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Aerobic glycerol-3-phosphate dehydrogenase

AlphaFold DB (Q2FYZ4), UniProt , Accession Q99UH2, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene glpD, Length 557 aa.

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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
1M74.6Confident94.7Very high77 Ų7749.1 Ų49.138%0.37924%0.237SC..  0136.20-172.6-176.9-65.600108.5K7 I11 A182M1-K7 HydrophobicContact CG-CD 4.19Å; M1-I11 HydrophobicContact SD-CG1 4.37Å; M1-A182 PolarHBondContact N-O 3.45Å; M1-A182 CarbonylContact O-C 3.47Å; M1-A182 VanDerWaalsContact O-C 3.28Å; M1-A182 WeakPolarHBondContact O-CB 3.1Å
2A89.3Confident95Very high28 Ų2845.3 Ų45.323%0.23122%0.218CC..  trans-63.4135.917200000111.2S4A2-S4 PolarHBondContact O-N 3.21Å
3L96Very high95.2Very high4 Ų451.8 Ų51.82%0.02125%0.245CC..BIsolated β-bridgetrans-78.964.5176.2-170.968.2000109.4F53 M178 K179 A182 I188 Q486 E487 M488L3-F53 HydrophobicContact CD1-CE2 4.18Å; L3-F53 HydrophobicContact CD1-CZ 4.33Å; L3-F53 HydrophobicContact CD2-CD2 4.26Å; L3-F53 HydrophobicContact CD2-CE2 3.83Å; L3-F53 HydrophobicContact CG-CE2 4.21Å; L3-M178 HydrophobicContact CD2-CB 4.24Å; L3-M178 HydrophobicContact CD2-CG 3.85Å; L3-K179 HydrophobicContact CB-CG 4.18Å; L3-K179 HydrophobicContact CD2-CG 4.01Å; L3-A182 HydrophobicContact CB-CB 4.21Å; L3-A182 HydrophobicContact CD1-CB 4.22Å; L3-I188 HydrophobicContact CD1-CB 3.8Å; L3-I188 HydrophobicContact CD1-CG2 4.08Å; L3-Q486 CarbonylContact O-C 3.5Å; L3-E487 CarbonylContact O-C 3.57Å; L3-E487 WeakPolarHBondContact O-CA 3.09Å; L3-E487 PolarHBondContact O-N 2.87Å; L3-M488 HydrophobicContact CD1-CE 3.75Å; L3-M488 HydrophobicContact CD1-SD 4.46Å; L3-M488 HydrophobicContact CG-CB 4.07Å; L3-M488 HydrophobicContact CG-CE 4.25Å; L3-M488 WeakPolarHBondContact O-CA 3.19Å; L3-M488 WeakPolarHBondContact O-CB 3.37Å; L3-M488 PolarHBondContact O-N 3.3Å
4S98.2Very high95.4Very high8 Ų850.1 Ų50.16%0.05624%0.238CC..  trans-97.9139.7-168.4-169.80000113A2 F6 K7 Q485A2-S4 PolarHBondContact O-N 3.21Å; S4-F6 PolarHBondContact O-N 2.82Å; S4-F6 PolarHBondContact OG-N 3.45Å; S4-K7 PolarHBondContact O-N 3.44Å; S4-K7 VanDerWaalsContact O-N 3.1Å; S4-Q485 VanDerWaalsContact CA-O 3.25Å; S4-Q485 WeakPolarHBondContact CA-O 3.47Å; S4-Q485 WeakPolarHBondContact CB-O 3.4Å; S4-Q485 PolarHBondContact OG-O 2.79Å
5T98.2Very high95.7Very high8 Ų846.8 Ų46.85%0.04922%0.223CC..G310 helixtrans-60.7-33.7170.7-68.20000112K7 R8 I484 M488 V489 Y490 L525T5-K7 PolarHBondContact O-N 2.75Å; T5-K7 VanDerWaalsContact O-N 3.12Å; T5-R8 WeakPolarHBondContact O-CG 3.41Å; T5-R8 PolarHBondContact O-N 3.23Å; T5-I484 WeakPolarHBondContact CB-O 3.1Å; T5-I484 PolarHBondContact N-O 2.79Å; T5-M488 WeakPolarHBondContact OG1-CA 3.44Å; T5-V489 PolarHBondContact OG1-N 3.43Å; T5-V489 PolarHBondContact OG1-O 2.77Å; T5-Y490 HydrophobicContact CG2-CD2 3.64Å; T5-Y490 HydrophobicContact CG2-CE2 4.33Å; T5-L525 HydrophobicContact CG2-CD1 4.28Å; T5-L525 HydrophobicContact CG2-CD2 3.56Å
6F97.9Very high95.8Very high112 Ų11248.8 Ų48.849%0.49123%0.227SC..G310 helixtrans-68.5-10.9177.8-58.1-60.2000114S4 I484 Q485 M524 L525S4-F6 PolarHBondContact O-N 2.82Å; S4-F6 PolarHBondContact OG-N 3.45Å; F6-I484 HydrophobicContact CE2-CG2 3.76Å; F6-I484 HydrophobicContact CZ-CG2 3.73Å; F6-Q485 HydrophobicContact CD2-CG 4.43Å; F6-Q485 HydrophobicContact CE2-CG 3.91Å; F6-M524 WeakPolarHBondContact CE1-O 3.4Å; F6-M524 HydrophobicContact CE2-CE 4.37Å; F6-M524 HydrophobicContact CZ-CE 4.02Å; F6-L525 HydrophobicContact CD1-CD2 4.5Å; F6-L525 HydrophobicContact CE1-CD2 3.83Å; F6-L525 HydrophobicContact CZ-CD2 4.21Å
7K97.3Very high95.9Very high81 Ų8152.6 Ų52.635%0.35225%0.249SC..G310 helixtrans-1002.3178.9-68.2-176179.1177.80113.7M1 S4 T5 E9 H10 I11M1-K7 HydrophobicContact CG-CD 4.19Å; S4-K7 PolarHBondContact O-N 3.44Å; S4-K7 VanDerWaalsContact O-N 3.1Å; T5-K7 PolarHBondContact O-N 2.75Å; T5-K7 VanDerWaalsContact O-N 3.12Å; K7-E9 PolarHBondContact O-N 2.6Å; K7-H10 WeakPolarHBondContact O-CB 3.36Å; K7-H10 PolarHBondContact O-N 2.56Å; K7-H10 VanDerWaalsContact O-N 3.12Å; K7-I11 HydrophobicContact CB-CD1 4.23Å; K7-I11 WeakPolarHBondContact O-CG1 3.29Å; K7-I11 PolarHBondContact O-N 3.02Å
8R97.4Very high96.1Very high11 Ų1152.4 Ų52.44%0.04225%0.25CS..Hα-helixtrans-54.2-48.5-176.5-73.8179.174.374.43.4113.2T5 H10 I11 K12 N190 M488T5-R8 WeakPolarHBondContact O-CG 3.41Å; T5-R8 PolarHBondContact O-N 3.23Å; R8-H10 VanDerWaalsContact C-N 3.33Å; R8-H10 PolarHBondContact O-N 3.04Å; R8-I11 PolarHBondContact O-N 3.25Å; R8-K12 WeakPolarHBondContact O-CG 3.4Å; R8-K12 PolarHBondContact O-N 3.02Å; R8-N190 PolarHBondContact NH1-O 2.84Å; R8-N190 PolarHBondContact NH1-OD1 3.4Å; R8-N190 PolarHBondContact NH2-O 2.87Å; R8-M488 HydrophobicContact CG-CG 4.46Å; R8-M488 HydrophobicContact CG-SD 4.45Å
9E96.8Very high96.2Very high116 Ų11655.3 Ų55.354%0.54226%0.264SS..Hα-helixtrans-64.2-37.2179.5-66.1-51.2129.800112.8K7 K12 K13K7-E9 PolarHBondContact O-N 2.6Å; E9-K12 VanDerWaalsContact CD-NZ 3.34Å; E9-K12 PolarHBondContact O-N 2.76Å; E9-K12 WeakPolarHBondContact OE1-CE 3.14Å; E9-K12 IonicContact OE1-NZ 3.84Å; E9-K12 PolarHBondContact OE1-NZ 3.39Å; E9-K12 WeakPolarHBondContact OE2-CE 3.24Å; E9-K12 IonicContact OE2-NZ 2.84Å; E9-K12 PolarHBondContact OE2-NZ 3.09Å; E9-K13 WeakPolarHBondContact O-CB 3.24Å; E9-K13 PolarHBondContact O-N 3.4Å
10H97.5Very high96.3Very high92 Ų9252.6 Ų52.643%0.42625%0.251SS..Hα-helixtrans-64.2-46.1174.5179.866.4000111.4K7 R8 K13 N14K7-H10 WeakPolarHBondContact O-CB 3.36Å; K7-H10 PolarHBondContact O-N 2.56Å; K7-H10 VanDerWaalsContact O-N 3.12Å; R8-H10 VanDerWaalsContact C-N 3.33Å; R8-H10 PolarHBondContact O-N 3.04Å; H10-K13 WeakPolarHBondContact O-CB 3.37Å; H10-K13 PolarHBondContact O-N 3.01Å; H10-N14 PolarHBondContact NE2-ND2 2.81Å; H10-N14 PolarHBondContact O-N 2.84Å; H10-N14 PolarHBondContact O-OD1 3.27Å
11I98.2Very high96.5Very high3 Ų350.9 Ų50.92%0.01524%0.243CC..Hα-helixtrans-61.3-47.6176.5-66.4166.1000110M1 K7 R8 K13 N14 L15 E187 I189 M488M1-I11 HydrophobicContact SD-CG1 4.37Å; K7-I11 HydrophobicContact CB-CD1 4.23Å; K7-I11 WeakPolarHBondContact O-CG1 3.29Å; K7-I11 PolarHBondContact O-N 3.02Å; R8-I11 PolarHBondContact O-N 3.25Å; I11-K13 VanDerWaalsContact C-N 3.29Å; I11-K13 PolarHBondContact O-N 3.3Å; I11-N14 PolarHBondContact O-N 3.02Å; I11-N14 VanDerWaalsContact O-N 3.13Å; I11-L15 HydrophobicContact CG2-CD1 3.84Å; I11-L15 HydrophobicContact CG2-CG 4.07Å; I11-L15 WeakPolarHBondContact O-CB 3.42Å; I11-L15 VanDerWaalsContact O-CG 3.27Å; I11-L15 WeakPolarHBondContact O-CG 3.39Å; I11-L15 PolarHBondContact O-N 2.7Å; I11-E187 HydrophobicContact CG2-CB 4.38Å; I11-I189 HydrophobicContact CG2-CB 4.17Å; I11-I189 HydrophobicContact CG2-CD1 4.37Å; I11-M488 HydrophobicContact CD1-CE 3.63Å
12K98.2Very high97.6Very high3 Ų347.2 Ų47.21%0.01323%0.225CC..Hα-helixtrans-58.1-40.5176.6-73.3-168.1-60.4178.50112.5R8 E9 R16 I189 D212 E217 Y219R8-K12 WeakPolarHBondContact O-CG 3.4Å; R8-K12 PolarHBondContact O-N 3.02Å; E9-K12 VanDerWaalsContact CD-NZ 3.34Å; E9-K12 PolarHBondContact O-N 2.76Å; E9-K12 WeakPolarHBondContact OE1-CE 3.14Å; E9-K12 IonicContact OE1-NZ 3.84Å; E9-K12 PolarHBondContact OE1-NZ 3.39Å; E9-K12 WeakPolarHBondContact OE2-CE 3.24Å; E9-K12 IonicContact OE2-NZ 2.84Å; E9-K12 PolarHBondContact OE2-NZ 3.09Å; K12-R16 VanDerWaalsContact O-CG 3.24Å; K12-R16 WeakPolarHBondContact O-CG 3.38Å; K12-R16 PolarHBondContact O-N 2.9Å; K12-R16 VanDerWaalsContact O-N 3.15Å; K12-I189 HydrophobicContact CD-CD1 4.15Å; K12-I189 HydrophobicContact CG-CD1 3.47Å; K12-I189 VanDerWaalsContact CG-CD1 3.47Å; K12-D212 WeakPolarHBondContact CD-OD2 3.25Å; K12-D212 IonicContact NZ-OD2 2.99Å; K12-D212 PolarHBondContact NZ-OD2 3.11Å; K12-E217 IonicContact NZ-OE2 3.72Å; K12-E217 PolarHBondContact NZ-OE2 3.36Å; K12-Y219 HydrophobicContact CD-CE1 4.31Å
13K98.2Very high98.1Very high130 Ų13045.9 Ų45.957%0.56521%0.214SC*.Hα-helixtrans-60.8-46.1175.9-179-179.7177.1-179.20111.3E9 H10 I11 R16 N17E9-K13 WeakPolarHBondContact O-CB 3.24Å; E9-K13 PolarHBondContact O-N 3.4Å; H10-K13 WeakPolarHBondContact O-CB 3.37Å; H10-K13 PolarHBondContact O-N 3.01Å; I11-K13 VanDerWaalsContact C-N 3.29Å; I11-K13 PolarHBondContact O-N 3.3Å; K13-R16 PolarHBondContact O-N 3.45Å; K13-N17 WeakPolarHBondContact CG-ND2 3.42Å; K13-N17 WeakPolarHBondContact O-CB 3.45Å; K13-N17 VanDerWaalsContact O-CG 3.28Å; K13-N17 PolarHBondContact O-N 2.91Å; K13-N17 PolarHBondContact O-ND2 3.02Å
14N98.5Very high98.2Very high29 Ų2945.7 Ų45.716%0.15521%0.213CC..Hα-helixtrans-68.6-44.3179.6-64.2-4.3000111.2H10 I11 R16 N17 D18 Y20 E187H10-N14 PolarHBondContact NE2-ND2 2.81Å; H10-N14 PolarHBondContact O-N 2.84Å; H10-N14 PolarHBondContact O-OD1 3.27Å; I11-N14 PolarHBondContact O-N 3.02Å; I11-N14 VanDerWaalsContact O-N 3.13Å; N14-R16 PolarHBondContact O-N 3.25Å; N14-R16 VanDerWaalsContact O-N 3.1Å; N14-N17 PolarHBondContact O-N 3.18Å; N14-N17 VanDerWaalsContact O-N 3.15Å; N14-D18 VanDerWaalsContact O-CB 3.25Å; N14-D18 WeakPolarHBondContact O-CB 3.48Å; N14-D18 PolarHBondContact O-N 3.14Å; N14-Y20 PolarHBondContact O-OH 3.06Å; N14-E187 VanDerWaalsContact CB-CD 3.41Å; N14-E187 WeakPolarHBondContact CB-OE1 3.42Å; N14-E187 WeakPolarHBondContact CB-OE2 3.17Å; N14-E187 PolarHBondContact ND2-OE1 2.74Å
15L98.7Very high98.3Very high0 Ų045.7 Ų45.70%021%0.212CC..Hα-helixtrans-54.5-30174.7-71.3179.6000113.7I11 Y20 A46 E187 I189 Y219 I221I11-L15 HydrophobicContact CG2-CD1 3.84Å; I11-L15 HydrophobicContact CG2-CG 4.07Å; I11-L15 WeakPolarHBondContact O-CB 3.42Å; I11-L15 VanDerWaalsContact O-CG 3.27Å; I11-L15 WeakPolarHBondContact O-CG 3.39Å; I11-L15 PolarHBondContact O-N 2.7Å; L15-Y20 HydrophobicContact CD2-CE1 4.48Å; L15-Y20 HydrophobicContact CD2-CE2 4.09Å; L15-Y20 PolarHBondContact N-OH 3.11Å; L15-A46 HydrophobicContact CD2-CB 3.51Å; L15-E187 HydrophobicContact CD2-CB 4.01Å; L15-E187 PolarHBondContact N-OE2 3.43Å; L15-I189 HydrophobicContact CD1-CB 4.37Å; L15-I189 HydrophobicContact CD1-CG2 3.57Å; L15-Y219 HydrophobicContact CB-CE2 4.04Å; L15-Y219 HydrophobicContact CD1-CE2 4.43Å; L15-I221 HydrophobicContact CB-CD1 4.25Å; L15-I221 HydrophobicContact CB-CG1 4.19Å; L15-I221 HydrophobicContact CD1-CD1 4.12Å; L15-I221 HydrophobicContact CD2-CD1 4.18Å; L15-I221 HydrophobicContact CD2-CG2 4.42Å; L15-I221 HydrophobicContact CG-CD1 4.43Å
16R97.9Very high98.3Very high79 Ų7945.6 Ų45.630%0.29821%0.212SC..Hα-helixtrans-80.9-41176.7-72.9170.6-161.7177.512.2114.1K12 K13 N14 E217 Y219K12-R16 VanDerWaalsContact O-CG 3.24Å; K12-R16 WeakPolarHBondContact O-CG 3.38Å; K12-R16 PolarHBondContact O-N 2.9Å; K12-R16 VanDerWaalsContact O-N 3.15Å; K13-R16 PolarHBondContact O-N 3.45Å; N14-R16 PolarHBondContact O-N 3.25Å; N14-R16 VanDerWaalsContact O-N 3.1Å; R16-E217 IonicContact CZ-OE1 2.91Å; R16-E217 IonicContact CZ-OE2 2.69Å; R16-E217 IonicContact NH1-OE1 3.89Å; R16-E217 PolarHBondContact NH1-OE1 3.48Å; R16-E217 IonicContact NH1-OE2 2.79Å; R16-E217 IonicContact NH2-OE1 3.87Å; R16-E217 PolarHBondContact NH2-OE1 3.1Å; R16-E217 IonicContact NH2-OE2 3.02Å; R16-E217 PolarHBondContact NH2-OE2 3.11Å; R16-Y219 HydrophobicContact CG-CD2 3.62Å; R16-Y219 HydrophobicContact CG-CE2 4.4Å; R16-Y219 HydrophobicContact CG-CG 3.84Å
17N98Very high98.3Very high113 Ų11340.2 Ų40.260%0.60419%0.189SC*.Hα-helixtrans-91.8-25.7-167-66.4-32.5000112.1K13 N14K13-N17 WeakPolarHBondContact CG-ND2 3.42Å; K13-N17 WeakPolarHBondContact O-CB 3.45Å; K13-N17 VanDerWaalsContact O-CG 3.28Å; K13-N17 PolarHBondContact O-N 2.91Å; K13-N17 PolarHBondContact O-ND2 3.02Å; N14-N17 PolarHBondContact O-N 3.18Å; N14-N17 VanDerWaalsContact O-N 3.15Å
18D98.3Very high98.4Very high50 Ų5037.1 Ų37.127%0.26718%0.18SC..PPolyproline II helixtrans-97.3152.5-173.3-68.3-2.8000112.3N14 Y20 K44N14-D18 VanDerWaalsContact O-CB 3.25Å; N14-D18 WeakPolarHBondContact O-CB 3.48Å; N14-D18 PolarHBondContact O-N 3.14Å; D18-Y20 HydrophobicContact CB-CE2 3.93Å; D18-K44 VanDerWaalsContact CB-NZ 3.34Å; D18-K44 WeakPolarHBondContact OD2-CE 3.48Å; D18-K44 IonicContact OD2-NZ 3.24Å; D18-K44 PolarHBondContact OD2-NZ 2.73Å
19E98.6Very high98.4Very high107 Ų10737 Ų3750%0.518%0.18SC..EExtended strand (participates in β ladder)trans-100.4131.6164.7-175.2-178-10900109.7K222 K224E19-K222 HydrophobicContact CB-CB 4.35Å; E19-K222 HydrophobicContact CG-CB 4.16Å; E19-K224 IonicContact OE2-NZ 3.59Å
20Y98.9Very high98.5Very high1 Ų132.7 Ų32.70%0.00416%0.162CC..EExtended strand (participates in β ladder)trans-97.5158.5-178.9-66.1-92.5000111.4N14 L15 D18 K44 V45 A46 E187 I221 K222 A223 K224N14-Y20 PolarHBondContact O-OH 3.06Å; L15-Y20 HydrophobicContact CD2-CE1 4.48Å; L15-Y20 HydrophobicContact CD2-CE2 4.09Å; L15-Y20 PolarHBondContact N-OH 3.11Å; D18-Y20 HydrophobicContact CB-CE2 3.93Å; Y20-K44 HydrophobicContact CD1-CD 4.45Å; Y20-K44 HydrophobicContact CD1-CG 3.69Å; Y20-K44 HydrophobicContact CE1-CG 3.97Å; Y20-K44 HydrophobicContact CG-CG 4.47Å; Y20-V45 VanDerWaalsContact CD1-C 3.4Å; Y20-A46 HydrophobicContact CD1-CB 3.63Å; Y20-A46 HydrophobicContact CD2-CB 4.03Å; Y20-A46 HydrophobicContact CE1-CB 3.85Å; Y20-A46 HydrophobicContact CE2-CB 4.24Å; Y20-A46 HydrophobicContact CG-CB 3.77Å; Y20-E187 HydrophobicContact CE1-CB 4.28Å; Y20-E187 HydrophobicContact CE1-CG 4.26Å; Y20-E187 PolarHBondContact OH-OE2 2.93Å; Y20-I221 HydrophobicContact CD2-CG2 3.86Å; Y20-I221 HydrophobicContact CE2-CG2 4.12Å; Y20-K222 WeakPolarHBondContact CD2-O 3.24Å; Y20-K222 PolarHBondContact N-O 2.85Å; Y20-A223 CarbonylContact O-C 3.48Å; Y20-A223 VanDerWaalsContact O-CA 3.26Å; Y20-A223 WeakPolarHBondContact O-CA 3.33Å; Y20-K224 PolarHBondContact O-N 3.44Å
21D98.9Very high98.6Very high16 Ų1628.3 Ų28.39%0.08614%0.141CC..EExtended strand (participates in β ladder)trans-78-36.9166.7-61.4-44.5000110.3M43 K44 K224 K225 L394 L400 F402D21-M43 HydrophobicContact CB-CB 4.29Å; D21-K44 PolarHBondContact N-O 3.44Å; D21-K44 PolarHBondContact OD2-N 2.91Å; D21-K224 IonicContact OD1-NZ 2.73Å; D21-K224 PolarHBondContact OD1-NZ 2.7Å; D21-K225 PolarHBondContact O-N 2.84Å; D21-L394 HydrophobicContact CB-CD1 4.07Å; D21-L400 WeakPolarHBondContact OD1-CD1 2.95Å; D21-F402 HydrophobicContact CB-CZ 4.29Å
22L99Very high98.6Very high0 Ų028.1 Ų28.10%014%0.141CC..EExtended strand (participates in β ladder)trans-141.1131.9-178.8175.662.3000110.9I24 I34 A38 K44 V45 A46 K225 V227 V390L22-I24 HydrophobicContact CD1-CG1 4.45Å; L22-I24 HydrophobicContact CD2-CD1 4.1Å; L22-I24 HydrophobicContact CD2-CG1 3.92Å; L22-I24 HydrophobicContact CG-CG1 3.93Å; L22-I34 HydrophobicContact CD2-CG2 3.99Å; L22-A38 HydrophobicContact CD2-CB 3.87Å; L22-K44 PolarHBondContact N-O 3.39Å; L22-V45 WeakPolarHBondContact O-CA 3.13Å; L22-A46 PolarHBondContact O-N 3.17Å; L22-K225 WeakPolarHBondContact CA-O 3.42Å; L22-K225 HydrophobicContact CD1-CB 4.28Å; L22-V227 HydrophobicContact CD1-CB 4.06Å; L22-V227 HydrophobicContact CD1-CG2 3.57Å; L22-V390 HydrophobicContact CD1-CG1 4.37Å; L22-V390 HydrophobicContact CD1-CG2 4.26Å; L22-V390 HydrophobicContact CD2-CG1 4.41Å
23V98.9Very high98.6Very high0 Ų028.1 Ų28.10%014%0.141CC..EExtended strand (participates in β ladder)trans-112.7134.9161.365.60000110.6A46 V208 I221 A223 K225 V226 V227V23-A46 CarbonylContact C-O 2.88Å; V23-A46 VanDerWaalsContact CA-O 3.29Å; V23-A46 WeakPolarHBondContact CA-O 3.23Å; V23-A46 HydrophobicContact CB-CB 4.18Å; V23-A46 HydrophobicContact CG2-CB 3.88Å; V23-V208 HydrophobicContact CG1-CG1 4.44Å; V23-V208 HydrophobicContact CG1-CG2 4.29Å; V23-V208 HydrophobicContact CG2-CG2 4.07Å; V23-I221 HydrophobicContact CB-CG2 4.49Å; V23-I221 HydrophobicContact CG2-CG2 4.16Å; V23-A223 HydrophobicContact CB-CB 3.83Å; V23-A223 HydrophobicContact CG1-CB 3.54Å; V23-K225 PolarHBondContact N-O 3.04Å; V23-V226 HydrophobicContact CG1-CB 4.15Å; V23-V226 HydrophobicContact CG1-CG1 4.05Å; V23-V226 HydrophobicContact CG1-CG2 3.58Å; V23-V226 WeakPolarHBondContact O-CA 3.15Å; V23-V227 PolarHBondContact O-N 3.13Å
24I99Very high98.7Very high0 Ų022 Ų220%011%0.114CC..EExtended strand (participates in β ladder)trans-112131.1-176.8-55.8159.1000108.7L22 I34 A35 V45 A46 L47 V48 V227 A229L22-I24 HydrophobicContact CD1-CG1 4.45Å; L22-I24 HydrophobicContact CD2-CD1 4.1Å; L22-I24 HydrophobicContact CD2-CG1 3.92Å; L22-I24 HydrophobicContact CG-CG1 3.93Å; I24-I34 HydrophobicContact CD1-CB 3.98Å; I24-I34 HydrophobicContact CD1-CG2 3.5Å; I24-I34 HydrophobicContact CG1-CG2 3.85Å; I24-A35 HydrophobicContact CD1-CB 3.76Å; I24-V45 HydrophobicContact CD1-CG1 3.69Å; I24-V45 HydrophobicContact CG1-CG1 4.49Å; I24-A46 PolarHBondContact N-O 3.4Å; I24-L47 HydrophobicContact CB-CB 4.3Å; I24-L47 HydrophobicContact CB-CD1 4.15Å; I24-L47 HydrophobicContact CB-CG 4.14Å; I24-L47 HydrophobicContact CD1-CD1 4.42Å; I24-L47 HydrophobicContact CG2-CD1 3.97Å; I24-L47 HydrophobicContact CG2-CG 4.31Å; I24-L47 WeakPolarHBondContact O-CA 3.2Å; I24-V48 PolarHBondContact O-N 3.11Å; I24-V227 WeakPolarHBondContact CA-O 3.44Å; I24-A229 HydrophobicContact CG2-CB 4.27Å
25I98.9Very high98.7Very high9 Ų920.6 Ų20.65%0.04611%0.107CC..EExtended strand (participates in β ladder)trans-103.8114.5176.1-53.7169.5000108.5F197 V208 V226 V227 A229 A230 V237I25-F197 HydrophobicContact CD1-CE1 3.74Å; I25-F197 HydrophobicContact CD1-CZ 4.28Å; I25-V208 HydrophobicContact CD1-CG1 3.89Å; I25-V208 HydrophobicContact CG1-CG1 4.38Å; I25-V226 HydrophobicContact CD1-CG1 3.92Å; I25-V226 HydrophobicContact CG1-CG1 4.35Å; I25-V227 PolarHBondContact N-O 2.96Å; I25-A229 CarbonylContact O-C 3.54Å; I25-A229 WeakPolarHBondContact O-CA 3.4Å; I25-A229 PolarHBondContact O-N 3.33Å; I25-A230 HydrophobicContact CG2-CB 4.48Å; I25-A230 PolarHBondContact O-N 2.97Å; I25-V237 HydrophobicContact CD1-CG1 3.78Å; I25-V237 HydrophobicContact CG2-CG1 4.34Å; I25-V237 HydrophobicContact CG2-CG2 4.09Å
26G98.9Very high98.7Very high5 Ų520.9 Ų20.95%0.05211%0.109CC..  trans111.9122.9179.500000112.6G31 V48G26-G31 WeakPolarHBondContact O-CA 3.25Å; G26-V48 PolarHBondContact N-O 3.42Å
27G98.6Very high98.7Very high0 Ų017.1 Ų17.10%010%0.095CC..  trans-103.531.4179.700000113.6E49 A54G27-E49 WeakPolarHBondContact CA-OE2 3.35Å; G27-E49 PolarHBondContact N-OE2 3.1Å; G27-A54 PolarHBondContact O-N 2.83Å
28G98.4Very high98.8Very high16 Ų1611.8 Ų11.817%0.1657%0.066CC..SBendtrans-79.1-179.9163.600000111.9T30 G31 A32G28-T30 PolarHBondContact O-N 3.32Å; G28-T30 VanDerWaalsContact O-N 3.17Å; G28-G31 PolarHBondContact O-N 3.47Å; G28-A32 PolarHBondContact O-N 2.9Å
29I98.3Very high98.8Very high7 Ų79.7 Ų9.74%0.0366%0.055CC..Hα-helixtrans-56.3-36.1-176.3-168.465.2000113.5G33 S58 L173 T174 V177 L376 Y379I29-G33 PolarHBondContact O-N 3.23Å; I29-S58 WeakPolarHBondContact CG2-OG 3.4Å; I29-S58 PolarHBondContact N-OG 2.98Å; I29-L173 HydrophobicContact CD1-CD2 4.22Å; I29-L173 HydrophobicContact CD1-CG 4.01Å; I29-T174 HydrophobicContact CB-CG2 4.45Å; I29-V177 HydrophobicContact CD1-CG2 4.24Å; I29-L376 HydrophobicContact CG1-CG 4.33Å; I29-L376 HydrophobicContact CG2-CB 4.41Å; I29-L376 HydrophobicContact CG2-CG 4.48Å; I29-Y379 HydrophobicContact CD1-CD1 3.98Å; I29-Y379 HydrophobicContact CD1-CD2 4.21Å; I29-Y379 HydrophobicContact CD1-CE1 4.32Å; I29-Y379 HydrophobicContact CD1-CG 3.93Å; I29-Y379 HydrophobicContact CG1-CD1 3.85Å; I29-Y379 HydrophobicContact CG1-CD2 4.2Å; I29-Y379 HydrophobicContact CG1-CG 3.58Å
30T98.5Very high98.8Very high26 Ų266.9 Ų6.916%0.164%0.042CC..Hα-helixtrans-64.3-48.9176.1-53.40000111G28 G33 I34 A229 I371G28-T30 PolarHBondContact O-N 3.32Å; G28-T30 VanDerWaalsContact O-N 3.17Å; T30-G33 PolarHBondContact O-N 2.65Å; T30-I34 HydrophobicContact CG2-CD1 3.93Å; T30-I34 WeakPolarHBondContact O-CD1 3.42Å; T30-I34 WeakPolarHBondContact O-CG1 3.25Å; T30-I34 PolarHBondContact O-N 3.25Å; T30-A229 HydrophobicContact CG2-CB 4.22Å; T30-I371 HydrophobicContact CG2-CD1 4.14Å; T30-I371 HydrophobicContact CG2-CG1 4.38Å; T30-I371 HydrophobicContact CG2-CG2 3.61Å
31G98.8Very high98.8Very high0 Ų07.2 Ų7.20%04%0.043CC..Hα-helixtrans-64.4-40.7177.100000112.9G26 G28 G33 I34 A35 L47G26-G31 WeakPolarHBondContact O-CA 3.25Å; G28-G31 PolarHBondContact O-N 3.47Å; G31-G33 VanDerWaalsContact C-N 3.35Å; G31-G33 PolarHBondContact O-N 2.7Å; G31-I34 PolarHBondContact O-N 2.96Å; G31-A35 WeakPolarHBondContact O-CB 3.49Å; G31-A35 PolarHBondContact O-N 2.68Å; G31-L47 WeakPolarHBondContact O-CD1 3.48Å
32A98.9Very high98.8Very high0 Ų09 Ų90%07%0.066CC..Hα-helixtrans-59.6-45.2174.400000111.6G28 A35 L36 T174 V177 M178G28-A32 PolarHBondContact O-N 2.9Å; A32-A35 PolarHBondContact O-N 3.23Å; A32-L36 WeakPolarHBondContact O-CB 3.18Å; A32-L36 PolarHBondContact O-N 3.35Å; A32-T174 HydrophobicContact CB-CG2 4.17Å; A32-V177 HydrophobicContact CB-CB 4.15Å; A32-V177 HydrophobicContact CB-CG1 3.72Å; A32-V177 WeakPolarHBondContact O-CG1 3.37Å; A32-M178 HydrophobicContact CB-CB 4.36Å; A32-M178 HydrophobicContact CB-CE 3.65Å; A32-M178 HydrophobicContact CB-SD 4.06Å
33G98.9Very high98.8Very high3 Ų39.5 Ų9.53%0.0317%0.068CC..Hα-helixtrans-60.5-45.3175.600000113I29 T30 G31 L36 D37 A383I29-G33 PolarHBondContact O-N 3.23Å; T30-G33 PolarHBondContact O-N 2.65Å; G31-G33 VanDerWaalsContact C-N 3.35Å; G31-G33 PolarHBondContact O-N 2.7Å; G33-L36 PolarHBondContact O-N 3.34Å; G33-D37 PolarHBondContact O-N 2.83Å; G33-A383 WeakPolarHBondContact O-CB 3.24Å
34I98.9Very high98.8Very high0 Ų013.3 Ų13.30%09%0.085CC..Hα-helixtrans-63.9-43.8178.2-64.4161.7000110.1L22 I24 T30 G31 L36 D37 A38 V227 A229 I371 A383 I386 V387L22-I34 HydrophobicContact CD2-CG2 3.99Å; I24-I34 HydrophobicContact CD1-CB 3.98Å; I24-I34 HydrophobicContact CD1-CG2 3.5Å; I24-I34 HydrophobicContact CG1-CG2 3.85Å; T30-I34 HydrophobicContact CG2-CD1 3.93Å; T30-I34 WeakPolarHBondContact O-CD1 3.42Å; T30-I34 WeakPolarHBondContact O-CG1 3.25Å; T30-I34 PolarHBondContact O-N 3.25Å; G31-I34 PolarHBondContact O-N 2.96Å; I34-L36 VanDerWaalsContact C-N 3.33Å; I34-L36 PolarHBondContact O-N 3.13Å; I34-D37 PolarHBondContact O-N 3.49Å; I34-A38 WeakPolarHBondContact O-CB 3.35Å; I34-A38 PolarHBondContact O-N 3.28Å; I34-V227 HydrophobicContact CD1-CG1 3.93Å; I34-A229 HydrophobicContact CD1-CB 3.99Å; I34-I371 HydrophobicContact CD1-CG2 3.98Å; I34-A383 HydrophobicContact CG1-CB 4.07Å; I34-I386 HydrophobicContact CD1-CG2 3.72Å; I34-I386 HydrophobicContact CG1-CG2 3.6Å; I34-I386 HydrophobicContact CG2-CG2 4.46Å; I34-V387 HydrophobicContact CB-CG2 4.41Å; I34-V387 HydrophobicContact CG2-CG2 3.76Å
35A99Very high98.8Very high0 Ų013.4 Ų13.40%09%0.085CC..Hα-helixtrans-61.6-43.7177.800000111.2I24 G31 A32 S39 V45 L47 A181I24-A35 HydrophobicContact CD1-CB 3.76Å; G31-A35 WeakPolarHBondContact O-CB 3.49Å; G31-A35 PolarHBondContact O-N 2.68Å; A32-A35 PolarHBondContact O-N 3.23Å; A35-S39 VanDerWaalsContact O-CB 3.27Å; A35-S39 WeakPolarHBondContact O-CB 2.99Å; A35-S39 PolarHBondContact O-N 3.47Å; A35-S39 PolarHBondContact O-OG 3.25Å; A35-V45 HydrophobicContact CB-CG1 4.33Å; A35-L47 HydrophobicContact CB-CD1 3.96Å; A35-A181 HydrophobicContact CB-CB 3.9Å
36L98.9Very high98.8Very high6 Ų613 Ų133%0.0318%0.083CC..Hα-helixtrans-62.6-51.9177.2175.755.5000111.9A32 G33 I34 S39 E40 V177 R180 A181 K184 T407 L410A32-L36 WeakPolarHBondContact O-CB 3.18Å; A32-L36 PolarHBondContact O-N 3.35Å; G33-L36 PolarHBondContact O-N 3.34Å; I34-L36 VanDerWaalsContact C-N 3.33Å; I34-L36 PolarHBondContact O-N 3.13Å; L36-S39 PolarHBondContact O-OG 3.2Å; L36-E40 VanDerWaalsContact O-CB 3.24Å; L36-E40 WeakPolarHBondContact O-CB 3.43Å; L36-E40 PolarHBondContact O-N 3.13Å; L36-V177 HydrophobicContact CB-CG1 4.16Å; L36-V177 HydrophobicContact CD2-CG1 3.95Å; L36-R180 HydrophobicContact CD1-CB 4.01Å; L36-R180 HydrophobicContact CD1-CG 3.5Å; L36-R180 VanDerWaalsContact CD1-CG 3.5Å; L36-R180 HydrophobicContact CD2-CG 4.34Å; L36-A181 HydrophobicContact CB-CB 4.02Å; L36-K184 HydrophobicContact CD1-CG 4.41Å; L36-T407 HydrophobicContact CG-CG2 4.35Å; L36-L410 HydrophobicContact CD1-CD2 3.82Å; L36-L410 HydrophobicContact CG-CD2 4.42Å
37D98.9Very high98.8Very high1 Ų112.7 Ų12.71%0.0058%0.081CC..Hα-helixtrans-66.2-44-178-175.736.2000111.9G33 I34 E40 R41 A383 Q384 V387 C405 T407G33-D37 PolarHBondContact O-N 2.83Å; I34-D37 PolarHBondContact O-N 3.49Å; D37-E40 PolarHBondContact O-N 3.42Å; D37-R41 WeakPolarHBondContact O-CD 3.48Å; D37-R41 WeakPolarHBondContact O-CG 3.38Å; D37-R41 PolarHBondContact O-N 3.21Å; D37-R41 VanDerWaalsContact O-N 3.09Å; D37-R41 IonicContact OD1-CZ 2.67Å; D37-R41 IonicContact OD1-NE 2.68Å; D37-R41 PolarHBondContact OD1-NE 2.88Å; D37-R41 IonicContact OD1-NH2 3.94Å; D37-R41 IonicContact OD2-CZ 3.68Å; D37-R41 VanDerWaalsContact OD2-CZ 3.25Å; D37-R41 IonicContact OD2-NE 2.89Å; D37-R41 PolarHBondContact OD2-NE 2.87Å; D37-R41 IonicContact OD2-NH2 3.39Å; D37-R41 PolarHBondContact OD2-NH2 3.4Å; D37-A383 HydrophobicContact CB-CB 4.33Å; D37-Q384 WeakPolarHBondContact OD2-CA 3.34Å; D37-V387 HydrophobicContact CB-CG2 4.29Å; D37-V387 WeakPolarHBondContact OD2-CB 3.42Å; D37-C405 PolarHBondContact OD1-SG 3.45Å; D37-T407 HydrophobicContact CB-CG2 3.85Å
