-V289 HydrophobicContact CB-CG1 3.9Å; L216-V289 HydrophobicContact CD1-CG1 4.21Å; E285-V289 WeakPolarHBondContact O-CG2 3.41Å; E285-V289 PolarHBondContact O-N 3.39Å; E285-V289 VanDerWaalsContact O-N 3.12Å; L286-V289 PolarHBondContact O-N 3.15Å; K287-V289 VanDerWaalsContact C-N 3.34Å; K287-V289 PolarHBondContact O-N 2.64Å; V289-K292 PolarHBondContact O-N 2.81Å; V289-E293 WeakPolarHBondContact O-CB 3.2Å; V289-E293 PolarHBondContact O-N 3.3Å
290I98.5Very high97.7Very high3 Ų346.7 Ų46.72%0.01524%0.239CC..Hα-helixtrans-63.1-47.9179-66.1158.1000110.8F212 L216 L286 K287 K292 E293 G294 I298 L383 L385F212-I290 HydrophobicContact CE1-CD1 4.15Å; F212-I290 HydrophobicContact CE1-CG1 3.84Å; F212-I290 HydrophobicContact CZ-CD1 4.49Å; F212-I290 HydrophobicContact CZ-CG1 4.38Å; L216-I290 HydrophobicContact CD1-CB 4.36Å; L216-I290 HydrophobicContact CD1-CG1 3.8Å; L286-I290 HydrophobicContact CB-CD1 4.48Å; L286-I290 VanDerWaalsContact O-CD1 3.29Å; L286-I290 WeakPolarHBondContact O-CD1 3.35Å; L286-I290 WeakPolarHBondContact O-CG1 3.44Å; L286-I290 PolarHBondContact O-N 2.81Å; K287-I290 PolarHBondContact O-N 2.8Å; I290-K292 VanDerWaalsContact C-N 3.34Å; I290-K292 PolarHBondContact O-N 3.38Å; I290-E293 PolarHBondContact O-N 2.99Å; I290-G294 PolarHBondContact O-N 3.23Å; I290-I298 HydrophobicContact CD1-CD1 3.92Å; I290-I298 HydrophobicContact CD1-CG1 4.11Å; I290-I298 HydrophobicContact CG2-CD1 4.33Å; I290-I298 HydrophobicContact CG2-CG1 3.99Å; I290-L383 HydrophobicContact CD1-CD1 4.35Å; I290-L383 HydrophobicContact CD1-CD2 3.78Å; I290-L385 HydrophobicContact CD1-CD2 4.15Å; I290-L385 HydrophobicContact CG2-CD2 4.4Å
291E97.9Very high97.8Very high143 Ų14348.7 Ų48.767%0.66825%0.25SS*.Hα-helixtrans-63.3-40.4178.1-71.9170.8-171.200111.7K287K287-E291 WeakPolarHBondContact O-CB 3.41Å; K287-E291 VanDerWaalsContact O-CG 3.27Å; K287-E291 WeakPolarHBondContact O-CG 3.4Å; K287-E291 PolarHBondContact O-N 3.19Å
292K97.9Very high97.7Very high161 Ų16150.5 Ų50.570%0.726%0.258SS*.Hα-helixtrans-69.1-36.7179-176.3179.8178.3-175.20113M288 V289 I290M288-K292 WeakPolarHBondContact O-CB 3.46Å; M288-K292 PolarHBondContact O-N 2.82Å; V289-K292 PolarHBondContact O-N 2.81Å; I290-K292 VanDerWaalsContact C-N 3.34Å; I290-K292 PolarHBondContact O-N 3.38Å
293E98Very high97.6Very high27 Ų2751.9 Ų51.913%0.12627%0.265CS..Hα-helixtrans-73.8-41.7175.9-167.1-79.2152.600111.3W213 L216 R217 V289 I290 S295W213-E293 HydrophobicContact CD2-CG 4.43Å; W213-E293 HydrophobicContact CG-CB 4.35Å; W213-E293 HydrophobicContact CG-CG 4.28Å; L216-E293 HydrophobicContact CB-CB 4.4Å; L216-E293 HydrophobicContact CB-CG 3.92Å; L216-E293 HydrophobicContact CD1-CB 4.22Å; R217-E293 WeakPolarHBondContact CA-OE1 3.32Å; R217-E293 HydrophobicContact CB-CG 4.38Å; V289-E293 WeakPolarHBondContact O-CB 3.2Å; V289-E293 PolarHBondContact O-N 3.3Å; I290-E293 PolarHBondContact O-N 2.99Å; E293-S295 VanDerWaalsContact C-N 3.35Å; E293-S295 VanDerWaalsContact CD-OG 3.29Å; E293-S295 PolarHBondContact O-N 3.4Å; E293-S295 VanDerWaalsContact OE1-CB 3.3Å; E293-S295 WeakPolarHBondContact OE1-CB 3.34Å; E293-S295 PolarHBondContact OE1-OG 3.03Å; E293-S295 WeakPolarHBondContact OE2-CA 3.4Å; E293-S295 WeakPolarHBondContact OE2-CB 3.45Å; E293-S295 PolarHBondContact OE2-N 3.41Å; E293-S295 PolarHBondContact OE2-OG 2.96Å
294G97.7Very high97.4Very high50 Ų5052 Ų5252%0.51527%0.267SS..  trans81.5-0.1165.400000116.2I290I290-G294 PolarHBondContact O-N 3.23Å
295S98.4Very high97.1Very high14 Ų1448.4 Ų48.410%0.09825%0.25CS..SBendtrans-81.3-19.8-179.1-71.50000114.7S220 E293 R387 A388S220-S295 VanDerWaalsContact CB-OG 3.26Å; S220-S295 WeakPolarHBondContact CB-OG 3.48Å; S220-S295 PolarHBondContact OG-OG 3.27Å; S220-S295 VanDerWaalsContact OG-OG 3.13Å; E293-S295 VanDerWaalsContact C-N 3.35Å; E293-S295 VanDerWaalsContact CD-OG 3.29Å; E293-S295 PolarHBondContact O-N 3.4Å; E293-S295 VanDerWaalsContact OE1-CB 3.3Å; E293-S295 WeakPolarHBondContact OE1-CB 3.34Å; E293-S295 PolarHBondContact OE1-OG 3.03Å; E293-S295 WeakPolarHBondContact OE2-CA 3.4Å; E293-S295 WeakPolarHBondContact OE2-CB 3.45Å; E293-S295 PolarHBondContact OE2-N 3.41Å; E293-S295 PolarHBondContact OE2-OG 2.96Å; S295-R387 WeakPolarHBondContact O-CD 3.22Å; S295-R387 PolarHBondContact O-NH1 3.48Å; S295-R387 PolarHBondContact OG-NH1 3.04Å; S295-A388 WeakPolarHBondContact O-CB 3.36Å; S295-A388 PolarHBondContact O-N 2.87Å
296F98.6Very high96.7Very high13 Ų1347.4 Ų47.46%0.05725%0.245CC..EExtended strand (participates in β ladder)trans-126.7145.2-173.1-64.7-87.3000111.1L216 R219 L223 M229 L385 V386 R387L216-F296 HydrophobicContact CB-CD2 4.35Å; L216-F296 HydrophobicContact CB-CE2 4.31Å; L216-F296 HydrophobicContact CD2-CD2 3.91Å; L216-F296 HydrophobicContact CD2-CE2 4.2Å; L216-F296 WeakPolarHBondContact O-CE2 3.28Å; R219-F296 HydrophobicContact CB-CE2 4.48Å; R219-F296 HydrophobicContact CB-CZ 4.06Å; L223-F296 HydrophobicContact CD1-CE1 3.69Å; L223-F296 HydrophobicContact CD1-CZ 3.96Å; M229-F296 HydrophobicContact CE-CD1 3.86Å; M229-F296 HydrophobicContact CE-CD2 4.17Å; M229-F296 HydrophobicContact CE-CE1 3.46Å; M229-F296 VanDerWaalsContact CE-CE1 3.46Å; M229-F296 HydrophobicContact CE-CE2 3.79Å; M229-F296 HydrophobicContact CE-CG 4.2Å; M229-F296 HydrophobicContact CE-CZ 3.42Å; M229-F296 VanDerWaalsContact CE-CZ 3.42Å; M229-F296 HydrophobicContact CG-CE1 4.24Å; M229-F296 HydrophobicContact SD-CE1 4.14Å; M229-F296 HydrophobicContact SD-CZ 4.12Å; F296-L385 HydrophobicContact CB-CB 4.23Å; F296-L385 HydrophobicContact CB-CD1 4.44Å; F296-L385 HydrophobicContact CB-CD2 4.44Å; F296-L385 HydrophobicContact CD1-CB 4.09Å; F296-L385 HydrophobicContact CG-CB 4.4Å; F296-V386 WeakPolarHBondContact CA-O 3.38Å; F296-R387 HydrophobicContact CD1-CB 4.22Å; F296-R387 HydrophobicContact CE1-CB 3.88Å; F296-R387 HydrophobicContact CE1-CG 4.44Å
297S97.9Very high96.3Very high62 Ų6248.6 Ų48.643%0.43425%0.252SS..EExtended strand (participates in β ladder)trans-101.9146.5163.158.50000110.6D299 L385 V386S297-D299 PolarHBondContact O-N 3.26Å; S297-L385 WeakPolarHBondContact O-CA 3.47Å; S297-V386 PolarHBondContact N-O 3.17Å; S297-V386 PolarHBondContact O-N 2.78Å; S297-V386 WeakPolarHBondContact OG-CG1 3.46Å
298I98.4Very high96.1Very high63 Ų6344.8 Ų44.832%0.32324%0.235SC..EExtended strand (participates in β ladder)trans-79.2113.5176.9-58.7175.3000108.2K287 I290 L301 L383 L385K287-I298 HydrophobicContact CG-CD1 3.97Å; I290-I298 HydrophobicContact CD1-CD1 3.92Å; I290-I298 HydrophobicContact CD1-CG1 4.11Å; I290-I298 HydrophobicContact CG2-CD1 4.33Å; I290-I298 HydrophobicContact CG2-CG1 3.99Å; I298-L301 HydrophobicContact CG2-CB 4.01Å; I298-L383 HydrophobicContact CG1-CD1 4.42Å; I298-L383 HydrophobicContact CG2-CD1 3.97Å; I298-L385 HydrophobicContact CB-CD2 4.41Å; I298-L385 HydrophobicContact CG1-CD2 3.87Å
299D97.3Very high95.6Very high55 Ų5542.3 Ų42.329%0.29422%0.222SC..EExtended strand (participates in β ladder)trans-83.7-35.4172.5-176.372.7000110.5K42 R228 S297 S384K42-D299 IonicContact NZ-OD1 2.75Å; K42-D299 PolarHBondContact NZ-OD1 3.5Å; K42-D299 IonicContact NZ-OD2 3.45Å; K42-D299 PolarHBondContact NZ-OD2 2.69Å; R228-D299 IonicContact NH1-OD1 2.86Å; R228-D299 PolarHBondContact NH1-OD1 3Å; R228-D299 IonicContact NH1-OD2 2.86Å; R228-D299 PolarHBondContact NH1-OD2 3.15Å; S297-D299 PolarHBondContact O-N 3.26Å; D299-S384 PolarHBondContact N-O 3.21Å; D299-S384 PolarHBondContact OD2-OG 2.98Å
300R97.8Very high94.5Very high78 Ų7842 Ų4229%0.29422%0.221SC..EExtended strand (participates in β ladder)trans-156.5142.3177.4-164.4173.2-177.6123.512.6111.3R34 V35 E38 E302 L383 S384R34-R300 VanDerWaalsContact NH2-CZ 3.26Å; V35-R300 HydrophobicContact CG1-CB 4.48Å; E38-R300 IonicContact OE1-NH1 2.73Å; E38-R300 IonicContact OE2-NH1 2.77Å; E38-R300 PolarHBondContact OE2-NH1 2.88Å; R300-E302 IonicContact CZ-OE2 3.2Å; R300-E302 IonicContact NE-OE1 2.73Å; R300-E302 IonicContact NE-OE2 3.3Å; R300-E302 PolarHBondContact NE-OE2 3.46Å; R300-E302 IonicContact NH2-OE2 3.15Å; R300-E302 PolarHBondContact NH2-OE2 3.34Å; R300-L383 WeakPolarHBondContact O-CA 3.37Å; R300-L383 WeakPolarHBondContact O-CD1 3.24Å; R300-S384 PolarHBondContact N-O 3.28Å; R300-S384 PolarHBondContact O-N 3.4Å
301L97.7Very high93.3Very high43 Ų4343.1 Ų43.123%0.22523%0.233CC..EExtended strand (participates in β ladder)trans-142.3117.6169.4171.661.1000108.5K287 I298 V381 I382 L383K287-L301 HydrophobicContact CD-CD2 4.42Å; K287-L301 VanDerWaalsContact CE-CD2 3.5Å; K287-L301 HydrophobicContact CG-CD2 4.11Å; I298-L301 HydrophobicContact CG2-CB 4.01Å; L301-V381 HydrophobicContact CD1-CG1 3.75Å; L301-I382 WeakPolarHBondContact CA-O 3.42Å; L301-L383 HydrophobicContact CB-CD1 4.15Å; L301-L383 HydrophobicContact CD1-CB 4.37Å; L301-L383 HydrophobicContact CD1-CD1 4.19Å