38A99Very high98.8Very high0 Ų012.8 Ų12.80%08%0.081CC..Hα-helixtrans-63.3-44.6178.600000112.4L22 I34 R41 G42 M43 V45 V387L22-A38 HydrophobicContact CD2-CB 3.87Å; I34-A38 WeakPolarHBondContact O-CB 3.35Å; I34-A38 PolarHBondContact O-N 3.28Å; A38-R41 PolarHBondContact O-N 3.45Å; A38-G42 PolarHBondContact O-N 3.47Å; A38-M43 HydrophobicContact CB-CB 4.31Å; A38-M43 HydrophobicContact CB-CG 4.42Å; A38-M43 HydrophobicContact CB-SD 3.72Å; A38-M43 VanDerWaalsContact O-CB 3.26Å; A38-M43 WeakPolarHBondContact O-CB 3.18Å; A38-M43 WeakPolarHBondContact O-CG 3.39Å; A38-M43 PolarHBondContact O-N 2.94Å; A38-V45 HydrophobicContact CB-CG2 3.52Å; A38-V387 HydrophobicContact CB-CG1 4.1Å; A38-V387 HydrophobicContact CB-CG2 4.18Å
39S98.8Very high98.8Very high7 Ų712.9 Ų12.95%0.0498%0.078CC..Hα-helixtrans-68.1-39.8177.856.70000112.5A35 L36 R41 G42 K184A35-S39 VanDerWaalsContact O-CB 3.27Å; A35-S39 WeakPolarHBondContact O-CB 2.99Å; A35-S39 PolarHBondContact O-N 3.47Å; A35-S39 PolarHBondContact O-OG 3.25Å; L36-S39 PolarHBondContact O-OG 3.2Å; S39-R41 PolarHBondContact O-N 3.44Å; S39-G42 PolarHBondContact O-N 2.92Å; S39-K184 WeakPolarHBondContact OG-CB 3.48Å
40E98.7Very high98.8Very high47 Ų4714.9 Ų14.922%0.229%0.087CC..Hα-helixtrans-60.1-33.6174.4176.560.5-170.600112.4L36 D37 G42 K184 L410L36-E40 VanDerWaalsContact O-CB 3.24Å; L36-E40 WeakPolarHBondContact O-CB 3.43Å; L36-E40 PolarHBondContact O-N 3.13Å; D37-E40 PolarHBondContact O-N 3.42Å; E40-G42 PolarHBondContact O-N 2.83Å; E40-K184 IonicContact OE1-NZ 3.22Å; E40-K184 WeakPolarHBondContact OE2-CD 3.48Å; E40-K184 WeakPolarHBondContact OE2-CE 3.38Å; E40-K184 IonicContact OE2-NZ 2.69Å; E40-K184 PolarHBondContact OE2-NZ 2.72Å; E40-L410 HydrophobicContact CB-CD2 4.37Å; E40-L410 HydrophobicContact CG-CD2 4.06Å
41R98.6Very high98.8Very high8 Ų814.7 Ų14.73%0.039%0.085CC..THydrogen-bonded Turntrans-76.1-6.9176.2-65.7170.5-172.4-139.224113.8D37 A38 S39 Q384 D388 F402 S403D37-R41 WeakPolarHBondContact O-CD 3.48Å; D37-R41 WeakPolarHBondContact O-CG 3.38Å; D37-R41 PolarHBondContact O-N 3.21Å; D37-R41 VanDerWaalsContact O-N 3.09Å; D37-R41 IonicContact OD1-CZ 2.67Å; D37-R41 IonicContact OD1-NE 2.68Å; D37-R41 PolarHBondContact OD1-NE 2.88Å; D37-R41 IonicContact OD1-NH2 3.94Å; D37-R41 IonicContact OD2-CZ 3.68Å; D37-R41 VanDerWaalsContact OD2-CZ 3.25Å; D37-R41 IonicContact OD2-NE 2.89Å; D37-R41 PolarHBondContact OD2-NE 2.87Å; D37-R41 IonicContact OD2-NH2 3.39Å; D37-R41 PolarHBondContact OD2-NH2 3.4Å; A38-R41 PolarHBondContact O-N 3.45Å; S39-R41 PolarHBondContact O-N 3.44Å; R41-Q384 PolarHBondContact NH2-O 3.16Å; R41-D388 IonicContact CZ-OD1 2.83Å; R41-D388 IonicContact NH1-OD1 3.19Å; R41-D388 PolarHBondContact NH1-OD1 2.99Å; R41-D388 IonicContact NH2-OD1 3.96Å; R41-D388 PolarHBondContact NH2-OD1 2.92Å; R41-F402 HydrophobicContact CB-CB 4.24Å; R41-S403 WeakPolarHBondContact CD-O 3.31Å; R41-S403 VanDerWaalsContact CG-O 3.22Å; R41-S403 WeakPolarHBondContact CG-O 3.33Å; R41-S403 PolarHBondContact O-N 3.19Å
42G98.6Very high98.8Very high55 Ų5514.7 Ų14.757%0.5679%0.085SC*.THydrogen-bonded Turntrans92.616-179.800000115A38 S39 E40A38-G42 PolarHBondContact O-N 3.47Å; S39-G42 PolarHBondContact O-N 2.92Å; E40-G42 PolarHBondContact O-N 2.83Å
43M98.8Very high98.8Very high9 Ų914.7 Ų14.74%0.0449%0.085CC..  trans-74.5146.3173.3-57.4-178.4-17100110.7D21 A38 V45 V387 V390 L394 F402D21-M43 HydrophobicContact CB-CB 4.29Å; A38-M43 HydrophobicContact CB-CB 4.31Å; A38-M43 HydrophobicContact CB-CG 4.42Å; A38-M43 HydrophobicContact CB-SD 3.72Å; A38-M43 VanDerWaalsContact O-CB 3.26Å; A38-M43 WeakPolarHBondContact O-CB 3.18Å; A38-M43 WeakPolarHBondContact O-CG 3.39Å; A38-M43 PolarHBondContact O-N 2.94Å; M43-V45 HydrophobicContact CB-CG2 3.91Å; M43-V45 PolarHBondContact O-N 3.15Å; M43-V387 HydrophobicContact CE-CG1 3.63Å; M43-V387 HydrophobicContact SD-CG1 4.22Å; M43-V390 HydrophobicContact CE-CG1 4.49Å; M43-V390 HydrophobicContact SD-CG1 4.2Å; M43-L394 HydrophobicContact SD-CD1 4.26Å; M43-F402 HydrophobicContact CB-CD1 4.38Å; M43-F402 HydrophobicContact CB-CE1 4.12Å; M43-F402 HydrophobicContact CB-CZ 4.42Å; M43-F402 HydrophobicContact CE-CB 4.15Å; M43-F402 HydrophobicContact CE-CD2 3.84Å; M43-F402 HydrophobicContact CE-CE2 4.49Å; M43-F402 HydrophobicContact CE-CG 4.01Å; M43-F402 HydrophobicContact CG-CB 4.49Å; M43-F402 HydrophobicContact CG-CD1 3.6Å; M43-F402 HydrophobicContact CG-CD2 3.96Å; M43-F402 HydrophobicContact CG-CE1 3.69Å; M43-F402 HydrophobicContact CG-CE2 4.04Å; M43-F402 HydrophobicContact CG-CG 3.74Å; M43-F402 HydrophobicContact CG-CZ 3.9Å
44K98.8Very high98.7Very high81 Ų8114.6 Ų14.635%0.3528%0.084SC..  trans-79.8109.6166.2-168.9169.6-179.7170.60109.4D18 Y20 D21 L22D18-K44 VanDerWaalsContact CB-NZ 3.34Å; D18-K44 WeakPolarHBondContact OD2-CE 3.48Å; D18-K44 IonicContact OD2-NZ 3.24Å; D18-K44 PolarHBondContact OD2-NZ 2.73Å; Y20-K44 HydrophobicContact CD1-CD 4.45Å; Y20-K44 HydrophobicContact CD1-CG 3.69Å; Y20-K44 HydrophobicContact CE1-CG 3.97Å; Y20-K44 HydrophobicContact CG-CG 4.47Å; D21-K44 PolarHBondContact N-O 3.44Å; D21-K44 PolarHBondContact OD2-N 2.91Å; L22-K44 PolarHBondContact N-O 3.39Å
45V99Very high98.7Very high1 Ų116.5 Ų16.51%0.0069%0.092CC..EExtended strand (participates in β ladder)trans-114.9133.9-168.9179.80000111.9Y20 L22 I24 A35 A38 M43 A186 E187Y20-V45 VanDerWaalsContact CD1-C 3.4Å; L22-V45 WeakPolarHBondContact O-CA 3.13Å; I24-V45 HydrophobicContact CD1-CG1 3.69Å; I24-V45 HydrophobicContact CG1-CG1 4.49Å; A35-V45 HydrophobicContact CB-CG1 4.33Å; A38-V45 HydrophobicContact CB-CG2 3.52Å; M43-V45 HydrophobicContact CB-CG2 3.91Å; M43-V45 PolarHBondContact O-N 3.15Å; V45-A186 HydrophobicContact CB-CB 4.06Å; V45-A186 HydrophobicContact CG1-CB 4.18Å; V45-E187 PolarHBondContact O-N 2.8Å
46A98.9Very high98.5Very high0 Ų017 Ų170%010%0.098CC..EExtended strand (participates in β ladder)trans-112.6143.9164.400000110.5L15 Y20 L22 V23 I24 E187 I221L15-A46 HydrophobicContact CD2-CB 3.51Å; Y20-A46 HydrophobicContact CD1-CB 3.63Å; Y20-A46 HydrophobicContact CD2-CB 4.03Å; Y20-A46 HydrophobicContact CE1-CB 3.85Å; Y20-A46 HydrophobicContact CE2-CB 4.24Å; Y20-A46 HydrophobicContact CG-CB 3.77Å; L22-A46 PolarHBondContact O-N 3.17Å; V23-A46 CarbonylContact C-O 2.88Å; V23-A46 VanDerWaalsContact CA-O 3.29Å; V23-A46 WeakPolarHBondContact CA-O 3.23Å; V23-A46 HydrophobicContact CB-CB 4.18Å; V23-A46 HydrophobicContact CG2-CB 3.88Å; I24-A46 PolarHBondContact N-O 3.4Å; A46-E187 CarbonylContact C-O 3.58Å; A46-E187 VanDerWaalsContact CA-O 3.26Å; A46-E187 WeakPolarHBondContact CA-O 3.26Å; A46-I221 HydrophobicContact CB-CG2 4.13Å
47L98.9Very high98.4Very high0 Ų018.7 Ų18.70%011%0.109CC..EExtended strand (participates in β ladder)trans-133132.7170.4-175.1151.6000110.5I24 G31 A35 E49 F53 M178 E187 I188 I189I24-L47 HydrophobicContact CB-CB 4.3Å; I24-L47 HydrophobicContact CB-CD1 4.15Å; I24-L47 HydrophobicContact CB-CG 4.14Å; I24-L47 HydrophobicContact CD1-CD1 4.42Å; I24-L47 HydrophobicContact CG2-CD1 3.97Å; I24-L47 HydrophobicContact CG2-CG 4.31Å; I24-L47 WeakPolarHBondContact O-CA 3.2Å; G31-L47 WeakPolarHBondContact O-CD1 3.48Å; A35-L47 HydrophobicContact CB-CD1 3.96Å; L47-E49 HydrophobicContact CD2-CB 4.46Å; L47-F53 HydrophobicContact CD2-CE1 4.22Å; L47-M178 HydrophobicContact CD1-CE 4.02Å; L47-M178 HydrophobicContact CD1-SD 4Å; L47-M178 HydrophobicContact CD2-CE 4.11Å; L47-M178 HydrophobicContact CD2-SD 4.38Å; L47-E187 PolarHBondContact N-O 2.67Å; L47-I188 HydrophobicContact CB-CG1 4.33Å; L47-I188 HydrophobicContact CB-CG2 4.15Å; L47-I188 HydrophobicContact CD2-CG2 3.79Å; L47-I188 HydrophobicContact CG-CG2 4.44Å; L47-I189 PolarHBondContact O-N 2.84Å
48V98.9Very high98.3Very high2 Ų219.3 Ų19.31%0.01211%0.113CC..EExtended strand (participates in β ladder)trans-121.6133.4174.6-61.30000111.2I24 G26 I189 T192 V210 I221I24-V48 PolarHBondContact O-N 3.11Å; G26-V48 PolarHBondContact N-O 3.42Å; V48-I189 HydrophobicContact CG1-CG2 3.98Å; V48-T192 HydrophobicContact CB-CG2 4.05Å; V48-T192 HydrophobicContact CG1-CG2 3.8Å; V48-V210 HydrophobicContact CG1-CG1 4.34Å; V48-V210 HydrophobicContact CG2-CG1 4.35Å; V48-I221 HydrophobicContact CG1-CD1 3.48Å; V48-I221 VanDerWaalsContact CG1-CD1 3.48Å
49E98.9Very high98.1Very high18 Ų1819.6 Ų19.68%0.08412%0.115CC..  trans-124.1128.7174.817148.9-108.600109.3G27 L47 Q51 F53 I189 N190 Y191 T192G27-E49 WeakPolarHBondContact CA-OE2 3.35Å; G27-E49 PolarHBondContact N-OE2 3.1Å; L47-E49 HydrophobicContact CD2-CB 4.46Å; E49-Q51 VanDerWaalsContact C-N 3.34Å; E49-Q51 WeakPolarHBondContact CG-O 3.41Å; E49-Q51 WeakPolarHBondContact OE1-CB 3.09Å; E49-Q51 PolarHBondContact OE1-N 3.11Å; E49-F53 HydrophobicContact CB-CD1 4.06Å; E49-F53 HydrophobicContact CB-CE1 4.14Å; E49-F53 HydrophobicContact CG-CD1 4.29Å; E49-I189 PolarHBondContact N-O 3.41Å; E49-N190 CarbonylContact O-C 3.52Å; E49-N190 VanDerWaalsContact O-C 3.3Å; E49-N190 WeakPolarHBondContact O-CA 3.48Å; E49-Y191 CarbonylContact O-C 3.59Å; E49-Y191 WeakPolarHBondContact O-CA 3.47Å; E49-Y191 PolarHBondContact O-N 3.31Å; E49-T192 CarbonylContact C-O 3.58Å; E49-T192 CarbonylContact O-C 3.56Å; E49-T192 PolarHBondContact O-N 3.49Å
50M98.4Very high98Very high49 Ų4920.7 Ų20.724%0.24112%0.118CC..SBendtrans-73.9-26.1-17566.2169.4-167.500114T192 K193 W233M50-T192 PolarHBondContact N-O 3.19Å; M50-K193 HydrophobicContact CB-CB 3.56Å; M50-K193 HydrophobicContact CB-CD 4.49Å; M50-K193 HydrophobicContact CB-CG 3.75Å; M50-K193 HydrophobicContact SD-CG 4.46Å; M50-W233 HydrophobicContact CE-CD2 3.64Å; M50-W233 HydrophobicContact CE-CE3 4.22Å; M50-W233 HydrophobicContact CE-CG 4.01Å; M50-W233 HydrophobicContact CE-CH2 4.19Å; M50-W233 HydrophobicContact CE-CZ2 3.56Å; M50-W233 HydrophobicContact CE-CZ3 4.48Å
51Q98.1Very high97.8Very high22 Ų2219.7 Ų19.710%0.10312%0.116CC..SBendtrans-105.9-154.6177.5-82.8175.1126.400108.4E49 Q55 N190 Y191E49-Q51 VanDerWaalsContact C-N 3.34Å; E49-Q51 WeakPolarHBondContact CG-O 3.41Å; E49-Q51 WeakPolarHBondContact OE1-CB 3.09Å; E49-Q51 PolarHBondContact OE1-N 3.11Å; Q51-Q55 HydrophobicContact CB-CB 4.06Å; Q51-Q55 HydrophobicContact CB-CG 4.34Å; Q51-Q55 VanDerWaalsContact CB-OE1 3.27Å; Q51-N190 WeakPolarHBondContact O-CB 3.37Å; Q51-Y191 PolarHBondContact O-N 3.19Å
52D98.6Very high97.6Very high0 Ų020.3 Ų20.30%012%0.121CC..SBendtrans-84.4161161.4178.338.1000112A54 Q55 N190 Y191 D494 R498 R499D52-A54 PolarHBondContact O-N 3.28Å; D52-Q55 HydrophobicContact CB-CB 4.47Å; D52-Q55 WeakPolarHBondContact O-CB 3.21Å; D52-Q55 PolarHBondContact O-N 2.71Å; D52-Q55 VanDerWaalsContact O-N 3.16Å; D52-N190 PolarHBondContact OD1-ND2 2.81Å; D52-Y191 HydrophobicContact CB-CE2 4.07Å; D52-D494 WeakPolarHBondContact CB-OD1 3.03Å; D52-D494 VanDerWaalsContact OD2-CB 3.3Å; D52-D494 WeakPolarHBondContact OD2-CB 3.43Å; D52-D494 VanDerWaalsContact OD2-CG 3.31Å; D52-D494 VanDerWaalsContact OD2-OD1 3.09Å; D52-R498 VanDerWaalsContact CB-NH2 3.35Å; D52-R498 IonicContact OD2-CZ 2.67Å; D52-R498 VanDerWaalsContact OD2-CZ 3.24Å; D52-R498 IonicContact OD2-NE 2.85Å; D52-R498 PolarHBondContact OD2-NE 3.02Å; D52-R498 IonicContact OD2-NH2 3.28Å; D52-R498 PolarHBondContact OD2-NH2 3.21Å; D52-R499 VanDerWaalsContact CG-NH1 3.35Å; D52-R499 IonicContact OD1-CZ 2.87Å; D52-R499 IonicContact OD1-NH1 3.05Å; D52-R499 PolarHBondContact OD1-NH1 3.34Å; D52-R499 IonicContact OD1-NH2 2.84Å; D52-R499 PolarHBondContact OD1-NH2 2.89Å; D52-R499 IonicContact OD2-CZ 2.64Å; D52-R499 IonicContact OD2-NH1 3.34Å; D52-R499 PolarHBondContact OD2-NH1 2.8Å; D52-R499 IonicContact OD2-NH2 3.18Å
53F98.8Very high97.5Very high0 Ų017.9 Ų17.90%010%0.095CC..THydrogen-bonded Turntrans-56.8140178.1-58.7-49.6000111.1L3 L47 E49 Q55 I175 M178 I188 N190 M488 R498L3-F53 HydrophobicContact CD1-CE2 4.18Å; L3-F53 HydrophobicContact CD1-CZ 4.33Å; L3-F53 HydrophobicContact CD2-CD2 4.26Å; L3-F53 HydrophobicContact CD2-CE2 3.83Å; L3-F53 HydrophobicContact CG-CE2 4.21Å; L47-F53 HydrophobicContact CD2-CE1 4.22Å; E49-F53 HydrophobicContact CB-CD1 4.06Å; E49-F53 HydrophobicContact CB-CE1 4.14Å; E49-F53 HydrophobicContact CG-CD1 4.29Å; F53-Q55 PolarHBondContact O-N 3.32Å; F53-I175 HydrophobicContact CB-CD1 3.47Å; F53-I175 VanDerWaalsContact CB-CD1 3.47Å; F53-I175 HydrophobicContact CD2-CD1 4.1Å; F53-I175 HydrophobicContact CG-CD1 4.23Å; F53-M178 HydrophobicContact CD1-CE 3.85Å; F53-M178 HydrophobicContact CE1-CE 4.24Å; F53-M178 HydrophobicContact CG-CE 4.42Å; F53-I188 HydrophobicContact CE1-CG2 3.56Å; F53-I188 HydrophobicContact CE2-CG2 4.46Å; F53-I188 HydrophobicContact CZ-CG2 3.46Å; F53-I188 VanDerWaalsContact CZ-CG2 3.46Å; F53-N190 HydrophobicContact CD1-CB 3.99Å; F53-N190 HydrophobicContact CD2-CB 4.21Å; F53-N190 HydrophobicContact CE1-CB 3.7Å; F53-N190 HydrophobicContact CE2-CB 3.94Å; F53-N190 HydrophobicContact CG-CB 4.23Å; F53-N190 HydrophobicContact CZ-CB 3.67Å; F53-M488 HydrophobicContact CE2-CB 3.99Å; F53-M488 HydrophobicContact CE2-CG 4.47Å; F53-M488 HydrophobicContact CE2-SD 4.08Å; F53-M488 HydrophobicContact CZ-SD 4.08Å; F53-R498 WeakPolarHBondContact O-CD 3.4Å
54A98.2Very high97.2Very high1 Ų118.1 Ų18.11%0.00810%0.096CC..THydrogen-bonded Turntrans59.72.2-175.500000117.1G27 D52 G56 S58 S59 A171 T174G27-A54 PolarHBondContact O-N 2.83Å; D52-A54 PolarHBondContact O-N 3.28Å; A54-G56 PolarHBondContact O-N 3.38Å; A54-G56 VanDerWaalsContact O-N 3.14Å; A54-S58 CarbonylContact O-C 3.57Å; A54-S59 WeakPolarHBondContact O-CB 3.13Å; A54-S59 PolarHBondContact O-N 2.93Å; A54-S59 PolarHBondContact O-OG 3.39Å; A54-A171 HydrophobicContact CB-CB 4.4Å; A54-T174 HydrophobicContact CB-CG2 3.78Å
55Q97.7Very high96.7Very high39 Ų3914.2 Ų14.218%0.1828%0.079CC..THydrogen-bonded Turntrans-64.1-22.5-173.4-173166.313.100114.6Q51 D52 F53 R60Q51-Q55 HydrophobicContact CB-CB 4.06Å; Q51-Q55 HydrophobicContact CB-CG 4.34Å; Q51-Q55 VanDerWaalsContact CB-OE1 3.27Å; D52-Q55 HydrophobicContact CB-CB 4.47Å; D52-Q55 WeakPolarHBondContact O-CB 3.21Å; D52-Q55 PolarHBondContact O-N 2.71Å; D52-Q55 VanDerWaalsContact O-N 3.16Å; F53-Q55 PolarHBondContact O-N 3.32Å; Q55-R60 PolarHBondContact O-NH1 2.83Å
56G95.8Very high95.9Very high12 Ų1215.4 Ų15.412%0.1248%0.084CC..THydrogen-bonded Turntrans-72.4-134.6169.400000112.8A54 S58 R60A54-G56 PolarHBondContact O-N 3.38Å; A54-G56 VanDerWaalsContact O-N 3.14Å; G56-S58 VanDerWaalsContact C-N 3.26Å; G56-S58 PolarHBondContact O-N 3.21Å; G56-R60 WeakPolarHBondContact O-CD 3.41Å
57T95.5Very high94.5Very high41 Ų4115.4 Ų15.425%0.2528%0.084SC..G310 helixtrans-61.5-31.2-176.7-48.90000113.7S59 R60 P232 I341T57-S59 VanDerWaalsContact C-N 3.26Å; T57-S59 PolarHBondContact O-N 2.86Å; T57-R60 PolarHBondContact O-N 2.86Å; T57-R60 VanDerWaalsContact O-N 3.08Å; T57-P232 WeakPolarHBondContact OG1-CD 3.5Å; T57-P232 WeakPolarHBondContact OG1-CG 3.24Å; T57-I341 WeakPolarHBondContact CB-O 3.31Å; T57-I341 WeakPolarHBondContact CG2-O 3.44Å; T57-I341 PolarHBondContact OG1-O 3.03Å
58S96.5Very high93.3Very high14 Ų1415.4 Ų15.410%0.0988%0.084CC..G310 helixtrans-72.9-6.5-168.5-58.80000115.8I29 A54 G56 D170 A171I29-S58 WeakPolarHBondContact CG2-OG 3.4Å; I29-S58 PolarHBondContact N-OG 2.98Å; A54-S58 CarbonylContact O-C 3.57Å; G56-S58 VanDerWaalsContact C-N 3.26Å; G56-S58 PolarHBondContact O-N 3.21Å; S58-D170 CarbonylContact O-C 3.46Å; S58-D170 WeakPolarHBondContact O-CB 3.46Å; S58-A171 PolarHBondContact O-N 2.54Å
59S96.4Very high92Very high5 Ų516.3 Ų16.34%0.0359%0.089CC..G310 helixtrans-114.22.1170.4580000113.1A54 T57 K63 D170A54-S59 WeakPolarHBondContact O-CB 3.13Å; A54-S59 PolarHBondContact O-N 2.93Å; A54-S59 PolarHBondContact O-OG 3.39Å; T57-S59 VanDerWaalsContact C-N 3.26Å; T57-S59 PolarHBondContact O-N 2.86Å; S59-K63 PolarHBondContact O-NZ 2.96Å; S59-D170 WeakPolarHBondContact CA-OD1 3.38Å
60R95.8Very high90.7Very high30 Ų3018.3 Ų18.311%0.11310%0.096CC..SBendtrans-122.931.9-170.9-68.6161.2162.4172.8-2.4111.9Q55 G56 T57 D170 S304 A339Q55-R60 PolarHBondContact O-NH1 2.83Å; G56-R60 WeakPolarHBondContact O-CD 3.41Å; T57-R60 PolarHBondContact O-N 2.86Å; T57-R60 VanDerWaalsContact O-N 3.08Å; R60-D170 PolarHBondContact N-OD2 2.73Å; R60-S304 PolarHBondContact NH1-O 3.3Å; R60-S304 VanDerWaalsContact NH1-O 3.12Å; R60-S304 PolarHBondContact NH2-O 3.21Å; R60-A339 WeakPolarHBondContact CD-O 3.38Å; R60-A339 WeakPolarHBondContact CG-O 3.49Å; R60-A339 PolarHBondContact NE-O 2.59Å
61S94.4Very high89.1Confident26 Ų2617.2 Ų17.218%0.1829%0.089CC..SBendtrans-91.5178.6174.480.10000112.3K63 D170 W338S61-K63 PolarHBondContact O-N 2.97Å; S61-K63 VanDerWaalsContact O-N 3.07Å; S61-K63 PolarHBondContact O-NZ 3.13Å; S61-K63 VanDerWaalsContact O-NZ 3.11Å; S61-K63 PolarHBondContact OG-N 2.66Å; S61-D170 VanDerWaalsContact CB-OD2 3.24Å; S61-D170 WeakPolarHBondContact CB-OD2 3.4Å; S61-D170 PolarHBondContact N-OD2 3.4Å; S61-D170 PolarHBondContact OG-OD2 3.12Å; S61-W338 PolarHBondContact O-NE1 2.72Å
62T94.6Very high87.6Confident21 Ų2117.3 Ų17.313%0.1299%0.09CC..  trans-67.65.1169-47.10000113.4L64 H256 F282 I284 Y291T62-L64 HydrophobicContact CG2-CD1 3.94Å; T62-L64 HydrophobicContact CG2-CG 4.15Å; T62-L64 PolarHBondContact O-N 2.93Å; T62-H256 WeakPolarHBondContact CA-NE2 3.49Å; T62-H256 WeakPolarHBondContact CB-NE2 3.49Å; T62-H256 WeakPolarHBondContact CG2-NE2 3.27Å; T62-H256 PolarHBondContact OG1-CE1 2.75Å; T62-H256 PolarHBondContact OG1-NE2 2.84Å; T62-F282 HydrophobicContact CG2-CB 4.15Å; T62-F282 HydrophobicContact CG2-CD2 3.88Å; T62-F282 HydrophobicContact CG2-CG 4.14Å; T62-I284 HydrophobicContact CG2-CD1 4.17Å; T62-Y291 HydrophobicContact CG2-CE2 4.28Å; T62-Y291 VanDerWaalsContact O-CE2 3.25Å; T62-Y291 WeakPolarHBondContact O-CE2 3.24Å; T62-Y291 PolarHBondContact O-OH 3.4Å
63K95.5Very high86.2Confident5 Ų523.8 Ų23.82%0.02212%0.118CC..SBendtrans61.336-179.2-50.9-67.8176.1-85.90111.7S59 S61 R167 T168 D170 W338 F505S59-K63 PolarHBondContact O-NZ 2.96Å; S61-K63 PolarHBondContact O-N 2.97Å; S61-K63 VanDerWaalsContact O-N 3.07Å; S61-K63 PolarHBondContact O-NZ 3.13Å; S61-K63 VanDerWaalsContact O-NZ 3.11Å; S61-K63 PolarHBondContact OG-N 2.66Å; K63-R167 WeakPolarHBondContact O-CA 3.38Å; K63-R167 VanDerWaalsContact O-CG 3.31Å; K63-R167 WeakPolarHBondContact O-CG 3.47Å; K63-T168 CarbonylContact C-O 3.3Å; K63-T168 VanDerWaalsContact CB-O 3.3Å; K63-T168 WeakPolarHBondContact CB-O 3.46Å; K63-T168 PolarHBondContact O-N 2.76Å; K63-T168 VanDerWaalsContact O-O 3.12Å; K63-D170 HydrophobicContact CD-CB 4.39Å; K63-D170 WeakPolarHBondContact CD-OD1 3.19Å; K63-D170 WeakPolarHBondContact CE-OD1 3.46Å; K63-D170 VanDerWaalsContact NZ-CG 3.33Å; K63-D170 IonicContact NZ-OD1 2.89Å; K63-D170 PolarHBondContact NZ-OD1 2.75Å; K63-D170 IonicContact NZ-OD2 3.85Å; K63-D170 PolarHBondContact NZ-OD2 2.86Å; K63-W338 HydrophobicContact CG-CZ2 4.37Å; K63-F505 HydrophobicContact CG-CZ 4.48Å
64L93.4Very high84.8Confident13 Ų1326.9 Ų26.97%0.06813%0.133CC..BIsolated β-bridgetrans-126.4139.4179.7-67.2179.9000111.3T62 H66 Y166 R167 F282 I284T62-L64 HydrophobicContact CG2-CD1 3.94Å; T62-L64 HydrophobicContact CG2-CG 4.15Å; T62-L64 PolarHBondContact O-N 2.93Å; L64-H66 HydrophobicContact CB-CB 4.31Å; L64-H66 PolarHBondContact O-N 3.28Å; L64-Y166 CarbonylContact C-O 3.51Å; L64-Y166 VanDerWaalsContact CA-O 3.22Å; L64-Y166 WeakPolarHBondContact CA-O 3.49Å; L64-Y166 WeakPolarHBondContact CD2-O 3.21Å; L64-R167 HydrophobicContact CD2-CB 4.32Å; L64-F282 HydrophobicContact CD1-CD1 3.92Å; L64-F282 HydrophobicContact CD1-CE1 3.84Å; L64-F282 HydrophobicContact CD1-CE2 4.47Å; L64-F282 HydrophobicContact CD1-CG 4.26Å; L64-F282 HydrophobicContact CD1-CZ 4.13Å; L64-I284 HydrophobicContact CD1-CD1 3.93Å; L64-I284 HydrophobicContact CD2-CD1 3.83Å; L64-I284 HydrophobicContact CG-CD1 3.96Å
65V88.7Confident83.5Confident0 Ų035.1 Ų35.10%017%0.169CC..  trans-87.369.8161.9-172.40000107.7G67 R87 V90 T98 Y166 T168 L376 T377V65-G67 PolarHBondContact O-N 3.45Å; V65-R87 HydrophobicContact CG1-CB 4.05Å; V65-R87 HydrophobicContact CG1-CG 3.89Å; V65-V90 HydrophobicContact CG1-CG1 4.44Å; V65-V90 HydrophobicContact CG2-CG1 4.45Å; V65-T98 HydrophobicContact CB-CG2 4.26Å; V65-T98 HydrophobicContact CG2-CG2 3.74Å; V65-Y166 PolarHBondContact N-O 2.95Å; V65-T168 HydrophobicContact CG2-CG2 3.62Å; V65-L376 HydrophobicContact CG2-CD2 4.25Å; V65-T377 HydrophobicContact CG1-CG2 3.54Å
66H80.9Confident82.4Confident26 Ų2634.9 Ų34.912%0.1217%0.168CC..  trans-69.8128.8-167.7-177.643.5000112.3L64 G68 E165 T377L64-H66 HydrophobicContact CB-CB 4.31Å; L64-H66 PolarHBondContact O-N 3.28Å; H66-G68 VanDerWaalsContact C-N 3.32Å; H66-G68 PolarHBondContact CE1-N 3.14Å; H66-G68 PolarHBondContact ND1-N 3.32Å; H66-G68 VanDerWaalsContact NE2-CA 3.35Å; H66-G68 WeakPolarHBondContact NE2-CA 3.38Å; H66-G68 PolarHBondContact NE2-N 3.29Å; H66-G68 PolarHBondContact O-N 2.94Å; H66-E165 WeakPolarHBondContact CA-OE2 3.3Å; H66-E165 IonicContact CE1-OE1 2.6Å; H66-E165 PolarHBondContact CE1-OE1 3.04Å; H66-E165 IonicContact CE1-OE2 3.7Å; H66-E165 IonicContact CG-OE2 3.77Å; H66-E165 IonicContact ND1-OE1 2.61Å; H66-E165 PolarHBondContact ND1-OE1 3.19Å; H66-E165 IonicContact ND1-OE2 2.88Å; H66-E165 PolarHBondContact ND1-OE2 3.43Å; H66-T377 PolarHBondContact N-OG1 3.01Å; H66-T377 PolarHBondContact O-OG1 3.23Å
67G70.9Confident81.5Confident0 Ų037.9 Ų37.90%018%0.18CC..  trans-81.6-5.8178.400000114.7V65 T83 Y125 E165V65-G67 PolarHBondContact O-N 3.45Å; G67-T83 PolarHBondContact O-OG1 2.6Å; G67-Y125 WeakPolarHBondContact CA-OH 3.32Å; G67-Y125 WeakPolarHBondContact O-CE2 3.43Å; G67-E165 PolarHBondContact N-OE2 3.22Å; G67-E165 VanDerWaalsContact N-OE2 3.11Å
68G72.5Confident80.7Confident0 Ų038.4 Ų38.40%019%0.194CC..  trans89.627.516800000116.4H66 R70 Y71H66-G68 VanDerWaalsContact C-N 3.32Å; H66-G68 PolarHBondContact CE1-N 3.14Å; H66-G68 PolarHBondContact ND1-N 3.32Å; H66-G68 VanDerWaalsContact NE2-CA 3.35Å; H66-G68 WeakPolarHBondContact NE2-CA 3.38Å; H66-G68 PolarHBondContact NE2-N 3.29Å; H66-G68 PolarHBondContact O-N 2.94Å; G68-R70 PolarHBondContact O-N 3.4Å; G68-Y71 VanDerWaalsContact CA-CD2 3.46Å; G68-Y71 WeakPolarHBondContact O-CD2 3.31Å; G68-Y71 PolarHBondContact O-N 3.26Å
69L72.3Confident79.7Confident21 Ų2138.3 Ų38.311%0.1119%0.193CC..Hα-helixtrans-47.3-37.6173.5178.861.6000112.6Y71 L72 L122 Y125 Y163L69-Y71 VanDerWaalsContact C-N 3.26Å; L69-Y71 PolarHBondContact O-N 3.41Å; L69-L72 HydrophobicContact CD1-CD1 4.06Å; L69-L72 PolarHBondContact O-N 2.88Å; L69-L122 HydrophobicContact CD1-CD2 3.76Å; L69-L122 HydrophobicContact CD2-CD2 3.44Å; L69-L122 VanDerWaalsContact CD2-CD2 3.44Å; L69-L122 HydrophobicContact CG-CD2 4.26Å; L69-Y125 HydrophobicContact CB-CD2 4.36Å; L69-Y125 HydrophobicContact CD1-CG 4.27Å; L69-Y163 HydrophobicContact CD2-CD2 4.35Å; L69-Y163 HydrophobicContact CD2-CE1 3.98Å; L69-Y163 HydrophobicContact CD2-CE2 3.66Å; L69-Y163 VanDerWaalsContact CD2-CZ 3.46Å
70R72.2Confident78.9Confident60 Ų6038.1 Ų38.123%0.22619%0.191CC..Hα-helixtrans-54.7-38.1175.7-173.9174172.9173.2-0.3113.4G68 K73 R279G68-R70 PolarHBondContact O-N 3.4Å; R70-K73 WeakPolarHBondContact O-CB 3.32Å; R70-K73 PolarHBondContact O-N 2.89Å; R70-R279 VanDerWaalsContact NH1-NH2 3.16Å
71Y64.2Low78.3Confident26 Ų2637.8 Ų37.810%0.10220%0.195CC..Hα-helixtrans-81.9-13.8-173.7-52.5-74.1000113.6G68 L69 K73 Q74 F75 Q76 R357G68-Y71 VanDerWaalsContact CA-CD2 3.46Å; G68-Y71 WeakPolarHBondContact O-CD2 3.31Å; G68-Y71 PolarHBondContact O-N 3.26Å; L69-Y71 VanDerWaalsContact C-N 3.26Å; L69-Y71 PolarHBondContact O-N 3.41Å; Y71-K73 PolarHBondContact O-N 3.32Å; Y71-Q74 CarbonylContact O-C 3.53Å; Y71-Q74 WeakPolarHBondContact O-CA 3.42Å; Y71-Q74 PolarHBondContact O-N 3.22Å; Y71-F75 PolarHBondContact O-N 3.32Å; Y71-Q76 PolarHBondContact O-N 3.03Å; Y71-R357 HydrophobicContact CD1-CG 4.46Å; Y71-R357 HydrophobicContact CE1-CB 4.04Å; Y71-R357 HydrophobicContact CE1-CG 3.44Å; Y71-R357 VanDerWaalsContact CE1-CG 3.44Å
72L67.7Low77.8Confident24 Ų2439.5 Ų39.513%0.12620%0.2CC..Hα-helixtrans-60.7-29.7168.8-72.7176000111.3L69 Q74 F75 V80 G121 Y125 L128L69-L72 HydrophobicContact CD1-CD1 4.06Å; L69-L72 PolarHBondContact O-N 2.88Å; L72-Q74 PolarHBondContact O-N 2.95Å; L72-F75 PolarHBondContact O-N 3.43Å; L72-V80 HydrophobicContact CD2-CB 4.22Å; L72-V80 HydrophobicContact CD2-CG1 4.14Å; L72-V80 HydrophobicContact CD2-CG2 3.84Å; L72-V80 HydrophobicContact CG-CG1 4.29Å; L72-V80 HydrophobicContact CG-CG2 3.93Å; L72-G121 WeakPolarHBondContact CD1-O 3.4Å; L72-Y125 HydrophobicContact CD1-CD2 4.42Å; L72-L128 HydrophobicContact CD2-CD1 3.77Å
73K69Low77.2Confident135 Ų13538.8 Ų38.859%0.58720%0.196SC*.THydrogen-bonded Turntrans-63.6-27.6173-167.7177.8176.9-177.30112.6R70 Y71 F113R70-K73 WeakPolarHBondContact O-CB 3.32Å; R70-K73 PolarHBondContact O-N 2.89Å; Y71-K73 PolarHBondContact O-N 3.32Å; K73-F113 HydrophobicContact CD-CE1 4.47Å; K73-F113 HydrophobicContact CD-CZ 4.48Å
74Q69.3Low76.8Confident66 Ų6638.5 Ų38.531%0.30819%0.194SC..THydrogen-bonded Turntrans-98.512.2179.1-66.4172.6-25.700112.5Y71 L72 Q76 S353Y71-Q74 CarbonylContact O-C 3.53Å; Y71-Q74 WeakPolarHBondContact O-CA 3.42Å; Y71-Q74 PolarHBondContact O-N 3.22Å; L72-Q74 PolarHBondContact O-N 2.95Å; Q74-Q76 HydrophobicContact CB-CG 4.13Å; Q74-Q76 PolarHBondContact O-N 3.38Å; Q74-Q76 VanDerWaalsContact O-N 3.07Å; Q74-S353 PolarHBondContact NE2-O 3.14Å
75F70.3Confident76.6Confident173 Ų17344.5 Ų44.576%0.75922%0.22SC*.THydrogen-bonded Turntrans55.723-178.3-59.4-83000115Y71 L72 I77Y71-F75 PolarHBondContact O-N 3.32Å; L72-F75 PolarHBondContact O-N 3.43Å; F75-I77 PolarHBondContact O-N 3.5Å
76Q74.9Confident76.8Confident35 Ų3544.9 Ų44.916%0.16422%0.222CC..  trans-80.656.4178-62.1-174.6-20.400111.7Y71 Q74 G78 V79 V80Y71-Q76 PolarHBondContact O-N 3.03Å; Q74-Q76 HydrophobicContact CB-CG 4.13Å; Q74-Q76 PolarHBondContact O-N 3.38Å; Q74-Q76 VanDerWaalsContact O-N 3.07Å; Q76-G78 VanDerWaalsContact C-N 3.3Å; Q76-G78 PolarHBondContact O-N 3.15Å; Q76-V79 HydrophobicContact CB-CB 4.32Å; Q76-V79 HydrophobicContact CB-CG2 4.23Å; Q76-V79 PolarHBondContact O-N 3.04Å; Q76-V79 VanDerWaalsContact O-N 3.15Å; Q76-V80 PolarHBondContact O-N 3.04Å
77I77.4Confident77.3Confident74 Ų7443.8 Ų43.838%0.37922%0.217SC..Hα-helixtrans-57.1-40.5-172.6-66.6173.6000112.3F75 V79 V80 A81 M124 L128F75-I77 PolarHBondContact O-N 3.5Å; I77-V79 VanDerWaalsContact C-N 3.35Å; I77-V79 PolarHBondContact O-N 2.84Å; I77-V80 PolarHBondContact O-N 3.3Å; I77-A81 PolarHBondContact O-N 3.06Å; I77-M124 HydrophobicContact CD1-CE 4.48Å; I77-L128 HydrophobicContact CG2-CD1 3.8Å; I77-L128 HydrophobicContact CG2-CD2 3.71Å; I77-L128 HydrophobicContact CG2-CG 4.42Å
78G77.3Confident78.3Confident53 Ų5346.3 Ų46.355%0.54624%0.237SC..Hα-helixtrans-59.2-44.1178.700000112.7Q76 V80 A81 E82Q76-G78 VanDerWaalsContact C-N 3.3Å; Q76-G78 PolarHBondContact O-N 3.15Å; G78-V80 VanDerWaalsContact C-N 3.33Å; G78-V80 PolarHBondContact O-N 3.36Å; G78-A81 PolarHBondContact O-N 3.44Å; G78-E82 WeakPolarHBondContact O-CB 3.46Å; G78-E82 PolarHBondContact O-N 3.5Å
79V75.7Confident79.3Confident12 Ų1247.2 Ų47.27%0.07324%0.242CC..Hα-helixtrans-63-40.9178.3178.70000110.8Q76 I77 T83 K358Q76-V79 HydrophobicContact CB-CB 4.32Å; Q76-V79 HydrophobicContact CB-CG2 4.23Å; Q76-V79 PolarHBondContact O-N 3.04Å; Q76-V79 VanDerWaalsContact O-N 3.15Å; I77-V79 VanDerWaalsContact C-N 3.35Å; I77-V79 PolarHBondContact O-N 2.84Å; V79-T83 HydrophobicContact CG1-CG2 4.13Å; V79-T83 VanDerWaalsContact O-CB 3.32Å; V79-T83 WeakPolarHBondContact O-CB 3.38Å; V79-T83 VanDerWaalsContact O-CG2 3.25Å; V79-T83 WeakPolarHBondContact O-CG2 3.17Å; V79-T83 PolarHBondContact O-N 2.87Å; V79-T83 PolarHBondContact O-OG1 2.88Å; V79-K358 HydrophobicContact CG2-CD 4.27Å; V79-K358 HydrophobicContact CG2-CG 3.72Å
80V79.3Confident80.4Confident0 Ų046.2 Ų46.20%024%0.237CC..Hα-helixtrans-66.9-42.9179.7178.30000111.2L72 Q76 I77 G78 T83 G84 Y125 L128L72-V80 HydrophobicContact CD2-CB 4.22Å; L72-V80 HydrophobicContact CD2-CG1 4.14Å; L72-V80 HydrophobicContact CD2-CG2 3.84Å; L72-V80 HydrophobicContact CG-CG1 4.29Å; L72-V80 HydrophobicContact CG-CG2 3.93Å; Q76-V80 PolarHBondContact O-N 3.04Å; I77-V80 PolarHBondContact O-N 3.3Å; G78-V80 VanDerWaalsContact C-N 3.33Å; G78-V80 PolarHBondContact O-N 3.36Å; V80-T83 PolarHBondContact O-OG1 2.61Å; V80-G84 PolarHBondContact O-N 3.4Å; V80-Y125 HydrophobicContact CG1-CD2 3.94Å; V80-Y125 HydrophobicContact CG1-CE2 4.44Å; V80-L128 HydrophobicContact CG1-CB 4.06Å; V80-L128 HydrophobicContact CG1-CD1 4.32Å
81A82.9Confident81.5Confident23 Ų2345 Ų4519%0.1923%0.232CC..Hα-helixtrans-66.1-41.5178.500000112.4I77 G78 K85 L128I77-A81 PolarHBondContact O-N 3.06Å; G78-A81 PolarHBondContact O-N 3.44Å; A81-K85 WeakPolarHBondContact O-CG 3.41Å; A81-K85 PolarHBondContact O-N 3.45Å; A81-L128 WeakPolarHBondContact CA-O 3.26Å; A81-L128 HydrophobicContact CB-CB 4.41Å; A81-L128 HydrophobicContact CB-CD2 4.35Å
82E84Confident83Confident63 Ų6347.9 Ų47.929%0.29425%0.247SC..Hα-helixtrans-67.5-54.2177.6-171-174.1104.900111.4G78 G84 K85 E86 H381G78-E82 WeakPolarHBondContact O-CB 3.46Å; G78-E82 PolarHBondContact O-N 3.5Å; E82-G84 VanDerWaalsContact C-N 3.27Å; E82-G84 PolarHBondContact O-N 2.92Å; E82-K85 WeakPolarHBondContact O-CB 3.31Å; E82-K85 PolarHBondContact O-N 2.92Å; E82-K85 VanDerWaalsContact O-N 3.08Å; E82-E86 PolarHBondContact O-N 2.73Å; E82-H381 IonicContact OE1-ND1 2.7Å; E82-H381 IonicContact OE2-CE1 2.79Å
83T83.3Confident84.4Confident5 Ų547.2 Ų47.23%0.03124%0.243CC..Hα-helixtrans-61.7-34.4-179.753.20000112.7G67 V79 V80 E86 R87 K375 T377G67-T83 PolarHBondContact O-OG1 2.6Å; V79-T83 HydrophobicContact CG1-CG2 4.13Å; V79-T83 VanDerWaalsContact O-CB 3.32Å; V79-T83 WeakPolarHBondContact O-CB 3.38Å; V79-T83 VanDerWaalsContact O-CG2 3.25Å; V79-T83 WeakPolarHBondContact O-CG2 3.17Å; V79-T83 PolarHBondContact O-N 2.87Å; V79-T83 PolarHBondContact O-OG1 2.88Å; V80-T83 PolarHBondContact O-OG1 2.61Å; T83-E86 PolarHBondContact O-N 2.84Å; T83-R87 VanDerWaalsContact O-CB 3.26Å; T83-R87 WeakPolarHBondContact O-CB 3.44Å; T83-R87 PolarHBondContact O-N 3.32Å; T83-K375 HydrophobicContact CG2-CD 4.09Å; T83-T377 WeakPolarHBondContact O-CG2 3.46Å
84G86.7Confident85.8Confident0 Ų040.8 Ų40.80%022%0.215CC..Hα-helixtrans-67.6-36.8174.900000114V80 E82 A88V80-G84 PolarHBondContact O-N 3.4Å; E82-G84 VanDerWaalsContact C-N 3.27Å; E82-G84 PolarHBondContact O-N 2.92Å; G84-A88 PolarHBondContact O-N 3.18Å
85K88.3Confident87.1Confident138 Ų13837.6 Ų37.660%0.620%0.201SC*.Hα-helixtrans-67-45.7172.2-72.8171.9-176.3176.30111.3A81 E82 A88 I89A81-K85 WeakPolarHBondContact O-CG 3.41Å; A81-K85 PolarHBondContact O-N 3.45Å; E82-K85 WeakPolarHBondContact O-CB 3.31Å; E82-K85 PolarHBondContact O-N 2.92Å; E82-K85 VanDerWaalsContact O-N 3.08Å; K85-A88 PolarHBondContact O-N 3.07Å; K85-I89 PolarHBondContact O-N 3.11Å
86E93.1Very high88.4Confident8 Ų830 Ų304%0.03717%0.167CC..Hα-helixtrans-64.6-40.4179.1-67.3-58.111400111.5E82 T83 A88 I89 V90 T377 R380 H381E82-E86 PolarHBondContact O-N 2.73Å; T83-E86 PolarHBondContact O-N 2.84Å; E86-A88 VanDerWaalsContact C-N 3.27Å; E86-A88 PolarHBondContact O-N 3.28Å; E86-I89 CarbonylContact O-C 3.47Å; E86-I89 WeakPolarHBondContact O-CA 3.38Å; E86-I89 WeakPolarHBondContact O-CB 3.3Å; E86-I89 PolarHBondContact O-N 3.29Å; E86-I89 WeakPolarHBondContact OE1-CD1 3.41Å; E86-V90 WeakPolarHBondContact O-CG2 3.41Å; E86-V90 PolarHBondContact O-N 2.97Å; E86-T377 HydrophobicContact CB-CG2 4.45Å; E86-T377 VanDerWaalsContact CB-O 3.28Å; E86-T377 WeakPolarHBondContact CB-O 3.43Å; E86-R380 VanDerWaalsContact CD-NH2 3.35Å; E86-R380 IonicContact OE1-CZ 2.66Å; E86-R380 IonicContact OE1-NE 3.5Å; E86-R380 IonicContact OE1-NH2 3.75Å; E86-R380 PolarHBondContact OE1-NH2 3.43Å; E86-R380 WeakPolarHBondContact OE2-CB 3.3Å; E86-R380 IonicContact OE2-CZ 3.89Å; E86-R380 IonicContact OE2-NE 3.93Å; E86-R380 PolarHBondContact OE2-NE 3.19Å; E86-R380 IonicContact OE2-NH2 3.75Å; E86-R380 PolarHBondContact OE2-NH2 2.82Å; E86-H381 HydrophobicContact CG-CB 3.93Å; E86-H381 PolarHBondContact OE2-N 2.9Å
87R92.3Very high89.5Confident4 Ų428.7 Ų28.72%0.01516%0.162CC..Hα-helixtrans-52.3-43.5173176.4-168.868.8142.81.4112.7V65 T83 I89 V90 Y91 A129 Y166 T377V65-R87 HydrophobicContact CG1-CB 4.05Å; V65-R87 HydrophobicContact CG1-CG 3.89Å; T83-R87 VanDerWaalsContact O-CB 3.26Å; T83-R87 WeakPolarHBondContact O-CB 3.44Å; T83-R87 PolarHBondContact O-N 3.32Å; R87-I89 VanDerWaalsContact C-N 3.32Å; R87-V90 PolarHBondContact O-N 2.92Å; R87-Y91 WeakPolarHBondContact O-CB 3.28Å; R87-Y91 PolarHBondContact O-N 2.67Å; R87-A129 PolarHBondContact NH2-O 3.01Å; R87-Y166 VanDerWaalsContact CD-CD2 3.47Å; R87-Y166 HydrophobicContact CG-CD2 3.9Å; R87-Y166 HydrophobicContact CG-CE2 4.34Å; R87-Y166 HydrophobicContact CG-CG 4.13Å; R87-T377 HydrophobicContact CB-CG2 3.8Å
88A90.7Very high90.3Very high53 Ų5325.1 Ų25.144%0.43814%0.144SC..Hα-helixtrans-66.2-36.7178.300000112G84 K85 E86 E92G84-A88 PolarHBondContact O-N 3.18Å; K85-A88 PolarHBondContact O-N 3.07Å; E86-A88 VanDerWaalsContact C-N 3.27Å; E86-A88 PolarHBondContact O-N 3.28Å; A88-E92 WeakPolarHBondContact O-CB 3.42Å; A88-E92 PolarHBondContact O-N 2.86Å; A88-E92 VanDerWaalsContact O-N 3.11Å
89I94.5Very high90.9Very high18 Ų1824.9 Ų24.99%0.09213%0.131CC..Hα-helixtrans-68.9-46.8175.9-64.8162.5000110.5K85 E86 R87 Y91 E92 N93 K408K85-I89 PolarHBondContact O-N 3.11Å; E86-I89 CarbonylContact O-C 3.47Å; E86-I89 WeakPolarHBondContact O-CA 3.38Å; E86-I89 WeakPolarHBondContact O-CB 3.3Å; E86-I89 PolarHBondContact O-N 3.29Å; E86-I89 WeakPolarHBondContact OE1-CD1 3.41Å; R87-I89 VanDerWaalsContact C-N 3.32Å; I89-Y91 VanDerWaalsContact C-N 3.29Å; I89-Y91 PolarHBondContact O-N 2.84Å; I89-E92 PolarHBondContact O-N 2.94Å; I89-E92 VanDerWaalsContact O-N 3.16Å; I89-N93 WeakPolarHBondContact O-CB 3.35Å; I89-N93 VanDerWaalsContact O-CG 3.28Å; I89-N93 PolarHBondContact O-N 2.86Å; I89-K408 HydrophobicContact CD1-CD 4.06Å; I89-K408 HydrophobicContact CD1-CG 3.83Å; I89-K408 HydrophobicContact CG1-CG 4.05Å; I89-K408 HydrophobicContact CG2-CG 4.35Å
90V95.4Very high91.6Very high1 Ų126.5 Ų26.51%0.00614%0.142CC..Hα-helixtrans-58.8-42.8177.6174.40000110.9V65 E86 R87 N93 G94 L173 Y379V65-V90 HydrophobicContact CG1-CG1 4.44Å; V65-V90 HydrophobicContact CG2-CG1 4.45Å; E86-V90 WeakPolarHBondContact O-CG2 3.41Å; E86-V90 PolarHBondContact O-N 2.97Å; R87-V90 PolarHBondContact O-N 2.92Å; V90-N93 PolarHBondContact O-N 3.45Å; V90-G94 PolarHBondContact O-N 3.15Å; V90-G94 VanDerWaalsContact O-N 3.11Å; V90-L173 HydrophobicContact CG1-CD1 4.08Å; V90-L173 HydrophobicContact CG1-CD2 4.27Å; V90-Y379 HydrophobicContact CG2-CD1 4.28Å; V90-Y379 HydrophobicContact CG2-CE1 3.69Å
91Y95Very high92.3Very high34 Ų3428 Ų2813%0.13315%0.149CC..Hα-helixtrans-62.3-44.1175.9179.6-141.1000112.4R87 I89 G94 P95 T98 Y166 S420R87-Y91 WeakPolarHBondContact O-CB 3.28Å; R87-Y91 PolarHBondContact O-N 2.67Å; I89-Y91 VanDerWaalsContact C-N 3.29Å; I89-Y91 PolarHBondContact O-N 2.84Å; Y91-G94 CarbonylContact O-C 3.55Å; Y91-P95 HydrophobicContact CD2-CB 4.31Å; Y91-P95 HydrophobicContact CE2-CB 4.01Å; Y91-P95 WeakPolarHBondContact O-CA 3.49Å; Y91-P95 WeakPolarHBondContact O-CD 3.44Å; Y91-P95 VanDerWaalsContact O-N 3.14Å; Y91-T98 HydrophobicContact CD2-CG2 4.27Å; Y91-T98 WeakPolarHBondContact CD2-O 3.4Å; Y91-T98 WeakPolarHBondContact CE2-O 3.17Å; Y91-Y166 HydrophobicContact CD1-CD1 4.49Å; Y91-Y166 AromaticContact CD1-CE1 3.53Å; Y91-Y166 HydrophobicContact CD1-CE1 3.53Å; Y91-Y166 HydrophobicContact CD2-CD1 4.38Å; Y91-Y166 HydrophobicContact CD2-CE1 4.1Å; Y91-Y166 AromaticContact CE1-CE1 3.92Å; Y91-Y166 HydrophobicContact CE1-CE1 3.92Å; Y91-Y166 HydrophobicContact CE2-CE1 4.45Å; Y91-Y166 HydrophobicContact CG-CD1 4.15Å; Y91-Y166 AromaticContact CG-CE1 3.62Å; Y91-Y166 HydrophobicContact CG-CE1 3.62Å; Y91-S420 VanDerWaalsContact CE1-CB 3.46Å; Y91-S420 VanDerWaalsContact CZ-CB 3.43Å
92E96Very high92.8Very high87 Ų8730.1 Ų30.141%0.40715%0.152SC..Hα-helixtrans-71.5-35.6-179-167.859.4-159.100112.7A88 I89 G94 G419 S420A88-E92 WeakPolarHBondContact O-CB 3.42Å; A88-E92 PolarHBondContact O-N 2.86Å; A88-E92 VanDerWaalsContact O-N 3.11Å; I89-E92 PolarHBondContact O-N 2.94Å; I89-E92 VanDerWaalsContact O-N 3.16Å; E92-G94 VanDerWaalsContact C-N 3.34Å; E92-G419 WeakPolarHBondContact OE1-CA 3.25Å; E92-S420 PolarHBondContact OE1-N 3.21Å; E92-S420 WeakPolarHBondContact OE2-CB 3.41Å; E92-S420 PolarHBondContact OE2-N 3.07Å; E92-S420 PolarHBondContact OE2-OG 2.87Å
93N97.8Very high93.4Very high9 Ų927.1 Ų27.15%0.04814%0.138CC..Hα-helixtrans-70.9-28.3178.3-74.3-3.3000112.7I89 V90 T407 K408 L410 A411 I412I89-N93 WeakPolarHBondContact O-CB 3.35Å; I89-N93 VanDerWaalsContact O-CG 3.28Å; I89-N93 PolarHBondContact O-N 2.86Å; V90-N93 PolarHBondContact O-N 3.45Å; N93-T407 PolarHBondContact ND2-O 2.99Å; N93-K408 PolarHBondContact OD1-O 2.8Å; N93-L410 PolarHBondContact ND2-O 2.85Å; N93-L410 VanDerWaalsContact ND2-O 3.13Å; N93-L410 PolarHBondContact OD1-O 3.49Å; N93-A411 VanDerWaalsContact O-CA 3.3Å; N93-A411 WeakPolarHBondContact O-CA 3.4Å; N93-I412 HydrophobicContact CB-CG2 4.4Å; N93-I412 PolarHBondContact O-N 3.23Å
94G97.7Very high94Very high0 Ų026.9 Ų26.90%014%0.137CC..  trans-150.167.7-174.600000113.4V90 Y91 E92 H96 V97 T98V90-G94 PolarHBondContact O-N 3.15Å; V90-G94 VanDerWaalsContact O-N 3.11Å; Y91-G94 CarbonylContact O-C 3.55Å; E92-G94 VanDerWaalsContact C-N 3.34Å; G94-H96 PolarHBondContact O-N 2.8Å; G94-V97 PolarHBondContact O-N 2.98Å; G94-V97 VanDerWaalsContact O-N 3.08Å; G94-T98 PolarHBondContact O-N 3.1Å; G94-T98 VanDerWaalsContact O-N 3.1Å
95P96.9Very high94.4Very high0 Ų027.2 Ų27.20%014%0.138CC..THydrogen-bonded Turntrans-67.2-21-176.327.5-36.7000113.8Y91 V97 T98 V417 F423Y91-P95 HydrophobicContact CD2-CB 4.31Å; Y91-P95 HydrophobicContact CE2-CB 4.01Å; Y91-P95 WeakPolarHBondContact O-CA 3.49Å; Y91-P95 WeakPolarHBondContact O-CD 3.44Å; Y91-P95 VanDerWaalsContact O-N 3.14Å; P95-V97 VanDerWaalsContact C-N 3.3Å; P95-T98 VanDerWaalsContact O-O 3.07Å; P95-V417 HydrophobicContact CG-CG2 3.47Å; P95-V417 VanDerWaalsContact CG-CG2 3.47Å; P95-F423 HydrophobicContact CB-CB 4.14Å; P95-F423 HydrophobicContact CB-CD1 4.26Å; P95-F423 HydrophobicContact CB-CG 4.12Å; P95-F423 HydrophobicContact CG-CB 4.18Å; P95-F423 HydrophobicContact CG-CD2 4.42Å; P95-F423 HydrophobicContact CG-CG 4.22Å
96H97.6Very high94.8Very high12 Ų1220.8 Ų20.86%0.05611%0.111CC..THydrogen-bonded Turntrans-73.2-20.4174.166.7-71.5000113.3G94 S413 G414 G415 F423 S449 K450G94-H96 PolarHBondContact O-N 2.8Å; H96-S413 PolarHBondContact CE1-O 3.16Å; H96-S413 PolarHBondContact NE2-O 2.97Å; H96-G414 PolarHBondContact CE1-O 3.36Å; H96-G414 VanDerWaalsContact CE1-O 3.25Å; H96-G414 PolarHBondContact ND1-O 3.05Å; H96-G414 VanDerWaalsContact ND1-O 3.17Å; H96-G415 PolarHBondContact CE1-N 3.26Å; H96-G415 VanDerWaalsContact CE1-N 3.3Å; H96-F423 HydrophobicContact CB-CE1 4.37Å; H96-F423 HydrophobicContact CB-CE2 3.58Å; H96-F423 HydrophobicContact CB-CZ 3.48Å; H96-F423 VanDerWaalsContact CB-CZ 3.48Å; H96-S449 WeakPolarHBondContact CB-O 3.23Å; H96-S449 VanDerWaalsContact O-O 3.1Å; H96-K450 PolarHBondContact CD2-O 3.24Å
97V97Very high94.8Very high8 Ų820.6 Ų20.65%0.04811%0.11CC..THydrogen-bonded Turntrans-108.9-17.9-179.4-164.20000112.5G94 P95 T168 D169 R172 L173 E176 I412G94-V97 PolarHBondContact O-N 2.98Å; G94-V97 VanDerWaalsContact O-N 3.08Å; P95-V97 VanDerWaalsContact C-N 3.3Å; V97-T168 WeakPolarHBondContact O-CA 3.4Å; V97-T168 VanDerWaalsContact O-CB 3.27Å; V97-T168 WeakPolarHBondContact O-CB 3.46Å; V97-T168 PolarHBondContact O-OG1 3.46Å; V97-D169 HydrophobicContact CG1-CB 4.43Å; V97-D169 WeakPolarHBondContact CG1-O 3.14Å; V97-D169 PolarHBondContact O-N 2.84Å; V97-R172 HydrophobicContact CB-CG 4.44Å; V97-R172 HydrophobicContact CG1-CB 3.87Å; V97-R172 HydrophobicContact CG1-CG 3.7Å; V97-R172 HydrophobicContact CG2-CG 3.87Å; V97-L173 HydrophobicContact CG1-CB 3.83Å; V97-E176 HydrophobicContact CG2-CG 4.06Å; V97-I412 HydrophobicContact CG2-CD1 4.32Å
98T94.6Very high94.9Very high0 Ų020.9 Ų20.90%011%0.112CC..EExtended strand (participates in β ladder)trans-128.4120.3-178.1-61.60000108.8V65 Y91 G94 P95 Y166 R167V65-T98 HydrophobicContact CB-CG2 4.26Å; V65-T98 HydrophobicContact CG2-CG2 3.74Å; Y91-T98 HydrophobicContact CD2-CG2 4.27Å; Y91-T98 WeakPolarHBondContact CD2-O 3.4Å; Y91-T98 WeakPolarHBondContact CE2-O 3.17Å; G94-T98 PolarHBondContact O-N 3.1Å; G94-T98 VanDerWaalsContact O-N 3.1Å; P95-T98 VanDerWaalsContact O-O 3.07Å; T98-Y166 HydrophobicContact CG2-CD1 3.87Å; T98-Y166 HydrophobicContact CG2-CG 4.39Å; T98-R167 WeakPolarHBondContact CA-O 3.5Å
99T89.4Confident94.8Very high47 Ų4726.1 Ų26.129%0.28813%0.125SC..EExtended strand (participates in β ladder)trans-129.8145-17859.80000110.9E101 Y166 R167T99-E101 PolarHBondContact O-N 2.86Å; T99-Y166 CarbonylContact O-C 3.5Å; T99-Y166 VanDerWaalsContact O-CA 3.29Å; T99-Y166 WeakPolarHBondContact O-CA 3.14Å; T99-R167 PolarHBondContact N-O 3.1Å; T99-R167 PolarHBondContact O-N 3.41Å
100P91.4Very high94.2Very high47 Ų4729.3 Ų29.331%0.30516%0.161SC..EExtended strand (participates in β ladder)trans-63.6136.1175.327.2-33.6000110.5V164 Y166P100-V164 HydrophobicContact CB-CG2 3.79Å; P100-Y166 HydrophobicContact CB-CD1 4.28Å; P100-Y166 HydrophobicContact CB-CE1 3.89Å; P100-Y166 HydrophobicContact CG-CE1 4.5Å
101E93.1Very high93.5Very high31 Ų3130.4 Ų30.415%0.14517%0.173CC..EExtended strand (participates in β ladder)trans-127.5119.6177-176.261.3-135.700108T99 M103 E165 R167 A269T99-E101 PolarHBondContact O-N 2.86Å; E101-M103 PolarHBondContact O-N 3.17Å; E101-E165 PolarHBondContact N-O 3.16Å; E101-E165 CarbonylContact O-C 3.56Å; E101-E165 PolarHBondContact O-N 3.41Å; E101-R167 HydrophobicContact CB-CB 4.16Å; E101-R167 IonicContact OE2-CZ 2.73Å; E101-R167 IonicContact OE2-NH1 2.97Å; E101-A269 HydrophobicContact CG-CB 3.9Å
102W94.7Very high92.7Very high68 Ų6831 Ų3126%0.25818%0.181SC..EExtended strand (participates in β ladder)trans-75.1127.6176.7-76.294000109.3Y162 Q268W102-Y162 HydrophobicContact CB-CE1 4.15Å; W102-Y162 HydrophobicContact CB-CE2 3.7Å; W102-Y162 VanDerWaalsContact CB-CZ 3.41Å; W102-Y162 WeakPolarHBondContact CB-OH 3.41Å; W102-Y162 HydrophobicContact CD2-CD1 4.26Å; W102-Y162 AromaticContact CD2-CE1 3.53Å; W102-Y162 HydrophobicContact CD2-CE1 3.53Å; W102-Y162 AromaticContact CD2-CZ 3.76Å; W102-Y162 AromaticContact CE3-CD1 3.49Å; W102-Y162 HydrophobicContact CE3-CD1 3.49Å; W102-Y162 VanDerWaalsContact CE3-CD1 3.49Å; W102-Y162 AromaticContact CE3-CE1 3.22Å; W102-Y162 HydrophobicContact CE3-CE1 3.22Å; W102-Y162 HydrophobicContact CE3-CE2 4.39Å; W102-Y162 HydrophobicContact CE3-CG 4.19Å; W102-Y162 AromaticContact CE3-CZ 3.76Å; W102-Y162 AromaticContact CG-CE1 3.94Å; W102-Y162 HydrophobicContact CG-CE1 3.94Å; W102-Y162 HydrophobicContact CG-CE2 4.38Å; W102-Y162 AromaticContact CG-CZ 3.64Å; W102-Y162 AromaticContact CZ3-CD1 3.78Å; W102-Y162 HydrophobicContact CZ3-CD1 3.78Å; W102-Y162 AromaticContact CZ3-CE1 3.81Å; W102-Y162 HydrophobicContact CZ3-CE1 3.81Å; W102-Q268 PolarHBondContact O-NE2 3.18Å
103M95.5Very high91.8Very high0 Ų029.4 Ų29.40%017%0.172CC..EExtended strand (participates in β ladder)trans-108.7132.2-178.7-168.663.962.600110.4E101 Y162 Y163 E165 A269 F282 I284E101-M103 PolarHBondContact O-N 3.17Å; M103-Y162 WeakPolarHBondContact O-CA 3.41Å; M103-Y163 HydrophobicContact CB-CD1 4.13Å; M103-Y163 HydrophobicContact CB-CE1 3.67Å; M103-Y163 HydrophobicContact CB-CE2 4.25Å; M103-Y163 HydrophobicContact CG-CE1 3.66Å; M103-Y163 WeakPolarHBondContact CG-OH 3.17Å; M103-Y163 PolarHBondContact N-O 2.9Å; M103-Y163 WeakPolarHBondContact O-CD1 3.42Å; M103-Y163 PolarHBondContact O-N 3.01Å; M103-E165 HydrophobicContact CB-CG 4.21Å; M103-E165 HydrophobicContact CE-CB 4.45Å; M103-A269 HydrophobicContact CE-CB 3.77Å; M103-A269 VanDerWaalsContact SD-C 3.54Å; M103-A269 HydrophobicContact SD-CB 3.77Å; M103-F282 HydrophobicContact CE-CD1 3.73Å; M103-F282 HydrophobicContact CE-CE1 4.14Å; M103-F282 HydrophobicContact SD-CD1 4.11Å; M103-I284 HydrophobicContact CE-CD1 4.42Å; M103-I284 HydrophobicContact CE-CG1 4.3Å
104L96.7Very high90.9Very high0 Ų030.7 Ų30.70%019%0.187CC..EExtended strand (participates in β ladder)trans-100.2122.9173.2-177.565000110.1P106 L140 T145 K148 E149 Y162 Q268 A269 V270 Y271L104-P106 VanDerWaalsContact O-CD 3.25Å; L104-P106 WeakPolarHBondContact O-CD 3.4Å; L104-L140 HydrophobicContact CD1-CD1 3.81Å; L104-T145 HydrophobicContact CD1-CG2 4.22Å; L104-T145 HydrophobicContact CD2-CG2 4.09Å; L104-T145 HydrophobicContact CG-CG2 4.48Å; L104-K148 HydrophobicContact CD2-CB 4.12Å; L104-E149 HydrophobicContact CD2-CB 3.88Å; L104-Y162 HydrophobicContact CB-CD2 4.47Å; L104-Y162 HydrophobicContact CD1-CD2 4.26Å; L104-Q268 HydrophobicContact CB-CG 3.79Å; L104-Q268 HydrophobicContact CD2-CG 4.08Å; L104-A269 PolarHBondContact N-O 3.42Å; L104-V270 HydrophobicContact CB-CG2 4.36Å; L104-V270 HydrophobicContact CD2-CG2 4.47Å; L104-V270 CarbonylContact O-C 3.06Å; L104-V270 VanDerWaalsContact O-CA 3.26Å; L104-V270 WeakPolarHBondContact O-CA 3.49Å; L104-Y271 PolarHBondContact O-N 3.42Å
105L95.2Very high90.1Very high6 Ų635.7 Ų35.73%0.03121%0.209CC..EExtended strand (participates in β ladder)trans-10690172.4174.460.9000108.8F113 T118 G160 G161 Y163 Y271 M280L105-F113 HydrophobicContact CD1-CD2 4.4Å; L105-T118 HydrophobicContact CD2-CG2 3.68Å; L105-G160 CarbonylContact O-C 3.51Å; L105-G160 WeakPolarHBondContact O-CA 3.45Å; L105-G161 PolarHBondContact N-O 2.96Å; L105-G161 PolarHBondContact O-N 2.92Å; L105-Y163 HydrophobicContact CB-CE1 4.18Å; L105-Y271 WeakPolarHBondContact CA-O 3.23Å; L105-Y271 HydrophobicContact CD1-CD1 4.21Å; L105-Y271 WeakPolarHBondContact CD1-O 3.24Å; L105-M280 HydrophobicContact CD1-CE 3.55Å
106P95.8Very high89.4Confident3 Ų343.4 Ų43.42%0.01924%0.243CC..EExtended strand (participates in β ladder)trans-66.314717630-35.6000110.4L104 T145 V152 L157 V270 F272 M323L104-P106 VanDerWaalsContact O-CD 3.25Å; L104-P106 WeakPolarHBondContact O-CD 3.4Å; P106-T145 HydrophobicContact CB-CG2 4.46Å; P106-V152 HydrophobicContact CB-CG1 3.82Å; P106-V152 HydrophobicContact CG-CG1 4.3Å; P106-V152 HydrophobicContact CG-CG2 4.47Å; P106-L157 HydrophobicContact CB-CD1 3.97Å; P106-V270 HydrophobicContact CG-CG1 3.89Å; P106-F272 HydrophobicContact CG-CB 4.33Å; P106-M323 HydrophobicContact CG-CE 4.44Å; P106-M323 HydrophobicContact CG-SD 3.86Å
107M94.1Very high88.7Confident5 Ų545.8 Ų45.83%0.02526%0.261CS..EExtended strand (participates in β ladder)trans-124.2116.6-178.3-63173.9-68.500110.3K115 T118 M139 K158 G159M107-K115 HydrophobicContact CE-CB 4.12Å; M107-K115 HydrophobicContact CE-CG 4.01Å; M107-K115 VanDerWaalsContact SD-CA 3.5Å; M107-K115 HydrophobicContact SD-CB 4.2Å; M107-T118 HydrophobicContact SD-CG2 3.91Å; M107-T118 PolarHBondContact SD-OG1 2.88Å; M107-M139 HydrophobicContact CE-CE 3.54Å; M107-M139 HydrophobicContact SD-CE 4.09Å; M107-K158 WeakPolarHBondContact O-CB 3.34Å; M107-K158 PolarHBondContact O-N 2.84Å; M107-G159 PolarHBondContact N-O 3.32Å
108H93Very high88.1Confident9 Ų945.7 Ų45.74%0.04226%0.26CS..EExtended strand (participates in β ladder)trans-105.5158.2-179.1-63.673.9000111.8G110 G111 K153 E155 G156 M323H108-G110 PolarHBondContact O-N 3.34Å; H108-G111 PolarHBondContact O-N 2.6Å; H108-G111 VanDerWaalsContact O-N 3.16Å; H108-K153 PolarHBondContact NE2-O 3.15Å; H108-E155 PolarHBondContact CD2-O 2.67Å; H108-E155 VanDerWaalsContact CD2-O 3.25Å; H108-G156 CarbonylContact C-O 3.46Å; H108-G156 WeakPolarHBondContact CA-O 3.28Å; H108-M323 VanDerWaalsContact CE1-SD 3.6Å
109K89.3Confident87.7Confident164 Ų16447.5 Ų47.571%0.71327%0.273SS*.THydrogen-bonded Turntrans-61.7127.4170.4-172.7-175.9176.5-171.80109G111 G156K109-G111 PolarHBondContact O-N 3.12Å; K109-G156 PolarHBondContact N-O 3.35Å
110G82.5Confident87.4Confident84 Ų8449.1 Ų49.187%0.86628%0.279SS*.THydrogen-bonded Turntrans81.3-5.9-177.300000114.5H108H108-G110 PolarHBondContact O-N 3.34Å
111G81Confident87.1Confident24 Ų2447.8 Ų47.825%0.24727%0.274CS..SBendtrans-70.2169.7176.600000113.3H108 K109 F113 D273H108-G111 PolarHBondContact O-N 2.6Å; H108-G111 VanDerWaalsContact O-N 3.16Å; K109-G111 PolarHBondContact O-N 3.12Å; G111-F113 PolarHBondContact O-N 3.13Å; G111-F113 VanDerWaalsContact O-N 3.12Å; G111-D273 WeakPolarHBondContact CA-OD2 3.39Å
112T77.1Confident86.8Confident48 Ų4846.4 Ų46.429%0.29427%0.268SS..SBendtrans-56.4-31.7-174.7-56.70000113.2D273T112-D273 WeakPolarHBondContact CB-OD2 3.41Å; T112-D273 PolarHBondContact N-OD2 3.5Å; T112-D273 WeakPolarHBondContact OG1-CB 3.08Å; T112-D273 PolarHBondContact OG1-OD2 3.01Å
113F77.5Confident86.4Confident53 Ų5344.6 Ų44.623%0.23227%0.27CS..  trans-126.2132-175.1-55.4-74.7000113.5K73 L105 G111 T118 M280K73-F113 HydrophobicContact CD-CE1 4.47Å; K73-F113 HydrophobicContact CD-CZ 4.48Å; L105-F113 HydrophobicContact CD1-CD2 4.4Å; G111-F113 PolarHBondContact O-N 3.13Å; G111-F113 VanDerWaalsContact O-N 3.12Å; F113-T118 VanDerWaalsContact CB-OG1 3.24Å; F113-T118 WeakPolarHBondContact CB-OG1 3.42Å; F113-M280 HydrophobicContact CD2-CE 4.39Å; F113-M280 HydrophobicContact CD2-SD 4.28Å; F113-M280 HydrophobicContact CE2-CE 3.91Å; F113-M280 HydrophobicContact CE2-CG 4.22Å; F113-M280 HydrophobicContact CE2-SD 3.61Å