302E96.1Very high91.6Very high39 Ų3941.4 Ų41.418%0.18224%0.237CC..EExtended strand (participates in β ladder)trans-133.4153.317661.7-167.7-161.800110.9R34 V35 R300 I382R34-E302 IonicContact NH2-OE1 3.65Å; R34-E302 PolarHBondContact NH2-OE1 3.17Å; R34-E302 IonicContact NH2-OE2 3.93Å; R34-E302 PolarHBondContact NH2-OE2 3.2Å; R34-E302 VanDerWaalsContact NH2-OE2 3.15Å; V35-E302 VanDerWaalsContact CG2-OE1 3.23Å; V35-E302 WeakPolarHBondContact CG2-OE1 3.4Å; R300-E302 IonicContact CZ-OE2 3.2Å; R300-E302 IonicContact NE-OE1 2.73Å; R300-E302 IonicContact NE-OE2 3.3Å; R300-E302 PolarHBondContact NE-OE2 3.46Å; R300-E302 IonicContact NH2-OE2 3.15Å; R300-E302 PolarHBondContact NH2-OE2 3.34Å; E302-I382 HydrophobicContact CG-CB 3.8Å; E302-I382 HydrophobicContact CG-CD1 4.3Å; E302-I382 HydrophobicContact CG-CG2 4.41Å; E302-I382 PolarHBondContact N-O 3.11Å; E302-I382 PolarHBondContact O-N 3.38Å
303I94.3Very high90Very high28 Ų2835.2 Ų35.214%0.14421%0.211CC..EExtended strand (participates in β ladder)trans-126.2106.4177.5-57.2-179000109.1R237 A379 I380 V381R237-I303 HydrophobicContact CG-CB 4.42Å; R237-I303 HydrophobicContact CG-CD1 4.44Å; R237-I303 HydrophobicContact CG-CG2 3.75Å; R237-I303 PolarHBondContact NH2-O 3.19Å; R237-I303 VanDerWaalsContact NH2-O 3.11Å; I303-A379 HydrophobicContact CG2-CB 3.75Å; I303-I380 CarbonylContact C-O 3.48Å; I303-I380 VanDerWaalsContact CA-O 3.32Å; I303-I380 WeakPolarHBondContact CA-O 3.49Å; I303-V381 HydrophobicContact CD1-CG2 4.38Å; I303-V381 HydrophobicContact CG1-CG2 4.19Å
304S91.9Very high88.2Confident21 Ų2137.2 Ų37.215%0.14723%0.228CC..EExtended strand (participates in β ladder)trans-107.2140.8-175.6-64.90000111.2I380S304-I380 PolarHBondContact N-O 3.48Å; S304-I380 PolarHBondContact O-N 3.14Å
305P90.4Very high86.4Confident6 Ų640.3 Ų40.34%0.03923%0.229CC..EExtended strand (participates in β ladder)trans-80.8147176.733.2-28.9000110.9E315 Y378P305-E315 HydrophobicContact CG-CG 3.96Å; P305-Y378 WeakPolarHBondContact CA-O 3.42Å
306I89.7Confident84.3Confident4 Ų448.5 Ų48.52%0.02127%0.266CS..EExtended strand (participates in β ladder)trans-140143167.3-164.9178.3000107.7N27 I28 G310 G311 R377 Y378 I380N27-I306 HydrophobicContact CB-CD1 3.72Å; I28-I306 HydrophobicContact CG1-CD1 4.18Å; I306-G310 WeakPolarHBondContact CD1-O 3.34Å; I306-G311 WeakPolarHBondContact CG1-O 3.49Å; I306-R377 CarbonylContact O-C 3.59Å; I306-R377 WeakPolarHBondContact O-CA 3.21Å; I306-R377 WeakPolarHBondContact O-CB 3.44Å; I306-Y378 HydrophobicContact CG2-CD2 3.72Å; I306-Y378 HydrophobicContact CG2-CG 4.34Å; I306-Y378 PolarHBondContact N-O 3.44Å; I306-Y378 VanDerWaalsContact N-O 3.15Å; I306-Y378 PolarHBondContact O-N 2.71Å; I306-I380 HydrophobicContact CB-CG1 4.31Å; I306-I380 HydrophobicContact CG2-CD1 3.88Å; I306-I380 HydrophobicContact CG2-CG1 3.55Å
307D90.1Very high82.4Confident26 Ų2650 Ų5014%0.13928%0.278CS..EExtended strand (participates in β ladder)trans-68.1163.5175.270.946.6000111.1E309 G310 G311 I313D307-E309 PolarHBondContact O-N 3.33Å; D307-E309 VanDerWaalsContact OD1-C 3.28Å; D307-E309 VanDerWaalsContact OD1-CA 3.22Å; D307-E309 WeakPolarHBondContact OD1-CA 3.21Å; D307-E309 VanDerWaalsContact OD1-CB 3.3Å; D307-E309 WeakPolarHBondContact OD1-CB 3.37Å; D307-E309 PolarHBondContact OD1-N 3.17Å; D307-G310 PolarHBondContact O-N 3.23Å; D307-G310 PolarHBondContact OD1-N 3.22Å; D307-G311 PolarHBondContact N-O 3.43Å; D307-G311 PolarHBondContact OD1-N 3.4Å; D307-G311 WeakPolarHBondContact OD2-CA 3.14Å; D307-G311 PolarHBondContact OD2-N 3.03Å; D307-I313 HydrophobicContact CB-CD1 3.55Å; D307-I313 HydrophobicContact CB-CG1 4.09Å
308W92.1Very high80.9Confident2 Ų253 Ų531%0.00828%0.281CS..THydrogen-bonded Turntrans-63.6-20.7-179.8-79.610.4000115Y248 Q249 L252 G310 V335 V367 Y370 F371 P376 R377 Y378Y248-W308 HydrophobicContact CD1-CH2 4.13Å; Q249-W308 HydrophobicContact CB-CH2 4.29Å; Q249-W308 HydrophobicContact CG-CD2 3.89Å; Q249-W308 HydrophobicContact CG-CE3 3.79Å; Q249-W308 HydrophobicContact CG-CH2 3.3Å; Q249-W308 HydrophobicContact CG-CZ2 3.42Å; Q249-W308 VanDerWaalsContact CG-CZ2 3.42Å; Q249-W308 HydrophobicContact CG-CZ3 3.5Å; Q249-W308 VanDerWaalsContact CG-CZ3 3.5Å; L252-W308 HydrophobicContact CD1-CH2 3.96Å; L252-W308 HydrophobicContact CD1-CZ3 3.9Å; W308-G310 VanDerWaalsContact C-N 3.31Å; W308-V335 HydrophobicContact CB-CG1 4.46Å; W308-V335 HydrophobicContact CB-CG2 3.95Å; W308-V335 HydrophobicContact CE3-CG1 4.09Å; W308-V367 HydrophobicContact CE3-CG1 4.24Å; W308-V367 HydrophobicContact CZ3-CG1 4.17Å; W308-Y370 HydrophobicContact CH2-CD1 4.04Å; W308-Y370 AromaticContact CH2-CE1 3.73Å; W308-Y370 HydrophobicContact CH2-CE1 3.73Å; W308-Y370 HydrophobicContact CZ2-CE1 4.24Å; W308-Y370 AromaticContact CZ3-CD1 3.96Å; W308-Y370 HydrophobicContact CZ3-CD1 3.96Å; W308-Y370 HydrophobicContact CZ3-CE1 4.07Å; W308-F371 HydrophobicContact CB-CE2 4.49Å; W308-F371 HydrophobicContact CB-CZ 3.89Å; W308-F371 HydrophobicContact CE3-CE2 4.31Å; W308-P376 HydrophobicContact CB-CG 4.37Å; W308-P376 HydrophobicContact CD2-CB 3.58Å; W308-P376 HydrophobicContact CD2-CG 3.78Å; W308-P376 HydrophobicContact CE3-CB 3.95Å; W308-P376 HydrophobicContact CE3-CG 3.83Å; W308-P376 HydrophobicContact CG-CB 3.94Å; W308-P376 HydrophobicContact CG-CG 4.01Å; W308-P376 HydrophobicContact CH2-CB 4.3Å; W308-P376 HydrophobicContact CZ2-CB 3.95Å; W308-P376 HydrophobicContact CZ3-CB 4.3Å; W308-P376 HydrophobicContact CZ3-CG 4.4Å; W308-P376 PolarHBondContact N-O 3.46Å; W308-R377 PolarHBondContact NE1-O 2.98Å; W308-Y378 HydrophobicContact CB-CE2 4.32Å; W308-Y378 AromaticContact CD1-CD1 3.76Å; W308-Y378 AromaticContact CD1-CD2 4Å; W308-Y378 AromaticContact CD1-CE1 3.59Å; W308-Y378 AromaticContact CD1-CE2 3.85Å; W308-Y378 AromaticContact CD1-CG 3.98Å; W308-Y378 AromaticContact CD1-CZ 3.65Å; W308-Y378 HydrophobicContact CG-CE1 4.22Å; W308-Y378 HydrophobicContact CG-CE2 4.29Å; W308-Y378 AromaticContact CG-CZ 3.98Å; W308-Y378 AromaticContact NE1-CD1 3.75Å; W308-Y378 AromaticContact NE1-CE1 3.67Å
309E88.8Confident79.6Confident44 Ų4456.3 Ų56.321%0.20630%0.299CS..THydrogen-bonded Turntrans-85-9.9175.3-48.5-166.372.600112.1D307 S331 R334 V335 F371D307-E309 PolarHBondContact O-N 3.33Å; D307-E309 VanDerWaalsContact OD1-C 3.28Å; D307-E309 VanDerWaalsContact OD1-CA 3.22Å; D307-E309 WeakPolarHBondContact OD1-CA 3.21Å; D307-E309 VanDerWaalsContact OD1-CB 3.3Å; D307-E309 WeakPolarHBondContact OD1-CB 3.37Å; D307-E309 PolarHBondContact OD1-N 3.17Å; E309-S331 VanDerWaalsContact CD-OG 3.26Å; E309-S331 PolarHBondContact OE1-OG 2.83Å; E309-S331 VanDerWaalsContact OE2-CB 3.24Å; E309-S331 WeakPolarHBondContact OE2-CB 3.46Å; E309-S331 PolarHBondContact OE2-OG 3.39Å; E309-R334 IonicContact OE1-CZ 3.34Å; E309-R334 IonicContact OE1-NE 3.45Å; E309-R334 PolarHBondContact OE1-NE 3.44Å; E309-R334 IonicContact OE1-NH2 2.78Å; E309-R334 PolarHBondContact OE1-NH2 2.91Å; E309-R334 IonicContact OE2-NH2 2.74Å; E309-V335 HydrophobicContact CG-CG2 3.9Å; E309-F371 HydrophobicContact CG-CE1 4.35Å; E309-F371 HydrophobicContact CG-CZ 3.87Å
310G75.4Confident78.6Confident0 Ų058.1 Ų58.10%031%0.308CS..SBendtrans97.21.4-176.900000114.7N27 I306 D307 W308 S312N27-G310 WeakPolarHBondContact CB-O 3.5Å; N27-G310 VanDerWaalsContact CG-O 3.28Å; N27-G310 PolarHBondContact ND2-O 3.44Å; I306-G310 WeakPolarHBondContact CD1-O 3.34Å; D307-G310 PolarHBondContact O-N 3.23Å; D307-G310 PolarHBondContact OD1-N 3.22Å; W308-G310 VanDerWaalsContact C-N 3.31Å; G310-S312 PolarHBondContact O-N 2.95Å
311G73.4Confident77.7Confident27 Ų2757.8 Ų57.828%0.27832%0.315SS..  trans-66.1133.4176.200000111.7I306 D307 I313I306-G311 WeakPolarHBondContact CG1-O 3.49Å; D307-G311 PolarHBondContact N-O 3.43Å; D307-G311 PolarHBondContact OD1-N 3.4Å; D307-G311 WeakPolarHBondContact OD2-CA 3.14Å; D307-G311 PolarHBondContact OD2-N 3.03Å; G311-I313 PolarHBondContact O-N 3.35Å
312S61Low77Confident107 Ų10763.3 Ų63.375%0.74834%0.343SS*.BIsolated β-bridgetrans-69.8127172.2-175.50000109.3G310G310-S312 PolarHBondContact O-N 2.95Å
313I65Low76.6Confident31 Ų3163.1 Ų63.116%0.15934%0.34CS..  trans-113.2139177.1-47.8169.2000108.4D307 G311 S317 R377D307-I313 HydrophobicContact CB-CD1 3.55Å; D307-I313 HydrophobicContact CB-CG1 4.09Å; G311-I313 PolarHBondContact O-N 3.35Å; I313-S317 WeakPolarHBondContact CG2-OG 3.3Å; I313-R377 HydrophobicContact CD1-CG 3.81Å
314S60.5Low76.5Confident69 Ų6964 Ų6448%0.48335%0.349SS..  trans-64.5138.8168.463.70000110.2E316 S317S314-E316 PolarHBondContact O-N 3.01Å; S314-E316 VanDerWaalsContact O-N 3.08Å; S314-S317 PolarHBondContact O-N 3Å; S314-S317 PolarHBondContact OG-OG 3.41Å