114G79.9Confident85.8Confident35 Ų3548.6 Ų48.636%0.36129%0.29SS..  trans-86.7160169.100000112.2F116 S117 T118G114-F116 VanDerWaalsContact C-N 3.3Å; G114-F116 PolarHBondContact O-N 3.04Å; G114-S117 PolarHBondContact N-OG 3.29Å; G114-S117 PolarHBondContact O-N 2.91Å; G114-S117 PolarHBondContact O-OG 2.75Å; G114-T118 VanDerWaalsContact O-CB 3.27Å; G114-T118 WeakPolarHBondContact O-CB 3.29Å; G114-T118 PolarHBondContact O-N 2.84Å; G114-T118 PolarHBondContact O-OG1 2.84Å
115K80.4Confident85.2Confident105 Ų10548.6 Ų48.646%0.45729%0.29SS..Hα-helixtrans-56.7-41.2-179.7-172172.1-177.1177.50113.4M107 S119 M139M107-K115 HydrophobicContact CE-CB 4.12Å; M107-K115 HydrophobicContact CE-CG 4.01Å; M107-K115 VanDerWaalsContact SD-CA 3.5Å; M107-K115 HydrophobicContact SD-CB 4.2Å; K115-S119 VanDerWaalsContact O-CB 3.27Å; K115-S119 WeakPolarHBondContact O-CB 3.19Å; K115-S119 PolarHBondContact O-N 2.85Å; K115-S119 VanDerWaalsContact O-N 3.07Å; K115-M139 HydrophobicContact CG-CE 4.09Å
116F82Confident84.8Confident162 Ų16248.7 Ų48.771%0.71129%0.291SS*.Hα-helixtrans-70.5-50.4179.9-177.3-105.1000112.1G114 T118 S119 I120G114-F116 VanDerWaalsContact C-N 3.3Å; G114-F116 PolarHBondContact O-N 3.04Å; F116-T118 PolarHBondContact O-N 2.81Å; F116-S119 WeakPolarHBondContact O-CB 3.41Å; F116-S119 PolarHBondContact O-N 3.28Å; F116-I120 HydrophobicContact CD1-CD1 3.86Å; F116-I120 HydrophobicContact CE1-CD1 3.31Å; F116-I120 HydrophobicContact CE1-CG1 4.49Å; F116-I120 HydrophobicContact CE2-CD1 4.09Å; F116-I120 HydrophobicContact CG-CD1 4.47Å; F116-I120 HydrophobicContact CZ-CD1 3.45Å; F116-I120 VanDerWaalsContact CZ-CD1 3.45Å; F116-I120 HydrophobicContact CZ-CG1 4.45Å; F116-I120 PolarHBondContact O-N 3.06Å
117S83.6Confident84.3Confident62 Ų6258.7 Ų58.743%0.43433%0.328SS..Hα-helixtrans-64.2-39.4179.155.10000112.2G114 S119 I120 G121G114-S117 PolarHBondContact N-OG 3.29Å; G114-S117 PolarHBondContact O-N 2.91Å; G114-S117 PolarHBondContact O-OG 2.75Å; S117-S119 PolarHBondContact O-N 2.75Å; S117-I120 PolarHBondContact O-N 3.16Å; S117-G121 PolarHBondContact O-N 2.76Å
118T83.9Confident83.7Confident6 Ų660.5 Ų60.54%0.03734%0.337CS..Hα-helixtrans-60.1-45.6172.7-56.40000111.4L105 M107 F113 G114 F116 I120 G121 L122 M139L105-T118 HydrophobicContact CD2-CG2 3.68Å; M107-T118 HydrophobicContact SD-CG2 3.91Å; M107-T118 PolarHBondContact SD-OG1 2.88Å; F113-T118 VanDerWaalsContact CB-OG1 3.24Å; F113-T118 WeakPolarHBondContact CB-OG1 3.42Å; G114-T118 VanDerWaalsContact O-CB 3.27Å; G114-T118 WeakPolarHBondContact O-CB 3.29Å; G114-T118 PolarHBondContact O-N 2.84Å; G114-T118 PolarHBondContact O-OG1 2.84Å; F116-T118 PolarHBondContact O-N 2.81Å; T118-I120 VanDerWaalsContact C-N 3.31Å; T118-I120 PolarHBondContact O-N 2.88Å; T118-G121 PolarHBondContact O-N 3.15Å; T118-L122 HydrophobicContact CG2-CD1 3.7Å; T118-L122 HydrophobicContact CG2-CG 4.13Å; T118-L122 WeakPolarHBondContact O-CB 3.41Å; T118-L122 WeakPolarHBondContact O-CG 3.43Å; T118-L122 PolarHBondContact O-N 3.37Å; T118-M139 HydrophobicContact CG2-CE 4.11Å
119S85.6Confident83.1Confident38 Ų3860.1 Ų60.127%0.26634%0.336SS..Hα-helixtrans-61.1-41.1178.7-175.90000111.8K115 F116 S117 G123 K137K115-S119 VanDerWaalsContact O-CB 3.27Å; K115-S119 WeakPolarHBondContact O-CB 3.19Å; K115-S119 PolarHBondContact O-N 2.85Å; K115-S119 VanDerWaalsContact O-N 3.07Å; F116-S119 WeakPolarHBondContact O-CB 3.41Å; F116-S119 PolarHBondContact O-N 3.28Å; S117-S119 PolarHBondContact O-N 2.75Å; S119-G123 PolarHBondContact O-N 3.14Å; S119-G123 VanDerWaalsContact O-N 3.09Å; S119-K137 WeakPolarHBondContact O-CE 3.21Å; S119-K137 PolarHBondContact O-NZ 2.88Å; S119-K137 PolarHBondContact OG-NZ 2.96Å
120I83.9Confident82.8Confident81 Ų8155.1 Ų55.142%0.41533%0.331SS..Hα-helixtrans-67.7-50.5175.8-68.9173.8000110.5F116 S117 T118 L122 G123 M124F116-I120 HydrophobicContact CD1-CD1 3.86Å; F116-I120 HydrophobicContact CE1-CD1 3.31Å; F116-I120 HydrophobicContact CE1-CG1 4.49Å; F116-I120 HydrophobicContact CE2-CD1 4.09Å; F116-I120 HydrophobicContact CG-CD1 4.47Å; F116-I120 HydrophobicContact CZ-CD1 3.45Å; F116-I120 VanDerWaalsContact CZ-CD1 3.45Å; F116-I120 HydrophobicContact CZ-CG1 4.45Å; F116-I120 PolarHBondContact O-N 3.06Å; S117-I120 PolarHBondContact O-N 3.16Å; T118-I120 VanDerWaalsContact C-N 3.31Å; T118-I120 PolarHBondContact O-N 2.88Å; I120-L122 PolarHBondContact O-N 3.13Å; I120-G123 WeakPolarHBondContact O-CA 3.37Å; I120-G123 PolarHBondContact O-N 3.36Å; I120-M124 HydrophobicContact CG2-CG 4.38Å; I120-M124 HydrophobicContact CG2-SD 4.07Å; I120-M124 WeakPolarHBondContact O-CG 3.45Å; I120-M124 PolarHBondContact O-N 3.06Å
121G85.3Confident82.8Confident20 Ų2051.3 Ų51.321%0.20629%0.291CS..Hα-helixtrans-58.4-47-177.800000112.5L72 S117 T118 G123 M124 Y125L72-G121 WeakPolarHBondContact CD1-O 3.4Å; S117-G121 PolarHBondContact O-N 2.76Å; T118-G121 PolarHBondContact O-N 3.15Å; G121-G123 VanDerWaalsContact C-N 3.33Å; G121-G123 PolarHBondContact O-N 2.91Å; G121-M124 PolarHBondContact O-N 3.46Å; G121-Y125 WeakPolarHBondContact O-CB 3.29Å; G121-Y125 PolarHBondContact O-N 3.02Å
122L85.7Confident82.9Confident2 Ų255.3 Ų55.31%0.0130%0.301CS..Hα-helixtrans-65.5-35174.9-69.5176.8000112.3L69 T118 I120 Y125 D126 K137 M139 Y163L69-L122 HydrophobicContact CD1-CD2 3.76Å; L69-L122 HydrophobicContact CD2-CD2 3.44Å; L69-L122 VanDerWaalsContact CD2-CD2 3.44Å; L69-L122 HydrophobicContact CG-CD2 4.26Å; T118-L122 HydrophobicContact CG2-CD1 3.7Å; T118-L122 HydrophobicContact CG2-CG 4.13Å; T118-L122 WeakPolarHBondContact O-CB 3.41Å; T118-L122 WeakPolarHBondContact O-CG 3.43Å; T118-L122 PolarHBondContact O-N 3.37Å; I120-L122 PolarHBondContact O-N 3.13Å; L122-Y125 WeakPolarHBondContact O-CB 3.39Å; L122-Y125 PolarHBondContact O-N 3.03Å; L122-D126 PolarHBondContact O-N 3.43Å; L122-K137 HydrophobicContact CB-CB 3.9Å; L122-K137 HydrophobicContact CB-CD 3.52Å; L122-K137 HydrophobicContact CB-CG 3.6Å; L122-K137 HydrophobicContact CD1-CB 4.18Å; L122-K137 HydrophobicContact CD1-CD 4.16Å; L122-M139 HydrophobicContact CD1-SD 4.34Å; L122-Y163 HydrophobicContact CD2-CD1 3.84Å; L122-Y163 HydrophobicContact CD2-CD2 4.06Å; L122-Y163 HydrophobicContact CD2-CE1 4.32Å; L122-Y163 HydrophobicContact CD2-CG 3.7Å
123G85.6Confident83.2Confident30 Ų3061.7 Ų61.731%0.30933%0.325SS..Hα-helixtrans-68.2-38.3176.400000112.4S119 I120 G121 R127S119-G123 PolarHBondContact O-N 3.14Å; S119-G123 VanDerWaalsContact O-N 3.09Å; I120-G123 WeakPolarHBondContact O-CA 3.37Å; I120-G123 PolarHBondContact O-N 3.36Å; G121-G123 VanDerWaalsContact C-N 3.33Å; G121-G123 PolarHBondContact O-N 2.91Å; G123-R127 PolarHBondContact O-N 3.07Å
124M82.9Confident83.5Confident83 Ų8363.6 Ų63.641%0.40935%0.345SS..Hα-helixtrans-64.5-44.9171.5-71.4-179.363.700111I77 I120 G121 R127 L128I77-M124 HydrophobicContact CD1-CE 4.48Å; I120-M124 HydrophobicContact CG2-CG 4.38Å; I120-M124 HydrophobicContact CG2-SD 4.07Å; I120-M124 WeakPolarHBondContact O-CG 3.45Å; I120-M124 PolarHBondContact O-N 3.06Å; G121-M124 PolarHBondContact O-N 3.46Å; M124-R127 PolarHBondContact O-N 2.97Å; M124-L128 WeakPolarHBondContact O-CB 3.38Å; M124-L128 VanDerWaalsContact O-CG 3.24Å; M124-L128 WeakPolarHBondContact O-CG 3.07Å; M124-L128 PolarHBondContact O-N 3.48Å
125Y84.7Confident83.9Confident0 Ų063.2 Ų63.20%033%0.334CS..Hα-helixtrans-55.7-54.1174.8175.2-105.9000111.7G67 L69 L72 V80 G121 L122 R127 L128 A129 V131 Y163G67-Y125 WeakPolarHBondContact CA-OH 3.32Å; G67-Y125 WeakPolarHBondContact O-CE2 3.43Å; L69-Y125 HydrophobicContact CB-CD2 4.36Å; L69-Y125 HydrophobicContact CD1-CG 4.27Å; L72-Y125 HydrophobicContact CD1-CD2 4.42Å; V80-Y125 HydrophobicContact CG1-CD2 3.94Å; V80-Y125 HydrophobicContact CG1-CE2 4.44Å; G121-Y125 WeakPolarHBondContact O-CB 3.29Å; G121-Y125 PolarHBondContact O-N 3.02Å; L122-Y125 WeakPolarHBondContact O-CB 3.39Å; L122-Y125 PolarHBondContact O-N 3.03Å; Y125-R127 PolarHBondContact O-N 3.5Å; Y125-L128 PolarHBondContact O-N 2.75Å; Y125-L128 VanDerWaalsContact O-N 3.15Å; Y125-A129 HydrophobicContact CD2-CB 4.23Å; Y125-A129 HydrophobicContact CE2-CB 3.89Å; Y125-A129 VanDerWaalsContact O-CB 3.28Å; Y125-A129 WeakPolarHBondContact O-CB 3.24Å; Y125-A129 PolarHBondContact O-N 3.05Å; Y125-V131 HydrophobicContact CE1-CG2 4.23Å; Y125-Y163 HydrophobicContact CE1-CD2 4.2Å
126D87Confident84.3Confident9 Ų964.4 Ų64.45%0.04834%0.335CS..Hα-helixtrans-54.3-41.2-180-76.8-8.1000112.2L122 G130 V131 R136 K137L122-D126 PolarHBondContact O-N 3.43Å; D126-G130 PolarHBondContact O-N 2.82Å; D126-V131 HydrophobicContact CB-CB 4.18Å; D126-V131 HydrophobicContact CB-CG2 4.4Å; D126-V131 PolarHBondContact O-N 3.42Å; D126-R136 HydrophobicContact CB-CG 4.29Å; D126-R136 WeakPolarHBondContact OD2-CA 3.12Å; D126-R136 WeakPolarHBondContact OD2-CB 3.27Å; D126-K137 WeakPolarHBondContact OD2-CG 3.27Å; D126-K137 PolarHBondContact OD2-N 2.97Å
127R84.7Confident84.8Confident212 Ų21258.8 Ų58.880%0.831%0.311SS*.Hα-helixtrans-69.1-49.2178.6-179.2178.9175.9176.4-1.1111.9G123 M124 Y125 G130G123-R127 PolarHBondContact O-N 3.07Å; M124-R127 PolarHBondContact O-N 2.97Å; Y125-R127 PolarHBondContact O-N 3.5Å; R127-G130 PolarHBondContact O-N 2.94Å
128L83.1Confident85.4Confident43 Ų4361.3 Ų61.323%0.22531%0.314CS..Hα-helixtrans-69.5-41.8-175.4-69.5168.3000111.5L72 I77 V80 A81 M124 Y125 G130L72-L128 HydrophobicContact CD2-CD1 3.77Å; I77-L128 HydrophobicContact CG2-CD1 3.8Å; I77-L128 HydrophobicContact CG2-CD2 3.71Å; I77-L128 HydrophobicContact CG2-CG 4.42Å; V80-L128 HydrophobicContact CG1-CB 4.06Å; V80-L128 HydrophobicContact CG1-CD1 4.32Å; A81-L128 WeakPolarHBondContact CA-O 3.26Å; A81-L128 HydrophobicContact CB-CB 4.41Å; A81-L128 HydrophobicContact CB-CD2 4.35Å; M124-L128 WeakPolarHBondContact O-CB 3.38Å; M124-L128 VanDerWaalsContact O-CG 3.24Å; M124-L128 WeakPolarHBondContact O-CG 3.07Å; M124-L128 PolarHBondContact O-N 3.48Å; Y125-L128 PolarHBondContact O-N 2.75Å; Y125-L128 VanDerWaalsContact O-N 3.15Å; L128-G130 PolarHBondContact O-N 3.36Å
129A80.4Confident85.9Confident1 Ų163.5 Ų63.51%0.00832%0.324CS..THydrogen-bonded Turntrans-83.43.6-178.900000114.1R87 Y125 V131R87-A129 PolarHBondContact NH2-O 3.01Å; Y125-A129 HydrophobicContact CD2-CB 4.23Å; Y125-A129 HydrophobicContact CE2-CB 3.89Å; Y125-A129 VanDerWaalsContact O-CB 3.28Å; Y125-A129 WeakPolarHBondContact O-CB 3.24Å; Y125-A129 PolarHBondContact O-N 3.05Å; A129-V131 VanDerWaalsContact C-N 3.31Å; A129-V131 HydrophobicContact CB-CG2 4.28Å; A129-V131 PolarHBondContact O-N 3.28Å
130G82.9Confident86.5Confident59 Ų5962.4 Ų62.461%0.60832%0.316SS*.THydrogen-bonded Turntrans62.134.3176.500000113.9D126 R127 L128 K132D126-G130 PolarHBondContact O-N 2.82Å; R127-G130 PolarHBondContact O-N 2.94Å; L128-G130 PolarHBondContact O-N 3.36Å; G130-K132 PolarHBondContact O-N 2.91Å
131V81.3Confident87.1Confident5 Ų560.6 Ų60.63%0.0331%0.31CS..  trans-62131.1-177177.60000110.4Y125 D126 A129 E135 R136 V164Y125-V131 HydrophobicContact CE1-CG2 4.23Å; D126-V131 HydrophobicContact CB-CB 4.18Å; D126-V131 HydrophobicContact CB-CG2 4.4Å; D126-V131 PolarHBondContact O-N 3.42Å; A129-V131 VanDerWaalsContact C-N 3.31Å; A129-V131 HydrophobicContact CB-CG2 4.28Å; A129-V131 PolarHBondContact O-N 3.28Å; V131-E135 VanDerWaalsContact CG1-C 3.48Å; V131-E135 HydrophobicContact CG1-CB 3.67Å; V131-E135 WeakPolarHBondContact CG1-O 3.25Å; V131-R136 HydrophobicContact CG1-CG 4.24Å; V131-V164 HydrophobicContact CG1-CG1 4Å
132K84.2Confident87.6Confident107 Ų10764.1 Ų64.147%0.46532%0.32SS..  trans-57.8145.9178.8-64.3177-176.8170.40109.5G130 S134 E135 R136G130-K132 PolarHBondContact O-N 2.91Å; K132-S134 PolarHBondContact O-N 2.72Å; K132-S134 VanDerWaalsContact O-N 3.09Å; K132-E135 HydrophobicContact CB-CB 4.42Å; K132-E135 HydrophobicContact CB-CG 4.37Å; K132-E135 WeakPolarHBondContact CB-OE2 3.18Å; K132-E135 WeakPolarHBondContact O-CA 3.47Å; K132-E135 PolarHBondContact O-N 2.8Å; K132-R136 PolarHBondContact O-N 3.33Å
133K81.9Confident88.2Confident182 Ų18272.4 Ų72.479%0.79136%0.356SS*.G310 helixtrans-54.7-35.7-176.1-170.3179.9177.6-175.70113E135K133-E135 VanDerWaalsContact C-N 3.3Å
134S85.5Confident88.9Confident94 Ų9475.7 Ų75.766%0.65736%0.363SS*.G310 helixtrans-69.1-24.2176.748.40000114.2K132K132-S134 PolarHBondContact O-N 2.72Å; K132-S134 VanDerWaalsContact O-N 3.09Å
135E86.9Confident89.6Confident27 Ų2771.8 Ų71.813%0.12634%0.344CS..G310 helixtrans-1031.3-175.5-66.8170.7165.100112.7V131 K132 K133 V164V131-E135 VanDerWaalsContact CG1-C 3.48Å; V131-E135 HydrophobicContact CG1-CB 3.67Å; V131-E135 WeakPolarHBondContact CG1-O 3.25Å; K132-E135 HydrophobicContact CB-CB 4.42Å; K132-E135 HydrophobicContact CB-CG 4.37Å; K132-E135 WeakPolarHBondContact CB-OE2 3.18Å; K132-E135 WeakPolarHBondContact O-CA 3.47Å; K132-E135 PolarHBondContact O-N 2.8Å; K133-E135 VanDerWaalsContact C-N 3.3Å; E135-V164 HydrophobicContact CB-CB 4.38Å; E135-V164 HydrophobicContact CB-CG1 3.87Å
136R90.1Very high90.2Very high129 Ų12973.5 Ų73.549%0.48735%0.353SS..  trans-63.5151.9179.8-74.5-176.4-177.5-179.8-1111.9D126 V131 K132D126-R136 HydrophobicContact CB-CG 4.29Å; D126-R136 WeakPolarHBondContact OD2-CA 3.12Å; D126-R136 WeakPolarHBondContact OD2-CB 3.27Å; V131-R136 HydrophobicContact CG1-CG 4.24Å; K132-R136 PolarHBondContact O-N 3.33Å
137K92.8Very high90.8Very high45 Ų4577 Ų7720%0.19638%0.383CS..  trans-59.8146.7-17565.7104.6168.7162.60113.4S119 L122 D126 M139 Y162S119-K137 WeakPolarHBondContact O-CE 3.21Å; S119-K137 PolarHBondContact O-NZ 2.88Å; S119-K137 PolarHBondContact OG-NZ 2.96Å; L122-K137 HydrophobicContact CB-CB 3.9Å; L122-K137 HydrophobicContact CB-CD 3.52Å; L122-K137 HydrophobicContact CB-CG 3.6Å; L122-K137 HydrophobicContact CD1-CB 4.18Å; L122-K137 HydrophobicContact CD1-CD 4.16Å; D126-K137 WeakPolarHBondContact OD2-CG 3.27Å; D126-K137 PolarHBondContact OD2-N 2.97Å; K137-M139 HydrophobicContact CD-SD 4.25Å; K137-Y162 CarbonylContact C-O 3.54Å; K137-Y162 WeakPolarHBondContact CA-O 3.47Å
138K94.5Very high91.4Very high114 Ų11471.1 Ų71.150%0.49636%0.363SS..EExtended strand (participates in β ladder)trans-119.5142.1173-59.7176.8-175173.50109.2L140 Y162K138-L140 HydrophobicContact CB-CD2 4.31Å; K138-Y162 PolarHBondContact N-O 2.89Å; K138-Y162 PolarHBondContact O-N 2.92Å
139M95.4Very high92.1Very high52 Ų5269.2 Ų69.226%0.25635%0.353SS..EExtended strand (participates in β ladder)trans-98.9120.4170-61-52.6-56.300108.3M107 K115 T118 L122 K137M107-M139 HydrophobicContact CE-CE 3.54Å; M107-M139 HydrophobicContact SD-CE 4.09Å; K115-M139 HydrophobicContact CG-CE 4.09Å; T118-M139 HydrophobicContact CG2-CE 4.11Å; L122-M139 HydrophobicContact CD1-SD 4.34Å; K137-M139 HydrophobicContact CD-SD 4.25Å
140L97.1Very high93Very high16 Ų1673 Ų738%0.08438%0.378CS..EExtended strand (participates in β ladder)trans-96.8143.4-177.8-54.8-174.6000110.5L104 K138 E144 K148 G159 G160 Y162L104-L140 HydrophobicContact CD1-CD1 3.81Å; K138-L140 HydrophobicContact CB-CD2 4.31Å; L140-E144 HydrophobicContact CB-CB 3.93Å; L140-E144 HydrophobicContact CD2-CB 4.26Å; L140-E144 HydrophobicContact CG-CB 4.49Å; L140-K148 HydrophobicContact CD1-CG 4.03Å; L140-G159 VanDerWaalsContact O-CA 3.31Å; L140-G159 WeakPolarHBondContact O-CA 3.41Å; L140-G160 PolarHBondContact N-O 3.36Å; L140-G160 PolarHBondContact O-N 2.99Å; L140-G160 VanDerWaalsContact O-N 3.13Å; L140-Y162 HydrophobicContact CD1-CD2 4.5Å; L140-Y162 HydrophobicContact CD1-CG 4.29Å
141S97Very high93.7Very high43 Ų4371.7 Ų71.730%0.30136%0.356SS..PPolyproline II helixtrans-67.8168.7163.566.70000111.2K143 E144 T145S141-K143 VanDerWaalsContact C-N 3.27Å; S141-K143 PolarHBondContact O-N 3.38Å; S141-E144 WeakPolarHBondContact CB-OE2 3.39Å; S141-E144 PolarHBondContact N-OE2 3.37Å; S141-E144 PolarHBondContact O-N 3.07Å; S141-E144 WeakPolarHBondContact OG-CG 3.28Å; S141-E144 PolarHBondContact OG-N 3.41Å; S141-E144 PolarHBondContact OG-OE2 3.26Å; S141-T145 WeakPolarHBondContact O-CB 3.31Å; S141-T145 PolarHBondContact O-N 2.99Å; S141-T145 PolarHBondContact O-OG1 3.12Å
142K97.1Very high94.5Very high93 Ų9371.5 Ų71.540%0.40436%0.355SS..Hα-helixtrans-53.6-45.2172.9-176.3-179.1-176.3167.50111.9T145 L146 K154 L157K142-T145 PolarHBondContact O-N 2.92Å; K142-L146 HydrophobicContact CG-CD1 4.21Å; K142-L146 WeakPolarHBondContact O-CG 3.45Å; K142-L146 PolarHBondContact O-N 3.32Å; K142-K154 PolarHBondContact NZ-O 2.98Å; K142-L157 WeakPolarHBondContact CD-O 3.41Å; K142-L157 HydrophobicContact CG-CB 4.43Å; K142-L157 HydrophobicContact CG-CD2 4Å; K142-L157 HydrophobicContact CG-CG 4.15Å
143K98.2Very high95.1Very high177 Ų17768 Ų6877%0.7734%0.34SS*.Hα-helixtrans-63.4-47.3-179.7-176-178.8177.2-177.90111.4S141 T145 L146 A147S141-K143 VanDerWaalsContact C-N 3.27Å; S141-K143 PolarHBondContact O-N 3.38Å; K143-T145 VanDerWaalsContact C-N 3.32Å; K143-T145 PolarHBondContact O-N 3.35Å; K143-L146 PolarHBondContact O-N 3.34Å; K143-A147 WeakPolarHBondContact O-CB 3.27Å; K143-A147 PolarHBondContact O-N 3.34Å
144E98.6Very high95.9Very high99 Ų9965.6 Ų65.646%0.46333%0.33SS..Hα-helixtrans-66.3-34.7178.7-69.2162127.400112.3L140 S141 A147 K148L140-E144 HydrophobicContact CB-CB 3.93Å; L140-E144 HydrophobicContact CD2-CB 4.26Å; L140-E144 HydrophobicContact CG-CB 4.49Å; S141-E144 WeakPolarHBondContact CB-OE2 3.39Å; S141-E144 PolarHBondContact N-OE2 3.37Å; S141-E144 PolarHBondContact O-N 3.07Å; S141-E144 WeakPolarHBondContact OG-CG 3.28Å; S141-E144 PolarHBondContact OG-N 3.41Å; S141-E144 PolarHBondContact OG-OE2 3.26Å; E144-A147 PolarHBondContact O-N 2.71Å; E144-K148 WeakPolarHBondContact O-CG 3.45Å; E144-K148 PolarHBondContact O-N 2.89Å; E144-K148 VanDerWaalsContact O-N 3.13Å
145T98.4Very high96.4Very high0 Ų068.8 Ų68.80%033%0.334CS..Hα-helixtrans-64.5-48176.4-550000111L104 P106 S141 K142 K143 A147 K148 E149 L157 G159 G160L104-T145 HydrophobicContact CD1-CG2 4.22Å; L104-T145 HydrophobicContact CD2-CG2 4.09Å; L104-T145 HydrophobicContact CG-CG2 4.48Å; P106-T145 HydrophobicContact CB-CG2 4.46Å; S141-T145 WeakPolarHBondContact O-CB 3.31Å; S141-T145 PolarHBondContact O-N 2.99Å; S141-T145 PolarHBondContact O-OG1 3.12Å; K142-T145 PolarHBondContact O-N 2.92Å; K143-T145 VanDerWaalsContact C-N 3.32Å; K143-T145 PolarHBondContact O-N 3.35Å; T145-A147 VanDerWaalsContact C-N 3.29Å; T145-A147 PolarHBondContact O-N 3.12Å; T145-K148 WeakPolarHBondContact O-CB 3.4Å; T145-K148 PolarHBondContact O-N 2.9Å; T145-K148 VanDerWaalsContact O-N 3.11Å; T145-E149 PolarHBondContact O-N 2.95Å; T145-L157 HydrophobicContact CG2-CD1 4.23Å; T145-L157 HydrophobicContact CG2-CD2 4.12Å; T145-G159 WeakPolarHBondContact OG1-CA 3.4Å; T145-G160 PolarHBondContact OG1-N 3.48Å
146L98.4Very high96.7Very high36 Ų3669.2 Ų69.219%0.18835%0.346CS..Hα-helixtrans-70.8-24.4177.5-68.8172.1000113.2K142 K143 K148 E149 P150 K154 L157K142-L146 HydrophobicContact CG-CD1 4.21Å; K142-L146 WeakPolarHBondContact O-CG 3.45Å; K142-L146 PolarHBondContact O-N 3.32Å; K143-L146 PolarHBondContact O-N 3.34Å; L146-K148 VanDerWaalsContact C-N 3.29Å; L146-E149 CarbonylContact O-C 3.5Å; L146-P150 WeakPolarHBondContact O-CA 3.43Å; L146-P150 WeakPolarHBondContact O-CG 3.39Å; L146-K154 HydrophobicContact CD1-CG 4.21Å; L146-K154 HydrophobicContact CD2-CG 3.89Å; L146-L157 HydrophobicContact CD1-CD2 4.21Å; L146-L157 HydrophobicContact CD2-CD2 3.73Å; L146-L157 HydrophobicContact CG-CD2 3.69Å
147A98.3Very high97Very high82 Ų8263.5 Ų63.568%0.67833%0.325SS*.Hα-helixtrans-71.3-26.917100000112.2K143 E144 T145K143-A147 WeakPolarHBondContact O-CB 3.27Å; K143-A147 PolarHBondContact O-N 3.34Å; E144-A147 PolarHBondContact O-N 2.71Å; T145-A147 VanDerWaalsContact C-N 3.29Å; T145-A147 PolarHBondContact O-N 3.12Å
148K97.8Very high97.1Very high90 Ų9066.9 Ų66.939%0.39134%0.339SS..Hα-helixtrans-79-46174.2-76.2-68.4-173.9173.50112.3L104 L140 E144 T145 L146 Y162 Q268L104-K148 HydrophobicContact CD2-CB 4.12Å; L140-K148 HydrophobicContact CD1-CG 4.03Å; E144-K148 WeakPolarHBondContact O-CG 3.45Å; E144-K148 PolarHBondContact O-N 2.89Å; E144-K148 VanDerWaalsContact O-N 3.13Å; T145-K148 WeakPolarHBondContact O-CB 3.4Å; T145-K148 PolarHBondContact O-N 2.9Å; T145-K148 VanDerWaalsContact O-N 3.11Å; L146-K148 VanDerWaalsContact C-N 3.29Å; K148-Y162 HydrophobicContact CD-CE2 4.35Å; K148-Y162 PolarHBondContact NZ-OH 3.37Å; K148-Q268 HydrophobicContact CB-CG 4.43Å
149E98.2Very high97.2Very high3 Ų361.5 Ų61.51%0.01432%0.316CS..  trans-140.697.4177.5-171.139.9-96.400110.6L104 T145 L146 L151 V152 L266 G267 Q268 V270 F324L104-E149 HydrophobicContact CD2-CB 3.88Å; T145-E149 PolarHBondContact O-N 2.95Å; L146-E149 CarbonylContact O-C 3.5Å; E149-L151 HydrophobicContact CG-CB 4.48Å; E149-L151 PolarHBondContact O-N 3.25Å; E149-L151 VanDerWaalsContact OE1-CB 3.25Å; E149-L151 WeakPolarHBondContact OE1-CB 3.11Å; E149-L151 VanDerWaalsContact OE1-CG 3.25Å; E149-L151 WeakPolarHBondContact OE1-CG 3.23Å; E149-L151 PolarHBondContact OE1-N 3.1Å; E149-V152 HydrophobicContact CB-CG2 3.95Å; E149-V152 HydrophobicContact CG-CG2 3.85Å; E149-V152 PolarHBondContact O-N 3.12Å; E149-L266 HydrophobicContact CG-CD1 4.14Å; E149-G267 PolarHBondContact OE2-N 2.58Å; E149-Q268 HydrophobicContact CB-CB 4.01Å; E149-Q268 HydrophobicContact CB-CG 4.29Å; E149-Q268 HydrophobicContact CG-CB 4.45Å; E149-Q268 PolarHBondContact OE2-N 3.46Å; E149-V270 HydrophobicContact CB-CG2 4.44Å; E149-V270 HydrophobicContact CG-CG2 4.07Å; E149-F324 HydrophobicContact CG-CE1 4.25Å
150P98.2Very high97.2Very high81 Ų8159 Ų5953%0.52630%0.304SS..THydrogen-bonded Turntrans-64.5-22.4-179-22.833.8000114.5L146 V152L146-P150 WeakPolarHBondContact O-CA 3.43Å; L146-P150 WeakPolarHBondContact O-CG 3.39Å; P150-V152 VanDerWaalsContact C-N 3.31Å
151L98.3Very high97.1Very high30 Ų3058.2 Ų58.216%0.15730%0.3CS..THydrogen-bonded Turntrans-73.7-21.3-179-60.4176.9000112.6E149 K153 F264 P265 F324 V327E149-L151 HydrophobicContact CG-CB 4.48Å; E149-L151 PolarHBondContact O-N 3.25Å; E149-L151 VanDerWaalsContact OE1-CB 3.25Å; E149-L151 WeakPolarHBondContact OE1-CB 3.11Å; E149-L151 VanDerWaalsContact OE1-CG 3.25Å; E149-L151 WeakPolarHBondContact OE1-CG 3.23Å; E149-L151 PolarHBondContact OE1-N 3.1Å; L151-K153 PolarHBondContact O-N 3.36Å; L151-F264 HydrophobicContact CD1-CD2 3.96Å; L151-F264 HydrophobicContact CD1-CE2 3.92Å; L151-P265 HydrophobicContact CD1-CG 4.13Å; L151-F324 HydrophobicContact CB-CD1 3.74Å; L151-F324 WeakPolarHBondContact O-CA 3.42Å; L151-V327 HydrophobicContact CD1-CG2 4.1Å; L151-V327 HydrophobicContact CD2-CG2 4.2Å
152V98.2Very high97Very high1 Ų157.1 Ų57.11%0.00629%0.289CS..SBendtrans-56.8134.9179.21660000110.7P106 E149 P150 K154 L157 V270 M323 F324P106-V152 HydrophobicContact CB-CG1 3.82Å; P106-V152 HydrophobicContact CG-CG1 4.3Å; P106-V152 HydrophobicContact CG-CG2 4.47Å; E149-V152 HydrophobicContact CB-CG2 3.95Å; E149-V152 HydrophobicContact CG-CG2 3.85Å; E149-V152 PolarHBondContact O-N 3.12Å; P150-V152 VanDerWaalsContact C-N 3.31Å; V152-K154 PolarHBondContact O-N 3.19Å; V152-K154 VanDerWaalsContact O-N 3.14Å; V152-L157 HydrophobicContact CG1-CD1 4.21Å; V152-L157 HydrophobicContact CG1-CD2 4.26Å; V152-V270 HydrophobicContact CG2-CG2 4.42Å; V152-M323 CarbonylContact C-O 3.6Å; V152-M323 HydrophobicContact CG1-SD 4.17Å; V152-F324 HydrophobicContact CG2-CE1 3.94Å
153K97.1Very high96.8Very high33 Ų3352.7 Ų52.714%0.14327%0.27CS..  trans-48.2119.6177.2179.117263.6179.50111H108 L151 E155 Y322 M323 P325H108-K153 PolarHBondContact NE2-O 3.15Å; L151-K153 PolarHBondContact O-N 3.36Å; K153-E155 HydrophobicContact CG-CB 4.34Å; K153-Y322 WeakPolarHBondContact CD-O 3.48Å; K153-Y322 PolarHBondContact NZ-OH 2.63Å; K153-Y322 VanDerWaalsContact NZ-OH 3.11Å; K153-M323 WeakPolarHBondContact CB-O 3.17Å; K153-M323 PolarHBondContact N-O 3.27Å; K153-P325 HydrophobicContact CB-CG 4.21Å; K153-P325 HydrophobicContact CG-CG 4.29Å
154K97.5Very high96.4Very high133 Ų13344.2 Ų44.258%0.57823%0.233SC*.  trans-80.9-31.3-175.1-63.5174.8-175.9171.20113.2K142 L146 V152 L157K142-K154 PolarHBondContact NZ-O 2.98Å; L146-K154 HydrophobicContact CD1-CG 4.21Å; L146-K154 HydrophobicContact CD2-CG 3.89Å; V152-K154 PolarHBondContact O-N 3.19Å; V152-K154 VanDerWaalsContact O-N 3.14Å; K154-L157 PolarHBondContact O-N 3.37Å
155E95.6Very high96Very high161 Ų16139.5 Ų39.575%0.75221%0.211SC*.THydrogen-bonded Turntrans-64.5131.2178.6-175.9175.9-176.800110H108 K153 L157H108-E155 PolarHBondContact CD2-O 2.67Å; H108-E155 VanDerWaalsContact CD2-O 3.25Å; K153-E155 HydrophobicContact CG-CB 4.34Å; E155-L157 PolarHBondContact O-N 2.92Å
156G94.2Very high95.7Very high36 Ų3639.8 Ų39.837%0.37121%0.212SC..THydrogen-bonded Turntrans70.4-7179.300000116.2H108 K109 K158H108-G156 CarbonylContact C-O 3.46Å; H108-G156 WeakPolarHBondContact CA-O 3.28Å; K109-G156 PolarHBondContact N-O 3.35Å; G156-K158 PolarHBondContact O-N 3.05Å
157L96.4Very high95.5Very high8 Ų841 Ų414%0.04221%0.214CC..EExtended strand (participates in β ladder)trans-63.4126.4-178.4-176.567000112.1P106 K142 T145 L146 V152 K154 E155 G159P106-L157 HydrophobicContact CB-CD1 3.97Å; K142-L157 WeakPolarHBondContact CD-O 3.41Å; K142-L157 HydrophobicContact CG-CB 4.43Å; K142-L157 HydrophobicContact CG-CD2 4Å; K142-L157 HydrophobicContact CG-CG 4.15Å; T145-L157 HydrophobicContact CG2-CD1 4.23Å; T145-L157 HydrophobicContact CG2-CD2 4.12Å; L146-L157 HydrophobicContact CD1-CD2 4.21Å; L146-L157 HydrophobicContact CD2-CD2 3.73Å; L146-L157 HydrophobicContact CG-CD2 3.69Å; V152-L157 HydrophobicContact CG1-CD1 4.21Å; V152-L157 HydrophobicContact CG1-CD2 4.26Å; K154-L157 PolarHBondContact O-N 3.37Å; E155-L157 PolarHBondContact O-N 2.92Å; L157-G159 WeakPolarHBondContact CD1-O 3.25Å
158K95.2Very high95.4Very high117 Ų11737.3 Ų37.351%0.50918%0.183SC..EExtended strand (participates in β ladder)trans-104.5-18.2179.8-63.1-177.9176.9175.90113.5M107 G156M107-K158 WeakPolarHBondContact O-CB 3.34Å; M107-K158 PolarHBondContact O-N 2.84Å; G156-K158 PolarHBondContact O-N 3.05Å
159G95.7Very high95.3Very high0 Ų034.1 Ų34.10%017%0.171CC..EExtended strand (participates in β ladder)trans145.7-161.8-174.900000111.1M107 L140 T145 L157M107-G159 PolarHBondContact N-O 3.32Å; L140-G159 VanDerWaalsContact O-CA 3.31Å; L140-G159 WeakPolarHBondContact O-CA 3.41Å; T145-G159 WeakPolarHBondContact OG1-CA 3.4Å; L157-G159 WeakPolarHBondContact CD1-O 3.25Å
160G96.1Very high95.3Very high0 Ų034 Ų340%017%0.17CC..EExtended strand (participates in β ladder)trans-150.1150.7-176.800000113.1L105 L140 T145L105-G160 CarbonylContact O-C 3.51Å; L105-G160 WeakPolarHBondContact O-CA 3.45Å; L140-G160 PolarHBondContact N-O 3.36Å; L140-G160 PolarHBondContact O-N 2.99Å; L140-G160 VanDerWaalsContact O-N 3.13Å; T145-G160 PolarHBondContact OG1-N 3.48Å
161G94.7Very high95.2Very high0 Ų030.3 Ų30.30%015%0.146CC..EExtended strand (participates in β ladder)trans-89.7135.216200000109.2L105L105-G161 PolarHBondContact N-O 2.96Å; L105-G161 PolarHBondContact O-N 2.92Å
162Y95.2Very high95.2Very high19 Ų1929 Ų298%0.07514%0.139CC..EExtended strand (participates in β ladder)trans-124.8116.6180-171.4-113.6000108.9W102 M103 L104 K137 K138 L140 K148W102-Y162 HydrophobicContact CB-CE1 4.15Å; W102-Y162 HydrophobicContact CB-CE2 3.7Å; W102-Y162 VanDerWaalsContact CB-CZ 3.41Å; W102-Y162 WeakPolarHBondContact CB-OH 3.41Å; W102-Y162 HydrophobicContact CD2-CD1 4.26Å; W102-Y162 AromaticContact CD2-CE1 3.53Å; W102-Y162 HydrophobicContact CD2-CE1 3.53Å; W102-Y162 AromaticContact CD2-CZ 3.76Å; W102-Y162 AromaticContact CE3-CD1 3.49Å; W102-Y162 HydrophobicContact CE3-CD1 3.49Å; W102-Y162 VanDerWaalsContact CE3-CD1 3.49Å; W102-Y162 AromaticContact CE3-CE1 3.22Å; W102-Y162 HydrophobicContact CE3-CE1 3.22Å; W102-Y162 HydrophobicContact CE3-CE2 4.39Å; W102-Y162 HydrophobicContact CE3-CG 4.19Å; W102-Y162 AromaticContact CE3-CZ 3.76Å; W102-Y162 AromaticContact CG-CE1 3.94Å; W102-Y162 HydrophobicContact CG-CE1 3.94Å; W102-Y162 HydrophobicContact CG-CE2 4.38Å; W102-Y162 AromaticContact CG-CZ 3.64Å; W102-Y162 AromaticContact CZ3-CD1 3.78Å; W102-Y162 HydrophobicContact CZ3-CD1 3.78Å; W102-Y162 AromaticContact CZ3-CE1 3.81Å; W102-Y162 HydrophobicContact CZ3-CE1 3.81Å; M103-Y162 WeakPolarHBondContact O-CA 3.41Å; L104-Y162 HydrophobicContact CB-CD2 4.47Å; L104-Y162 HydrophobicContact CD1-CD2 4.26Å; K137-Y162 CarbonylContact C-O 3.54Å; K137-Y162 WeakPolarHBondContact CA-O 3.47Å; K138-Y162 PolarHBondContact N-O 2.89Å; K138-Y162 PolarHBondContact O-N 2.92Å; L140-Y162 HydrophobicContact CD1-CD2 4.5Å; L140-Y162 HydrophobicContact CD1-CG 4.29Å; K148-Y162 HydrophobicContact CD-CE2 4.35Å; K148-Y162 PolarHBondContact NZ-OH 3.37Å
163Y92.8Very high95.3Very high0 Ų029 Ų290%014%0.139CC..EExtended strand (participates in β ladder)trans-148.9165.1-168.570.6-75000110.7L69 M103 L105 L122 Y125 E165L69-Y163 HydrophobicContact CD2-CD2 4.35Å; L69-Y163 HydrophobicContact CD2-CE1 3.98Å; L69-Y163 HydrophobicContact CD2-CE2 3.66Å; L69-Y163 VanDerWaalsContact CD2-CZ 3.46Å; M103-Y163 HydrophobicContact CB-CD1 4.13Å; M103-Y163 HydrophobicContact CB-CE1 3.67Å; M103-Y163 HydrophobicContact CB-CE2 4.25Å; M103-Y163 HydrophobicContact CG-CE1 3.66Å; M103-Y163 WeakPolarHBondContact CG-OH 3.17Å; M103-Y163 PolarHBondContact N-O 2.9Å; M103-Y163 WeakPolarHBondContact O-CD1 3.42Å; M103-Y163 PolarHBondContact O-N 3.01Å; L105-Y163 HydrophobicContact CB-CE1 4.18Å; L122-Y163 HydrophobicContact CD2-CD1 3.84Å; L122-Y163 HydrophobicContact CD2-CD2 4.06Å; L122-Y163 HydrophobicContact CD2-CE1 4.32Å; L122-Y163 HydrophobicContact CD2-CG 3.7Å; Y125-Y163 HydrophobicContact CE1-CD2 4.2Å; Y163-E165 HydrophobicContact CD2-CG 4.32Å; Y163-E165 HydrophobicContact CE2-CG 3.57Å; Y163-E165 WeakPolarHBondContact CE2-OE1 3.36Å
164V90.1Very high95.3Very high0 Ų027.4 Ų27.40%013%0.132CC..EExtended strand (participates in β ladder)trans-94.5126.9-178.475.40000111.6P100 V131 E135 Y166P100-V164 HydrophobicContact CB-CG2 3.79Å; V131-V164 HydrophobicContact CG1-CG1 4Å; E135-V164 HydrophobicContact CB-CB 4.38Å; E135-V164 HydrophobicContact CB-CG1 3.87Å; V164-Y166 HydrophobicContact CG1-CE2 4.26Å; V164-Y166 HydrophobicContact CG2-CD2 4.48Å; V164-Y166 HydrophobicContact CG2-CE2 4.05Å
165E90.1Very high95.4Very high0 Ų021.1 Ų21.10%011%0.105CC..EExtended strand (participates in β ladder)trans-109-178.5158-73.3-71.6178.900108.2H66 G67 E101 M103 Y163H66-E165 WeakPolarHBondContact CA-OE2 3.3Å; H66-E165 IonicContact CE1-OE1 2.6Å; H66-E165 PolarHBondContact CE1-OE1 3.04Å; H66-E165 IonicContact CE1-OE2 3.7Å; H66-E165 IonicContact CG-OE2 3.77Å; H66-E165 IonicContact ND1-OE1 2.61Å; H66-E165 PolarHBondContact ND1-OE1 3.19Å; H66-E165 IonicContact ND1-OE2 2.88Å; H66-E165 PolarHBondContact ND1-OE2 3.43Å; G67-E165 PolarHBondContact N-OE2 3.22Å; G67-E165 VanDerWaalsContact N-OE2 3.11Å; E101-E165 PolarHBondContact N-O 3.16Å; E101-E165 CarbonylContact O-C 3.56Å; E101-E165 PolarHBondContact O-N 3.41Å; M103-E165 HydrophobicContact CB-CG 4.21Å; M103-E165 HydrophobicContact CE-CB 4.45Å; Y163-E165 HydrophobicContact CD2-CG 4.32Å; Y163-E165 HydrophobicContact CE2-CG 3.57Å; Y163-E165 WeakPolarHBondContact CE2-OE1 3.36Å
166Y92.7Very high95.6Very high5 Ų513.4 Ų13.42%0.027%0.069CC..EExtended strand (participates in β ladder)trans-129.6129.5177.9-77.8-107.7000108.6L64 V65 R87 Y91 T98 T99 P100 V164L64-Y166 CarbonylContact C-O 3.51Å; L64-Y166 VanDerWaalsContact CA-O 3.22Å; L64-Y166 WeakPolarHBondContact CA-O 3.49Å; L64-Y166 WeakPolarHBondContact CD2-O 3.21Å; V65-Y166 PolarHBondContact N-O 2.95Å; R87-Y166 VanDerWaalsContact CD-CD2 3.47Å; R87-Y166 HydrophobicContact CG-CD2 3.9Å; R87-Y166 HydrophobicContact CG-CE2 4.34Å; R87-Y166 HydrophobicContact CG-CG 4.13Å; Y91-Y166 HydrophobicContact CD1-CD1 4.49Å; Y91-Y166 AromaticContact CD1-CE1 3.53Å; Y91-Y166 HydrophobicContact CD1-CE1 3.53Å; Y91-Y166 HydrophobicContact CD2-CD1 4.38Å; Y91-Y166 HydrophobicContact CD2-CE1 4.1Å; Y91-Y166 AromaticContact CE1-CE1 3.92Å; Y91-Y166 HydrophobicContact CE1-CE1 3.92Å; Y91-Y166 HydrophobicContact CE2-CE1 4.45Å; Y91-Y166 HydrophobicContact CG-CD1 4.15Å; Y91-Y166 AromaticContact CG-CE1 3.62Å; Y91-Y166 HydrophobicContact CG-CE1 3.62Å; T98-Y166 HydrophobicContact CG2-CD1 3.87Å; T98-Y166 HydrophobicContact CG2-CG 4.39Å; T99-Y166 CarbonylContact O-C 3.5Å; T99-Y166 VanDerWaalsContact O-CA 3.29Å; T99-Y166 WeakPolarHBondContact O-CA 3.14Å; P100-Y166 HydrophobicContact CB-CD1 4.28Å; P100-Y166 HydrophobicContact CB-CE1 3.89Å; P100-Y166 HydrophobicContact CG-CE1 4.5Å; V164-Y166 HydrophobicContact CG1-CE2 4.26Å; V164-Y166 HydrophobicContact CG2-CD2 4.48Å; V164-Y166 HydrophobicContact CG2-CE2 4.05Å
167R93.9Very high95.8Very high61 Ų6111.7 Ų11.723%0.235%0.051CC..EExtended strand (participates in β ladder)trans-89.2151.1172.6-169.7175.363.6-156.5-9109.3K63 L64 T98 T99 E101 P285K63-R167 WeakPolarHBondContact O-CA 3.38Å; K63-R167 VanDerWaalsContact O-CG 3.31Å; K63-R167 WeakPolarHBondContact O-CG 3.47Å; L64-R167 HydrophobicContact CD2-CB 4.32Å; T98-R167 WeakPolarHBondContact CA-O 3.5Å; T99-R167 PolarHBondContact N-O 3.1Å; T99-R167 PolarHBondContact O-N 3.41Å; E101-R167 HydrophobicContact CB-CB 4.16Å; E101-R167 IonicContact OE2-CZ 2.73Å; E101-R167 IonicContact OE2-NH1 2.97Å; R167-P285 PolarHBondContact NH1-O 2.79Å
168T95.6Very high95.9Very high6 Ų611.3 Ų11.34%0.0375%0.049CC..EExtended strand (participates in β ladder)trans-148.1161.1174.5-171.40000111.2K63 V65 V97 L376K63-T168 CarbonylContact C-O 3.3Å; K63-T168 VanDerWaalsContact CB-O 3.3Å; K63-T168 WeakPolarHBondContact CB-O 3.46Å; K63-T168 PolarHBondContact O-N 2.76Å; K63-T168 VanDerWaalsContact O-O 3.12Å; V65-T168 HydrophobicContact CG2-CG2 3.62Å; V97-T168 WeakPolarHBondContact O-CA 3.4Å; V97-T168 VanDerWaalsContact O-CB 3.27Å; V97-T168 WeakPolarHBondContact O-CB 3.46Å; V97-T168 PolarHBondContact O-OG1 3.46Å; T168-L376 HydrophobicContact CG2-CD2 4.42Å
169D96Very high96.1Very high23 Ų236.1 Ų6.112%0.1233%0.026CC..  trans-92.4108.7156.5-170.7-51.6000108.2V97 A171 R172 L173 R286V97-D169 HydrophobicContact CG1-CB 4.43Å; V97-D169 WeakPolarHBondContact CG1-O 3.14Å; V97-D169 PolarHBondContact O-N 2.84Å; D169-A171 PolarHBondContact OD1-N 3.19Å; D169-R172 HydrophobicContact CB-CB 3.68Å; D169-R172 PolarHBondContact O-N 2.99Å; D169-R172 WeakPolarHBondContact OD1-CB 3.48Å; D169-R172 PolarHBondContact OD1-N 3.23Å; D169-L173 WeakPolarHBondContact O-CB 3.27Å; D169-L173 PolarHBondContact O-N 3.02Å; D169-R286 IonicContact OD2-CZ 2.61Å; D169-R286 IonicContact OD2-NH1 2.8Å; D169-R286 IonicContact OD2-NH2 3.87Å; D169-R286 PolarHBondContact OD2-NH2 3.36Å
170D97Very high96.2Very high1 Ų17 Ų71%0.0053%0.03CC..Hα-helixtrans-70.1-37.3-169.557.1-9.2000112.8S58 S59 R60 S61 K63 T174 L376S58-D170 CarbonylContact O-C 3.46Å; S58-D170 WeakPolarHBondContact O-CB 3.46Å; S59-D170 WeakPolarHBondContact CA-OD1 3.38Å; R60-D170 PolarHBondContact N-OD2 2.73Å; S61-D170 VanDerWaalsContact CB-OD2 3.24Å; S61-D170 WeakPolarHBondContact CB-OD2 3.4Å; S61-D170 PolarHBondContact N-OD2 3.4Å; S61-D170 PolarHBondContact OG-OD2 3.12Å; K63-D170 HydrophobicContact CD-CB 4.39Å; K63-D170 WeakPolarHBondContact CD-OD1 3.19Å; K63-D170 WeakPolarHBondContact CE-OD1 3.46Å; K63-D170 VanDerWaalsContact NZ-CG 3.33Å; K63-D170 IonicContact NZ-OD1 2.89Å; K63-D170 PolarHBondContact NZ-OD1 2.75Å; K63-D170 IonicContact NZ-OD2 3.85Å; K63-D170 PolarHBondContact NZ-OD2 2.86Å; D170-T174 PolarHBondContact O-N 3.23Å; D170-T174 VanDerWaalsContact O-N 3.14Å; D170-T174 PolarHBondContact O-OG1 3.18Å; D170-L376 HydrophobicContact CB-CD1 3.56Å
171A98.1Very high96.3Very high3 Ų37 Ų73%0.0253%0.03CC..Hα-helixtrans-64.2-52.1171.300000110.4A54 S58 D169 L173 T174 I175 R498A54-A171 HydrophobicContact CB-CB 4.4Å; S58-A171 PolarHBondContact O-N 2.54Å; D169-A171 PolarHBondContact OD1-N 3.19Å; A171-L173 VanDerWaalsContact C-N 3.31Å; A171-L173 PolarHBondContact O-N 2.92Å; A171-T174 WeakPolarHBondContact O-CA 3.32Å; A171-T174 WeakPolarHBondContact O-CB 3.11Å; A171-T174 PolarHBondContact O-N 3.26Å; A171-I175 WeakPolarHBondContact O-CG1 3.48Å; A171-I175 PolarHBondContact O-N 3.13Å; A171-R498 HydrophobicContact CB-CB 4Å; A171-R498 HydrophobicContact CB-CG 4.2Å; A171-R498 WeakPolarHBondContact CB-O 3.27Å
172R98.1Very high96.5Very high3 Ų37.1 Ų7.11%0.0113%0.031CC..Hα-helixtrans-56.7-43.9177.7-178.753.556.3-159.95.9111.8V97 D169 T174 I175 E176 Y451 E487 R499V97-R172 HydrophobicContact CB-CG 4.44Å; V97-R172 HydrophobicContact CG1-CB 3.87Å; V97-R172 HydrophobicContact CG1-CG 3.7Å; V97-R172 HydrophobicContact CG2-CG 3.87Å; D169-R172 HydrophobicContact CB-CB 3.68Å; D169-R172 PolarHBondContact O-N 2.99Å; D169-R172 WeakPolarHBondContact OD1-CB 3.48Å; D169-R172 PolarHBondContact OD1-N 3.23Å; R172-T174 VanDerWaalsContact C-N 3.28Å; R172-T174 PolarHBondContact O-N 2.96Å; R172-I175 PolarHBondContact O-N 3Å; R172-I175 VanDerWaalsContact O-N 3.14Å; R172-E176 WeakPolarHBondContact CD-OE1 3.25Å; R172-E176 HydrophobicContact CG-CG 4.3Å; R172-E176 IonicContact CZ-OE1 3.61Å; R172-E176 IonicContact NE-OE1 3.01Å; R172-E176 IonicContact NH1-OE1 3.9Å; R172-E176 PolarHBondContact NH1-OE1 2.93Å; R172-E176 WeakPolarHBondContact O-CG 3.5Å; R172-E176 PolarHBondContact O-N 3.29Å; R172-Y451 PolarHBondContact NH2-OH 2.68Å; R172-E487 IonicContact CZ-OE1 2.71Å; R172-E487 IonicContact CZ-OE2 2.75Å; R172-E487 IonicContact NH1-OE1 3.93Å; R172-E487 PolarHBondContact NH1-OE1 3.03Å; R172-E487 IonicContact NH1-OE2 3.39Å; R172-E487 PolarHBondContact NH1-OE2 2.79Å; R172-E487 VanDerWaalsContact NH1-OE2 3.13Å; R172-E487 IonicContact NH2-OE1 3.7Å; R172-E487 IonicContact NH2-OE2 3.59Å; R172-E487 PolarHBondContact NH2-OE2 2.95Å; R172-R499 PolarHBondContact NH2-O 3.03Å
173L98.6Very high96.7Very high0 Ų010.2 Ų10.20%05%0.046CC..Hα-helixtrans-57.8-45.9177.1175.565.8000110.4I29 V90 V97 D169 A171 V177 L376 Y379 I412I29-L173 HydrophobicContact CD1-CD2 4.22Å; I29-L173 HydrophobicContact CD1-CG 4.01Å; V90-L173 HydrophobicContact CG1-CD1 4.08Å; V90-L173 HydrophobicContact CG1-CD2 4.27Å; V97-L173 HydrophobicContact CG1-CB 3.83Å; D169-L173 WeakPolarHBondContact O-CB 3.27Å; D169-L173 PolarHBondContact O-N 3.02Å; A171-L173 VanDerWaalsContact C-N 3.31Å; A171-L173 PolarHBondContact O-N 2.92Å; L173-V177 HydrophobicContact CD1-CG2 4.36Å; L173-V177 WeakPolarHBondContact O-CG2 3.35Å; L173-V177 PolarHBondContact O-N 3.43Å; L173-V177 VanDerWaalsContact O-N 3.08Å; L173-L376 HydrophobicContact CD2-CD1 4.34Å; L173-L376 HydrophobicContact CD2-CD2 3.48Å; L173-L376 VanDerWaalsContact CD2-CD2 3.48Å; L173-L376 HydrophobicContact CD2-CG 4Å; L173-Y379 HydrophobicContact CD2-CE1 4.49Å; L173-I412 HydrophobicContact CD1-CD1 3.75Å
174T98.8Very high96.9Very high0 Ų014.2 Ų14.20%06%0.064CC..Hα-helixtrans-62.4-43.5177.9-54.80000111.5I29 A32 A54 D170 A171 R172 V177 M178I29-T174 HydrophobicContact CB-CG2 4.45Å; A32-T174 HydrophobicContact CB-CG2 4.17Å; A54-T174 HydrophobicContact CB-CG2 3.78Å; D170-T174 PolarHBondContact O-N 3.23Å; D170-T174 VanDerWaalsContact O-N 3.14Å; D170-T174 PolarHBondContact O-OG1 3.18Å; A171-T174 WeakPolarHBondContact O-CA 3.32Å; A171-T174 WeakPolarHBondContact O-CB 3.11Å; A171-T174 PolarHBondContact O-N 3.26Å; R172-T174 VanDerWaalsContact C-N 3.28Å; R172-T174 PolarHBondContact O-N 2.96Å; T174-V177 PolarHBondContact O-N 3.04Å; T174-M178 WeakPolarHBondContact O-CB 3.38Å; T174-M178 PolarHBondContact O-N 3.43Å
175I98.8Very high97.3Very high0 Ų016.5 Ų16.50%09%0.087CC..Hα-helixtrans-65.5-44.6179-64.9-56.4000111.7F53 A171 R172 V177 M178 K179 E487F53-I175 HydrophobicContact CB-CD1 3.47Å; F53-I175 VanDerWaalsContact CB-CD1 3.47Å; F53-I175 HydrophobicContact CD2-CD1 4.1Å; F53-I175 HydrophobicContact CG-CD1 4.23Å; A171-I175 WeakPolarHBondContact O-CG1 3.48Å; A171-I175 PolarHBondContact O-N 3.13Å; R172-I175 PolarHBondContact O-N 3Å; R172-I175 VanDerWaalsContact O-N 3.14Å; I175-V177 VanDerWaalsContact C-N 3.33Å; I175-V177 PolarHBondContact O-N 3.45Å; I175-M178 CarbonylContact O-C 3.46Å; I175-M178 WeakPolarHBondContact O-CB 3.33Å; I175-M178 PolarHBondContact O-N 3.08Å; I175-M178 VanDerWaalsContact O-N 3.14Å; I175-K179 HydrophobicContact CG2-CD 3.62Å; I175-K179 HydrophobicContact CG2-CG 4.25Å; I175-K179 WeakPolarHBondContact O-CB 3.33Å; I175-K179 VanDerWaalsContact O-CG 3.3Å; I175-K179 WeakPolarHBondContact O-CG 3.33Å; I175-K179 PolarHBondContact O-N 2.98Å; I175-E487 HydrophobicContact CG2-CB 4.09Å; I175-E487 HydrophobicContact CG2-CG 4.26Å
176E98.8Very high97.7Very high0 Ų016.6 Ų16.60%09%0.088CC..Hα-helixtrans-67.5-33.4179.6-65.1-42.1140.400112.8V97 R172 K179 R180 I412 S413 N454V97-E176 HydrophobicContact CG2-CG 4.06Å; R172-E176 WeakPolarHBondContact CD-OE1 3.25Å; R172-E176 HydrophobicContact CG-CG 4.3Å; R172-E176 IonicContact CZ-OE1 3.61Å; R172-E176 IonicContact NE-OE1 3.01Å; R172-E176 IonicContact NH1-OE1 3.9Å; R172-E176 PolarHBondContact NH1-OE1 2.93Å; R172-E176 WeakPolarHBondContact O-CG 3.5Å; R172-E176 PolarHBondContact O-N 3.29Å; E176-K179 IonicContact OE1-NZ 3.31Å; E176-K179 PolarHBondContact OE1-NZ 3.18Å; E176-K179 WeakPolarHBondContact OE2-CE 3.37Å; E176-K179 IonicContact OE2-NZ 3.96Å; E176-K179 PolarHBondContact OE2-NZ 3.3Å; E176-R180 PolarHBondContact O-N 2.78Å; E176-R180 VanDerWaalsContact O-N 3.08Å; E176-I412 HydrophobicContact CB-CB 4.21Å; E176-I412 HydrophobicContact CB-CD1 3.76Å; E176-I412 HydrophobicContact CB-CG1 3.97Å; E176-S413 WeakPolarHBondContact CB-O 3.46Å; E176-S413 WeakPolarHBondContact CG-O 3.42Å; E176-S413 WeakPolarHBondContact O-CB 3.25Å; E176-S413 PolarHBondContact O-N 2.84Å; E176-S413 VanDerWaalsContact O-N 3.09Å; E176-S413 WeakPolarHBondContact OE2-CB 3.34Å; E176-S413 PolarHBondContact OE2-OG 2.64Å; E176-N454 PolarHBondContact OE2-ND2 3.03Å
177V98.9Very high98Very high0 Ų017 Ų170%09%0.09CC..Hα-helixtrans-65.7-44.9169.8174.50000110.4I29 A32 L36 L173 T174 I175 K179 R180 A181 Y379 I412I29-V177 HydrophobicContact CD1-CG2 4.24Å; A32-V177 HydrophobicContact CB-CB 4.15Å; A32-V177 HydrophobicContact CB-CG1 3.72Å; A32-V177 WeakPolarHBondContact O-CG1 3.37Å; L36-V177 HydrophobicContact CB-CG1 4.16Å; L36-V177 HydrophobicContact CD2-CG1 3.95Å; L173-V177 HydrophobicContact CD1-CG2 4.36Å; L173-V177 WeakPolarHBondContact O-CG2 3.35Å; L173-V177 PolarHBondContact O-N 3.43Å; L173-V177 VanDerWaalsContact O-N 3.08Å; T174-V177 PolarHBondContact O-N 3.04Å; I175-V177 VanDerWaalsContact C-N 3.33Å; I175-V177 PolarHBondContact O-N 3.45Å; V177-K179 PolarHBondContact O-N 3.2Å; V177-R180 PolarHBondContact O-N 3Å; V177-A181 PolarHBondContact O-N 3.01Å; V177-Y379 HydrophobicContact CG1-CE2 3.89Å; V177-Y379 HydrophobicContact CG2-CE1 4.41Å; V177-Y379 HydrophobicContact CG2-CE2 3.78Å; V177-Y379 WeakPolarHBondContact CG2-OH 3.36Å; V177-I412 HydrophobicContact CG2-CB 4.41Å; V177-I412 HydrophobicContact CG2-CG2 3.63Å
178M98.7Very high98.2Very high0 Ų014.2 Ų14.20%08%0.08CC..Hα-helixtrans-63-41.2178.9-162.969.780.200112L3 A32 L47 F53 T174 I175 A181 A182 I188L3-M178 HydrophobicContact CD2-CB 4.24Å; L3-M178 HydrophobicContact CD2-CG 3.85Å; A32-M178 HydrophobicContact CB-CB 4.36Å; A32-M178 HydrophobicContact CB-CE 3.65Å; A32-M178 HydrophobicContact CB-SD 4.06Å; L47-M178 HydrophobicContact CD1-CE 4.02Å; L47-M178 HydrophobicContact CD1-SD 4Å; L47-M178 HydrophobicContact CD2-CE 4.11Å; L47-M178 HydrophobicContact CD2-SD 4.38Å; F53-M178 HydrophobicContact CD1-CE 3.85Å; F53-M178 HydrophobicContact CE1-CE 4.24Å; F53-M178 HydrophobicContact CG-CE 4.42Å; T174-M178 WeakPolarHBondContact O-CB 3.38Å; T174-M178 PolarHBondContact O-N 3.43Å; I175-M178 CarbonylContact O-C 3.46Å; I175-M178 WeakPolarHBondContact O-CB 3.33Å; I175-M178 PolarHBondContact O-N 3.08Å; I175-M178 VanDerWaalsContact O-N 3.14Å; M178-A181 WeakPolarHBondContact O-CB 3.34Å; M178-A181 PolarHBondContact O-N 3.03Å; M178-A182 PolarHBondContact O-N 3Å; M178-I188 HydrophobicContact CE-CG2 4.43Å; M178-I188 HydrophobicContact CG-CD1 3.8Å; M178-I188 HydrophobicContact CG-CG2 3.78Å; M178-I188 WeakPolarHBondContact O-CD1 3.4Å; M178-I188 HydrophobicContact SD-CD1 3.57Å; M178-I188 VanDerWaalsContact SD-CD1 3.57Å; M178-I188 HydrophobicContact SD-CG1 4.4Å; M178-I188 HydrophobicContact SD-CG2 3.49Å; M178-I188 WeakPolarHBondContact SD-CG2 3.2Å
179K98.8Very high98.4Very high7 Ų714 Ų143%0.038%0.078CC..Hα-helixtrans-63.9-45.7176.1-75.1163.468.1-170.20111.4L3 I175 E176 V177 A181 A182 E183 N454 Y482 E487L3-K179 HydrophobicContact CB-CG 4.18Å; L3-K179 HydrophobicContact CD2-CG 4.01Å; I175-K179 HydrophobicContact CG2-CD 3.62Å; I175-K179 HydrophobicContact CG2-CG 4.25Å; I175-K179 WeakPolarHBondContact O-CB 3.33Å; I175-K179 VanDerWaalsContact O-CG 3.3Å; I175-K179 WeakPolarHBondContact O-CG 3.33Å; I175-K179 PolarHBondContact O-N 2.98Å; E176-K179 IonicContact OE1-NZ 3.31Å; E176-K179 PolarHBondContact OE1-NZ 3.18Å; E176-K179 WeakPolarHBondContact OE2-CE 3.37Å; E176-K179 IonicContact OE2-NZ 3.96Å; E176-K179 PolarHBondContact OE2-NZ 3.3Å; V177-K179 PolarHBondContact O-N 3.2Å; K179-A181 VanDerWaalsContact C-N 3.26Å; K179-A181 PolarHBondContact O-N 3.23Å; K179-A182 CarbonylContact O-C 3.37Å; K179-A182 WeakPolarHBondContact O-CB 3.36Å; K179-A182 PolarHBondContact O-N 3.34Å; K179-A182 VanDerWaalsContact O-N 3.08Å; K179-E183 VanDerWaalsContact O-CG 3.32Å; K179-E183 WeakPolarHBondContact O-CG 3.35Å; K179-E183 PolarHBondContact O-N 3.4Å; K179-N454 PolarHBondContact NZ-ND2 2.72Å; K179-Y482 PolarHBondContact NZ-OH 2.89Å; K179-E487 HydrophobicContact CD-CG 4.12Å; K179-E487 IonicContact NZ-OE1 3.83Å; K179-E487 PolarHBondContact NZ-OE1 2.91Å
180R98.7Very high98.5Very high18 Ų1812.9 Ų12.97%0.0687%0.072CC..Hα-helixtrans-59.9-37.3173.7-173.958.348.4119.2-15.7111.5L36 E176 V177 E183 K184 L410 A411 I412 D416L36-R180 HydrophobicContact CD1-CB 4.01Å; L36-R180 HydrophobicContact CD1-CG 3.5Å; L36-R180 VanDerWaalsContact CD1-CG 3.5Å; L36-R180 HydrophobicContact CD2-CG 4.34Å; E176-R180 PolarHBondContact O-N 2.78Å; E176-R180 VanDerWaalsContact O-N 3.08Å; V177-R180 PolarHBondContact O-N 3Å; R180-E183 WeakPolarHBondContact CD-OE2 3.47Å; R180-E183 IonicContact CZ-OE2 3.8Å; R180-E183 IonicContact NE-OE2 2.9Å; R180-E183 PolarHBondContact NE-OE2 3.46Å; R180-E183 IonicContact NH2-OE2 2.85Å; R180-E183 PolarHBondContact NH2-OE2 3.31Å; R180-E183 WeakPolarHBondContact O-CB 3.23Å; R180-E183 PolarHBondContact O-N 3.24Å; R180-K184 VanDerWaalsContact O-CG 3.26Å; R180-K184 WeakPolarHBondContact O-CG 3.26Å; R180-K184 PolarHBondContact O-N 2.95Å; R180-L410 HydrophobicContact CG-CD2 4.39Å; R180-L410 HydrophobicContact CG-CG 4.47Å; R180-A411 VanDerWaalsContact CZ-O 3.23Å; R180-A411 PolarHBondContact NE-O 2.78Å; R180-A411 PolarHBondContact NH1-O 2.88Å; R180-I412 PolarHBondContact NH2-O 3.12Å; R180-D416 IonicContact CZ-OD1 3.13Å; R180-D416 IonicContact CZ-OD2 2.93Å; R180-D416 IonicContact NH1-OD1 3.68Å; R180-D416 PolarHBondContact NH1-OD1 2.84Å; R180-D416 IonicContact NH1-OD2 3.52Å; R180-D416 IonicContact NH2-OD1 3.01Å; R180-D416 IonicContact NH2-OD2 3.02Å; R180-D416 PolarHBondContact NH2-OD2 3.01Å
181A98.9Very high98.6Very high0 Ų013.5 Ų13.50%08%0.075CC..Hα-helixtrans-63.2-43.3173.300000112.4A35 L36 V177 M178 K179 K184 G185 A186 I188A35-A181 HydrophobicContact CB-CB 3.9Å; L36-A181 HydrophobicContact CB-CB 4.02Å; V177-A181 PolarHBondContact O-N 3.01Å; M178-A181 WeakPolarHBondContact O-CB 3.34Å; M178-A181 PolarHBondContact O-N 3.03Å; K179-A181 VanDerWaalsContact C-N 3.26Å; K179-A181 PolarHBondContact O-N 3.23Å; A181-K184 CarbonylContact O-C 3.49Å; A181-K184 PolarHBondContact O-N 2.87Å; A181-G185 PolarHBondContact O-N 2.87Å; A181-A186 HydrophobicContact CB-CB 4.21Å; A181-A186 WeakPolarHBondContact O-CB 3.4Å; A181-A186 PolarHBondContact O-N 3.35Å; A181-I188 HydrophobicContact CB-CD1 3.88Å
182A98.7Very high98.6Very high4 Ų413.3 Ų13.33%0.0337%0.073CC..Hα-helixtrans-66-37175.500000112.4M1 L3 M178 K179 K184 G185 I188M1-A182 PolarHBondContact N-O 3.45Å; M1-A182 CarbonylContact O-C 3.47Å; M1-A182 VanDerWaalsContact O-C 3.28Å; M1-A182 WeakPolarHBondContact O-CB 3.1Å; L3-A182 HydrophobicContact CB-CB 4.21Å; L3-A182 HydrophobicContact CD1-CB 4.22Å; M178-A182 PolarHBondContact O-N 3Å; K179-A182 CarbonylContact O-C 3.37Å; K179-A182 WeakPolarHBondContact O-CB 3.36Å; K179-A182 PolarHBondContact O-N 3.34Å; K179-A182 VanDerWaalsContact O-N 3.08Å; A182-K184 VanDerWaalsContact C-N 3.26Å; A182-K184 PolarHBondContact O-N 3.22Å; A182-G185 PolarHBondContact O-N 3Å; A182-I188 HydrophobicContact CB-CD1 4.07Å
183E98.1Very high98.6Very high84 Ų8417 Ų1739%0.3939%0.09SC..Hα-helixtrans-57.4-40.5170.9-71.5161.7-153.500111.1K179 R180 G185 S413K179-E183 VanDerWaalsContact O-CG 3.32Å; K179-E183 WeakPolarHBondContact O-CG 3.35Å; K179-E183 PolarHBondContact O-N 3.4Å; R180-E183 WeakPolarHBondContact CD-OE2 3.47Å; R180-E183 IonicContact CZ-OE2 3.8Å; R180-E183 IonicContact NE-OE2 2.9Å; R180-E183 PolarHBondContact NE-OE2 3.46Å; R180-E183 IonicContact NH2-OE2 2.85Å; R180-E183 PolarHBondContact NH2-OE2 3.31Å; R180-E183 WeakPolarHBondContact O-CB 3.23Å; R180-E183 PolarHBondContact O-N 3.24Å; E183-G185 PolarHBondContact O-N 2.92Å; E183-S413 VanDerWaalsContact OE1-CB 3.32Å; E183-S413 WeakPolarHBondContact OE1-CB 3.28Å; E183-S413 PolarHBondContact OE1-OG 3.02Å
184K98Very high98.6Very high83 Ų8317.9 Ų17.936%0.36110%0.095SC..THydrogen-bonded Turntrans-78.52.8174.8-62-63.1179.2154.70114.9L36 S39 E40 R180 A181 A182L36-K184 HydrophobicContact CD1-CG 4.41Å; S39-K184 WeakPolarHBondContact OG-CB 3.48Å; E40-K184 IonicContact OE1-NZ 3.22Å; E40-K184 WeakPolarHBondContact OE2-CD 3.48Å; E40-K184 WeakPolarHBondContact OE2-CE 3.38Å; E40-K184 IonicContact OE2-NZ 2.69Å; E40-K184 PolarHBondContact OE2-NZ 2.72Å; R180-K184 VanDerWaalsContact O-CG 3.26Å; R180-K184 WeakPolarHBondContact O-CG 3.26Å; R180-K184 PolarHBondContact O-N 2.95Å; A181-K184 CarbonylContact O-C 3.49Å; A181-K184 PolarHBondContact O-N 2.87Å; A182-K184 VanDerWaalsContact C-N 3.26Å; A182-K184 PolarHBondContact O-N 3.22Å