315E58.8Low76.6Confident115 Ų11567.3 Ų67.354%0.53736%0.361SS..THydrogen-bonded Turntrans-56.8-26.8177-71.2-170.5160.200112.7P305 Y318P305-E315 HydrophobicContact CG-CG 3.96Å; E315-Y318 VanDerWaalsContact O-CD2 3.28Å; E315-Y318 WeakPolarHBondContact O-CD2 3.22Å; E315-Y318 WeakPolarHBondContact O-CE2 3.4Å
316E54.3Low76.9Confident186 Ų18671.4 Ų71.487%0.86939%0.388SS*.THydrogen-bonded Turntrans-74.6-21.6-176.1-65.7177.2174.400114.2S314S314-E316 PolarHBondContact O-N 3.01Å; S314-E316 VanDerWaalsContact O-N 3.08Å
317S60.4Low77.1Confident43 Ų4376.3 Ų76.330%0.30141%0.41SS..  trans-99.990.117766.30000109.4I313 S314 R377I313-S317 WeakPolarHBondContact CG2-OG 3.3Å; S314-S317 PolarHBondContact O-N 3Å; S314-S317 PolarHBondContact OG-OG 3.41Å; S317-R377 PolarHBondContact O-NH1 3.14Å; S317-R377 PolarHBondContact O-NH2 2.96Å
318Y65.4Low77.4Confident126 Ų12675 Ų7549%0.49440%0.404SS..  trans-88.74.6161.3-87.9-93.2000112.4R237 E315R237-Y318 PolarHBondContact NH1-OH 3.01Å; E315-Y318 VanDerWaalsContact O-CD2 3.28Å; E315-Y318 WeakPolarHBondContact O-CD2 3.22Å; E315-Y318 WeakPolarHBondContact O-CE2 3.4Å
319D71.2Confident77.6Confident132 Ų13277.1 Ų77.171%0.70641%0.414SS*.SBendtrans-61145.7176.9-67.1-25.9000111.4V321D319-V321 PolarHBondContact O-N 3.3Å
320L76.9Confident77.9Confident94 Ų9476 Ų7649%0.49241%0.413SS..  trans-61.9118.2173.3-179.868.9000109.2I322 S374L320-I322 PolarHBondContact O-N 3.36Å; L320-I322 VanDerWaalsContact O-N 3.11Å; L320-S374 VanDerWaalsContact CD1-C 3.41Å; L320-S374 VanDerWaalsContact CD1-CA 3.44Å
321V78.9Confident78.8Confident71 Ų7176.2 Ų76.243%0.4342%0.415SS..  trans-68.5109.1168.2-178.90000107.7D319 R323 S375D319-V321 PolarHBondContact O-N 3.3Å; V321-R323 HydrophobicContact CG1-CG 4.18Å; V321-R323 PolarHBondContact O-N 2.89Å; V321-S375 WeakPolarHBondContact CB-OG 3.41Å; V321-S375 PolarHBondContact N-OG 3.41Å
322I81.8Confident79.9Confident159 Ų15975 Ų7582%0.81540%0.401SS*.  trans-67.6113.3176.9-57.8176.8000108L320L320-I322 PolarHBondContact O-N 3.36Å; L320-I322 VanDerWaalsContact O-N 3.11Å
323R87.7Confident81.7Confident34 Ų3476.3 Ų76.313%0.12839%0.39CS..  trans-114.3143.6175.8-65.9-180-179.586.12.4110V321 E327 A328 S374 S375V321-R323 HydrophobicContact CG1-CG 4.18Å; V321-R323 PolarHBondContact O-N 2.89Å; R323-E327 HydrophobicContact CB-CB 4.34Å; R323-A328 HydrophobicContact CB-CB 4.25Å; R323-S374 PolarHBondContact NH1-O 2.81Å; R323-S375 PolarHBondContact NH1-OG 2.89Å
324S93.6Very high83.1Confident47 Ų4780.8 Ų80.833%0.32941%0.405SS..  trans-67.2154.8164.2750000110E327 A328S324-E327 PolarHBondContact N-OE2 2.86Å; S324-E327 WeakPolarHBondContact O-CB 3.15Å; S324-E327 PolarHBondContact O-N 2.87Å; S324-E327 VanDerWaalsContact O-N 3.14Å; S324-E327 VanDerWaalsContact OG-CG 3.28Å; S324-E327 WeakPolarHBondContact OG-CG 3.37Å; S324-E327 PolarHBondContact OG-N 3.3Å; S324-E327 PolarHBondContact OG-OE1 3.21Å; S324-E327 PolarHBondContact OG-OE2 2.83Å; S324-A328 PolarHBondContact O-N 3.06Å
325K93.4Very high84.8Confident90 Ų9077.6 Ų77.639%0.39138%0.382SS..Hα-helixtrans-57.9-41.4178.3-176161177.1129.70112.8E327 A328 L329 E369 Y372K325-E327 PolarHBondContact O-N 2.95Å; K325-A328 PolarHBondContact O-N 3.12Å; K325-L329 HydrophobicContact CG-CD1 4.29Å; K325-L329 WeakPolarHBondContact O-CG 3.44Å; K325-L329 PolarHBondContact O-N 2.97Å; K325-E369 WeakPolarHBondContact CE-OE1 3.41Å; K325-E369 IonicContact NZ-OE1 2.68Å; K325-E369 PolarHBondContact NZ-OE1 3.18Å; K325-E369 IonicContact NZ-OE2 3.08Å; K325-E369 PolarHBondContact NZ-OE2 2.92Å; K325-Y372 HydrophobicContact CB-CD2 4.05Å; K325-Y372 HydrophobicContact CB-CE2 3.92Å
326P96Very high86.7Confident93 Ų9372.1 Ų72.160%0.60436%0.357SS*.Hα-helixtrans-60.6-40172.8-25.836000114.3A330P326-A330 PolarHBondContact O-N 2.85Å
327E94.9Very high88.7Confident106 Ų10666.6 Ų66.650%0.49533%0.333SS..Hα-helixtrans-64.4-46.8175.7-76.2152.7-141.900111.5R323 S324 K325 L329 A330 S331R323-E327 HydrophobicContact CB-CB 4.34Å; S324-E327 PolarHBondContact N-OE2 2.86Å; S324-E327 WeakPolarHBondContact O-CB 3.15Å; S324-E327 PolarHBondContact O-N 2.87Å; S324-E327 VanDerWaalsContact O-N 3.14Å; S324-E327 VanDerWaalsContact OG-CG 3.28Å; S324-E327 WeakPolarHBondContact OG-CG 3.37Å; S324-E327 PolarHBondContact OG-N 3.3Å; S324-E327 PolarHBondContact OG-OE1 3.21Å; S324-E327 PolarHBondContact OG-OE2 2.83Å; K325-E327 PolarHBondContact O-N 2.95Å; E327-L329 VanDerWaalsContact C-N 3.33Å; E327-L329 PolarHBondContact O-N 3.04Å; E327-A330 WeakPolarHBondContact O-CA 3.33Å; E327-A330 WeakPolarHBondContact O-CB 3.1Å; E327-A330 PolarHBondContact O-N 2.8Å; E327-S331 PolarHBondContact O-N 3.22Å; E327-S331 PolarHBondContact O-OG 3.16Å
328A95.3Very high90.4Very high0 Ų065.1 Ų65.10%032%0.323CS..Hα-helixtrans-60.3-42.817900000111.7R323 S324 K325 A330 S331 G332 G368 F371 Y372R323-A328 HydrophobicContact CB-CB 4.25Å; S324-A328 PolarHBondContact O-N 3.06Å; K325-A328 PolarHBondContact O-N 3.12Å; A328-A330 VanDerWaalsContact C-N 3.31Å; A328-A330 PolarHBondContact O-N 2.95Å; A328-S331 WeakPolarHBondContact O-CB 3.34Å; A328-S331 PolarHBondContact O-N 2.98Å; A328-G332 PolarHBondContact O-N 3.34Å; A328-G368 WeakPolarHBondContact CB-O 3.5Å; A328-G368 VanDerWaalsContact O-CA 3.3Å; A328-G368 WeakPolarHBondContact O-CA 3.42Å; A328-F371 HydrophobicContact CB-CB 3.98Å; A328-Y372 HydrophobicContact CB-CD2 4.32Å
329L96.1Very high91.9Very high45 Ų4559.9 Ų59.924%0.23630%0.303CS..Hα-helixtrans-64.7-32.8173.6-69.8172.7000112.9K325 E327 G332 R333K325-L329 HydrophobicContact CG-CD1 4.29Å; K325-L329 WeakPolarHBondContact O-CG 3.44Å; K325-L329 PolarHBondContact O-N 2.97Å; E327-L329 VanDerWaalsContact C-N 3.33Å; E327-L329 PolarHBondContact O-N 3.04Å; L329-G332 PolarHBondContact O-N 3.22Å; L329-R333 PolarHBondContact O-N 3.34Å; L329-R333 VanDerWaalsContact O-N 3.08Å
330A96.1Very high93.2Very high22 Ų2255 Ų5518%0.18228%0.275CS..Hα-helixtrans-69.3-41.517400000112P326 E327 A328 G332 R333 R334P326-A330 PolarHBondContact O-N 2.85Å; E327-A330 WeakPolarHBondContact O-CA 3.33Å; E327-A330 WeakPolarHBondContact O-CB 3.1Å; E327-A330 PolarHBondContact O-N 2.8Å; A328-A330 VanDerWaalsContact C-N 3.31Å; A328-A330 PolarHBondContact O-N 2.95Å; A330-G332 VanDerWaalsContact C-N 3.32Å; A330-R333 PolarHBondContact O-N 3.31Å; A330-R334 PolarHBondContact O-N 3.32Å; A330-R334 VanDerWaalsContact O-N 3.11Å
331S95.1Very high94.1Very high4 Ų450.5 Ų50.53%0.02825%0.251CS..Hα-helixtrans-60-42.9170.4-660000111.2E309 E327 A328 R333 R334 V335E309-S331 VanDerWaalsContact CD-OG 3.26Å; E309-S331 PolarHBondContact OE1-OG 2.83Å; E309-S331 VanDerWaalsContact OE2-CB 3.24Å; E309-S331 WeakPolarHBondContact OE2-CB 3.46Å; E309-S331 PolarHBondContact OE2-OG 3.39Å; E327-S331 PolarHBondContact O-N 3.22Å; E327-S331 PolarHBondContact O-OG 3.16Å; A328-S331 WeakPolarHBondContact O-CB 3.34Å; A328-S331 PolarHBondContact O-N 2.98Å; S331-R333 VanDerWaalsContact C-N 3.33Å; S331-R333 PolarHBondContact O-N 3.19Å; S331-R334 PolarHBondContact O-N 3.18Å; S331-R334 PolarHBondContact OG-NH2 3.28Å; S331-V335 PolarHBondContact O-N 2.87Å
332G96.5Very high95Very high0 Ų047.8 Ų47.80%024%0.235CC..Hα-helixtrans-55.8-43.6174.700000113.5A328 L329 A330 S336A328-G332 PolarHBondContact O-N 3.34Å; L329-G332 PolarHBondContact O-N 3.22Å; A330-G332 VanDerWaalsContact C-N 3.32Å; G332-S336 VanDerWaalsContact O-CB 3.27Å; G332-S336 WeakPolarHBondContact O-CB 3Å; G332-S336 PolarHBondContact O-N 3.42Å
333R96.9Very high95.7Very high135 Ų13540.4 Ų40.451%0.50920%0.197SC..Hα-helixtrans-64.6-44.7174.6-73.5-172-65-86.72.2112.9L329 A330 S331 S336 N337 A364L329-R333 PolarHBondContact O-N 3.34Å; L329-R333 VanDerWaalsContact O-N 3.08Å; A330-R333 PolarHBondContact O-N 3.31Å; S331-R333 VanDerWaalsContact C-N 3.33Å; S331-R333 PolarHBondContact O-N 3.19Å; R333-S336 PolarHBondContact O-N 3.11Å; R333-N337 PolarHBondContact O-N 3.4Å; R333-N337 PolarHBondContact O-OD1 2.68Å; R333-A364 HydrophobicContact CG-CB 4.06Å
334R95.5Very high96.1Very high126 Ų12639.5 Ų39.548%0.47519%0.194SC..Hα-helixtrans-62-47.1179.2-72.7-171.9-64.6-89.4-1111.5E309 A330 S331 N337 T338E309-R334 IonicContact OE1-CZ 3.34Å; E309-R334 IonicContact OE1-NE 3.45Å; E309-R334 PolarHBondContact OE1-NE 3.44Å; E309-R334 IonicContact OE1-NH2 2.78Å; E309-R334 PolarHBondContact OE1-NH2 2.91Å; E309-R334 IonicContact OE2-NH2 2.74Å; A330-R334 PolarHBondContact O-N 3.32Å; A330-R334 VanDerWaalsContact O-N 3.11Å; S331-R334 PolarHBondContact O-N 3.18Å; S331-R334 PolarHBondContact OG-NH2 3.28Å; R334-N337 PolarHBondContact O-N 3.47Å; R334-T338 PolarHBondContact O-N 2.87Å; R334-T338 PolarHBondContact O-OG1 2.81Å
335V96.2Very high96.2Very high1 Ų137.7 Ų37.71%0.00618%0.182CC..Hα-helixtrans-64.4-40.6176.1174.50000111.3W308 E309 S331 N337 T338 I339 V367 F371W308-V335 HydrophobicContact CB-CG1 4.46Å; W308-V335 HydrophobicContact CB-CG2 3.95Å; W308-V335 HydrophobicContact CE3-CG1 4.09Å; E309-V335 HydrophobicContact CG-CG2 3.9Å; S331-V335 PolarHBondContact O-N 2.87Å; V335-N337 VanDerWaalsContact C-N 3.32Å; V335-N337 PolarHBondContact O-N 3.17Å; V335-T338 WeakPolarHBondContact O-CB 3.46Å; V335-T338 PolarHBondContact O-N 3.3Å; V335-I339 HydrophobicContact CG1-CG1 4.17Å; V335-I339 WeakPolarHBondContact O-CG1 3.44Å; V335-I339 PolarHBondContact O-N 3.39Å; V335-V367 HydrophobicContact CB-CG1 4.05Å; V335-V367 HydrophobicContact CG1-CG1 3.99Å; V335-F371 HydrophobicContact CB-CE2 4.32Å; V335-F371 HydrophobicContact CG2-CE2 3.66Å; V335-F371 HydrophobicContact CG2-CZ 3.85Å
336S97.7Very high96.3Very high1 Ų133.6 Ų33.61%0.00716%0.164CC..Hα-helixtrans-57.1-45.4175.2-174.30000112G332 R333 T338 I339 R340 F360 Y363G332-S336 VanDerWaalsContact O-CB 3.27Å; G332-S336 WeakPolarHBondContact O-CB 3Å; G332-S336 PolarHBondContact O-N 3.42Å; R333-S336 PolarHBondContact O-N 3.11Å; S336-T338 PolarHBondContact O-N 3.06Å; S336-I339 PolarHBondContact O-N 3.08Å; S336-R340 VanDerWaalsContact O-CB 3.3Å; S336-R340 WeakPolarHBondContact O-CB 3.27Å; S336-R340 PolarHBondContact O-N 2.9Å; S336-F360 PolarHBondContact OG-O 2.88Å; S336-Y363 WeakPolarHBondContact OG-CD1 3.09Å
337N97Very high96.3Very high69 Ų6929.1 Ų29.137%0.36914%0.135SC..Hα-helixtrans-64.1-41.2177.5-68.4-4.6000112.5N21 R333 R334 V335 R340 A341N21-N337 WeakPolarHBondContact OD1-CB 3.42Å; R333-N337 PolarHBondContact O-N 3.4Å; R333-N337 PolarHBondContact O-OD1 2.68Å; R334-N337 PolarHBondContact O-N 3.47Å; V335-N337 VanDerWaalsContact C-N 3.32Å; V335-N337 PolarHBondContact O-N 3.17Å; N337-R340 PolarHBondContact O-N 3.31Å; N337-A341 WeakPolarHBondContact O-CB 3.29Å; N337-A341 PolarHBondContact O-N 2.98Å
338T96.2Very high96.3Very high13 Ų1327.8 Ų27.88%0.0813%0.129CC..Hα-helixtrans-58.5-47.8173.6-60.90000111.3N21 R334 V335 S336 A341 V342N21-T338 WeakPolarHBondContact O-CG2 3.48Å; N21-T338 PolarHBondContact O-OG1 2.71Å; R334-T338 PolarHBondContact O-N 2.87Å; R334-T338 PolarHBondContact O-OG1 2.81Å; V335-T338 WeakPolarHBondContact O-CB 3.46Å; V335-T338 PolarHBondContact O-N 3.3Å; S336-T338 PolarHBondContact O-N 3.06Å; T338-A341 PolarHBondContact O-N 3.27Å; T338-V342 WeakPolarHBondContact O-CG2 3.33Å; T338-V342 PolarHBondContact O-N 3.29Å
339I96.9Very high96.3Very high16 Ų1631.9 Ų31.98%0.08216%0.155CC..Hα-helixtrans-69.2-42-179.2-62.3-57.4000111V335 S336 A341 V342 V343 F360 Y363V335-I339 HydrophobicContact CG1-CG1 4.17Å; V335-I339 WeakPolarHBondContact O-CG1 3.44Å; V335-I339 PolarHBondContact O-N 3.39Å; S336-I339 PolarHBondContact O-N 3.08Å; I339-A341 VanDerWaalsContact C-N 3.29Å; I339-A341 PolarHBondContact O-N 3.36Å; I339-V342 WeakPolarHBondContact O-CA 3.35Å; I339-V342 WeakPolarHBondContact O-CB 3.42Å; I339-V342 PolarHBondContact O-N 3.24Å; I339-V343 HydrophobicContact CG2-CG1 4.22Å; I339-V343 HydrophobicContact CG2-CG2 3.88Å; I339-V343 WeakPolarHBondContact O-CG2 3.23Å; I339-V343 PolarHBondContact O-N 3.27Å; I339-F360 HydrophobicContact CG2-CE1 4.45Å; I339-Y363 HydrophobicContact CB-CE1 3.84Å; I339-Y363 HydrophobicContact CG1-CE1 4.1Å; I339-Y363 HydrophobicContact CG2-CE1 3.92Å
340R97.9Very high96.2Very high29 Ų2932 Ų3211%0.10916%0.158CC..Hα-helixtrans-51.1-50.9172.2-179.3169.7-175.5167.55.3111.3S336 N337 V342 V343 E344 D357 F360S336-R340 VanDerWaalsContact O-CB 3.3Å; S336-R340 WeakPolarHBondContact O-CB 3.27Å; S336-R340 PolarHBondContact O-N 2.9Å; N337-R340 PolarHBondContact O-N 3.31Å; R340-V342 PolarHBondContact O-N 3.5Å; R340-V343 PolarHBondContact O-N 2.83Å; R340-E344 HydrophobicContact CG-CB 4.12Å; R340-E344 WeakPolarHBondContact CG-OE2 3.15Å; R340-E344 IonicContact CZ-OE1 3.91Å; R340-E344 IonicContact CZ-OE2 3.87Å; R340-E344 VanDerWaalsContact NE-CD 3.28Å; R340-E344 IonicContact NE-OE1 2.91Å; R340-E344 PolarHBondContact NE-OE1 3.4Å; R340-E344 VanDerWaalsContact NE-OE1 3.16Å; R340-E344 IonicContact NE-OE2 3.16Å; R340-E344 PolarHBondContact NE-OE2 3.45Å; R340-E344 IonicContact NH2-OE1 3.73Å; R340-E344 PolarHBondContact NH2-OE1 2.76Å; R340-E344 IonicContact NH2-OE2 2.83Å; R340-E344 WeakPolarHBondContact O-CB 3.34Å; R340-E344 PolarHBondContact O-N 3.07Å; R340-D357 IonicContact CZ-OD1 2.76Å; R340-D357 IonicContact NH1-OD1 3.54Å; R340-D357 PolarHBondContact NH1-OD1 2.73Å; R340-D357 IonicContact NH2-OD1 2.84Å; R340-D357 PolarHBondContact NH2-OD1 3.45Å; R340-F360 VanDerWaalsContact CA-CZ 3.45Å; R340-F360 HydrophobicContact CB-CD1 3.58Å; R340-F360 HydrophobicContact CB-CD2 3.88Å; R340-F360 HydrophobicContact CB-CE1 3.61Å; R340-F360 HydrophobicContact CB-CE2 3.92Å; R340-F360 HydrophobicContact CB-CG 3.74Å; R340-F360 HydrophobicContact CB-CZ 3.8Å; R340-F360 VanDerWaalsContact CD-CD2 3.49Å; R340-F360 HydrophobicContact CG-CD1 4.18Å; R340-F360 HydrophobicContact CG-CD2 3.51Å; R340-F360 HydrophobicContact CG-CE1 4.23Å; R340-F360 HydrophobicContact CG-CE2 3.59Å; R340-F360 HydrophobicContact CG-CG 3.85Å; R340-F360 HydrophobicContact CG-CZ 3.96Å
341A97.4Very high96.2Very high0 Ų031.6 Ų31.60%015%0.152CC..Hα-helixtrans-61.5-19.1179.700000114.3N10 T16 N21 N337 T338 I339N10-A341 PolarHBondContact N-O 3.5Å; T16-A341 WeakPolarHBondContact O-CB 3.49Å; N21-A341 HydrophobicContact CB-CB 3.91Å; N337-A341 WeakPolarHBondContact O-CB 3.29Å; N337-A341 PolarHBondContact O-N 2.98Å; T338-A341 PolarHBondContact O-N 3.27Å; I339-A341 VanDerWaalsContact C-N 3.29Å; I339-A341 PolarHBondContact O-N 3.36Å
342V96.4Very high96.2Very high14 Ų1432.5 Ų32.59%0.08516%0.162CC..Hα-helixtrans-95.3-42.1179172.30000112.3M9 Y18 W164 T338 I339 R340M9-V342 HydrophobicContact CE-CG1 4.21Å; M9-V342 HydrophobicContact SD-CB 4.01Å; M9-V342 HydrophobicContact SD-CG1 3.85Å; M9-V342 HydrophobicContact SD-CG2 3.91Å; Y18-V342 HydrophobicContact CD2-CG2 4.06Å; Y18-V342 HydrophobicContact CE2-CG2 3.88Å; W164-V342 HydrophobicContact CH2-CG1 3.97Å; W164-V342 HydrophobicContact CZ2-CG1 3.48Å; W164-V342 VanDerWaalsContact CZ2-CG1 3.48Å; T338-V342 WeakPolarHBondContact O-CG2 3.33Å; T338-V342 PolarHBondContact O-N 3.29Å; I339-V342 WeakPolarHBondContact O-CA 3.35Å; I339-V342 WeakPolarHBondContact O-CB 3.42Å; I339-V342 PolarHBondContact O-N 3.24Å; R340-V342 PolarHBondContact O-N 3.5Å
343V96.4Very high96.2Very high3 Ų339.3 Ų39.32%0.01819%0.194CC..Hα-helixtrans-111.2-16-165.8-490000114.9W164 W250 L253 I339 R340 P345 M346 L347 F360W164-V343 HydrophobicContact CH2-CG1 4.44Å; W250-V343 HydrophobicContact CH2-CB 4.23Å; W250-V343 HydrophobicContact CH2-CG1 3.52Å; W250-V343 HydrophobicContact CZ2-CG1 4.18Å; W250-V343 HydrophobicContact CZ3-CG1 4.09Å; L253-V343 HydrophobicContact CD2-CG2 4.07Å; I339-V343 HydrophobicContact CG2-CG1 4.22Å; I339-V343 HydrophobicContact CG2-CG2 3.88Å; I339-V343 WeakPolarHBondContact O-CG2 3.23Å; I339-V343 PolarHBondContact O-N 3.27Å; R340-V343 PolarHBondContact O-N 2.83Å; V343-P345 VanDerWaalsContact C-N 3.33Å; V343-M346 HydrophobicContact CB-CE 3.82Å; V343-M346 HydrophobicContact CG1-CE 3.84Å; V343-M346 WeakPolarHBondContact O-CB 3.45Å; V343-M346 PolarHBondContact O-N 2.78Å; V343-L347 HydrophobicContact CB-CD1 4.5Å; V343-L347 HydrophobicContact CG2-CD1 3.67Å; V343-L347 HydrophobicContact CG2-CG 4.23Å; V343-L347 WeakPolarHBondContact O-CG 3.49Å; V343-L347 PolarHBondContact O-N 3.35Å; V343-L347 VanDerWaalsContact O-N 3.11Å; V343-F360 HydrophobicContact CG2-CE1 4.24Å; V343-F360 HydrophobicContact CG2-CZ 3.85Å
344E97.1Very high96.1Very high15 Ų1539.8 Ų39.87%0.0721%0.206CC..Hα-helixtrans-52-44.7-178.9178.3169.2-154.100112.8N10 R340 M346 L347 E348 M356 F360N10-E344 PolarHBondContact ND2-OE2 3.34Å; R340-E344 HydrophobicContact CG-CB 4.12Å; R340-E344 WeakPolarHBondContact CG-OE2 3.15Å; R340-E344 IonicContact CZ-OE1 3.91Å; R340-E344 IonicContact CZ-OE2 3.87Å; R340-E344 VanDerWaalsContact NE-CD 3.28Å; R340-E344 IonicContact NE-OE1 2.91Å; R340-E344 PolarHBondContact NE-OE1 3.4Å; R340-E344 VanDerWaalsContact NE-OE1 3.16Å; R340-E344 IonicContact NE-OE2 3.16Å; R340-E344 PolarHBondContact NE-OE2 3.45Å; R340-E344 IonicContact NH2-OE1 3.73Å; R340-E344 PolarHBondContact NH2-OE1 2.76Å; R340-E344 IonicContact NH2-OE2 2.83Å; R340-E344 WeakPolarHBondContact O-CB 3.34Å; R340-E344 PolarHBondContact O-N 3.07Å; E344-M346 PolarHBondContact O-N 3.35Å; E344-M346 VanDerWaalsContact O-N 3.13Å; E344-L347 PolarHBondContact O-N 2.74Å; E344-E348 WeakPolarHBondContact O-CB 3.28Å; E344-E348 PolarHBondContact O-N 3.36Å; E344-M356 HydrophobicContact CG-CG 4.1Å; E344-M356 HydrophobicContact CG-SD 4.11Å; E344-M356 WeakPolarHBondContact OE1-CB 2.77Å; E344-F360 HydrophobicContact CB-CE2 4.17Å