185G97.7Very high98.5Very high48 Ų4821.4 Ų21.450%0.49511%0.112SC..THydrogen-bonded Turntrans96.59.3170.400000115.4A181 A182 E183A181-G185 PolarHBondContact O-N 2.87Å; A182-G185 PolarHBondContact O-N 3Å; E183-G185 PolarHBondContact O-N 2.92Å
186A98.7Very high98.4Very high2 Ų226.4 Ų26.42%0.01714%0.135CC..  trans-64.9138.4167.800000110.6V45 A181 I188V45-A186 HydrophobicContact CB-CB 4.06Å; V45-A186 HydrophobicContact CG1-CB 4.18Å; A181-A186 HydrophobicContact CB-CB 4.21Å; A181-A186 WeakPolarHBondContact O-CB 3.4Å; A181-A186 PolarHBondContact O-N 3.35Å; A186-I188 HydrophobicContact CB-CD1 3.94Å; A186-I188 HydrophobicContact CB-CG1 3.88Å
187E98.7Very high98.3Very high15 Ų1527.1 Ų27.17%0.0714%0.138CC..EExtended strand (participates in β ladder)trans-94.2113.7172.2-64.8-156.5171.400110.2I11 N14 L15 Y20 V45 A46 L47I11-E187 HydrophobicContact CG2-CB 4.38Å; N14-E187 VanDerWaalsContact CB-CD 3.41Å; N14-E187 WeakPolarHBondContact CB-OE1 3.42Å; N14-E187 WeakPolarHBondContact CB-OE2 3.17Å; N14-E187 PolarHBondContact ND2-OE1 2.74Å; L15-E187 HydrophobicContact CD2-CB 4.01Å; L15-E187 PolarHBondContact N-OE2 3.43Å; Y20-E187 HydrophobicContact CE1-CB 4.28Å; Y20-E187 HydrophobicContact CE1-CG 4.26Å; Y20-E187 PolarHBondContact OH-OE2 2.93Å; V45-E187 PolarHBondContact O-N 2.8Å; A46-E187 CarbonylContact C-O 3.58Å; A46-E187 VanDerWaalsContact CA-O 3.26Å; A46-E187 WeakPolarHBondContact CA-O 3.26Å; L47-E187 PolarHBondContact N-O 2.67Å
188I98.8Very high98.3Very high2 Ų228.3 Ų28.31%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-127.9131.6-165.1-50.4-179.5000108L3 L47 F53 M178 A181 A182 A186 M488L3-I188 HydrophobicContact CD1-CB 3.8Å; L3-I188 HydrophobicContact CD1-CG2 4.08Å; L47-I188 HydrophobicContact CB-CG1 4.33Å; L47-I188 HydrophobicContact CB-CG2 4.15Å; L47-I188 HydrophobicContact CD2-CG2 3.79Å; L47-I188 HydrophobicContact CG-CG2 4.44Å; F53-I188 HydrophobicContact CE1-CG2 3.56Å; F53-I188 HydrophobicContact CE2-CG2 4.46Å; F53-I188 HydrophobicContact CZ-CG2 3.46Å; F53-I188 VanDerWaalsContact CZ-CG2 3.46Å; M178-I188 HydrophobicContact CE-CG2 4.43Å; M178-I188 HydrophobicContact CG-CD1 3.8Å; M178-I188 HydrophobicContact CG-CG2 3.78Å; M178-I188 WeakPolarHBondContact O-CD1 3.4Å; M178-I188 HydrophobicContact SD-CD1 3.57Å; M178-I188 VanDerWaalsContact SD-CD1 3.57Å; M178-I188 HydrophobicContact SD-CG1 4.4Å; M178-I188 HydrophobicContact SD-CG2 3.49Å; M178-I188 WeakPolarHBondContact SD-CG2 3.2Å; A181-I188 HydrophobicContact CB-CD1 3.88Å; A182-I188 HydrophobicContact CB-CD1 4.07Å; A186-I188 HydrophobicContact CB-CD1 3.94Å; A186-I188 HydrophobicContact CB-CG1 3.88Å; I188-M488 WeakPolarHBondContact O-CE 3.44Å
189I98.7Very high98.3Very high0 Ų032 Ų320%016%0.16CC..EExtended strand (participates in β ladder)trans-142.9127.4179.1-164.3165.4000111.8I11 K12 L15 L47 V48 E49 T192 M488I11-I189 HydrophobicContact CG2-CB 4.17Å; I11-I189 HydrophobicContact CG2-CD1 4.37Å; K12-I189 HydrophobicContact CD-CD1 4.15Å; K12-I189 HydrophobicContact CG-CD1 3.47Å; K12-I189 VanDerWaalsContact CG-CD1 3.47Å; L15-I189 HydrophobicContact CD1-CB 4.37Å; L15-I189 HydrophobicContact CD1-CG2 3.57Å; L47-I189 PolarHBondContact O-N 2.84Å; V48-I189 HydrophobicContact CG1-CG2 3.98Å; E49-I189 PolarHBondContact N-O 3.41Å; I189-T192 HydrophobicContact CG2-CG2 4.14Å; I189-T192 WeakPolarHBondContact CG2-OG1 3.5Å; I189-M488 HydrophobicContact CG1-SD 4.41Å
190N98.7Very high98.2Very high0 Ų034 Ų340%017%0.171CC..SBendtrans-86170.5169.568-7.7000110.9R8 E49 Q51 D52 F53 T192 M488R8-N190 PolarHBondContact NH1-O 2.84Å; R8-N190 PolarHBondContact NH1-OD1 3.4Å; R8-N190 PolarHBondContact NH2-O 2.87Å; E49-N190 CarbonylContact O-C 3.52Å; E49-N190 VanDerWaalsContact O-C 3.3Å; E49-N190 WeakPolarHBondContact O-CA 3.48Å; Q51-N190 WeakPolarHBondContact O-CB 3.37Å; D52-N190 PolarHBondContact OD1-ND2 2.81Å; F53-N190 HydrophobicContact CD1-CB 3.99Å; F53-N190 HydrophobicContact CD2-CB 4.21Å; F53-N190 HydrophobicContact CE1-CB 3.7Å; F53-N190 HydrophobicContact CE2-CB 3.94Å; F53-N190 HydrophobicContact CG-CB 4.23Å; F53-N190 HydrophobicContact CZ-CB 3.67Å; N190-T192 PolarHBondContact O-N 3.34Å; N190-T192 PolarHBondContact O-OG1 2.83Å; N190-M488 PolarHBondContact ND2-O 3.47Å
191Y98.7Very high98.1Very high14 Ų1442.4 Ų42.46%0.05521%0.208CC..SBendtrans52.635.6-173.3-59.8-76000113.8E49 Q51 D52 D212 K213 L214 K491 D494E49-Y191 CarbonylContact O-C 3.59Å; E49-Y191 WeakPolarHBondContact O-CA 3.47Å; E49-Y191 PolarHBondContact O-N 3.31Å; Q51-Y191 PolarHBondContact O-N 3.19Å; D52-Y191 HydrophobicContact CB-CE2 4.07Å; Y191-D212 CarbonylContact O-C 3.53Å; Y191-D212 WeakPolarHBondContact O-CA 3.37Å; Y191-K213 PolarHBondContact O-N 3.11Å; Y191-L214 HydrophobicContact CD1-CD2 4.06Å; Y191-L214 HydrophobicContact CD2-CD1 4.19Å; Y191-L214 HydrophobicContact CD2-CD2 4.1Å; Y191-L214 HydrophobicContact CD2-CG 4.36Å; Y191-L214 HydrophobicContact CG-CD1 4.29Å; Y191-L214 HydrophobicContact CG-CD2 3.77Å; Y191-L214 HydrophobicContact CG-CG 4Å; Y191-K491 HydrophobicContact CE1-CD 4.13Å; Y191-K491 HydrophobicContact CE1-CG 4.49Å; Y191-K491 HydrophobicContact CE2-CG 4.41Å; Y191-K491 WeakPolarHBondContact OH-CD 3.41Å; Y191-K491 WeakPolarHBondContact OH-CG 3.27Å; Y191-D494 WeakPolarHBondContact CE2-OD2 3.26Å; Y191-D494 VanDerWaalsContact OH-CG 3.23Å; Y191-D494 PolarHBondContact OH-OD1 3.01Å; Y191-D494 PolarHBondContact OH-OD2 3.48Å; Y191-D494 VanDerWaalsContact OH-OD2 3.13Å
192T98.8Very high97.9Very high0 Ų047.3 Ų47.30%023%0.234CC..EExtended strand (participates in β ladder)trans-130105.3177.5-60.40000108.8V48 E49 M50 I189 N190 V210 I211 Y219V48-T192 HydrophobicContact CB-CG2 4.05Å; V48-T192 HydrophobicContact CG1-CG2 3.8Å; E49-T192 CarbonylContact C-O 3.58Å; E49-T192 CarbonylContact O-C 3.56Å; E49-T192 PolarHBondContact O-N 3.49Å; M50-T192 PolarHBondContact N-O 3.19Å; I189-T192 HydrophobicContact CG2-CG2 4.14Å; I189-T192 WeakPolarHBondContact CG2-OG1 3.5Å; N190-T192 PolarHBondContact O-N 3.34Å; N190-T192 PolarHBondContact O-OG1 2.83Å; T192-V210 HydrophobicContact CG2-CB 3.67Å; T192-V210 HydrophobicContact CG2-CG1 4.25Å; T192-V210 HydrophobicContact CG2-CG2 3.64Å; T192-I211 CarbonylContact C-O 3.48Å; T192-I211 WeakPolarHBondContact CA-O 3.31Å; T192-Y219 WeakPolarHBondContact CG2-OH 3.36Å
193K98.6Very high97.8Very high81 Ų8152.7 Ų52.735%0.35226%0.259SS..EExtended strand (participates in β ladder)trans-91.4127.8-175.3-177.9-175.3175.6-164.10110.5M50 V210 I211 K213M50-K193 HydrophobicContact CB-CB 3.56Å; M50-K193 HydrophobicContact CB-CD 4.49Å; M50-K193 HydrophobicContact CB-CG 3.75Å; M50-K193 HydrophobicContact SD-CG 4.46Å; K193-V210 CarbonylContact O-C 3.58Å; K193-V210 WeakPolarHBondContact O-CA 3.47Å; K193-V210 WeakPolarHBondContact O-CB 3.23Å; K193-I211 HydrophobicContact CB-CG2 3.88Å; K193-I211 PolarHBondContact N-O 2.87Å; K193-I211 PolarHBondContact O-N 3.48Å; K193-K213 HydrophobicContact CB-CD 4.1Å; K193-K213 HydrophobicContact CB-CG 4.2Å
194S98.5Very high97.8Very high17 Ų1751.6 Ų51.612%0.11925%0.254CS..EExtended strand (participates in β ladder)trans-71.6123.7164.2-178.60000110.5
195E96.2Very high97.8Very high74 Ų7448 Ų4835%0.34624%0.238SC..EExtended strand (participates in β ladder)trans-106.5-41.9-178.9-60.6-156.9124.300112.9K209 I211E195-K209 PolarHBondContact N-O 3.06Å; E195-I211 VanDerWaalsContact CD-CG2 3.49Å; E195-I211 HydrophobicContact CG-CB 4.42Å; E195-I211 HydrophobicContact CG-CG2 3.72Å
196H95.8Very high97.8Very high106 Ų10648 Ų4849%0.49123%0.227SC..EExtended strand (participates in β ladder)trans-142.1154-177.2-59.5-63.8000111.4V208 K209H196-V208 CarbonylContact O-C 3.52Å; H196-V208 WeakPolarHBondContact O-CA 3.46Å; H196-K209 HydrophobicContact CB-CB 4.29Å; H196-K209 HydrophobicContact CB-CD 4.43Å; H196-K209 PolarHBondContact N-O 3.38Å; H196-K209 PolarHBondContact O-N 2.68Å
197F98.3Very high97.8Very high15 Ų1547.9 Ų47.97%0.06623%0.226CC..EExtended strand (participates in β ladder)trans-85153.2169.2-60.4-69.3000111.2I25 Y199 V205 V208 V226 V237 D241 L368I25-F197 HydrophobicContact CD1-CE1 3.74Å; I25-F197 HydrophobicContact CD1-CZ 4.28Å; F197-Y199 HydrophobicContact CB-CE1 4.3Å; F197-Y199 HydrophobicContact CB-CE2 4.01Å; F197-V205 HydrophobicContact CB-CG1 4.12Å; F197-V205 HydrophobicContact CB-CG2 4.25Å; F197-V205 HydrophobicContact CD1-CG1 3.78Å; F197-V205 HydrophobicContact CD1-CG2 4.48Å; F197-V205 HydrophobicContact CG-CG1 4.21Å; F197-V205 HydrophobicContact CG-CG2 4.3Å; F197-V208 HydrophobicContact CD1-CG1 3.9Å; F197-V208 HydrophobicContact CE1-CG1 4.17Å; F197-V226 HydrophobicContact CD1-CG1 4.4Å; F197-V226 HydrophobicContact CE1-CG1 4Å; F197-V237 VanDerWaalsContact CE2-O 3.3Å; F197-V237 WeakPolarHBondContact CE2-O 3.39Å; F197-V237 HydrophobicContact CZ-CG1 3.76Å; F197-D241 HydrophobicContact CD2-CB 3.86Å; F197-D241 HydrophobicContact CE2-CB 3.75Å; F197-L368 HydrophobicContact CE1-CD1 3.75Å; F197-L368 HydrophobicContact CE1-CD2 4.19Å; F197-L368 HydrophobicContact CE2-CD2 3.89Å; F197-L368 HydrophobicContact CZ-CD1 3.94Å; F197-L368 HydrophobicContact CZ-CD2 3.56Å; F197-L368 HydrophobicContact CZ-CG 4.41Å
198T98.4Very high97.8Very high25 Ų2547.1 Ų47.115%0.15322%0.223CC..EExtended strand (participates in β ladder)trans-103.7152.4162.660.60000109.7V205 N206 G207 K209 T220T198-V205 WeakPolarHBondContact O-CA 3.42Å; T198-N206 WeakPolarHBondContact CB-OD1 3.25Å; T198-N206 PolarHBondContact O-N 3.11Å; T198-N206 PolarHBondContact O-OD1 2.75Å; T198-N206 VanDerWaalsContact O-OD1 3.06Å; T198-N206 PolarHBondContact OG1-OD1 2.96Å; T198-G207 PolarHBondContact N-O 2.72Å; T198-G207 VanDerWaalsContact OG1-C 3.25Å; T198-G207 WeakPolarHBondContact OG1-CA 3.22Å; T198-G207 PolarHBondContact OG1-N 3.26Å; T198-G207 PolarHBondContact OG1-O 3.31Å; T198-K209 HydrophobicContact CG2-CG 4.02Å; T198-T220 HydrophobicContact CG2-CG2 3.82Å
199Y98.5Very high97.8Very high77 Ų7752.2 Ų52.230%0.30225%0.245SC..EExtended strand (participates in β ladder)trans-127.9149.5-175.3-57.7-85000111.6F197 Q204 V205 N206 D241 Y242F197-Y199 HydrophobicContact CB-CE1 4.3Å; F197-Y199 HydrophobicContact CB-CE2 4.01Å; Y199-Q204 CarbonylContact C-O 3.6Å; Y199-Q204 VanDerWaalsContact CA-O 3.25Å; Y199-Q204 WeakPolarHBondContact CA-O 3.48Å; Y199-V205 HydrophobicContact CD1-CG2 3.98Å; Y199-V205 HydrophobicContact CE1-CG2 3.52Å; Y199-N206 PolarHBondContact N-OD1 3.09Å; Y199-D241 WeakPolarHBondContact CE1-OD1 3.44Å; Y199-D241 WeakPolarHBondContact OH-CA 3.43Å; Y199-D241 PolarHBondContact OH-OD1 3.32Å; Y199-Y242 HydrophobicContact CD1-CD1 4.15Å; Y199-Y242 AromaticContact CD1-CE1 3.83Å; Y199-Y242 HydrophobicContact CD1-CE1 3.83Å; Y199-Y242 AromaticContact CE1-CD1 3.46Å; Y199-Y242 HydrophobicContact CE1-CD1 3.46Å; Y199-Y242 VanDerWaalsContact CE1-CD1 3.46Å; Y199-Y242 AromaticContact CE1-CE1 3.46Å; Y199-Y242 HydrophobicContact CE1-CE1 3.46Å; Y199-Y242 VanDerWaalsContact CE1-CE1 3.46Å; Y199-Y242 HydrophobicContact CE2-CD1 4.4Å; Y199-Y242 AromaticContact CZ-CD1 3.61Å; Y199-Y242 PolarHBondContact OH-N 3.23Å
200D96.9Very high97.8Very high49 Ų4952.2 Ų52.226%0.26225%0.245SC..  trans-82.8-178.8168.780.6-2.5000112N202 Q203 Q204 N206D200-N202 PolarHBondContact O-N 2.89Å; D200-N202 VanDerWaalsContact O-N 3.15Å; D200-N202 VanDerWaalsContact OD1-C 3.27Å; D200-N202 VanDerWaalsContact OD1-CA 3.26Å; D200-N202 WeakPolarHBondContact OD1-CA 3.35Å; D200-N202 WeakPolarHBondContact OD1-CB 3.25Å; D200-N202 PolarHBondContact OD1-N 3.26Å; D200-Q203 PolarHBondContact O-N 3.44Å; D200-Q203 PolarHBondContact OD1-N 3.42Å; D200-Q203 VanDerWaalsContact OD1-N 3.12Å; D200-Q204 PolarHBondContact N-O 2.8Å; D200-Q204 PolarHBondContact OD1-N 3.42Å; D200-N206 HydrophobicContact CB-CB 4.48Å
201K96.1Very high97.8Very high194 Ų19453.1 Ų53.184%0.84325%0.249SC*.THydrogen-bonded Turntrans-62.2-18.217865.5179.8-179.4-179.60114.5
202N95.5Very high97.8Very high104 Ų10452.5 Ų52.556%0.55625%0.247SC*.THydrogen-bonded Turntrans-99.313.1178.1-56.9-44.1000111.8D200 Q204D200-N202 PolarHBondContact O-N 2.89Å; D200-N202 VanDerWaalsContact O-N 3.15Å; D200-N202 VanDerWaalsContact OD1-C 3.27Å; D200-N202 VanDerWaalsContact OD1-CA 3.26Å; D200-N202 WeakPolarHBondContact OD1-CA 3.35Å; D200-N202 WeakPolarHBondContact OD1-CB 3.25Å; D200-N202 PolarHBondContact OD1-N 3.26Å; N202-Q204 HydrophobicContact CB-CG 4.24Å; N202-Q204 PolarHBondContact O-N 3.47Å
203Q96.2Very high97.8Very high117 Ų11757 Ų5755%0.54727%0.267SS..SBendtrans60.623.8-175.9-54.217364.700113.3D200 Y242D200-Q203 PolarHBondContact O-N 3.44Å; D200-Q203 PolarHBondContact OD1-N 3.42Å; D200-Q203 VanDerWaalsContact OD1-N 3.12Å; Q203-Y242 HydrophobicContact CB-CE1 4.05Å; Q203-Y242 VanDerWaalsContact CB-OH 3.28Å; Q203-Y242 WeakPolarHBondContact CB-OH 3.38Å; Q203-Y242 WeakPolarHBondContact O-CE1 3.31Å; Q203-Y242 PolarHBondContact O-OH 2.87Å
204Q97.8Very high97.7Very high60 Ų6054.7 Ų54.728%0.2826%0.258SS..  trans-86.5138.1172.8-58.6-59.1-71.300110.1Y199 D200 N202 N206 K365 S366Y199-Q204 CarbonylContact C-O 3.6Å; Y199-Q204 VanDerWaalsContact CA-O 3.25Å; Y199-Q204 WeakPolarHBondContact CA-O 3.48Å; D200-Q204 PolarHBondContact N-O 2.8Å; D200-Q204 PolarHBondContact OD1-N 3.42Å; N202-Q204 HydrophobicContact CB-CG 4.24Å; N202-Q204 PolarHBondContact O-N 3.47Å; Q204-N206 PolarHBondContact O-N 2.8Å; Q204-K365 PolarHBondContact NE2-O 2.78Å; Q204-K365 VanDerWaalsContact NE2-O 3.09Å; Q204-S366 CarbonylContact C-O 3.37Å; Q204-S366 VanDerWaalsContact CA-O 3.25Å; Q204-S366 WeakPolarHBondContact CA-O 3.42Å; Q204-S366 PolarHBondContact OE1-O 3.19Å
205V98.2Very high97.5Very high7 Ų757.3 Ų57.34%0.04227%0.273CS..EExtended strand (participates in β ladder)trans-61.6127175.9179.20000109.3F197 T198 Y199 V226 S366 L368F197-V205 HydrophobicContact CB-CG1 4.12Å; F197-V205 HydrophobicContact CB-CG2 4.25Å; F197-V205 HydrophobicContact CD1-CG1 3.78Å; F197-V205 HydrophobicContact CD1-CG2 4.48Å; F197-V205 HydrophobicContact CG-CG1 4.21Å; F197-V205 HydrophobicContact CG-CG2 4.3Å; T198-V205 WeakPolarHBondContact O-CA 3.42Å; Y199-V205 HydrophobicContact CD1-CG2 3.98Å; Y199-V205 HydrophobicContact CE1-CG2 3.52Å; V205-V226 HydrophobicContact CB-CG2 4.48Å; V205-V226 HydrophobicContact CG1-CB 3.86Å; V205-V226 HydrophobicContact CG1-CG2 3.32Å; V205-S366 PolarHBondContact N-O 3.25Å; V205-L368 HydrophobicContact CG2-CB 4.2Å
206N98.2Very high97.6Very high48 Ų4858.9 Ų58.926%0.25728%0.284SS..EExtended strand (participates in β ladder)trans-13122.5-178.872.6-8.9000113.7T198 Y199 D200 Q204 A223T198-N206 WeakPolarHBondContact CB-OD1 3.25Å; T198-N206 PolarHBondContact O-N 3.11Å; T198-N206 PolarHBondContact O-OD1 2.75Å; T198-N206 VanDerWaalsContact O-OD1 3.06Å; T198-N206 PolarHBondContact OG1-OD1 2.96Å; Y199-N206 PolarHBondContact N-OD1 3.09Å; D200-N206 HydrophobicContact CB-CB 4.48Å; Q204-N206 PolarHBondContact O-N 2.8Å; N206-A223 CarbonylContact C-O 3.48Å; N206-A223 WeakPolarHBondContact CA-O 3.4Å; N206-A223 PolarHBondContact O-N 3.42Å
207G98.7Very high97.7Very high0 Ų056.9 Ų56.90%028%0.275CS..EExtended strand (participates in β ladder)trans153.2-173.8-179.400000113.1T198 I221T198-G207 PolarHBondContact N-O 2.72Å; T198-G207 VanDerWaalsContact OG1-C 3.25Å; T198-G207 WeakPolarHBondContact OG1-CA 3.22Å; T198-G207 PolarHBondContact OG1-N 3.26Å; T198-G207 PolarHBondContact OG1-O 3.31Å; G207-I221 CarbonylContact C-O 3.52Å; G207-I221 WeakPolarHBondContact CA-O 3.44Å
208V98.7Very high97.7Very high0 Ų061 Ų610%030%0.298CS..EExtended strand (participates in β ladder)trans-138.5144.6-178.2-67.30000110.8V23 I25 H196 F197 V210 T220 I221 V226V23-V208 HydrophobicContact CG1-CG1 4.44Å; V23-V208 HydrophobicContact CG1-CG2 4.29Å; V23-V208 HydrophobicContact CG2-CG2 4.07Å; I25-V208 HydrophobicContact CD1-CG1 3.89Å; I25-V208 HydrophobicContact CG1-CG1 4.38Å; H196-V208 CarbonylContact O-C 3.52Å; H196-V208 WeakPolarHBondContact O-CA 3.46Å; F197-V208 HydrophobicContact CD1-CG1 3.9Å; F197-V208 HydrophobicContact CE1-CG1 4.17Å; V208-V210 HydrophobicContact CB-CG1 4.34Å; V208-V210 HydrophobicContact CG2-CG1 3.73Å; V208-T220 CarbonylContact O-C 3.53Å; V208-T220 WeakPolarHBondContact O-CA 3.36Å; V208-I221 HydrophobicContact CG2-CB 3.98Å; V208-I221 HydrophobicContact CG2-CD1 4.41Å; V208-I221 HydrophobicContact CG2-CG1 4.5Å; V208-I221 PolarHBondContact N-O 3.01Å; V208-I221 PolarHBondContact O-N 3.39Å; V208-V226 HydrophobicContact CG1-CG1 4.12Å
209K98.6Very high97.7Very high108 Ų10860.6 Ų60.647%0.4729%0.294SS..EExtended strand (participates in β ladder)trans-90.7130.6162.1-64.3-174.5178.5-179.10108.3E195 H196 T198E195-K209 PolarHBondContact N-O 3.06Å; H196-K209 HydrophobicContact CB-CB 4.29Å; H196-K209 HydrophobicContact CB-CD 4.43Å; H196-K209 PolarHBondContact N-O 3.38Å; H196-K209 PolarHBondContact O-N 2.68Å; T198-K209 HydrophobicContact CG2-CG 4.02Å
210V98.8Very high97.7Very high1 Ų159.5 Ų59.51%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-125.7153.6-176.5-53.80000111.5V48 T192 K193 V208 N218 Y219 I221V48-V210 HydrophobicContact CG1-CG1 4.34Å; V48-V210 HydrophobicContact CG2-CG1 4.35Å; T192-V210 HydrophobicContact CG2-CB 3.67Å; T192-V210 HydrophobicContact CG2-CG1 4.25Å; T192-V210 HydrophobicContact CG2-CG2 3.64Å; K193-V210 CarbonylContact O-C 3.58Å; K193-V210 WeakPolarHBondContact O-CA 3.47Å; K193-V210 WeakPolarHBondContact O-CB 3.23Å; V208-V210 HydrophobicContact CB-CG1 4.34Å; V208-V210 HydrophobicContact CG2-CG1 3.73Å; V210-N218 WeakPolarHBondContact O-CA 3.3Å; V210-Y219 HydrophobicContact CG2-CD1 4.03Å; V210-Y219 HydrophobicContact CG2-CD2 3.62Å; V210-Y219 HydrophobicContact CG2-CE1 3.77Å; V210-Y219 HydrophobicContact CG2-CE2 3.34Å; V210-Y219 HydrophobicContact CG2-CG 3.95Å; V210-Y219 VanDerWaalsContact CG2-CZ 3.41Å; V210-Y219 PolarHBondContact N-O 3.06Å; V210-Y219 PolarHBondContact O-N 3Å; V210-I221 HydrophobicContact CG1-CD1 3.91Å; V210-I221 HydrophobicContact CG1-CG1 4.36Å; V210-I221 HydrophobicContact CG2-CD1 4.09Å; V210-I221 HydrophobicContact CG2-CG1 4.24Å
211I98.7Very high97.8Very high18 Ų1857.1 Ų57.19%0.09228%0.282CS..EExtended strand (participates in β ladder)trans-119.8125.6170.1-172170.1000110T192 K193 E195 K213 E217 N218T192-I211 CarbonylContact C-O 3.48Å; T192-I211 WeakPolarHBondContact CA-O 3.31Å; K193-I211 HydrophobicContact CB-CG2 3.88Å; K193-I211 PolarHBondContact N-O 2.87Å; K193-I211 PolarHBondContact O-N 3.48Å; E195-I211 VanDerWaalsContact CD-CG2 3.49Å; E195-I211 HydrophobicContact CG-CB 4.42Å; E195-I211 HydrophobicContact CG-CG2 3.72Å; I211-K213 HydrophobicContact CG2-CD 3.94Å; I211-K213 PolarHBondContact O-N 3.37Å; I211-E217 CarbonylContact C-O 3.51Å; I211-E217 WeakPolarHBondContact CA-O 3.41Å; I211-N218 WeakPolarHBondContact CB-OD1 3.36Å
212D98.6Very high97.9Very high1 Ų153.6 Ų53.61%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-70.3116.5168.1-175.5-24000108.2K12 Y191 L214 T215 N216 E217K12-D212 WeakPolarHBondContact CD-OD2 3.25Å; K12-D212 IonicContact NZ-OD2 2.99Å; K12-D212 PolarHBondContact NZ-OD2 3.11Å; Y191-D212 CarbonylContact O-C 3.53Å; Y191-D212 WeakPolarHBondContact O-CA 3.37Å; D212-L214 VanDerWaalsContact C-N 3.26Å; D212-L214 PolarHBondContact O-N 2.98Å; D212-L214 WeakPolarHBondContact OD1-CA 3.32Å; D212-L214 WeakPolarHBondContact OD1-CB 3.44Å; D212-L214 PolarHBondContact OD1-N 2.87Å; D212-T215 WeakPolarHBondContact CB-OG1 3.18Å; D212-T215 VanDerWaalsContact CG-OG1 3.24Å; D212-T215 PolarHBondContact OD1-N 3.21Å; D212-T215 PolarHBondContact OD2-OG1 2.65Å; D212-N216 WeakPolarHBondContact O-CA 3.1Å; D212-N216 PolarHBondContact O-N 3.1Å; D212-E217 HydrophobicContact CB-CB 4.29Å; D212-E217 PolarHBondContact N-O 3.39Å
213K97.9Very high98.1Very high96 Ų9648.7 Ų48.742%0.41724%0.241SC..THydrogen-bonded Turntrans-77-10.7-177-62.9-56.1-59.3163.50113.2Y191 K193 I211Y191-K213 PolarHBondContact O-N 3.11Å; K193-K213 HydrophobicContact CB-CD 4.1Å; K193-K213 HydrophobicContact CB-CG 4.2Å; I211-K213 HydrophobicContact CG2-CD 3.94Å; I211-K213 PolarHBondContact O-N 3.37Å
214L96.9Very high98.2Very high31 Ų3144.5 Ų44.516%0.16222%0.221CC..THydrogen-bonded Turntrans-88.8-38.5174.5-55.2174.7000111.2Y191 D212 Y490Y191-L214 HydrophobicContact CD1-CD2 4.06Å; Y191-L214 HydrophobicContact CD2-CD1 4.19Å; Y191-L214 HydrophobicContact CD2-CD2 4.1Å; Y191-L214 HydrophobicContact CD2-CG 4.36Å; Y191-L214 HydrophobicContact CG-CD1 4.29Å; Y191-L214 HydrophobicContact CG-CD2 3.77Å; Y191-L214 HydrophobicContact CG-CG 4Å; D212-L214 VanDerWaalsContact C-N 3.26Å; D212-L214 PolarHBondContact O-N 2.98Å; D212-L214 WeakPolarHBondContact OD1-CA 3.32Å; D212-L214 WeakPolarHBondContact OD1-CB 3.44Å; D212-L214 PolarHBondContact OD1-N 2.87Å; L214-Y490 HydrophobicContact CB-CE1 4.44Å; L214-Y490 HydrophobicContact CD1-CD1 3.47Å; L214-Y490 VanDerWaalsContact CD1-CD1 3.47Å; L214-Y490 HydrophobicContact CD1-CD2 3.74Å; L214-Y490 HydrophobicContact CD1-CE1 3.64Å; L214-Y490 HydrophobicContact CD1-CE2 3.91Å; L214-Y490 HydrophobicContact CD1-CG 3.53Å; L214-Y490 HydrophobicContact CD2-CD1 3.53Å; L214-Y490 HydrophobicContact CD2-CE1 3.67Å; L214-Y490 HydrophobicContact CD2-CG 4.36Å; L214-Y490 HydrophobicContact CG-CD1 4.1Å; L214-Y490 HydrophobicContact CG-CE1 4.1Å
215T95.6Very high98.2Very high72 Ų7242.1 Ų42.144%0.44221%0.21SC..THydrogen-bonded Turntrans-110.8-9-17466.10000114.4D212 E217D212-T215 WeakPolarHBondContact CB-OG1 3.18Å; D212-T215 VanDerWaalsContact CG-OG1 3.24Å; D212-T215 PolarHBondContact OD1-N 3.21Å; D212-T215 PolarHBondContact OD2-OG1 2.65Å; T215-E217 PolarHBondContact O-N 3.09Å; T215-E217 VanDerWaalsContact OG1-CB 3.22Å; T215-E217 WeakPolarHBondContact OG1-CB 3.31Å; T215-E217 PolarHBondContact OG1-N 2.67Å
216N96.9Very high98.3Very high107 Ų10741.9 Ų41.957%0.57221%0.208SC*.  trans59.717.2-168.7-62-58000114.7D212 N218D212-N216 WeakPolarHBondContact O-CA 3.1Å; D212-N216 PolarHBondContact O-N 3.1Å; N216-N218 PolarHBondContact O-ND2 2.93Å
217E97.7Very high98.3Very high65 Ų6539.6 Ų39.630%0.30420%0.196SC..  trans-75.2135.4178.7-173.1176.4-16600111.7K12 R16 I211 D212 T215K12-E217 IonicContact NZ-OE2 3.72Å; K12-E217 PolarHBondContact NZ-OE2 3.36Å; R16-E217 IonicContact CZ-OE1 2.91Å; R16-E217 IonicContact CZ-OE2 2.69Å; R16-E217 IonicContact NH1-OE1 3.89Å; R16-E217 PolarHBondContact NH1-OE1 3.48Å; R16-E217 IonicContact NH1-OE2 2.79Å; R16-E217 IonicContact NH2-OE1 3.87Å; R16-E217 PolarHBondContact NH2-OE1 3.1Å; R16-E217 IonicContact NH2-OE2 3.02Å; R16-E217 PolarHBondContact NH2-OE2 3.11Å; I211-E217 CarbonylContact C-O 3.51Å; I211-E217 WeakPolarHBondContact CA-O 3.41Å; D212-E217 HydrophobicContact CB-CB 4.29Å; D212-E217 PolarHBondContact N-O 3.39Å; T215-E217 PolarHBondContact O-N 3.09Å; T215-E217 VanDerWaalsContact OG1-CB 3.22Å; T215-E217 WeakPolarHBondContact OG1-CB 3.31Å; T215-E217 PolarHBondContact OG1-N 2.67Å
218N98.3Very high98.3Very high100 Ų10039.6 Ų39.654%0.53520%0.196SC..EExtended strand (participates in β ladder)trans-109.3135.2-179.4-68.2-85.7000111.1V210 I211 N216V210-N218 WeakPolarHBondContact O-CA 3.3Å; I211-N218 WeakPolarHBondContact CB-OD1 3.36Å; N216-N218 PolarHBondContact O-ND2 2.93Å
219Y98.5Very high98.3Very high18 Ų1840 Ų407%0.07120%0.199CC..EExtended strand (participates in β ladder)trans-153.9168.4175.157.8-84.4000112.6K12 L15 R16 T192 V210 I221K12-Y219 HydrophobicContact CD-CE1 4.31Å; L15-Y219 HydrophobicContact CB-CE2 4.04Å; L15-Y219 HydrophobicContact CD1-CE2 4.43Å; R16-Y219 HydrophobicContact CG-CD2 3.62Å; R16-Y219 HydrophobicContact CG-CE2 4.4Å; R16-Y219 HydrophobicContact CG-CG 3.84Å; T192-Y219 WeakPolarHBondContact CG2-OH 3.36Å; V210-Y219 HydrophobicContact CG2-CD1 4.03Å; V210-Y219 HydrophobicContact CG2-CD2 3.62Å; V210-Y219 HydrophobicContact CG2-CE1 3.77Å; V210-Y219 HydrophobicContact CG2-CE2 3.34Å; V210-Y219 HydrophobicContact CG2-CG 3.95Å; V210-Y219 VanDerWaalsContact CG2-CZ 3.41Å; V210-Y219 PolarHBondContact N-O 3.06Å; V210-Y219 PolarHBondContact O-N 3Å; Y219-I221 HydrophobicContact CD2-CG1 4.16Å; Y219-I221 HydrophobicContact CE2-CD1 4.12Å; Y219-I221 HydrophobicContact CE2-CG1 3.91Å
220T98.7Very high98.2Very high53 Ų5335.4 Ų35.433%0.32518%0.181SC..EExtended strand (participates in β ladder)trans-107135.2179.1-56.10000109.7T198 V208T198-T220 HydrophobicContact CG2-CG2 3.82Å; V208-T220 CarbonylContact O-C 3.53Å; V208-T220 WeakPolarHBondContact O-CA 3.36Å
221I98.8Very high98.1Very high0 Ų036.4 Ų36.40%019%0.191CC..EExtended strand (participates in β ladder)trans-107.4119.4169.5-54176.4000107.5L15 Y20 V23 A46 V48 G207 V208 V210 Y219L15-I221 HydrophobicContact CB-CD1 4.25Å; L15-I221 HydrophobicContact CB-CG1 4.19Å; L15-I221 HydrophobicContact CD1-CD1 4.12Å; L15-I221 HydrophobicContact CD2-CD1 4.18Å; L15-I221 HydrophobicContact CD2-CG2 4.42Å; L15-I221 HydrophobicContact CG-CD1 4.43Å; Y20-I221 HydrophobicContact CD2-CG2 3.86Å; Y20-I221 HydrophobicContact CE2-CG2 4.12Å; V23-I221 HydrophobicContact CB-CG2 4.49Å; V23-I221 HydrophobicContact CG2-CG2 4.16Å; A46-I221 HydrophobicContact CB-CG2 4.13Å; V48-I221 HydrophobicContact CG1-CD1 3.48Å; V48-I221 VanDerWaalsContact CG1-CD1 3.48Å; G207-I221 CarbonylContact C-O 3.52Å; G207-I221 WeakPolarHBondContact CA-O 3.44Å; V208-I221 HydrophobicContact CG2-CB 3.98Å; V208-I221 HydrophobicContact CG2-CD1 4.41Å; V208-I221 HydrophobicContact CG2-CG1 4.5Å; V208-I221 PolarHBondContact N-O 3.01Å; V208-I221 PolarHBondContact O-N 3.39Å; V210-I221 HydrophobicContact CG1-CD1 3.91Å; V210-I221 HydrophobicContact CG1-CG1 4.36Å; V210-I221 HydrophobicContact CG2-CD1 4.09Å; V210-I221 HydrophobicContact CG2-CG1 4.24Å; Y219-I221 HydrophobicContact CD2-CG1 4.16Å; Y219-I221 HydrophobicContact CE2-CD1 4.12Å; Y219-I221 HydrophobicContact CE2-CG1 3.91Å