345P95.5Very high96.2Very high10 Ų1034.1 Ų34.17%0.06519%0.186CC..Hα-helixtrans-63.9-21.6178.2-27.540.6000114.9H8 N10 V343 P349H8-P345 VanDerWaalsContact CE1-CB 3.42Å; H8-P345 WeakPolarHBondContact CE1-CB 3.49Å; H8-P345 WeakPolarHBondContact O-CB 3.12Å; H8-P345 VanDerWaalsContact O-CG 3.27Å; H8-P345 WeakPolarHBondContact O-CG 3.46Å; N10-P345 VanDerWaalsContact OD1-CD 3.3Å; N10-P345 WeakPolarHBondContact OD1-CD 3.41Å; N10-P345 VanDerWaalsContact OD1-CG 3.25Å; N10-P345 WeakPolarHBondContact OD1-CG 3.41Å; V343-P345 VanDerWaalsContact C-N 3.33Å; P345-P349 WeakPolarHBondContact O-CD 3.23Å; P345-P349 WeakPolarHBondContact O-CG 3.14Å
346M94.9Very high96.3Very high3 Ų334.1 Ų34.12%0.01519%0.186CC..Hα-helixtrans-84.3-32.9173.8-66.2-176.4-76.600112.3L7 W164 W250 F274 P277 V343 E344L7-M346 HydrophobicContact CD1-CE 4.04Å; L7-M346 HydrophobicContact CD1-CG 4.31Å; L7-M346 HydrophobicContact CD1-SD 3.57Å; L7-M346 VanDerWaalsContact CD1-SD 3.57Å; W164-M346 HydrophobicContact CE3-CE 4.48Å; W164-M346 HydrophobicContact CE3-SD 4.5Å; W164-M346 HydrophobicContact CH2-CE 3.49Å; W164-M346 VanDerWaalsContact CH2-CE 3.49Å; W164-M346 HydrophobicContact CH2-SD 4.48Å; W164-M346 HydrophobicContact CZ2-CE 4.44Å; W164-M346 HydrophobicContact CZ3-CE 3.5Å; W164-M346 HydrophobicContact CZ3-SD 3.92Å; W250-M346 HydrophobicContact CH2-CE 4.3Å; F274-M346 WeakPolarHBondContact CE2-O 3.48Å; P277-M346 HydrophobicContact CG-SD 4.22Å; V343-M346 HydrophobicContact CB-CE 3.82Å; V343-M346 HydrophobicContact CG1-CE 3.84Å; V343-M346 WeakPolarHBondContact O-CB 3.45Å; V343-M346 PolarHBondContact O-N 2.78Å; E344-M346 PolarHBondContact O-N 3.35Å; E344-M346 VanDerWaalsContact O-N 3.13Å
347L96.2Very high96.3Very high0 Ų039.3 Ų39.30%021%0.214CC..Hα-helixtrans-81.7-43.5-176.8-64.1178.3000112.1L253 F274 V343 E344 T350 F351 M356 L359 F360L253-L347 HydrophobicContact CD2-CD1 4.18Å; F274-L347 HydrophobicContact CE1-CD2 3.95Å; F274-L347 HydrophobicContact CE2-CD2 3.92Å; F274-L347 HydrophobicContact CZ-CD2 3.52Å; V343-L347 HydrophobicContact CB-CD1 4.5Å; V343-L347 HydrophobicContact CG2-CD1 3.67Å; V343-L347 HydrophobicContact CG2-CG 4.23Å; V343-L347 WeakPolarHBondContact O-CG 3.49Å; V343-L347 PolarHBondContact O-N 3.35Å; V343-L347 VanDerWaalsContact O-N 3.11Å; E344-L347 PolarHBondContact O-N 2.74Å; L347-T350 PolarHBondContact O-N 2.9Å; L347-F351 HydrophobicContact CB-CD2 4.06Å; L347-F351 HydrophobicContact CD2-CD2 4.07Å; L347-F351 HydrophobicContact CD2-CE2 3.76Å; L347-F351 WeakPolarHBondContact O-CD2 3.29Å; L347-F351 PolarHBondContact O-N 3.38Å; L347-M356 HydrophobicContact CB-CE 4.09Å; L347-M356 HydrophobicContact CB-SD 3.97Å; L347-L359 HydrophobicContact CD1-CD2 3.89Å; L347-F360 HydrophobicContact CD1-CE2 4.41Å; L347-F360 HydrophobicContact CD1-CZ 3.91Å
348E95.8Very high96.4Very high78 Ų7839.6 Ų39.636%0.36421%0.212SC..Hα-helixtrans-51.3-46.7-174.6-176.7-164.8124.300113.3E344 T350 G352 E353 M356E344-E348 WeakPolarHBondContact O-CB 3.28Å; E344-E348 PolarHBondContact O-N 3.36Å; E348-T350 PolarHBondContact O-N 3.17Å; E348-T350 VanDerWaalsContact O-N 3.12Å; E348-G352 VanDerWaalsContact O-CA 3.26Å; E348-G352 WeakPolarHBondContact O-CA 3.49Å; E348-G352 PolarHBondContact O-N 2.91Å; E348-E353 HydrophobicContact CG-CB 3.96Å; E348-M356 HydrophobicContact CB-CG 4.45Å; E348-M356 HydrophobicContact CB-SD 4.39Å
349P94.4Very high96.5Very high86 Ų8639 Ų3956%0.55821%0.209SC*.Hα-helixtrans-63.8-22.6-179.5-23.535.7000114.3V6 P345V6-P349 HydrophobicContact CG1-CG 4.25Å; P345-P349 WeakPolarHBondContact O-CD 3.23Å; P345-P349 WeakPolarHBondContact O-CG 3.14Å
350T94Very high96.6Very high48 Ų4838.5 Ų38.529%0.29421%0.206SC..Hα-helixtrans-94.7-44.8-178-52.30000111.5K270 F274 L347 E348K270-T350 HydrophobicContact CB-CG2 4.41Å; F274-T350 HydrophobicContact CD2-CG2 4.11Å; L347-T350 PolarHBondContact O-N 2.9Å; E348-T350 PolarHBondContact O-N 3.17Å; E348-T350 VanDerWaalsContact O-N 3.12Å
351F96.3Very high96.6Very high12 Ų1242.3 Ų42.35%0.05323%0.225CC..Hα-helixtrans-101.3-18.8-171.2-59.3-69.9000113.8L257 I266 K270 I271 F274 L347 V355 M356L257-F351 HydrophobicContact CD1-CE2 4.19Å; L257-F351 HydrophobicContact CD1-CZ 4.04Å; L257-F351 HydrophobicContact CD2-CD1 4.19Å; L257-F351 HydrophobicContact CD2-CD2 4.22Å; L257-F351 HydrophobicContact CD2-CE1 4.17Å; L257-F351 HydrophobicContact CD2-CE2 4.2Å; L257-F351 HydrophobicContact CD2-CG 4.23Å; L257-F351 HydrophobicContact CD2-CZ 4.18Å; I266-F351 HydrophobicContact CD1-CD1 4.12Å; I266-F351 HydrophobicContact CD1-CE1 4.39Å; K270-F351 HydrophobicContact CB-CD1 4.26Å; K270-F351 HydrophobicContact CB-CE1 3.93Å; I271-F351 HydrophobicContact CG1-CE1 3.88Å; I271-F351 HydrophobicContact CG1-CZ 4.43Å; F274-F351 HydrophobicContact CB-CE2 4.41Å; F274-F351 HydrophobicContact CB-CZ 3.95Å; F274-F351 AromaticContact CD2-CE2 3.8Å; F274-F351 HydrophobicContact CD2-CE2 3.8Å; F274-F351 HydrophobicContact CD2-CZ 4.19Å; F274-F351 HydrophobicContact CE2-CE2 4.19Å; F274-F351 HydrophobicContact CG-CE2 4.04Å; F274-F351 HydrophobicContact CG-CZ 4.08Å; L347-F351 HydrophobicContact CB-CD2 4.06Å; L347-F351 HydrophobicContact CD2-CD2 4.07Å; L347-F351 HydrophobicContact CD2-CE2 3.76Å; L347-F351 WeakPolarHBondContact O-CD2 3.29Å; L347-F351 PolarHBondContact O-N 3.38Å; F351-V355 HydrophobicContact CB-CG2 3.87Å; F351-V355 WeakPolarHBondContact O-CG2 3.23Å; F351-M356 HydrophobicContact CB-CE 3.86Å
352G95.4Very high96.7Very high23 Ų2344.3 Ų44.324%0.23723%0.233CC..  trans97.6145.9-179.100000113.6E348 N354 V355 M356E348-G352 VanDerWaalsContact O-CA 3.26Å; E348-G352 WeakPolarHBondContact O-CA 3.49Å; E348-G352 PolarHBondContact O-N 2.91Å; G352-N354 VanDerWaalsContact C-N 3.31Å; G352-N354 PolarHBondContact O-N 3.44Å; G352-V355 WeakPolarHBondContact O-CG2 3.44Å; G352-V355 PolarHBondContact O-N 3.2Å; G352-M356 WeakPolarHBondContact O-CE 3.24Å
353E95.5Very high96.8Very high144 Ų14443.7 Ų43.767%0.67323%0.229SC*.G310 helixtrans-60.2-40178.2-174.7-174.5179.200112.4E348 V355 M356E348-E353 HydrophobicContact CG-CB 3.96Å; E353-V355 PolarHBondContact O-N 3.5Å; E353-M356 PolarHBondContact O-N 3.31Å; E353-M356 VanDerWaalsContact O-N 3.14Å
354N96.5Very high96.9Very high144 Ų14444 Ų4477%0.7723%0.232SC*.G310 helixtrans-65.3-13.6-175.364.8-50.4000114.7G352G352-N354 VanDerWaalsContact C-N 3.31Å; G352-N354 PolarHBondContact O-N 3.44Å
355V97.4Very high96.9Very high8 Ų848.6 Ų48.65%0.04825%0.251CS..G310 helixtrans-102.1-9.2178.7-49.20000113.3M260 I265 I266 F351 G352 E353 D357 E358 L359M260-V355 HydrophobicContact CE-CB 3.85Å; I265-V355 HydrophobicContact CG2-CG1 4.14Å; I266-V355 HydrophobicContact CG2-CB 4.45Å; I266-V355 HydrophobicContact CG2-CG1 4.15Å; I266-V355 HydrophobicContact CG2-CG2 4.18Å; F351-V355 HydrophobicContact CB-CG2 3.87Å; F351-V355 WeakPolarHBondContact O-CG2 3.23Å; G352-V355 WeakPolarHBondContact O-CG2 3.44Å; G352-V355 PolarHBondContact O-N 3.2Å; E353-V355 PolarHBondContact O-N 3.5Å; V355-D357 PolarHBondContact O-N 2.95Å; V355-E358 PolarHBondContact O-N 3.48Å; V355-L359 VanDerWaalsContact O-CB 3.28Å; V355-L359 WeakPolarHBondContact O-CB 3.35Å; V355-L359 PolarHBondContact O-N 3.23Å
356M97.9Very high97.1Very high1 Ų150 Ų501%0.00526%0.258CS..Hα-helixtrans-63.2-44.4-173.7-67.2-60.3112.200112.6E344 L347 E348 F351 G352 E353 E358 L359 F360E344-M356 HydrophobicContact CG-CG 4.1Å; E344-M356 HydrophobicContact CG-SD 4.11Å; E344-M356 WeakPolarHBondContact OE1-CB 2.77Å; L347-M356 HydrophobicContact CB-CE 4.09Å; L347-M356 HydrophobicContact CB-SD 3.97Å; E348-M356 HydrophobicContact CB-CG 4.45Å; E348-M356 HydrophobicContact CB-SD 4.39Å; F351-M356 HydrophobicContact CB-CE 3.86Å; G352-M356 WeakPolarHBondContact O-CE 3.24Å; E353-M356 PolarHBondContact O-N 3.31Å; E353-M356 VanDerWaalsContact O-N 3.14Å; M356-E358 PolarHBondContact O-N 3.05Å; M356-L359 HydrophobicContact CE-CD2 4.4Å; M356-L359 PolarHBondContact O-N 3.49Å; M356-F360 WeakPolarHBondContact O-CD2 3.38Å; M356-F360 PolarHBondContact O-N 2.92Å; M356-F360 HydrophobicContact SD-CE2 4.24Å
357D98Very high97.2Very high110 Ų11049.9 Ų49.959%0.58826%0.258SS*.Hα-helixtrans-60.5-48.6-179.6-75.3-19.2000112R340 V355 F360 E361R340-D357 IonicContact CZ-OD1 2.76Å; R340-D357 IonicContact NH1-OD1 3.54Å; R340-D357 PolarHBondContact NH1-OD1 2.73Å; R340-D357 IonicContact NH2-OD1 2.84Å; R340-D357 PolarHBondContact NH2-OD1 3.45Å; V355-D357 PolarHBondContact O-N 2.95Å; D357-F360 PolarHBondContact O-N 3.46Å; D357-E361 PolarHBondContact O-N 3.05Å
358E98.3Very high97.2Very high74 Ų7449.9 Ų49.935%0.34626%0.258SS..Hα-helixtrans-67-39.8179.3-176.9169.6175.900111.9M260 I265 V355 M356 F360 E361 R362M260-E358 HydrophobicContact CE-CB 4.09Å; M260-E358 HydrophobicContact CE-CG 4.06Å; I265-E358 WeakPolarHBondContact CD1-OE1 3.4Å; V355-E358 PolarHBondContact O-N 3.48Å; M356-E358 PolarHBondContact O-N 3.05Å; E358-F360 PolarHBondContact O-N 2.75Å; E358-E361 PolarHBondContact O-N 2.76Å; E358-R362 HydrophobicContact CG-CG 4.48Å; E358-R362 WeakPolarHBondContact O-CG 3.15Å; E358-R362 PolarHBondContact O-N 3.15Å; E358-R362 IonicContact OE1-CZ 2.69Å; E358-R362 VanDerWaalsContact OE1-CZ 3.27Å; E358-R362 IonicContact OE1-NE 2.8Å; E358-R362 PolarHBondContact OE1-NE 3.08Å; E358-R362 IonicContact OE1-NH2 3.53Å; E358-R362 PolarHBondContact OE1-NH2 3.49Å
359L98.6Very high97.3Very high0 Ų050 Ų500%026%0.258CS..Hα-helixtrans-56.1-50.4175.3173.659.7000111.1L253 A256 L257 M260 L347 V355 M356 E361 R362 Y363L253-L359 HydrophobicContact CD1-CD1 4.11Å; L253-L359 HydrophobicContact CD1-CD2 4.37Å; L253-L359 HydrophobicContact CD1-CG 4.28Å; A256-L359 HydrophobicContact CB-CD1 3.73Å; L257-L359 HydrophobicContact CD2-CD1 3.7Å; L257-L359 HydrophobicContact CD2-CD2 3.77Å; L257-L359 HydrophobicContact CD2-CG 4.38Å; L257-L359 HydrophobicContact CG-CD1 3.82Å; L257-L359 HydrophobicContact CG-CD2 4.44Å; M260-L359 HydrophobicContact SD-CB 3.83Å; M260-L359 HydrophobicContact SD-CD1 3.99Å; L347-L359 HydrophobicContact CD1-CD2 3.89Å; V355-L359 VanDerWaalsContact O-CB 3.28Å; V355-L359 WeakPolarHBondContact O-CB 3.35Å; V355-L359 PolarHBondContact O-N 3.23Å; M356-L359 HydrophobicContact CE-CD2 4.4Å; M356-L359 PolarHBondContact O-N 3.49Å; L359-E361 VanDerWaalsContact C-N 3.35Å; L359-E361 PolarHBondContact O-N 3.41Å; L359-R362 PolarHBondContact O-N 3.02Å; L359-Y363 VanDerWaalsContact O-CB 3.3Å; L359-Y363 WeakPolarHBondContact O-CB 3.49Å; L359-Y363 PolarHBondContact O-N 2.91Å
360F98.5Very high97.3Very high6 Ų647.2 Ų47.23%0.02624%0.237CC..Hα-helixtrans-75.5-22.4-177.4-74.5-69.5000113.4L253 S336 I339 R340 V343 E344 L347 M356 D357 E358 Y363 A364L253-F360 HydrophobicContact CD1-CE1 4.41Å; S336-F360 PolarHBondContact OG-O 2.88Å; I339-F360 HydrophobicContact CG2-CE1 4.45Å; R340-F360 VanDerWaalsContact CA-CZ 3.45Å; R340-F360 HydrophobicContact CB-CD1 3.58Å; R340-F360 HydrophobicContact CB-CD2 3.88Å; R340-F360 HydrophobicContact CB-CE1 3.61Å; R340-F360 HydrophobicContact CB-CE2 3.92Å; R340-F360 HydrophobicContact CB-CG 3.74Å; R340-F360 HydrophobicContact CB-CZ 3.8Å; R340-F360 VanDerWaalsContact CD-CD2 3.49Å; R340-F360 HydrophobicContact CG-CD1 4.18Å; R340-F360 HydrophobicContact CG-CD2 3.51Å; R340-F360 HydrophobicContact CG-CE1 4.23Å; R340-F360 HydrophobicContact CG-CE2 3.59Å; R340-F360 HydrophobicContact CG-CG 3.85Å; R340-F360 HydrophobicContact CG-CZ 3.96Å; V343-F360 HydrophobicContact CG2-CE1 4.24Å; V343-F360 HydrophobicContact CG2-CZ 3.85Å; E344-F360 HydrophobicContact CB-CE2 4.17Å; L347-F360 HydrophobicContact CD1-CE2 4.41Å; L347-F360 HydrophobicContact CD1-CZ 3.91Å; M356-F360 WeakPolarHBondContact O-CD2 3.38Å; M356-F360 PolarHBondContact O-N 2.92Å; M356-F360 HydrophobicContact SD-CE2 4.24Å; D357-F360 PolarHBondContact O-N 3.46Å; E358-F360 PolarHBondContact O-N 2.75Å; F360-Y363 HydrophobicContact CD1-CD1 4.06Å; F360-Y363 HydrophobicContact CE1-CD1 4.43Å; F360-A364 VanDerWaalsContact O-CB 3.27Å; F360-A364 WeakPolarHBondContact O-CB 3.43Å; F360-A364 PolarHBondContact O-N 3.5Å
361E98.3Very high97.3Very high109 Ų10944.9 Ų44.951%0.50922%0.223SC..Hα-helixtrans-68.3-46.4168-165.1-165.3151.700111.5D357 E358 L359 A364 K365D357-E361 PolarHBondContact O-N 3.05Å; E358-E361 PolarHBondContact O-N 2.76Å; L359-E361 VanDerWaalsContact C-N 3.35Å; L359-E361 PolarHBondContact O-N 3.41Å; E361-A364 PolarHBondContact O-N 2.89Å; E361-K365 PolarHBondContact O-N 3.41Å; E361-K365 WeakPolarHBondContact OE1-CE 3.34Å; E361-K365 IonicContact OE1-NZ 2.71Å; E361-K365 PolarHBondContact OE1-NZ 3.33Å
362R98.5Very high97.1Very high43 Ų4349.7 Ų49.716%0.16224%0.241CC..Hα-helixtrans-62.8-46.2175.8-70.5172.1178.6-106.9-0.7110.8A256 S259 E263 E358 L359 A364 K365 I366A256-R362 HydrophobicContact CB-CB 4.28Å; S259-R362 PolarHBondContact OG-NH1 3.45Å; E263-R362 VanDerWaalsContact CD-NH2 3.29Å; E263-R362 IonicContact OE1-CZ 2.87Å; E263-R362 IonicContact OE1-NH1 3.83Å; E263-R362 PolarHBondContact OE1-NH1 2.97Å; E263-R362 IonicContact OE1-NH2 3.5Å; E263-R362 PolarHBondContact OE1-NH2 2.91Å; E263-R362 IonicContact OE2-CZ 2.68Å; E263-R362 IonicContact OE2-NH1 3.31Å; E263-R362 IonicContact OE2-NH2 3.6Å; E263-R362 PolarHBondContact OE2-NH2 2.97Å; E358-R362 HydrophobicContact CG-CG 4.48Å; E358-R362 WeakPolarHBondContact O-CG 3.15Å; E358-R362 PolarHBondContact O-N 3.15Å; E358-R362 IonicContact OE1-CZ 2.69Å; E358-R362 VanDerWaalsContact OE1-CZ 3.27Å; E358-R362 IonicContact OE1-NE 2.8Å; E358-R362 PolarHBondContact OE1-NE 3.08Å; E358-R362 IonicContact OE1-NH2 3.53Å; E358-R362 PolarHBondContact OE1-NH2 3.49Å; L359-R362 PolarHBondContact O-N 3.02Å; R362-A364 VanDerWaalsContact C-N 3.34Å; R362-A364 PolarHBondContact O-N 2.88Å; R362-K365 PolarHBondContact O-N 3.35Å; R362-I366 WeakPolarHBondContact O-CG1 3.34Å; R362-I366 PolarHBondContact O-N 3.45Å
363Y98.6Very high97Very high0 Ų053.4 Ų53.40%026%0.259CS..Hα-helixtrans-58.1-44.7176-177.7-119000111.7Q249 L252 L253 S336 I339 L359 F360 K365 I366 V367Q249-Y363 WeakPolarHBondContact CB-OH 3.35Å; L252-Y363 HydrophobicContact CB-CD2 4.31Å; L252-Y363 HydrophobicContact CB-CE2 3.73Å; L253-Y363 HydrophobicContact CB-CD2 3.96Å; L253-Y363 HydrophobicContact CB-CE2 3.74Å; L253-Y363 HydrophobicContact CD1-CD2 4.04Å; L253-Y363 HydrophobicContact CD1-CE2 4.47Å; L253-Y363 HydrophobicContact CD1-CG 4.09Å; S336-Y363 WeakPolarHBondContact OG-CD1 3.09Å; I339-Y363 HydrophobicContact CB-CE1 3.84Å; I339-Y363 HydrophobicContact CG1-CE1 4.1Å; I339-Y363 HydrophobicContact CG2-CE1 3.92Å; L359-Y363 VanDerWaalsContact O-CB 3.3Å; L359-Y363 WeakPolarHBondContact O-CB 3.49Å; L359-Y363 PolarHBondContact O-N 2.91Å; F360-Y363 HydrophobicContact CD1-CD1 4.06Å; F360-Y363 HydrophobicContact CE1-CD1 4.43Å; Y363-K365 VanDerWaalsContact C-N 3.29Å; Y363-K365 PolarHBondContact O-N 3.3Å; Y363-I366 PolarHBondContact O-N 3.08Å; Y363-V367 HydrophobicContact CD1-CG2 4.18Å; Y363-V367 HydrophobicContact CD2-CG2 3.84Å; Y363-V367 HydrophobicContact CE1-CG2 3.81Å; Y363-V367 HydrophobicContact CE2-CG2 3.44Å; Y363-V367 VanDerWaalsContact CE2-CG2 3.44Å; Y363-V367 HydrophobicContact CG-CG2 4.18Å; Y363-V367 VanDerWaalsContact CZ-CG2 3.41Å; Y363-V367 WeakPolarHBondContact O-CB 3.46Å; Y363-V367 VanDerWaalsContact O-CG2 3.27Å; Y363-V367 WeakPolarHBondContact O-CG2 3.28Å; Y363-V367 PolarHBondContact O-N 3.11Å
364A98.4Very high96.8Very high10 Ų1047.4 Ų47.48%0.08323%0.233CC..Hα-helixtrans-57.9-39.7176.900000113.2R333 F360 E361 R362 G368R333-A364 HydrophobicContact CG-CB 4.06Å; F360-A364 VanDerWaalsContact O-CB 3.27Å; F360-A364 WeakPolarHBondContact O-CB 3.43Å; F360-A364 PolarHBondContact O-N 3.5Å; E361-A364 PolarHBondContact O-N 2.89Å; R362-A364 VanDerWaalsContact C-N 3.34Å; R362-A364 PolarHBondContact O-N 2.88Å; A364-G368 PolarHBondContact O-N 3.26Å
365K98.3Very high96.5Very high111 Ų11141.7 Ų41.748%0.48320%0.204SC..Hα-helixtrans-66.3-47.8176.6-67.7168.8-171.9164.50110.9E361 R362 Y363 V367 G368 E369E361-K365 PolarHBondContact O-N 3.41Å; E361-K365 WeakPolarHBondContact OE1-CE 3.34Å; E361-K365 IonicContact OE1-NZ 2.71Å; E361-K365 PolarHBondContact OE1-NZ 3.33Å; R362-K365 PolarHBondContact O-N 3.35Å; Y363-K365 VanDerWaalsContact C-N 3.29Å; Y363-K365 PolarHBondContact O-N 3.3Å; K365-V367 PolarHBondContact O-N 3.14Å; K365-G368 PolarHBondContact O-N 3.14Å; K365-E369 WeakPolarHBondContact O-CG 3.33Å; K365-E369 PolarHBondContact O-N 3.42Å
366I98.4Very high96.2Very high41 Ų4141.6 Ų41.621%0.2120%0.204CC..Hα-helixtrans-59.8-48.3179.1-67.4167.9000110.8L252 Q255 A256 R362 Y363 G368 E369 Y370L252-I366 HydrophobicContact CB-CG2 3.94Å; L252-I366 HydrophobicContact CD1-CG2 4.47Å; L252-I366 HydrophobicContact CD2-CG2 3.77Å; L252-I366 HydrophobicContact CG-CG2 4.25Å; Q255-I366 HydrophobicContact CB-CD1 4.22Å; A256-I366 HydrophobicContact CB-CD1 3.91Å; R362-I366 WeakPolarHBondContact O-CG1 3.34Å; R362-I366 PolarHBondContact O-N 3.45Å; Y363-I366 PolarHBondContact O-N 3.08Å; I366-G368 VanDerWaalsContact C-N 3.3Å; I366-G368 PolarHBondContact O-N 3Å; I366-E369 PolarHBondContact O-N 2.62Å; I366-Y370 PolarHBondContact O-N 3.06Å