222K98.8Very high98Very high120 Ų12035.8 Ų35.852%0.52219%0.189SC..EExtended strand (participates in β ladder)trans-89.3133.1179.4-64.2176.9-176.7171.70110.1E19 Y20E19-K222 HydrophobicContact CB-CB 4.35Å; E19-K222 HydrophobicContact CG-CB 4.16Å; Y20-K222 WeakPolarHBondContact CD2-O 3.24Å; Y20-K222 PolarHBondContact N-O 2.85Å
223A98.9Very high97.9Very high1 Ų137.6 Ų37.61%0.00820%0.195CC..EExtended strand (participates in β ladder)trans-150.4144.6177.300000112.1Y20 V23 N206 K225Y20-A223 CarbonylContact O-C 3.48Å; Y20-A223 VanDerWaalsContact O-CA 3.26Å; Y20-A223 WeakPolarHBondContact O-CA 3.33Å; V23-A223 HydrophobicContact CB-CB 3.83Å; V23-A223 HydrophobicContact CG1-CB 3.54Å; N206-A223 CarbonylContact C-O 3.48Å; N206-A223 WeakPolarHBondContact CA-O 3.4Å; N206-A223 PolarHBondContact O-N 3.42Å; A223-K225 VanDerWaalsContact C-N 3.28Å; A223-K225 WeakPolarHBondContact CB-O 3.16Å; A223-K225 PolarHBondContact O-N 3.33Å
224K98.8Very high97.8Very high29 Ų2933 Ų3313%0.12618%0.175CC..EExtended strand (participates in β ladder)trans-67-30.3176.6-63.1178.7-166.578.70112.9E19 Y20 D21 L394 Y398 L400E19-K224 IonicContact OE2-NZ 3.59Å; Y20-K224 PolarHBondContact O-N 3.44Å; D21-K224 IonicContact OD1-NZ 2.73Å; D21-K224 PolarHBondContact OD1-NZ 2.7Å; K224-L394 HydrophobicContact CB-CD2 3.59Å; K224-L394 HydrophobicContact CD-CD2 4.17Å; K224-Y398 HydrophobicContact CB-CD2 4.13Å; K224-Y398 HydrophobicContact CB-CE1 4.25Å; K224-Y398 HydrophobicContact CB-CE2 3.66Å; K224-Y398 HydrophobicContact CD-CD1 3.75Å; K224-Y398 HydrophobicContact CD-CD2 4.07Å; K224-Y398 HydrophobicContact CD-CE1 3.98Å; K224-Y398 HydrophobicContact CD-CE2 4.3Å; K224-Y398 HydrophobicContact CD-CG 3.79Å; K224-Y398 HydrophobicContact CG-CD1 4.15Å; K224-Y398 HydrophobicContact CG-CD2 4.41Å; K224-Y398 HydrophobicContact CG-CE1 3.84Å; K224-Y398 HydrophobicContact CG-CE2 4.14Å; K224-Y398 HydrophobicContact CG-CG 4.42Å; K224-L400 HydrophobicContact CD-CD1 3.66Å
225K98.8Very high97.6Very high10 Ų1033.5 Ų33.54%0.04318%0.178CC..EExtended strand (participates in β ladder)trans-137.8152.4174.7-63-64.5164.7-172.60111.5D21 L22 V23 A223 V390 R393 L394 D397D21-K225 PolarHBondContact O-N 2.84Å; L22-K225 WeakPolarHBondContact CA-O 3.42Å; L22-K225 HydrophobicContact CD1-CB 4.28Å; V23-K225 PolarHBondContact N-O 3.04Å; A223-K225 VanDerWaalsContact C-N 3.28Å; A223-K225 WeakPolarHBondContact CB-O 3.16Å; A223-K225 PolarHBondContact O-N 3.33Å; K225-V390 HydrophobicContact CB-CG1 4.37Å; K225-V390 HydrophobicContact CG-CG1 4.48Å; K225-R393 HydrophobicContact CD-CB 4.25Å; K225-L394 HydrophobicContact CG-CD2 3.68Å; K225-L394 HydrophobicContact CG-CG 3.98Å; K225-D397 WeakPolarHBondContact CE-OD2 3.38Å; K225-D397 IonicContact NZ-OD2 2.69Å; K225-D397 PolarHBondContact NZ-OD2 3.5Å
226V98.9Very high97.5Very high2 Ų233.5 Ų33.51%0.01218%0.175CC..EExtended strand (participates in β ladder)trans-126.2130.7177-176.90000109.4V23 I25 F197 V205 V208 L368 L369V23-V226 HydrophobicContact CG1-CB 4.15Å; V23-V226 HydrophobicContact CG1-CG1 4.05Å; V23-V226 HydrophobicContact CG1-CG2 3.58Å; V23-V226 WeakPolarHBondContact O-CA 3.15Å; I25-V226 HydrophobicContact CD1-CG1 3.92Å; I25-V226 HydrophobicContact CG1-CG1 4.35Å; F197-V226 HydrophobicContact CD1-CG1 4.4Å; F197-V226 HydrophobicContact CE1-CG1 4Å; V205-V226 HydrophobicContact CB-CG2 4.48Å; V205-V226 HydrophobicContact CG1-CB 3.86Å; V205-V226 HydrophobicContact CG1-CG2 3.32Å; V208-V226 HydrophobicContact CG1-CG1 4.12Å; V226-L368 HydrophobicContact CB-CD1 4.01Å; V226-L368 HydrophobicContact CG1-CD1 3.77Å; V226-L369 PolarHBondContact O-N 3.5Å
227V98.9Very high97.5Very high0 Ų029.5 Ų29.50%016%0.155CC..EExtended strand (participates in β ladder)trans-114.8121172.4171.70000110L22 V23 I24 I25 I34 A229 L369 I371 I386 V390L22-V227 HydrophobicContact CD1-CB 4.06Å; L22-V227 HydrophobicContact CD1-CG2 3.57Å; V23-V227 PolarHBondContact O-N 3.13Å; I24-V227 WeakPolarHBondContact CA-O 3.44Å; I25-V227 PolarHBondContact N-O 2.96Å; I34-V227 HydrophobicContact CD1-CG1 3.93Å; V227-A229 HydrophobicContact CG1-CB 4.49Å; V227-L369 CarbonylContact C-O 3.47Å; V227-L369 WeakPolarHBondContact CA-O 3.2Å; V227-L369 HydrophobicContact CG2-CB 3.93Å; V227-L369 HydrophobicContact CG2-CD1 4.28Å; V227-I371 HydrophobicContact CG1-CG2 4.47Å; V227-I386 HydrophobicContact CB-CD1 4.44Å; V227-I386 HydrophobicContact CG1-CD1 3.51Å; V227-I386 HydrophobicContact CG1-CG1 4.36Å; V227-I386 HydrophobicContact CG2-CD1 4.03Å; V227-I386 HydrophobicContact CG2-CG1 4.18Å; V227-V390 HydrophobicContact CG2-CG2 3.73Å
228N98.5Very high97.2Very high0 Ų027.6 Ų27.60%015%0.145CC..EExtended strand (participates in β ladder)trans-85.9111.1168.4176.515000110.1A230 V234 V237 R238 L368 L369 T370 I371N228-A230 WeakPolarHBondContact OD1-CB 3.33Å; N228-A230 PolarHBondContact OD1-N 3.45Å; N228-A230 VanDerWaalsContact OD1-N 3.13Å; N228-V234 PolarHBondContact ND2-O 3.43Å; N228-V237 HydrophobicContact CB-CG1 4.05Å; N228-V237 VanDerWaalsContact CG-CG1 3.49Å; N228-R238 WeakPolarHBondContact ND2-CG 3.42Å; N228-L368 HydrophobicContact CB-CD1 4.41Å; N228-L369 PolarHBondContact N-O 3.01Å; N228-T370 HydrophobicContact CB-CG2 4.38Å; N228-T370 WeakPolarHBondContact O-CA 3.29Å; N228-I371 PolarHBondContact O-N 3.49Å
229A98.5Very high96.9Very high7 Ų725.5 Ų25.56%0.05814%0.138CC..  trans-122.532.6175.700000111I24 I25 T30 I34 V227 G231 I371I24-A229 HydrophobicContact CG2-CB 4.27Å; I25-A229 CarbonylContact O-C 3.54Å; I25-A229 WeakPolarHBondContact O-CA 3.4Å; I25-A229 PolarHBondContact O-N 3.33Å; T30-A229 HydrophobicContact CG2-CB 4.22Å; I34-A229 HydrophobicContact CD1-CB 3.99Å; V227-A229 HydrophobicContact CG1-CB 4.49Å; A229-G231 PolarHBondContact O-N 3.2Å; A229-I371 HydrophobicContact CB-CG2 3.89Å
230A97.9Very high96.6Very high13 Ų1326.1 Ų26.111%0.10715%0.15CC..  trans-78.618-167.900000115.3I25 N228 W233 V237I25-A230 HydrophobicContact CG2-CB 4.48Å; I25-A230 PolarHBondContact O-N 2.97Å; N228-A230 WeakPolarHBondContact OD1-CB 3.33Å; N228-A230 PolarHBondContact OD1-N 3.45Å; N228-A230 VanDerWaalsContact OD1-N 3.13Å; A230-W233 HydrophobicContact CB-CB 4.03Å; A230-W233 WeakPolarHBondContact O-CA 3.17Å; A230-W233 WeakPolarHBondContact O-CB 3.43Å; A230-W233 PolarHBondContact O-N 3.33Å; A230-V237 HydrophobicContact CB-CG2 3.74Å
231G96Very high96.3Very high21 Ų2123.9 Ų23.922%0.21614%0.136CC..G310 helixtrans51.9-125.2177.400000113.5A229 W233 V234A229-G231 PolarHBondContact O-N 3.2Å; G231-W233 PolarHBondContact O-N 3.48Å; G231-V234 WeakPolarHBondContact O-CB 3.33Å; G231-V234 VanDerWaalsContact O-CG2 3.27Å; G231-V234 WeakPolarHBondContact O-CG2 3.44Å; G231-V234 PolarHBondContact O-N 2.91Å
232P96Very high95.8Very high5 Ų529 Ų293%0.03216%0.156CC..G310 helixtrans-55.2-18.6175-26.135.5000115.6T57 L251 K303 I341T57-P232 WeakPolarHBondContact OG1-CD 3.5Å; T57-P232 WeakPolarHBondContact OG1-CG 3.24Å; P232-L251 HydrophobicContact CB-CD1 4.38Å; P232-L251 HydrophobicContact CB-CD2 4.28Å; P232-K303 HydrophobicContact CB-CD 4.49Å; P232-I341 HydrophobicContact CB-CB 4.41Å; P232-I341 HydrophobicContact CB-CG2 3.92Å; P232-I341 HydrophobicContact CG-CB 3.97Å; P232-I341 HydrophobicContact CG-CG2 3.86Å
233W96.9Very high95Very high39 Ų3924 Ų2415%0.14814%0.137CC..G310 helixtrans-96.25.6179.6-63.4-90.8000114.3M50 A230 G231 D235 D236 V237 K303M50-W233 HydrophobicContact CE-CD2 3.64Å; M50-W233 HydrophobicContact CE-CE3 4.22Å; M50-W233 HydrophobicContact CE-CG 4.01Å; M50-W233 HydrophobicContact CE-CH2 4.19Å; M50-W233 HydrophobicContact CE-CZ2 3.56Å; M50-W233 HydrophobicContact CE-CZ3 4.48Å; A230-W233 HydrophobicContact CB-CB 4.03Å; A230-W233 WeakPolarHBondContact O-CA 3.17Å; A230-W233 WeakPolarHBondContact O-CB 3.43Å; A230-W233 PolarHBondContact O-N 3.33Å; G231-W233 PolarHBondContact O-N 3.48Å; W233-D235 PolarHBondContact O-N 2.83Å; W233-D236 VanDerWaalsContact CA-OD2 3.23Å; W233-D236 WeakPolarHBondContact CA-OD2 3.38Å; W233-D236 PolarHBondContact O-N 3.09Å; W233-D236 VanDerWaalsContact O-N 3.08Å; W233-V237 PolarHBondContact O-N 2.96Å; W233-K303 HydrophobicContact CD2-CB 4.38Å; W233-K303 HydrophobicContact CG-CD 4.38Å; W233-K303 HydrophobicContact CH2-CB 4.31Å; W233-K303 WeakPolarHBondContact CH2-O 3.38Å; W233-K303 VanDerWaalsContact CZ2-C 3.4Å; W233-K303 HydrophobicContact CZ2-CB 3.51Å; W233-K303 WeakPolarHBondContact CZ2-O 3.39Å
234V95.2Very high94Very high0 Ų032.5 Ų32.50%017%0.169CC..Hα-helixtrans-52.6-44.4-179.1155.80000111.7N228 G231 V237 R238 L249 W362 T370 A372N228-V234 PolarHBondContact ND2-O 3.43Å; G231-V234 WeakPolarHBondContact O-CB 3.33Å; G231-V234 VanDerWaalsContact O-CG2 3.27Å; G231-V234 WeakPolarHBondContact O-CG2 3.44Å; G231-V234 PolarHBondContact O-N 2.91Å; V234-V237 PolarHBondContact O-N 3.02Å; V234-R238 WeakPolarHBondContact O-CB 3.47Å; V234-R238 WeakPolarHBondContact O-CG 3.44Å; V234-R238 PolarHBondContact O-N 3.02Å; V234-L249 HydrophobicContact CB-CD1 3.9Å; V234-L249 HydrophobicContact CG1-CD1 4.35Å; V234-W362 HydrophobicContact CG1-CZ3 4.39Å; V234-T370 HydrophobicContact CB-CG2 4.49Å; V234-T370 HydrophobicContact CG1-CG2 3.36Å; V234-T370 HydrophobicContact CG2-CG2 4.35Å; V234-A372 HydrophobicContact CG1-CB 4.18Å; V234-A372 HydrophobicContact CG2-CB 4.34Å
235D93.1Very high92.7Very high42 Ų4234 Ų3423%0.22518%0.179CC..Hα-helixtrans-71.3-34.5-179.7-73-21.6000112.6W233 R238 S239 K248 L249W233-D235 PolarHBondContact O-N 2.83Å; D235-R238 PolarHBondContact O-N 3.39Å; D235-R238 IonicContact OD1-NH1 3.68Å; D235-R238 PolarHBondContact OD1-NH1 2.95Å; D235-S239 WeakPolarHBondContact O-CB 3.49Å; D235-S239 PolarHBondContact O-N 3.09Å; D235-K248 WeakPolarHBondContact OD2-CA 3Å; D235-L249 PolarHBondContact OD2-N 3.48Å
236D94Very high91.6Very high71 Ų7141.5 Ų41.538%0.3822%0.219SC..Hα-helixtrans-64.4-44.9174.9-47.1-104.5000110.5W233 S239 K303W233-D236 VanDerWaalsContact CA-OD2 3.23Å; W233-D236 WeakPolarHBondContact CA-OD2 3.38Å; W233-D236 PolarHBondContact O-N 3.09Å; W233-D236 VanDerWaalsContact O-N 3.08Å; D236-S239 WeakPolarHBondContact O-CB 3.06Å; D236-S239 PolarHBondContact O-N 2.89Å; D236-S239 PolarHBondContact O-OG 3Å; D236-K303 IonicContact OD1-NZ 3.01Å; D236-K303 PolarHBondContact OD1-NZ 3.37Å; D236-K303 IonicContact OD2-NZ 2.58Å; D236-K303 PolarHBondContact OD2-NZ 2.78Å
237V95.4Very high90.6Very high24 Ų2445.8 Ų45.815%0.14524%0.238CC..Hα-helixtrans-63-44.5175.8171.40000110.6I25 F197 N228 A230 W233 V234 S239 G240I25-V237 HydrophobicContact CD1-CG1 3.78Å; I25-V237 HydrophobicContact CG2-CG1 4.34Å; I25-V237 HydrophobicContact CG2-CG2 4.09Å; F197-V237 VanDerWaalsContact CE2-O 3.3Å; F197-V237 WeakPolarHBondContact CE2-O 3.39Å; F197-V237 HydrophobicContact CZ-CG1 3.76Å; N228-V237 HydrophobicContact CB-CG1 4.05Å; N228-V237 VanDerWaalsContact CG-CG1 3.49Å; A230-V237 HydrophobicContact CB-CG2 3.74Å; W233-V237 PolarHBondContact O-N 2.96Å; V234-V237 PolarHBondContact O-N 3.02Å; V237-S239 PolarHBondContact O-N 3.14Å; V237-G240 PolarHBondContact O-N 3.42Å
238R93Very high89.9Confident24 Ų2450.9 Ų50.99%0.09126%0.26CS..Hα-helixtrans-64.4-28.8176.4-73.5169.967.3-133.4-7.7113.1N228 V234 D235 G240 D241 N245 K247 L368N228-R238 WeakPolarHBondContact ND2-CG 3.42Å; V234-R238 WeakPolarHBondContact O-CB 3.47Å; V234-R238 WeakPolarHBondContact O-CG 3.44Å; V234-R238 PolarHBondContact O-N 3.02Å; D235-R238 PolarHBondContact O-N 3.39Å; D235-R238 IonicContact OD1-NH1 3.68Å; D235-R238 PolarHBondContact OD1-NH1 2.95Å; R238-G240 PolarHBondContact O-N 3.42Å; R238-D241 WeakPolarHBondContact O-CB 3.36Å; R238-D241 PolarHBondContact O-N 3.43Å; R238-N245 PolarHBondContact NH2-ND2 3.04Å; R238-N245 VanDerWaalsContact NH2-ND2 3.14Å; R238-N245 PolarHBondContact NH2-OD1 2.79Å; R238-K247 PolarHBondContact NH1-O 2.84Å; R238-L368 HydrophobicContact CG-CD2 4.42Å
239S91.5Very high89.5Confident57 Ų5751.8 Ų51.840%0.39927%0.265SS..Hα-helixtrans-63.7-23.6175.283.80000112.2D235 D236 V237 D241 R244D235-S239 WeakPolarHBondContact O-CB 3.49Å; D235-S239 PolarHBondContact O-N 3.09Å; D236-S239 WeakPolarHBondContact O-CB 3.06Å; D236-S239 PolarHBondContact O-N 2.89Å; D236-S239 PolarHBondContact O-OG 3Å; V237-S239 PolarHBondContact O-N 3.14Å; S239-D241 PolarHBondContact O-N 3.16Å; S239-R244 VanDerWaalsContact O-CZ 3.3Å; S239-R244 PolarHBondContact O-NE 3.06Å; S239-R244 PolarHBondContact O-NH2 3.34Å
240G91.4Very high89.2Confident30 Ų3054.6 Ų54.631%0.30927%0.274SS..THydrogen-bonded Turntrans-71.2-13.5171.600000114.3V237 R238V237-G240 PolarHBondContact O-N 3.42Å; R238-G240 PolarHBondContact O-N 3.42Å
241D93.8Very high89Confident7 Ų754.9 Ų54.94%0.03727%0.273CS..SBendtrans-91144176.2-169.824.1000111.9F197 Y199 R238 S239 R244 S366 L368F197-D241 HydrophobicContact CD2-CB 3.86Å; F197-D241 HydrophobicContact CE2-CB 3.75Å; Y199-D241 WeakPolarHBondContact CE1-OD1 3.44Å; Y199-D241 WeakPolarHBondContact OH-CA 3.43Å; Y199-D241 PolarHBondContact OH-OD1 3.32Å; R238-D241 WeakPolarHBondContact O-CB 3.36Å; R238-D241 PolarHBondContact O-N 3.43Å; S239-D241 PolarHBondContact O-N 3.16Å; D241-R244 VanDerWaalsContact O-CG 3.24Å; D241-R244 WeakPolarHBondContact O-CG 3.44Å; D241-R244 PolarHBondContact O-NE 3.45Å; D241-S366 PolarHBondContact OD1-OG 3.45Å; D241-S366 WeakPolarHBondContact OD2-CB 3.2Å; D241-S366 PolarHBondContact OD2-OG 2.88Å; D241-L368 HydrophobicContact CB-CD2 4.11Å
242Y88.2Confident88.9Confident108 Ų10853.9 Ų53.942%0.42426%0.263SS..SBendtrans-72.2-31.6175.779.1-90.1000111.7Y199 Q203 R244Y199-Y242 HydrophobicContact CD1-CD1 4.15Å; Y199-Y242 AromaticContact CD1-CE1 3.83Å; Y199-Y242 HydrophobicContact CD1-CE1 3.83Å; Y199-Y242 AromaticContact CE1-CD1 3.46Å; Y199-Y242 HydrophobicContact CE1-CD1 3.46Å; Y199-Y242 VanDerWaalsContact CE1-CD1 3.46Å; Y199-Y242 AromaticContact CE1-CE1 3.46Å; Y199-Y242 HydrophobicContact CE1-CE1 3.46Å; Y199-Y242 VanDerWaalsContact CE1-CE1 3.46Å; Y199-Y242 HydrophobicContact CE2-CD1 4.4Å; Y199-Y242 AromaticContact CZ-CD1 3.61Å; Y199-Y242 PolarHBondContact OH-N 3.23Å; Q203-Y242 HydrophobicContact CB-CE1 4.05Å; Q203-Y242 VanDerWaalsContact CB-OH 3.28Å; Q203-Y242 WeakPolarHBondContact CB-OH 3.38Å; Q203-Y242 WeakPolarHBondContact O-CE1 3.31Å; Q203-Y242 PolarHBondContact O-OH 2.87Å; Y242-R244 VanDerWaalsContact C-N 3.28Å; Y242-R244 PolarHBondContact O-N 2.85Å; Y242-R244 VanDerWaalsContact O-N 3.08Å
243A82.7Confident88.8Confident15 Ų1553.9 Ų53.912%0.12426%0.262CS..SBendtrans-87.753.8-175.100000113.1K365A243-K365 HydrophobicContact CB-CB 3.95Å
244R76.3Confident88.7Confident178 Ų17852 Ų5267%0.67226%0.255SS*.  trans-62.9151.2-178.5-56.6-177.3-175.6172.50.7112.1S239 D241 Y242S239-R244 VanDerWaalsContact O-CZ 3.3Å; S239-R244 PolarHBondContact O-NE 3.06Å; S239-R244 PolarHBondContact O-NH2 3.34Å; D241-R244 VanDerWaalsContact O-CG 3.24Å; D241-R244 WeakPolarHBondContact O-CG 3.44Å; D241-R244 PolarHBondContact O-NE 3.45Å; Y242-R244 VanDerWaalsContact C-N 3.28Å; Y242-R244 PolarHBondContact O-N 2.85Å; Y242-R244 VanDerWaalsContact O-N 3.08Å
245N72.5Confident88.8Confident61 Ų6152 Ų5233%0.32626%0.255SS..  trans-128.1172.1170.979.640.3000110.2R238 K247R238-N245 PolarHBondContact NH2-ND2 3.04Å; R238-N245 VanDerWaalsContact NH2-ND2 3.14Å; R238-N245 PolarHBondContact NH2-OD1 2.79Å; N245-K247 VanDerWaalsContact C-N 3.34Å; N245-K247 PolarHBondContact O-N 3.04Å; N245-K247 WeakPolarHBondContact OD1-CB 3.49Å; N245-K247 PolarHBondContact OD1-N 3.48Å
246N75Confident89.1Confident168 Ų16850 Ų5090%0.89825%0.245SC*.SBendtrans-84.30.9-173.4-63.1-7.8000114.9
247K78Confident89.3Confident92 Ų9246.6 Ų46.640%0.423%0.227SC..  trans-70.1131.9173.8-67.5-79.8-168.5154.40108.9R238 N245 E360 W362R238-K247 PolarHBondContact NH1-O 2.84Å; N245-K247 VanDerWaalsContact C-N 3.34Å; N245-K247 PolarHBondContact O-N 3.04Å; N245-K247 WeakPolarHBondContact OD1-CB 3.49Å; N245-K247 PolarHBondContact OD1-N 3.48Å; K247-E360 IonicContact NZ-OE1 3.25Å; K247-E360 IonicContact NZ-OE2 3.67Å; K247-E360 PolarHBondContact NZ-OE2 3.06Å; K247-W362 HydrophobicContact CB-CD2 4.24Å; K247-W362 HydrophobicContact CB-CE3 4.16Å; K247-W362 HydrophobicContact CB-CH2 3.75Å; K247-W362 HydrophobicContact CB-CZ2 3.81Å; K247-W362 HydrophobicContact CB-CZ3 3.94Å; K247-W362 HydrophobicContact CD-CZ2 3.96Å; K247-W362 HydrophobicContact CG-CD2 4.32Å; K247-W362 HydrophobicContact CG-CZ2 4.08Å
248K85Confident89.4Confident107 Ų10745.5 Ų45.547%0.46522%0.22SC..  trans-135.4156.217763.3-178.1179.2177.80110.3D235 Y346D235-K248 WeakPolarHBondContact OD2-CA 3Å; K248-Y346 HydrophobicContact CD-CG 4.39Å; K248-Y346 HydrophobicContact CG-CD1 4.39Å; K248-Y346 HydrophobicContact CG-CG 4.02Å; K248-Y346 WeakPolarHBondContact O-CB 3.3Å; K248-Y346 PolarHBondContact O-N 3.19Å; K248-Y346 VanDerWaalsContact O-N 3.14Å
249L89.8Confident89.7Confident19 Ų1944.3 Ų44.310%0.09922%0.215CC..EExtended strand (participates in β ladder)trans-86.3149.8170.6-60.9179.6000111V234 D235 L251 P343 L344 I345 W362 A372V234-L249 HydrophobicContact CB-CD1 3.9Å; V234-L249 HydrophobicContact CG1-CD1 4.35Å; D235-L249 PolarHBondContact OD2-N 3.48Å; L249-L251 HydrophobicContact CB-CD2 4.07Å; L249-L251 HydrophobicContact CD1-CD2 4.36Å; L249-P343 HydrophobicContact CD1-CB 3.68Å; L249-L344 CarbonylContact C-O 3.44Å; L249-L344 VanDerWaalsContact CA-O 3.23Å; L249-L344 WeakPolarHBondContact CA-O 3.42Å; L249-L344 WeakPolarHBondContact CD2-O 3.44Å; L249-I345 HydrophobicContact CD2-CD1 3.82Å; L249-W362 HydrophobicContact CD2-CH2 4.34Å; L249-A372 HydrophobicContact CD2-CB 3.92Å
250R91Very high90Very high65 Ų6543.6 Ų43.625%0.24521%0.207CC..EExtended strand (participates in β ladder)trans-106.9117.9160.2-169.564.3168.7162.73.3107.2F298 L344 Y346 I355 E557R250-F298 HydrophobicContact CG-CD1 3.99Å; R250-F298 HydrophobicContact CG-CE1 3.74Å; R250-F298 VanDerWaalsContact NH2-CG 3.33Å; R250-L344 PolarHBondContact N-O 2.91Å; R250-L344 VanDerWaalsContact O-CB 3.31Å; R250-L344 WeakPolarHBondContact O-CB 3.5Å; R250-L344 PolarHBondContact O-N 3.5Å; R250-Y346 HydrophobicContact CB-CD2 4.12Å; R250-I355 HydrophobicContact CB-CD1 4.07Å; R250-I355 HydrophobicContact CG-CD1 3.82Å; R250-E557 IonicContact CZ-OE1 3.24Å; R250-E557 IonicContact NE-OE1 3.29Å; R250-E557 VanDerWaalsContact NH2-CD 3.34Å; R250-E557 IonicContact NH2-OE1 2.68Å; R250-E557 PolarHBondContact NH2-OE1 3.04Å
251L94.1Very high90.3Very high20 Ų2045.1 Ų45.111%0.10521%0.206CC..EExtended strand (participates in β ladder)trans-91.2139.3-179.5-56.6-174.7000110.2P232 L249 Y299 K303 I341 R342 P343P232-L251 HydrophobicContact CB-CD1 4.38Å; P232-L251 HydrophobicContact CB-CD2 4.28Å; L249-L251 HydrophobicContact CB-CD2 4.07Å; L249-L251 HydrophobicContact CD1-CD2 4.36Å; L251-Y299 WeakPolarHBondContact CB-O 3.23Å; L251-Y299 PolarHBondContact O-N 3.46Å; L251-K303 HydrophobicContact CD1-CD 4.11Å; L251-K303 HydrophobicContact CD1-CG 4.14Å; L251-I341 HydrophobicContact CB-CG2 3.89Å; L251-I341 HydrophobicContact CD1-CG2 4.12Å; L251-I341 HydrophobicContact CD2-CG2 4.16Å; L251-I341 HydrophobicContact CG-CG2 4.27Å; L251-R342 WeakPolarHBondContact CA-O 3.38Å; L251-P343 HydrophobicContact CD2-CB 4.1Å
252T94Very high90.5Very high0 Ų050 Ų500%024%0.24CC..EExtended strand (participates in β ladder)trans-129.2147.1173.956.80000109.7T297 F298 I341 R342 L344 P352T252-T297 CarbonylContact C-O 2.87Å; T252-T297 WeakPolarHBondContact CA-O 3.35Å; T252-T297 WeakPolarHBondContact CB-O 3.3Å; T252-F298 HydrophobicContact CG2-CD1 4.1Å; T252-F298 HydrophobicContact CG2-CE1 4.46Å; T252-I341 CarbonylContact O-C 3.58Å; T252-I341 VanDerWaalsContact O-CA 3.31Å; T252-I341 WeakPolarHBondContact O-CA 3.38Å; T252-R342 PolarHBondContact N-O 3.27Å; T252-R342 PolarHBondContact O-N 3.2Å; T252-R342 WeakPolarHBondContact OG1-CB 3.42Å; T252-L344 HydrophobicContact CG2-CD1 3.74Å; T252-P352 HydrophobicContact CG2-CB 3.68Å; T252-P352 HydrophobicContact CG2-CG 4.44Å
253K94.7Very high91Very high4 Ų447.6 Ų47.62%0.01723%0.232CC..EExtended strand (participates in β ladder)trans-103.6135.9176.7-172.8-177.471.2164.90109.1V255 D296 T297 Y299 L307 D312 A339 G340K253-V255 HydrophobicContact CD-CG2 4.44Å; K253-V255 HydrophobicContact CG-CG2 4.45Å; K253-D296 CarbonylContact O-C 3.55Å; K253-D296 VanDerWaalsContact O-CA 3.23Å; K253-D296 WeakPolarHBondContact O-CA 3.22Å; K253-T297 PolarHBondContact N-O 3.33Å; K253-T297 PolarHBondContact O-N 2.87Å; K253-Y299 HydrophobicContact CB-CD2 3.84Å; K253-Y299 HydrophobicContact CB-CG 4.22Å; K253-Y299 HydrophobicContact CD-CD2 3.92Å; K253-Y299 HydrophobicContact CD-CE2 4.04Å; K253-Y299 HydrophobicContact CG-CD2 4.26Å; K253-L307 PolarHBondContact NZ-O 2.86Å; K253-D312 VanDerWaalsContact CE-OD2 3.24Å; K253-D312 WeakPolarHBondContact CE-OD2 3.5Å; K253-D312 IonicContact NZ-OD2 3.81Å; K253-D312 PolarHBondContact NZ-OD2 3.06Å; K253-A339 HydrophobicContact CD-CB 4.12Å; K253-A339 HydrophobicContact CG-CB 4.13Å; K253-G340 CarbonylContact C-O 3.5Å; K253-G340 WeakPolarHBondContact CA-O 3.36Å
254G95.2Very high91.7Very high0 Ų046.9 Ų46.90%023%0.226CC..EExtended strand (participates in β ladder)trans-127.6139.8165.800000111.4T294 T295 A339 G340 R342G254-T294 VanDerWaalsContact C-OG1 3.26Å; G254-T294 VanDerWaalsContact CA-OG1 3.27Å; G254-T294 WeakPolarHBondContact CA-OG1 3.16Å; G254-T295 WeakPolarHBondContact CA-O 3.36Å; G254-A339 CarbonylContact O-C 3.54Å; G254-A339 WeakPolarHBondContact O-CA 3.36Å; G254-G340 PolarHBondContact N-O 3.16Å; G254-G340 PolarHBondContact O-N 2.71Å; G254-R342 VanDerWaalsContact CA-NH1 3.26Å
255V97.2Very high92.7Very high0 Ų041.8 Ų41.80%022%0.216CC..EExtended strand (participates in β ladder)trans-114.1153.5-175.9172.50000111.4K253 T294 T295 T308 D312 L316 W338 A339K253-V255 HydrophobicContact CD-CG2 4.44Å; K253-V255 HydrophobicContact CG-CG2 4.45Å; V255-T294 PolarHBondContact N-OG1 3.28Å; V255-T294 VanDerWaalsContact N-OG1 3.16Å; V255-T294 WeakPolarHBondContact O-CA 2.99Å; V255-T294 PolarHBondContact O-OG1 2.91Å; V255-T295 HydrophobicContact CB-CG2 4.21Å; V255-T295 WeakPolarHBondContact CB-OG1 3.49Å; V255-T295 PolarHBondContact N-OG1 3.42Å; V255-T295 PolarHBondContact O-N 3.26Å; V255-T308 HydrophobicContact CG1-CG2 3.53Å; V255-T308 WeakPolarHBondContact CG1-OG1 3.43Å; V255-D312 HydrophobicContact CB-CB 4.07Å; V255-D312 HydrophobicContact CG1-CB 4.05Å; V255-D312 HydrophobicContact CG2-CB 3.93Å; V255-D312 WeakPolarHBondContact CG2-OD2 3.37Å; V255-L316 HydrophobicContact CG1-CD1 4.06Å; V255-W338 WeakPolarHBondContact CA-O 3.21Å; V255-A339 HydrophobicContact CG2-CB 3.86Å
256H98.2Very high94Very high0 Ų039 Ų390%020%0.201CC..EExtended strand (participates in β ladder)trans-132.7151165.5-60.876000110.8T62 V292 G293 T294 T337 W338T62-H256 WeakPolarHBondContact CA-NE2 3.49Å; T62-H256 WeakPolarHBondContact CB-NE2 3.49Å; T62-H256 WeakPolarHBondContact CG2-NE2 3.27Å; T62-H256 PolarHBondContact OG1-CE1 2.75Å; T62-H256 PolarHBondContact OG1-NE2 2.84Å; H256-V292 CarbonylContact C-O 3.57Å; H256-V292 WeakPolarHBondContact CA-O 3.34Å; H256-G293 VanDerWaalsContact CD2-CA 3.4Å; H256-G293 WeakPolarHBondContact CD2-CA 3.39Å; H256-T294 VanDerWaalsContact CE1-CB 3.43Å; H256-T294 WeakPolarHBondContact CE1-CB 3.12Å; H256-T294 PolarHBondContact CE1-OG1 3.31Å; H256-T337 VanDerWaalsContact O-CA 3.26Å; H256-T337 WeakPolarHBondContact O-CA 3.2Å; H256-T337 WeakPolarHBondContact O-CB 3.46Å; H256-W338 HydrophobicContact CB-CD2 3.86Å; H256-W338 VanDerWaalsContact CB-CE2 3.41Å; H256-W338 HydrophobicContact CB-CE3 4.15Å; H256-W338 HydrophobicContact CB-CH2 3.66Å; H256-W338 HydrophobicContact CB-CZ2 3.31Å; H256-W338 HydrophobicContact CB-CZ3 4.07Å; H256-W338 AromaticContact CD2-CZ2 3.77Å; H256-W338 AromaticContact CE1-NE1 3.93Å; H256-W338 AromaticContact CG-CE2 3.52Å; H256-W338 AromaticContact CG-CZ2 3.32Å; H256-W338 AromaticContact CG-NE1 3.65Å; H256-W338 PolarHBondContact N-O 3.25Å; H256-W338 AromaticContact ND1-CE2 3.55Å; H256-W338 AromaticContact ND1-CZ2 3.73Å; H256-W338 AromaticContact ND1-NE1 3.14Å; H256-W338 PolarHBondContact ND1-NE1 3.27Å; H256-W338 VanDerWaalsContact ND1-NE1 3.14Å; H256-W338 PolarHBondContact O-N 2.94Å; H256-W338 VanDerWaalsContact O-N 3.13Å