367V97.4Very high95.8Very high0 Ų042.3 Ų42.30%021%0.206CC..Hα-helixtrans-62.7-40177.5178.70000110.8L252 W308 V335 Y363 K365 Y370 F371L252-V367 HydrophobicContact CB-CG2 4.48Å; L252-V367 HydrophobicContact CD1-CG2 3.98Å; W308-V367 HydrophobicContact CE3-CG1 4.24Å; W308-V367 HydrophobicContact CZ3-CG1 4.17Å; V335-V367 HydrophobicContact CB-CG1 4.05Å; V335-V367 HydrophobicContact CG1-CG1 3.99Å; Y363-V367 HydrophobicContact CD1-CG2 4.18Å; Y363-V367 HydrophobicContact CD2-CG2 3.84Å; Y363-V367 HydrophobicContact CE1-CG2 3.81Å; Y363-V367 HydrophobicContact CE2-CG2 3.44Å; Y363-V367 VanDerWaalsContact CE2-CG2 3.44Å; Y363-V367 HydrophobicContact CG-CG2 4.18Å; Y363-V367 VanDerWaalsContact CZ-CG2 3.41Å; Y363-V367 WeakPolarHBondContact O-CB 3.46Å; Y363-V367 VanDerWaalsContact O-CG2 3.27Å; Y363-V367 WeakPolarHBondContact O-CG2 3.28Å; Y363-V367 PolarHBondContact O-N 3.11Å; K365-V367 PolarHBondContact O-N 3.14Å; V367-Y370 WeakPolarHBondContact O-CB 3.37Å; V367-Y370 PolarHBondContact O-N 2.97Å; V367-F371 HydrophobicContact CG1-CD2 3.77Å; V367-F371 HydrophobicContact CG1-CE2 3.75Å; V367-F371 WeakPolarHBondContact O-CD2 3.46Å; V367-F371 PolarHBondContact O-N 3.13Å
368G96.8Very high95.5Very high0 Ų037.7 Ų37.70%018%0.181CC..Hα-helixtrans-64.3-41.5177.800000113.8A328 A364 K365 I366 Y370 F371 Y372A328-G368 WeakPolarHBondContact CB-O 3.5Å; A328-G368 VanDerWaalsContact O-CA 3.3Å; A328-G368 WeakPolarHBondContact O-CA 3.42Å; A364-G368 PolarHBondContact O-N 3.26Å; K365-G368 PolarHBondContact O-N 3.14Å; I366-G368 VanDerWaalsContact C-N 3.3Å; I366-G368 PolarHBondContact O-N 3Å; G368-Y370 VanDerWaalsContact C-N 3.31Å; G368-F371 PolarHBondContact O-N 2.67Å; G368-Y372 PolarHBondContact O-N 3.3Å; G368-Y372 VanDerWaalsContact O-N 3.17Å
369E96.9Very high95.3Very high79 Ų7934.1 Ų34.137%0.36916%0.164SC..Hα-helixtrans-65.1-37172.6-65.1-63.5160.800111.4K325 K365 I366 Y372 V373K325-E369 WeakPolarHBondContact CE-OE1 3.41Å; K325-E369 IonicContact NZ-OE1 2.68Å; K325-E369 PolarHBondContact NZ-OE1 3.18Å; K325-E369 IonicContact NZ-OE2 3.08Å; K325-E369 PolarHBondContact NZ-OE2 2.92Å; K365-E369 WeakPolarHBondContact O-CG 3.33Å; K365-E369 PolarHBondContact O-N 3.42Å; I366-E369 PolarHBondContact O-N 2.62Å; E369-Y372 WeakPolarHBondContact O-CB 3.41Å; E369-Y372 PolarHBondContact O-N 2.68Å; E369-Y372 VanDerWaalsContact O-N 3.16Å; E369-V373 PolarHBondContact O-N 3.47Å
370Y95.4Very high95.1Very high28 Ų2834.1 Ų34.111%0.1116%0.164CC..Hα-helixtrans-64.6-41.3174.6-177.4-119.2000112E244 Y248 L252 W308 I366 V367 G368 Y372 V373 S374 P376E244-Y370 VanDerWaalsContact CD-OH 3.3Å; E244-Y370 PolarHBondContact OE2-OH 2.88Å; Y248-Y370 HydrophobicContact CD1-CD1 4.3Å; Y248-Y370 AromaticContact CD1-CE1 3.62Å; Y248-Y370 HydrophobicContact CD1-CE1 3.62Å; Y248-Y370 HydrophobicContact CD1-CE2 4.01Å; Y248-Y370 AromaticContact CD1-CZ 3.49Å; Y248-Y370 VanDerWaalsContact CD1-CZ 3.49Å; Y248-Y370 HydrophobicContact CE1-CD1 4.37Å; Y248-Y370 AromaticContact CE1-CD2 3.96Å; Y248-Y370 HydrophobicContact CE1-CD2 3.96Å; Y248-Y370 AromaticContact CE1-CE1 3.94Å; Y248-Y370 HydrophobicContact CE1-CE1 3.94Å; Y248-Y370 AromaticContact CE1-CE2 3.55Å; Y248-Y370 HydrophobicContact CE1-CE2 3.55Å; Y248-Y370 HydrophobicContact CE1-CG 4.37Å; Y248-Y370 AromaticContact CE1-CZ 3.56Å; L252-Y370 HydrophobicContact CD1-CD1 3.82Å; L252-Y370 HydrophobicContact CD1-CE1 4.5Å; L252-Y370 HydrophobicContact CD1-CG 4.08Å; W308-Y370 HydrophobicContact CH2-CD1 4.04Å; W308-Y370 AromaticContact CH2-CE1 3.73Å; W308-Y370 HydrophobicContact CH2-CE1 3.73Å; W308-Y370 HydrophobicContact CZ2-CE1 4.24Å; W308-Y370 AromaticContact CZ3-CD1 3.96Å; W308-Y370 HydrophobicContact CZ3-CD1 3.96Å; W308-Y370 HydrophobicContact CZ3-CE1 4.07Å; I366-Y370 PolarHBondContact O-N 3.06Å; V367-Y370 WeakPolarHBondContact O-CB 3.37Å; V367-Y370 PolarHBondContact O-N 2.97Å; G368-Y370 VanDerWaalsContact C-N 3.31Å; Y370-Y372 PolarHBondContact O-N 3.48Å; Y370-V373 PolarHBondContact O-N 2.85Å; Y370-S374 WeakPolarHBondContact CD2-OG 3.45Å; Y370-S374 WeakPolarHBondContact CE1-OG 3.49Å; Y370-S374 WeakPolarHBondContact CE2-OG 3.38Å; Y370-S374 WeakPolarHBondContact O-CB 3.43Å; Y370-S374 PolarHBondContact O-N 3.45Å; Y370-S374 PolarHBondContact O-OG 3.12Å; Y370-P376 HydrophobicContact CD1-CB 4.21Å; Y370-P376 HydrophobicContact CD1-CG 4.27Å; Y370-P376 HydrophobicContact CE1-CB 3.55Å; Y370-P376 HydrophobicContact CE1-CG 4.1Å
371F93.8Very high95Very high0 Ų033.9 Ų33.90%016%0.163CC..Hα-helixtrans-62.2-24172.3-94.5-75.3000114.3W308 E309 A328 V335 V367 G368 V373 S374 P376W308-F371 HydrophobicContact CB-CE2 4.49Å; W308-F371 HydrophobicContact CB-CZ 3.89Å; W308-F371 HydrophobicContact CE3-CE2 4.31Å; E309-F371 HydrophobicContact CG-CE1 4.35Å; E309-F371 HydrophobicContact CG-CZ 3.87Å; A328-F371 HydrophobicContact CB-CB 3.98Å; V335-F371 HydrophobicContact CB-CE2 4.32Å; V335-F371 HydrophobicContact CG2-CE2 3.66Å; V335-F371 HydrophobicContact CG2-CZ 3.85Å; V367-F371 HydrophobicContact CG1-CD2 3.77Å; V367-F371 HydrophobicContact CG1-CE2 3.75Å; V367-F371 WeakPolarHBondContact O-CD2 3.46Å; V367-F371 PolarHBondContact O-N 3.13Å; G368-F371 PolarHBondContact O-N 2.67Å; F371-V373 VanDerWaalsContact C-N 3.34Å; F371-S374 VanDerWaalsContact O-O 3.06Å; F371-P376 HydrophobicContact CD1-CG 3.9Å; F371-P376 HydrophobicContact CD2-CG 4.4Å; F371-P376 HydrophobicContact CE1-CG 3.6Å; F371-P376 HydrophobicContact CE2-CG 4.12Å; F371-P376 HydrophobicContact CG-CG 4.31Å; F371-P376 HydrophobicContact CZ-CG 3.73Å
372Y93Very high95Very high112 Ų11228.7 Ų28.744%0.43914%0.139SC..Hα-helixtrans-74.3-29.5179.6-177.3-116.3000111.9K325 A328 G368 E369 Y370K325-Y372 HydrophobicContact CB-CD2 4.05Å; K325-Y372 HydrophobicContact CB-CE2 3.92Å; A328-Y372 HydrophobicContact CB-CD2 4.32Å; G368-Y372 PolarHBondContact O-N 3.3Å; G368-Y372 VanDerWaalsContact O-N 3.17Å; E369-Y372 WeakPolarHBondContact O-CB 3.41Å; E369-Y372 PolarHBondContact O-N 2.68Å; E369-Y372 VanDerWaalsContact O-N 3.16Å; Y370-Y372 PolarHBondContact O-N 3.48Å
373V92.8Very high95Very high101 Ų10126.6 Ų26.661%0.61213%0.131SC*.Hα-helixtrans-111-5.7-177-58.30000113.8E369 Y370 F371E369-V373 PolarHBondContact O-N 3.47Å; Y370-V373 PolarHBondContact O-N 2.85Å; F371-V373 VanDerWaalsContact C-N 3.34Å
374S90.9Very high95Very high18 Ų1826.6 Ų26.613%0.12613%0.131CC..  trans-142.7172.9-176.377.10000112.4L320 R323 Y370 F371L320-S374 VanDerWaalsContact CD1-C 3.41Å; L320-S374 VanDerWaalsContact CD1-CA 3.44Å; R323-S374 PolarHBondContact NH1-O 2.81Å; Y370-S374 WeakPolarHBondContact CD2-OG 3.45Å; Y370-S374 WeakPolarHBondContact CE1-OG 3.49Å; Y370-S374 WeakPolarHBondContact CE2-OG 3.38Å; Y370-S374 WeakPolarHBondContact O-CB 3.43Å; Y370-S374 PolarHBondContact O-N 3.45Å; Y370-S374 PolarHBondContact O-OG 3.12Å; F371-S374 VanDerWaalsContact O-O 3.06Å
375S89.4Confident95Very high24 Ų2426.1 Ų26.117%0.16813%0.127CC..  trans-129.481.9173.3-75.30000109.7V321 R323V321-S375 WeakPolarHBondContact CB-OG 3.41Å; V321-S375 PolarHBondContact N-OG 3.41Å; R323-S375 PolarHBondContact NH1-OG 2.89Å
376P91Very high95Very high6 Ų622 Ų224%0.03911%0.111CC..  trans-76.6145-165.633.6-38.3000112.6W308 Y370 F371W308-P376 HydrophobicContact CB-CG 4.37Å; W308-P376 HydrophobicContact CD2-CB 3.58Å; W308-P376 HydrophobicContact CD2-CG 3.78Å; W308-P376 HydrophobicContact CE3-CB 3.95Å; W308-P376 HydrophobicContact CE3-CG 3.83Å; W308-P376 HydrophobicContact CG-CB 3.94Å; W308-P376 HydrophobicContact CG-CG 4.01Å; W308-P376 HydrophobicContact CH2-CB 4.3Å; W308-P376 HydrophobicContact CZ2-CB 3.95Å; W308-P376 HydrophobicContact CZ3-CB 4.3Å; W308-P376 HydrophobicContact CZ3-CG 4.4Å; W308-P376 PolarHBondContact N-O 3.46Å; Y370-P376 HydrophobicContact CD1-CB 4.21Å; Y370-P376 HydrophobicContact CD1-CG 4.27Å; Y370-P376 HydrophobicContact CE1-CB 3.55Å; Y370-P376 HydrophobicContact CE1-CG 4.1Å; F371-P376 HydrophobicContact CD1-CG 3.9Å; F371-P376 HydrophobicContact CD2-CG 4.4Å; F371-P376 HydrophobicContact CE1-CG 3.6Å; F371-P376 HydrophobicContact CE2-CG 4.12Å; F371-P376 HydrophobicContact CG-CG 4.31Å; F371-P376 HydrophobicContact CZ-CG 3.73Å
377R90.6Very high94.9Very high17 Ų1722.5 Ų22.56%0.06411%0.11CC..EExtended strand (participates in β ladder)trans-138.2152-171.5-56.6175.7-169.4-162.1-12.8110.7I306 W308 I313 S317I306-R377 CarbonylContact O-C 3.59Å; I306-R377 WeakPolarHBondContact O-CA 3.21Å; I306-R377 WeakPolarHBondContact O-CB 3.44Å; W308-R377 PolarHBondContact NE1-O 2.98Å; I313-R377 HydrophobicContact CD1-CG 3.81Å; S317-R377 PolarHBondContact O-NH1 3.14Å; S317-R377 PolarHBondContact O-NH2 2.96Å
378Y91.7Very high94.6Very high12 Ų1224.5 Ų24.55%0.04713%0.127CC..EExtended strand (participates in β ladder)trans-95.1150.2160.2-49.6-69.1000109.9L234 Q249 P305 I306 W308L234-Y378 HydrophobicContact CD2-CD1 3.51Å; L234-Y378 HydrophobicContact CD2-CE1 3.87Å; L234-Y378 HydrophobicContact CD2-CG 4.03Å; Q249-Y378 VanDerWaalsContact CD-OH 3.25Å; Q249-Y378 PolarHBondContact NE2-OH 3.13Å; Q249-Y378 VanDerWaalsContact OE1-CE1 3.25Å; Q249-Y378 PolarHBondContact OE1-OH 2.81Å; Q249-Y378 VanDerWaalsContact OE1-OH 3.07Å; P305-Y378 WeakPolarHBondContact CA-O 3.42Å; I306-Y378 HydrophobicContact CG2-CD2 3.72Å; I306-Y378 HydrophobicContact CG2-CG 4.34Å; I306-Y378 PolarHBondContact N-O 3.44Å; I306-Y378 VanDerWaalsContact N-O 3.15Å; I306-Y378 PolarHBondContact O-N 2.71Å; W308-Y378 HydrophobicContact CB-CE2 4.32Å; W308-Y378 AromaticContact CD1-CD1 3.76Å; W308-Y378 AromaticContact CD1-CD2 4Å; W308-Y378 AromaticContact CD1-CE1 3.59Å; W308-Y378 AromaticContact CD1-CE2 3.85Å; W308-Y378 AromaticContact CD1-CG 3.98Å; W308-Y378 AromaticContact CD1-CZ 3.65Å; W308-Y378 HydrophobicContact CG-CE1 4.22Å; W308-Y378 HydrophobicContact CG-CE2 4.29Å; W308-Y378 AromaticContact CG-CZ 3.98Å; W308-Y378 AromaticContact NE1-CD1 3.75Å; W308-Y378 AromaticContact NE1-CE1 3.67Å
379A93.1Very high93.8Very high0 Ų030.2 Ų30.20%019%0.186CC..EExtended strand (participates in β ladder)trans-93.8114.6161.600000108.3G235 E245 I303G235-A379 PolarHBondContact N-O 3.35Å; E245-A379 HydrophobicContact CB-CB 4.47Å; I303-A379 HydrophobicContact CG2-CB 3.75Å
380I94.7Very high93.6Very high0 Ų027.8 Ų27.80%018%0.177CC..EExtended strand (participates in β ladder)trans-99112.9179.2-54.2-55000108.4I28 L31 L234 I303 S304 I306 I382I28-I380 HydrophobicContact CD1-CD1 3.65Å; I28-I380 HydrophobicContact CD1-CG1 4.44Å; I28-I380 HydrophobicContact CG1-CD1 3.85Å; I28-I380 HydrophobicContact CG1-CG1 4.09Å; I28-I380 HydrophobicContact CG1-CG2 4.48Å; I28-I380 HydrophobicContact CG2-CG2 3.86Å; L31-I380 HydrophobicContact CD2-CB 4.21Å; L31-I380 HydrophobicContact CD2-CG1 4.46Å; L31-I380 HydrophobicContact CD2-CG2 4.33Å; L234-I380 HydrophobicContact CG-CD1 4.24Å; I303-I380 CarbonylContact C-O 3.48Å; I303-I380 VanDerWaalsContact CA-O 3.32Å; I303-I380 WeakPolarHBondContact CA-O 3.49Å; S304-I380 PolarHBondContact N-O 3.48Å; S304-I380 PolarHBondContact O-N 3.14Å; I306-I380 HydrophobicContact CB-CG1 4.31Å; I306-I380 HydrophobicContact CG2-CD1 3.88Å; I306-I380 HydrophobicContact CG2-CG1 3.55Å; I380-I382 HydrophobicContact CG2-CG1 4.22Å
381V96.9Very high93.5Very high0 Ų027.8 Ų27.80%018%0.18CC..EExtended strand (participates in β ladder)trans-73.2131.3168.9173.30000108S232 F233 L286 L301 I303 L383S232-V381 CarbonylContact C-O 3.57Å; S232-V381 WeakPolarHBondContact CA-O 3.38Å; F233-V381 HydrophobicContact CD2-CB 4.43Å; F233-V381 HydrophobicContact CE1-CG1 4.21Å; F233-V381 HydrophobicContact CE2-CB 4.19Å; F233-V381 HydrophobicContact CE2-CG1 4.28Å; F233-V381 HydrophobicContact CE2-CG2 4.43Å; F233-V381 HydrophobicContact CZ-CB 4.28Å; F233-V381 HydrophobicContact CZ-CG1 3.9Å; F233-V381 PolarHBondContact N-O 3.27Å; F233-V381 PolarHBondContact O-N 3.22Å; L286-V381 HydrophobicContact CD1-CB 4.44Å; L286-V381 HydrophobicContact CD1-CG1 3.65Å; L286-V381 HydrophobicContact CD1-CG2 4.06Å; L301-V381 HydrophobicContact CD1-CG1 3.75Å; I303-V381 HydrophobicContact CD1-CG2 4.38Å; I303-V381 HydrophobicContact CG1-CG2 4.19Å; V381-L383 HydrophobicContact CG1-CB 4.26Å
382I98Very high93.5Very high0 Ų029.3 Ų29.30%019%0.19CC..EExtended strand (participates in β ladder)trans-122.3117.2168.3-56.9165.8000107.4L31 V35 L231 L301 E302 I380L31-I382 HydrophobicContact CB-CD1 4.38Å; L31-I382 HydrophobicContact CD2-CD1 4.16Å; L31-I382 HydrophobicContact CG-CD1 3.81Å; V35-I382 HydrophobicContact CB-CG2 3.89Å; V35-I382 HydrophobicContact CG1-CG2 4.08Å; V35-I382 HydrophobicContact CG2-CG2 3.76Å; L231-I382 WeakPolarHBondContact O-CA 3.28Å; L301-I382 WeakPolarHBondContact CA-O 3.42Å; E302-I382 HydrophobicContact CG-CB 3.8Å; E302-I382 HydrophobicContact CG-CD1 4.3Å; E302-I382 HydrophobicContact CG-CG2 4.41Å; E302-I382 PolarHBondContact N-O 3.11Å; E302-I382 PolarHBondContact O-N 3.38Å; I380-I382 HydrophobicContact CG2-CG1 4.22Å
383L98.3Very high93.5Very high0 Ų024.5 Ų24.50%018%0.176CC..EExtended strand (participates in β ladder)trans-126.7121.8-171.1175.161.1000109.7F212 V230 L231 I290 I298 R300 L301 V381 L385F212-L383 HydrophobicContact CZ-CD2 4.22Å; V230-L383 WeakPolarHBondContact CA-O 3.49Å; L231-L383 HydrophobicContact CB-CB 4.34Å; L231-L383 HydrophobicContact CD1-CD2 4.15Å; L231-L383 PolarHBondContact N-O 3.07Å; L231-L383 PolarHBondContact O-N 3.21Å; I290-L383 HydrophobicContact CD1-CD1 4.35Å; I290-L383 HydrophobicContact CD1-CD2 3.78Å; I298-L383 HydrophobicContact CG1-CD1 4.42Å; I298-L383 HydrophobicContact CG2-CD1 3.97Å; R300-L383 WeakPolarHBondContact O-CA 3.37Å; R300-L383 WeakPolarHBondContact O-CD1 3.24Å; L301-L383 HydrophobicContact CB-CD1 4.15Å; L301-L383 HydrophobicContact CD1-CB 4.37Å; L301-L383 HydrophobicContact CD1-CD1 4.19Å; V381-L383 HydrophobicContact CG1-CB 4.26Å; L383-L385 HydrophobicContact CD1-CD2 3.7Å; L383-L385 HydrophobicContact CD1-CG 4.21Å; L383-L385 HydrophobicContact CD2-CD1 4.13Å; L383-L385 HydrophobicContact CD2-CD2 4.22Å; L383-L385 HydrophobicContact CD2-CG 4.22Å; L383-L385 HydrophobicContact CG-CD1 4.35Å; L383-L385 HydrophobicContact CG-CD2 3.96Å; L383-L385 HydrophobicContact CG-CG 3.92Å
384S98.6Very high93.6Very high0 Ų019.7 Ų19.70%015%0.149CC..EExtended strand (participates in β ladder)trans-106.1125.1171-179.40000109.2M229 D299 R300M229-S384 CarbonylContact O-C 3.58Å; M229-S384 WeakPolarHBondContact O-CA 3.5Å; D299-S384 PolarHBondContact N-O 3.21Å; D299-S384 PolarHBondContact OD2-OG 2.98Å; R300-S384 PolarHBondContact N-O 3.28Å; R300-S384 PolarHBondContact O-N 3.4Å
385L98.6Very high93.7Very high0 Ų019.8 Ų19.80%015%0.15CC..EExtended strand (participates in β ladder)trans-120.8148179.8-60.9176.3000110.3L216 R228 M229 L231 I290 F296 S297 I298 L383L216-L385 HydrophobicContact CD2-CD1 3.81Å; R228-L385 CarbonylContact C-O 3.54Å; R228-L385 VanDerWaalsContact CA-O 3.29Å; R228-L385 WeakPolarHBondContact CA-O 3.01Å; M229-L385 HydrophobicContact CB-CB 4.26Å; M229-L385 HydrophobicContact CE-CB 4.34Å; M229-L385 HydrophobicContact CE-CD1 3.61Å; M229-L385 PolarHBondContact N-O 3.1Å; M229-L385 PolarHBondContact O-N 3.04Å; L231-L385 HydrophobicContact CD1-CD1 3.96Å; I290-L385 HydrophobicContact CD1-CD2 4.15Å; I290-L385 HydrophobicContact CG2-CD2 4.4Å; F296-L385 HydrophobicContact CB-CB 4.23Å; F296-L385 HydrophobicContact CB-CD1 4.44Å; F296-L385 HydrophobicContact CB-CD2 4.44Å; F296-L385 HydrophobicContact CD1-CB 4.09Å; F296-L385 HydrophobicContact CG-CB 4.4Å; S297-L385 WeakPolarHBondContact O-CA 3.47Å; I298-L385 HydrophobicContact CB-CD2 4.41Å; I298-L385 HydrophobicContact CG1-CD2 3.87Å; L383-L385 HydrophobicContact CD1-CD2 3.7Å; L383-L385 HydrophobicContact CD1-CG 4.21Å; L383-L385 HydrophobicContact CD2-CD1 4.13Å; L383-L385 HydrophobicContact CD2-CD2 4.22Å; L383-L385 HydrophobicContact CD2-CG 4.22Å; L383-L385 HydrophobicContact CG-CD1 4.35Å; L383-L385 HydrophobicContact CG-CD2 3.96Å; L383-L385 HydrophobicContact CG-CG 3.92Å
386V98.2Very high94.1Very high24 Ų2419.5 Ų19.515%0.14515%0.149CC..EExtended strand (participates in β ladder)trans-123.6134.4169.962.30000110.2G227 R228 F296 S297 A388G227-V386 WeakPolarHBondContact O-CA 3.36Å; R228-V386 HydrophobicContact CG-CB 4.3Å; R228-V386 HydrophobicContact CG-CG2 4.17Å; F296-V386 WeakPolarHBondContact CA-O 3.38Å; S297-V386 PolarHBondContact N-O 3.17Å; S297-V386 PolarHBondContact O-N 2.78Å; S297-V386 WeakPolarHBondContact OG-CG1 3.46Å; V386-A388 PolarHBondContact O-N 3.07Å
387R97.6Very high94.3Very high51 Ų5120.5 Ų20.519%0.19216%0.157CC..EExtended strand (participates in β ladder)trans-68.9120.4178.3-179.654.2175.6134.2-12109.2S220 L223 V224 G226 G227 S295 F296S220-R387 VanDerWaalsContact CB-CZ 3.46Å; S220-R387 VanDerWaalsContact O-CZ 3.31Å; S220-R387 PolarHBondContact O-NE 3.13Å; S220-R387 PolarHBondContact O-NH2 3.4Å; S220-R387 PolarHBondContact OG-NH2 2.97Å; L223-R387 HydrophobicContact CB-CB 4.29Å; L223-R387 HydrophobicContact CB-CG 4.3Å; V224-R387 WeakPolarHBondContact O-CG 3.47Å; G226-R387 PolarHBondContact N-O 3.23Å; G227-R387 WeakPolarHBondContact O-CB 3.27Å; G227-R387 PolarHBondContact O-N 3.23Å; S295-R387 WeakPolarHBondContact O-CD 3.22Å; S295-R387 PolarHBondContact O-NH1 3.48Å; S295-R387 PolarHBondContact OG-NH1 3.04Å; F296-R387 HydrophobicContact CD1-CB 4.22Å; F296-R387 HydrophobicContact CE1-CB 3.88Å; F296-R387 HydrophobicContact CE1-CG 4.44Å
388A91.3Very high94.6Very high42 Ų4220.8 Ų20.835%0.34717%0.165SC..  trans-61.1153.2173.500000111.4S295 V386S295-A388 WeakPolarHBondContact O-CB 3.36Å; S295-A388 PolarHBondContact O-N 2.87Å; V386-A388 PolarHBondContact O-N 3.07Å
389G78.3Confident94.9Very high121 Ų12121.6 Ų21.6100%1.24718%0.176SC*.  trans-63.90-174.900000115.5

Retrieved 389 of 389 residues in 1717.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).