257V98.4Very high95Very high0 Ų034.1 Ų34.10%019%0.191CC..EExtended strand (participates in β ladder)trans-115.5148.8172.6-62.10000109.8I259 Y291 V292 L316 I320 I334 T337V257-I259 HydrophobicContact CG2-CD1 4.48Å; V257-Y291 CarbonylContact O-C 3.48Å; V257-Y291 WeakPolarHBondContact O-CA 3.48Å; V257-V292 HydrophobicContact CG2-CB 4.03Å; V257-V292 PolarHBondContact N-O 3.05Å; V257-V292 PolarHBondContact O-N 3.11Å; V257-L316 HydrophobicContact CB-CD1 4.45Å; V257-L316 HydrophobicContact CG1-CB 4.35Å; V257-L316 HydrophobicContact CG1-CD1 3.74Å; V257-L316 HydrophobicContact CG2-CB 4.12Å; V257-L316 HydrophobicContact CG2-CD1 4.15Å; V257-I320 HydrophobicContact CG2-CD1 4.21Å; V257-I334 HydrophobicContact CB-CD1 4.2Å; V257-I334 HydrophobicContact CB-CG1 4.27Å; V257-I334 HydrophobicContact CB-CG2 4.08Å; V257-I334 HydrophobicContact CG1-CD1 3.8Å; V257-I334 HydrophobicContact CG1-CG1 4.4Å; V257-I334 HydrophobicContact CG1-CG2 4.25Å; V257-T337 HydrophobicContact CB-CG2 4.37Å; V257-T337 HydrophobicContact CG1-CG2 3.86Å
258V98.6Very high95.9Very high0 Ų030.5 Ų30.50%018%0.175CC..EExtended strand (participates in β ladder)trans-118131175.5-173.20000109.4K289 E335 S336 W338 F505V258-K289 HydrophobicContact CG1-CB 3.65Å; V258-K289 HydrophobicContact CG1-CD 4.44Å; V258-K289 HydrophobicContact CG1-CG 3.92Å; V258-E335 PolarHBondContact O-N 3.41Å; V258-S336 WeakPolarHBondContact CB-OG 3.3Å; V258-S336 VanDerWaalsContact CG2-OG 3.28Å; V258-S336 WeakPolarHBondContact CG2-OG 3.43Å; V258-S336 PolarHBondContact N-O 3.03Å; V258-W338 HydrophobicContact CG2-CE3 4.16Å; V258-W338 HydrophobicContact CG2-CH2 4.41Å; V258-W338 HydrophobicContact CG2-CZ3 3.46Å; V258-W338 VanDerWaalsContact CG2-CZ3 3.46Å; V258-F505 HydrophobicContact CG1-CD1 4.41Å; V258-F505 HydrophobicContact CG2-CE1 4.43Å
259I98.5Very high96.5Very high0 Ų025.4 Ų25.40%015%0.153CC..EExtended strand (participates in β ladder)trans-129.2141.3-178.2-60.4162.5000108.1V257 K263 F264 K289 A290 I320 V329 D333 I334V257-I259 HydrophobicContact CG2-CD1 4.48Å; I259-K263 HydrophobicContact CG2-CB 4.01Å; I259-K263 HydrophobicContact CG2-CG 4.05Å; I259-F264 HydrophobicContact CB-CB 4.38Å; I259-F264 HydrophobicContact CD1-CD1 4.33Å; I259-F264 HydrophobicContact CG2-CB 3.77Å; I259-K289 CarbonylContact O-C 3.58Å; I259-K289 WeakPolarHBondContact O-CA 3.36Å; I259-A290 PolarHBondContact N-O 3.2Å; I259-A290 PolarHBondContact O-N 2.58Å; I259-I320 HydrophobicContact CD1-CD1 3.68Å; I259-V329 HydrophobicContact CD1-CB 4.49Å; I259-V329 HydrophobicContact CD1-CG1 3.58Å; I259-V329 HydrophobicContact CD1-CG2 4.05Å; I259-D333 HydrophobicContact CG2-CB 4.35Å; I259-I334 HydrophobicContact CG1-CG1 4.43Å
260D98.3Very high96.9Very high42 Ų4224.5 Ų24.523%0.22515%0.148CC..EExtended strand (participates in β ladder)trans-66.5144.1176.6-169-101.7000112.4S262 K263 F264 K289D260-S262 PolarHBondContact O-N 2.93Å; D260-S262 WeakPolarHBondContact OD1-CB 3.28Å; D260-S262 PolarHBondContact OD1-N 3.46Å; D260-S262 PolarHBondContact OD1-OG 2.94Å; D260-K263 PolarHBondContact O-N 3.34Å; D260-K263 VanDerWaalsContact O-N 3.09Å; D260-F264 PolarHBondContact O-N 3.4Å; D260-K289 HydrophobicContact CB-CD 4.42Å; D260-K289 IonicContact OD2-NZ 3.56Å; D260-K289 PolarHBondContact OD2-NZ 3.36Å
261Q97.9Very high97.1Very high62 Ų6221.6 Ų21.629%0.2914%0.137SC..THydrogen-bonded Turntrans-69.1-16.5179-77.7-179.8600114K263 F264 P265 G288 K289Q261-K263 PolarHBondContact O-N 2.86Å; Q261-F264 WeakPolarHBondContact CA-O 2.9Å; Q261-F264 CarbonylContact O-C 3.59Å; Q261-P265 WeakPolarHBondContact O-CA 3.29Å; Q261-P265 VanDerWaalsContact O-CB 3.23Å; Q261-P265 WeakPolarHBondContact O-CB 3.36Å; Q261-P265 WeakPolarHBondContact O-CD 3.35Å; Q261-P265 VanDerWaalsContact O-N 3.11Å; Q261-G288 WeakPolarHBondContact CB-O 2.94Å; Q261-G288 WeakPolarHBondContact CG-O 3.22Å; Q261-G288 PolarHBondContact N-O 3.07Å; Q261-K289 PolarHBondContact NE2-O 2.93Å
262S96.9Very high97.1Very high108 Ų10820.6 Ų20.676%0.75513%0.132SC*.THydrogen-bonded Turntrans-61.8-34.1169.664.30000111.9D260D260-S262 PolarHBondContact O-N 2.93Å; D260-S262 WeakPolarHBondContact OD1-CB 3.28Å; D260-S262 PolarHBondContact OD1-N 3.46Å; D260-S262 PolarHBondContact OD1-OG 2.94Å
263K98.1Very high96.9Very high59 Ų5921.2 Ų21.226%0.25714%0.135SC..THydrogen-bonded Turntrans-87.5-50.4174.4177.265.6179.7-156.50111.9I259 D260 Q261 P265 V327 N328 D333I259-K263 HydrophobicContact CG2-CB 4.01Å; I259-K263 HydrophobicContact CG2-CG 4.05Å; D260-K263 PolarHBondContact O-N 3.34Å; D260-K263 VanDerWaalsContact O-N 3.09Å; Q261-K263 PolarHBondContact O-N 2.86Å; K263-P265 VanDerWaalsContact C-CD 3.48Å; K263-P265 VanDerWaalsContact O-CD 3.24Å; K263-P265 WeakPolarHBondContact O-CD 3.41Å; K263-V327 WeakPolarHBondContact CE-O 3.09Å; K263-V327 PolarHBondContact NZ-O 3.2Å; K263-V327 WeakPolarHBondContact O-CG1 3.2Å; K263-N328 VanDerWaalsContact CE-O 3.24Å; K263-N328 WeakPolarHBondContact CE-O 3.37Å; K263-N328 PolarHBondContact NZ-O 3.16Å; K263-D333 VanDerWaalsContact CD-OD1 3.29Å; K263-D333 WeakPolarHBondContact CD-OD1 3.46Å; K263-D333 VanDerWaalsContact CE-CG 3.46Å; K263-D333 WeakPolarHBondContact CE-OD1 3.38Å; K263-D333 WeakPolarHBondContact CE-OD2 3.31Å; K263-D333 HydrophobicContact CG-CB 3.95Å; K263-D333 WeakPolarHBondContact CG-OD1 3.46Å; K263-D333 IonicContact NZ-OD1 2.72Å; K263-D333 IonicContact NZ-OD2 2.94Å; K263-D333 PolarHBondContact NZ-OD2 2.97Å
264F98.4Very high96.7Very high0 Ų021.3 Ų21.30%014%0.137CC..SBendtrans-116.780.4-178.6-171.3-171.4000110.8L151 I259 D260 Q261 L266 A283 A290 V292 I320 F324 V327L151-F264 HydrophobicContact CD1-CD2 3.96Å; L151-F264 HydrophobicContact CD1-CE2 3.92Å; I259-F264 HydrophobicContact CB-CB 4.38Å; I259-F264 HydrophobicContact CD1-CD1 4.33Å; I259-F264 HydrophobicContact CG2-CB 3.77Å; D260-F264 PolarHBondContact O-N 3.4Å; Q261-F264 WeakPolarHBondContact CA-O 2.9Å; Q261-F264 CarbonylContact O-C 3.59Å; F264-L266 HydrophobicContact CD2-CB 4.14Å; F264-L266 HydrophobicContact CE2-CB 3.95Å; F264-L266 HydrophobicContact CE2-CD1 3.92Å; F264-L266 HydrophobicContact CE2-CG 4.45Å; F264-L266 HydrophobicContact CZ-CB 4.29Å; F264-L266 HydrophobicContact CZ-CD1 4Å; F264-L266 HydrophobicContact CZ-CD2 4.42Å; F264-L266 HydrophobicContact CZ-CG 4.48Å; F264-L266 PolarHBondContact O-N 3.43Å; F264-A283 HydrophobicContact CE1-CB 4.36Å; F264-A283 HydrophobicContact CZ-CB 4.31Å; F264-A290 HydrophobicContact CB-CB 4.3Å; F264-A290 HydrophobicContact CD1-CB 3.68Å; F264-A290 HydrophobicContact CE1-CB 4.17Å; F264-A290 HydrophobicContact CG-CB 4.02Å; F264-V292 HydrophobicContact CD1-CG2 4.45Å; F264-V292 HydrophobicContact CE1-CG2 3.86Å; F264-I320 HydrophobicContact CD1-CG2 4.28Å; F264-I320 HydrophobicContact CE1-CG1 4.48Å; F264-I320 HydrophobicContact CE1-CG2 3.89Å; F264-I320 HydrophobicContact CZ-CG2 4.23Å; F264-F324 HydrophobicContact CE1-CD2 4.46Å; F264-F324 HydrophobicContact CE2-CB 4.25Å; F264-F324 HydrophobicContact CE2-CD1 4.1Å; F264-F324 HydrophobicContact CE2-CD2 4.1Å; F264-F324 HydrophobicContact CE2-CE1 4.46Å; F264-F324 HydrophobicContact CE2-CE2 4.48Å; F264-F324 AromaticContact CE2-CG 3.89Å; F264-F324 HydrophobicContact CE2-CG 3.89Å; F264-F324 HydrophobicContact CZ-CB 4.46Å; F264-F324 HydrophobicContact CZ-CD1 4.24Å; F264-F324 AromaticContact CZ-CD2 3.54Å; F264-F324 HydrophobicContact CZ-CD2 3.54Å; F264-F324 HydrophobicContact CZ-CE1 4.36Å; F264-F324 AromaticContact CZ-CE2 3.7Å; F264-F324 HydrophobicContact CZ-CE2 3.7Å; F264-F324 AromaticContact CZ-CG 3.83Å; F264-F324 HydrophobicContact CZ-CG 3.83Å; F264-F324 HydrophobicContact CZ-CZ 4.1Å; F264-V327 HydrophobicContact CB-CG1 3.89Å; F264-V327 HydrophobicContact CD2-CB 4.49Å; F264-V327 HydrophobicContact CD2-CG1 3.94Å; F264-V327 HydrophobicContact CD2-CG2 3.79Å; F264-V327 HydrophobicContact CE2-CG2 4.05Å; F264-V327 HydrophobicContact CG-CG1 4Å
265P98Very high96.4Very high71 Ų7128.2 Ų28.246%0.46117%0.169SC..  trans-76.857.3-174.230.9-35.1000112L151 Q261 K263 G267L151-P265 HydrophobicContact CD1-CG 4.13Å; Q261-P265 WeakPolarHBondContact O-CA 3.29Å; Q261-P265 VanDerWaalsContact O-CB 3.23Å; Q261-P265 WeakPolarHBondContact O-CB 3.36Å; Q261-P265 WeakPolarHBondContact O-CD 3.35Å; Q261-P265 VanDerWaalsContact O-N 3.11Å; K263-P265 VanDerWaalsContact C-CD 3.48Å; K263-P265 VanDerWaalsContact O-CD 3.24Å; K263-P265 WeakPolarHBondContact O-CD 3.41Å; P265-G267 PolarHBondContact O-N 2.94Å
266L98.3Very high95.9Very high1 Ų135 Ų351%0.00520%0.198CC..  trans-66.4115.9178.4-172.972.3000109.3E149 F264 Q268 V270 A283 P285 A290 F324E149-L266 HydrophobicContact CG-CD1 4.14Å; F264-L266 HydrophobicContact CD2-CB 4.14Å; F264-L266 HydrophobicContact CE2-CB 3.95Å; F264-L266 HydrophobicContact CE2-CD1 3.92Å; F264-L266 HydrophobicContact CE2-CG 4.45Å; F264-L266 HydrophobicContact CZ-CB 4.29Å; F264-L266 HydrophobicContact CZ-CD1 4Å; F264-L266 HydrophobicContact CZ-CD2 4.42Å; F264-L266 HydrophobicContact CZ-CG 4.48Å; F264-L266 PolarHBondContact O-N 3.43Å; L266-Q268 VanDerWaalsContact CD1-O 3.31Å; L266-Q268 WeakPolarHBondContact CD1-O 3.24Å; L266-Q268 WeakPolarHBondContact CG-O 3.47Å; L266-V270 HydrophobicContact CD1-CG2 4.24Å; L266-A283 VanDerWaalsContact CD2-C 3.44Å; L266-A283 HydrophobicContact CD2-CB 3.73Å; L266-P285 WeakPolarHBondContact O-CB 3.47Å; L266-A290 HydrophobicContact CB-CB 3.94Å; L266-A290 HydrophobicContact CD2-CB 4.22Å; L266-F324 HydrophobicContact CD1-CE1 3.97Å; L266-F324 HydrophobicContact CD1-CZ 4.12Å
267G95.9Very high95.3Very high66 Ų6639.7 Ų39.768%0.6822%0.223SC*.  trans-93.3-19.8178.800000113.2E149 P265E149-G267 PolarHBondContact OE2-N 2.58Å; P265-G267 PolarHBondContact O-N 2.94Å
268Q97.4Very high94.8Very high16 Ų1641 Ų418%0.07524%0.237CC..SBendtrans-133131.7-171170.159.77400109.4W102 L104 K148 E149 L266 V270W102-Q268 PolarHBondContact O-NE2 3.18Å; L104-Q268 HydrophobicContact CB-CG 3.79Å; L104-Q268 HydrophobicContact CD2-CG 4.08Å; K148-Q268 HydrophobicContact CB-CG 4.43Å; E149-Q268 HydrophobicContact CB-CB 4.01Å; E149-Q268 HydrophobicContact CB-CG 4.29Å; E149-Q268 HydrophobicContact CG-CB 4.45Å; E149-Q268 PolarHBondContact OE2-N 3.46Å; L266-Q268 VanDerWaalsContact CD1-O 3.31Å; L266-Q268 WeakPolarHBondContact CD1-O 3.24Å; L266-Q268 WeakPolarHBondContact CG-O 3.47Å; Q268-V270 WeakPolarHBondContact O-CG2 3.44Å; Q268-V270 PolarHBondContact O-N 3Å
269A97.9Very high94.3Very high0 Ų042 Ų420%024%0.241CC..EExtended strand (participates in β ladder)trans-62.1133.2171.200000110.6E101 M103 L104 A283 I284E101-A269 HydrophobicContact CG-CB 3.9Å; M103-A269 HydrophobicContact CE-CB 3.77Å; M103-A269 VanDerWaalsContact SD-C 3.54Å; M103-A269 HydrophobicContact SD-CB 3.77Å; L104-A269 PolarHBondContact N-O 3.42Å; A269-A283 CarbonylContact C-O 3.57Å; A269-A283 WeakPolarHBondContact CA-O 3.41Å; A269-I284 HydrophobicContact CB-CG1 4.25Å; A269-I284 HydrophobicContact CB-CG2 4.41Å
270V97.8Very high94Very high0 Ų042.7 Ų42.70%024%0.244CC..EExtended strand (participates in β ladder)trans-126.5135.1-176.4-178.90000110.7L104 P106 E149 V152 L266 Q268 F272 F282 A283 F324L104-V270 HydrophobicContact CB-CG2 4.36Å; L104-V270 HydrophobicContact CD2-CG2 4.47Å; L104-V270 CarbonylContact O-C 3.06Å; L104-V270 VanDerWaalsContact O-CA 3.26Å; L104-V270 WeakPolarHBondContact O-CA 3.49Å; P106-V270 HydrophobicContact CG-CG1 3.89Å; E149-V270 HydrophobicContact CB-CG2 4.44Å; E149-V270 HydrophobicContact CG-CG2 4.07Å; V152-V270 HydrophobicContact CG2-CG2 4.42Å; L266-V270 HydrophobicContact CD1-CG2 4.24Å; Q268-V270 WeakPolarHBondContact O-CG2 3.44Å; Q268-V270 PolarHBondContact O-N 3Å; V270-F272 HydrophobicContact CB-CD1 4.48Å; V270-F272 HydrophobicContact CG1-CB 4.12Å; V270-F272 HydrophobicContact CG1-CD1 3.91Å; V270-F272 HydrophobicContact CG1-CG 4.42Å; V270-F282 CarbonylContact O-C 3.3Å; V270-F282 WeakPolarHBondContact O-CA 3.43Å; V270-A283 PolarHBondContact N-O 2.86Å; V270-A283 PolarHBondContact O-N 3.21Å; V270-F324 HydrophobicContact CB-CZ 3.9Å; V270-F324 HydrophobicContact CG1-CZ 3.97Å; V270-F324 HydrophobicContact CG2-CE1 4.16Å; V270-F324 HydrophobicContact CG2-CZ 4.01Å
271Y95Very high93.7Very high4 Ų440.7 Ų40.72%0.01623%0.233CC..EExtended strand (participates in β ladder)trans-115.8117.1171.4-176.8-130.2000109.1L104 L105 M280 I281 F282L104-Y271 PolarHBondContact O-N 3.42Å; L105-Y271 WeakPolarHBondContact CA-O 3.23Å; L105-Y271 HydrophobicContact CD1-CD1 4.21Å; L105-Y271 WeakPolarHBondContact CD1-O 3.24Å; Y271-M280 HydrophobicContact CD1-CE 3.65Å; Y271-M280 HydrophobicContact CD2-CB 4.2Å; Y271-M280 HydrophobicContact CD2-CE 4.31Å; Y271-M280 HydrophobicContact CE1-CB 4.02Å; Y271-M280 HydrophobicContact CE1-CE 3.65Å; Y271-M280 HydrophobicContact CE1-CG 4.19Å; Y271-M280 HydrophobicContact CE2-CB 3.32Å; Y271-M280 HydrophobicContact CE2-CE 4.33Å; Y271-M280 HydrophobicContact CE2-CG 4.35Å; Y271-M280 HydrophobicContact CG-CE 4.01Å; Y271-M280 WeakPolarHBondContact OH-CB 3.43Å; Y271-I281 CarbonylContact C-O 3.38Å; Y271-I281 WeakPolarHBondContact CA-O 3.38Å; Y271-I281 VanDerWaalsContact CD2-O 3.31Å; Y271-I281 WeakPolarHBondContact CD2-O 3.26Å; Y271-F282 HydrophobicContact CD1-CE1 4.47Å; Y271-F282 AromaticContact CD2-CD1 3.43Å; Y271-F282 HydrophobicContact CD2-CD1 3.43Å; Y271-F282 VanDerWaalsContact CD2-CD1 3.43Å; Y271-F282 AromaticContact CD2-CD2 3.96Å; Y271-F282 HydrophobicContact CD2-CD2 3.96Å; Y271-F282 AromaticContact CD2-CE1 3.26Å; Y271-F282 HydrophobicContact CD2-CE1 3.26Å; Y271-F282 AromaticContact CD2-CE2 3.81Å; Y271-F282 HydrophobicContact CD2-CE2 3.81Å; Y271-F282 AromaticContact CD2-CG 3.8Å; Y271-F282 HydrophobicContact CD2-CG 3.8Å; Y271-F282 AromaticContact CD2-CZ 3.46Å; Y271-F282 HydrophobicContact CD2-CZ 3.46Å; Y271-F282 VanDerWaalsContact CD2-CZ 3.46Å; Y271-F282 HydrophobicContact CE2-CD1 4.13Å; Y271-F282 AromaticContact CE2-CD2 3.97Å; Y271-F282 HydrophobicContact CE2-CD2 3.97Å; Y271-F282 AromaticContact CE2-CE1 3.65Å; Y271-F282 HydrophobicContact CE2-CE1 3.65Å; Y271-F282 AromaticContact CE2-CE2 3.46Å; Y271-F282 HydrophobicContact CE2-CE2 3.46Å; Y271-F282 VanDerWaalsContact CE2-CE2 3.46Å; Y271-F282 HydrophobicContact CE2-CG 4.29Å; Y271-F282 AromaticContact CE2-CZ 3.29Å; Y271-F282 HydrophobicContact CE2-CZ 3.29Å; Y271-F282 HydrophobicContact CG-CD1 4.01Å; Y271-F282 AromaticContact CG-CE1 3.72Å; Y271-F282 HydrophobicContact CG-CE1 3.72Å; Y271-F282 HydrophobicContact CG-CZ 4.22Å; Y271-F282 AromaticContact CZ-CZ 3.96Å
272F93.9Very high93.7Very high0 Ų038.6 Ų38.60%022%0.223CC..EExtended strand (participates in β ladder)trans-143.7157.9-165.264.5-84.3000112.3P106 V270 M280 I281 A283 V292 A319 M323 F324P106-F272 HydrophobicContact CG-CB 4.33Å; V270-F272 HydrophobicContact CB-CD1 4.48Å; V270-F272 HydrophobicContact CG1-CB 4.12Å; V270-F272 HydrophobicContact CG1-CD1 3.91Å; V270-F272 HydrophobicContact CG1-CG 4.42Å; F272-M280 VanDerWaalsContact C-CE 3.47Å; F272-M280 CarbonylContact O-C 3.59Å; F272-M280 VanDerWaalsContact O-CA 3.25Å; F272-M280 WeakPolarHBondContact O-CA 3.27Å; F272-I281 VanDerWaalsContact CD1-O 3.32Å; F272-I281 WeakPolarHBondContact CD1-O 3.35Å; F272-I281 HydrophobicContact CE1-CB 4.27Å; F272-I281 HydrophobicContact CE1-CG2 3.99Å; F272-I281 HydrophobicContact CE2-CB 4.28Å; F272-I281 HydrophobicContact CE2-CG2 4.41Å; F272-I281 HydrophobicContact CZ-CB 4.04Å; F272-I281 HydrophobicContact CZ-CG2 3.73Å; F272-I281 PolarHBondContact N-O 3.02Å; F272-I281 PolarHBondContact O-N 2.83Å; F272-A283 HydrophobicContact CE1-CB 3.89Å; F272-V292 HydrophobicContact CZ-CG1 4.37Å; F272-A319 HydrophobicContact CE2-CB 4.24Å; F272-A319 WeakPolarHBondContact CE2-O 3.35Å; F272-M323 HydrophobicContact CB-CE 3.62Å; F272-M323 HydrophobicContact CB-CG 3.85Å; F272-M323 HydrophobicContact CB-SD 4.11Å; F272-M323 HydrophobicContact CD1-CG 4.2Å; F272-M323 HydrophobicContact CD2-CB 3.46Å; F272-M323 VanDerWaalsContact CD2-CB 3.46Å; F272-M323 HydrophobicContact CD2-CE 4.04Å; F272-M323 HydrophobicContact CD2-CG 3.66Å; F272-M323 HydrophobicContact CE2-CB 3.63Å; F272-M323 HydrophobicContact CE2-CG 4.21Å; F272-M323 HydrophobicContact CG-CB 4Å; F272-M323 HydrophobicContact CG-CE 4.19Å; F272-M323 HydrophobicContact CG-CG 3.64Å; F272-M323 HydrophobicContact CZ-CB 4.3Å; F272-F324 HydrophobicContact CD1-CE2 4.29Å; F272-F324 AromaticContact CE1-CE2 3.87Å; F272-F324 HydrophobicContact CE1-CE2 3.87Å; F272-F324 HydrophobicContact CE1-CZ 4.44Å; F272-F324 HydrophobicContact CZ-CE2 4.08Å
273D90.6Very high93.7Very high12 Ų1233.4 Ų33.46%0.06419%0.187CC..EExtended strand (participates in β ladder)trans-88146.2174.449.1-12.8000112.6G111 T112 R279 M280 Y322G111-D273 WeakPolarHBondContact CA-OD2 3.39Å; T112-D273 WeakPolarHBondContact CB-OD2 3.41Å; T112-D273 PolarHBondContact N-OD2 3.5Å; T112-D273 WeakPolarHBondContact OG1-CB 3.08Å; T112-D273 PolarHBondContact OG1-OD2 3.01Å; D273-R279 WeakPolarHBondContact CA-O 3.47Å; D273-M280 HydrophobicContact CB-SD 3.64Å; D273-Y322 WeakPolarHBondContact O-CE1 3.29Å
274T91.1Very high93.7Very high7 Ų730.6 Ų30.64%0.04318%0.175CC..  trans-78.1154169.752.20000111.8D277 G278 R279 I281 Y315 A319T274-D277 PolarHBondContact OG1-OD1 3.27Å; T274-G278 WeakPolarHBondContact O-CA 3.36Å; T274-G278 PolarHBondContact O-N 2.99Å; T274-G278 PolarHBondContact OG1-N 3.32Å; T274-R279 PolarHBondContact N-O 2.85Å; T274-R279 PolarHBondContact OG1-N 3.44Å; T274-R279 PolarHBondContact OG1-O 3.39Å; T274-I281 HydrophobicContact CG2-CD1 3.22Å; T274-I281 HydrophobicContact CG2-CG1 3.89Å; T274-Y315 HydrophobicContact CG2-CE1 4.42Å; T274-Y315 WeakPolarHBondContact CG2-OH 2.96Å; T274-A319 HydrophobicContact CG2-CB 3.68Å
275E88.6Confident93.7Very high144 Ų14431.4 Ų31.467%0.67318%0.18SC*.THydrogen-bonded Turntrans-67.5-42.2174.3-167.6166.5-142.900112.9Y322E275-Y322 HydrophobicContact CB-CD1 4.15Å; E275-Y322 HydrophobicContact CB-CD2 3.52Å; E275-Y322 HydrophobicContact CB-CE1 4.18Å; E275-Y322 HydrophobicContact CB-CE2 3.52Å; E275-Y322 HydrophobicContact CB-CG 3.83Å; E275-Y322 HydrophobicContact CG-CD2 3.9Å; E275-Y322 HydrophobicContact CG-CE2 3.6Å
276K85.1Confident93.5Very high143 Ų14329 Ų2962%0.62216%0.162SC*.THydrogen-bonded Turntrans-68-44.7-167.4-74.5-179.9169.8171.70113.3D318K276-D318 WeakPolarHBondContact CE-OD2 3.43Å; K276-D318 IonicContact NZ-OD2 3.32Å; K276-D318 PolarHBondContact NZ-OD2 2.79Å
277D87.4Confident93.1Very high98 Ų9834.6 Ų34.652%0.52419%0.188SC..THydrogen-bonded Turntrans-137.22.7-170.564.8-8.3000113.8T274 R279 Y315T274-D277 PolarHBondContact OG1-OD1 3.27Å; D277-R279 PolarHBondContact O-N 3.06Å; D277-R279 VanDerWaalsContact OD1-CB 3.23Å; D277-R279 WeakPolarHBondContact OD1-CB 3.36Å; D277-R279 PolarHBondContact OD1-N 3.28Å; D277-R279 VanDerWaalsContact OD1-N 3.12Å; D277-Y315 PolarHBondContact OD1-OH 3.37Å
278G86.9Confident93.1Very high27 Ų2733.3 Ų33.328%0.27817%0.174SC..  trans65.514.6-177.900000113.6T274T274-G278 WeakPolarHBondContact O-CA 3.36Å; T274-G278 PolarHBondContact O-N 2.99Å; T274-G278 PolarHBondContact OG1-N 3.32Å
279R89.2Confident93.1Very high23 Ų2333.5 Ų33.59%0.08718%0.175CC..  trans-65.5137.5175.4-179.4177.6-179.286.83.8109.4R70 D273 T274 D277 T294 T295 D296R70-R279 VanDerWaalsContact NH1-NH2 3.16Å; D273-R279 WeakPolarHBondContact CA-O 3.47Å; T274-R279 PolarHBondContact N-O 2.85Å; T274-R279 PolarHBondContact OG1-N 3.44Å; T274-R279 PolarHBondContact OG1-O 3.39Å; D277-R279 PolarHBondContact O-N 3.06Å; D277-R279 VanDerWaalsContact OD1-CB 3.23Å; D277-R279 WeakPolarHBondContact OD1-CB 3.36Å; D277-R279 PolarHBondContact OD1-N 3.28Å; D277-R279 VanDerWaalsContact OD1-N 3.12Å; R279-T294 PolarHBondContact NE-O 2.72Å; R279-T294 PolarHBondContact NH2-O 2.79Å; R279-T295 PolarHBondContact NH2-O 3.47Å; R279-D296 IonicContact CZ-OD2 3.6Å; R279-D296 VanDerWaalsContact CZ-OD2 3.28Å; R279-D296 IonicContact NH1-OD2 3.4Å; R279-D296 PolarHBondContact NH1-OD2 3.02Å; R279-D296 VanDerWaalsContact NH2-CB 3.31Å; R279-D296 VanDerWaalsContact NH2-CG 3.32Å; R279-D296 IonicContact NH2-OD2 2.88Å; R279-D296 PolarHBondContact NH2-OD2 2.99Å
280M90.6Very high93.1Very high13 Ų1333.5 Ų33.56%0.06418%0.175CC..EExtended strand (participates in β ladder)trans-84.2132.9176.8-57.8-63-61.300112.4L105 F113 Y271 F272 D273L105-M280 HydrophobicContact CD1-CE 3.55Å; F113-M280 HydrophobicContact CD2-CE 4.39Å; F113-M280 HydrophobicContact CD2-SD 4.28Å; F113-M280 HydrophobicContact CE2-CE 3.91Å; F113-M280 HydrophobicContact CE2-CG 4.22Å; F113-M280 HydrophobicContact CE2-SD 3.61Å; Y271-M280 HydrophobicContact CD1-CE 3.65Å; Y271-M280 HydrophobicContact CD2-CB 4.2Å; Y271-M280 HydrophobicContact CD2-CE 4.31Å; Y271-M280 HydrophobicContact CE1-CB 4.02Å; Y271-M280 HydrophobicContact CE1-CE 3.65Å; Y271-M280 HydrophobicContact CE1-CG 4.19Å; Y271-M280 HydrophobicContact CE2-CB 3.32Å; Y271-M280 HydrophobicContact CE2-CE 4.33Å; Y271-M280 HydrophobicContact CE2-CG 4.35Å; Y271-M280 HydrophobicContact CG-CE 4.01Å; Y271-M280 WeakPolarHBondContact OH-CB 3.43Å; F272-M280 VanDerWaalsContact C-CE 3.47Å; F272-M280 CarbonylContact O-C 3.59Å; F272-M280 VanDerWaalsContact O-CA 3.25Å; F272-M280 WeakPolarHBondContact O-CA 3.27Å; D273-M280 HydrophobicContact CB-SD 3.64Å
281I93.4Very high93.1Very high0 Ų033.5 Ų33.50%018%0.175CC..EExtended strand (participates in β ladder)trans-129148.5-176.6-65.1-175.3000109.3Y271 F272 T274 V292 G293 Y315 L316 A319Y271-I281 CarbonylContact C-O 3.38Å; Y271-I281 WeakPolarHBondContact CA-O 3.38Å; Y271-I281 VanDerWaalsContact CD2-O 3.31Å; Y271-I281 WeakPolarHBondContact CD2-O 3.26Å; F272-I281 VanDerWaalsContact CD1-O 3.32Å; F272-I281 WeakPolarHBondContact CD1-O 3.35Å; F272-I281 HydrophobicContact CE1-CB 4.27Å; F272-I281 HydrophobicContact CE1-CG2 3.99Å; F272-I281 HydrophobicContact CE2-CB 4.28Å; F272-I281 HydrophobicContact CE2-CG2 4.41Å; F272-I281 HydrophobicContact CZ-CB 4.04Å; F272-I281 HydrophobicContact CZ-CG2 3.73Å; F272-I281 PolarHBondContact N-O 3.02Å; F272-I281 PolarHBondContact O-N 2.83Å; T274-I281 HydrophobicContact CG2-CD1 3.22Å; T274-I281 HydrophobicContact CG2-CG1 3.89Å; I281-V292 HydrophobicContact CG2-CG1 3.61Å; I281-G293 WeakPolarHBondContact CG2-O 3.19Å; I281-Y315 HydrophobicContact CD1-CE1 3.64Å; I281-L316 HydrophobicContact CD1-CD2 4Å; I281-A319 HydrophobicContact CD1-CB 3.71Å
282F96.6Very high93.3Very high18 Ų1833.3 Ų33.38%0.07917%0.174CC..EExtended strand (participates in β ladder)trans-101.7138.6173.5-60.3-88.3000109.9T62 L64 M103 V270 Y271 I284 V292 G293T62-F282 HydrophobicContact CG2-CB 4.15Å; T62-F282 HydrophobicContact CG2-CD2 3.88Å; T62-F282 HydrophobicContact CG2-CG 4.14Å; L64-F282 HydrophobicContact CD1-CD1 3.92Å; L64-F282 HydrophobicContact CD1-CE1 3.84Å; L64-F282 HydrophobicContact CD1-CE2 4.47Å; L64-F282 HydrophobicContact CD1-CG 4.26Å; L64-F282 HydrophobicContact CD1-CZ 4.13Å; M103-F282 HydrophobicContact CE-CD1 3.73Å; M103-F282 HydrophobicContact CE-CE1 4.14Å; M103-F282 HydrophobicContact SD-CD1 4.11Å; V270-F282 CarbonylContact O-C 3.3Å; V270-F282 WeakPolarHBondContact O-CA 3.43Å; Y271-F282 HydrophobicContact CD1-CE1 4.47Å; Y271-F282 AromaticContact CD2-CD1 3.43Å; Y271-F282 HydrophobicContact CD2-CD1 3.43Å; Y271-F282 VanDerWaalsContact CD2-CD1 3.43Å; Y271-F282 AromaticContact CD2-CD2 3.96Å; Y271-F282 HydrophobicContact CD2-CD2 3.96Å; Y271-F282 AromaticContact CD2-CE1 3.26Å; Y271-F282 HydrophobicContact CD2-CE1 3.26Å; Y271-F282 AromaticContact CD2-CE2 3.81Å; Y271-F282 HydrophobicContact CD2-CE2 3.81Å; Y271-F282 AromaticContact CD2-CG 3.8Å; Y271-F282 HydrophobicContact CD2-CG 3.8Å; Y271-F282 AromaticContact CD2-CZ 3.46Å; Y271-F282 HydrophobicContact CD2-CZ 3.46Å; Y271-F282 VanDerWaalsContact CD2-CZ 3.46Å; Y271-F282 HydrophobicContact CE2-CD1 4.13Å; Y271-F282 AromaticContact CE2-CD2 3.97Å; Y271-F282 HydrophobicContact CE2-CD2 3.97Å; Y271-F282 AromaticContact CE2-CE1 3.65Å; Y271-F282 HydrophobicContact CE2-CE1 3.65Å; Y271-F282 AromaticContact CE2-CE2 3.46Å; Y271-F282 HydrophobicContact CE2-CE2 3.46Å; Y271-F282 VanDerWaalsContact CE2-CE2 3.46Å; Y271-F282 HydrophobicContact CE2-CG 4.29Å; Y271-F282 AromaticContact CE2-CZ 3.29Å; Y271-F282 HydrophobicContact CE2-CZ 3.29Å; Y271-F282 HydrophobicContact CG-CD1 4.01Å; Y271-F282 AromaticContact CG-CE1 3.72Å; Y271-F282 HydrophobicContact CG-CE1 3.72Å; Y271-F282 HydrophobicContact CG-CZ 4.22Å; Y271-F282 AromaticContact CZ-CZ 3.96Å; F282-I284 HydrophobicContact CB-CD1 3.9Å; F282-I284 HydrophobicContact CB-CG1 4.11Å; F282-I284 HydrophobicContact CG-CD1 4.45Å; F282-V292 CarbonylContact O-C 3.28Å; F282-V292 VanDerWaalsContact O-CA 3.24Å; F282-V292 WeakPolarHBondContact O-CA 3.33Å; F282-V292 WeakPolarHBondContact O-CG1 3.41Å; F282-G293 PolarHBondContact N-O 3.41Å; F282-G293 PolarHBondContact O-N 2.84Å
283A98.5Very high93.5Very high0 Ų033.3 Ų33.30%017%0.174CC..EExtended strand (participates in β ladder)trans-118125.4159.100000107.4F264 L266 A269 V270 F272 Y291 V292 F324F264-A283 HydrophobicContact CE1-CB 4.36Å; F264-A283 HydrophobicContact CZ-CB 4.31Å; L266-A283 VanDerWaalsContact CD2-C 3.44Å; L266-A283 HydrophobicContact CD2-CB 3.73Å; A269-A283 CarbonylContact C-O 3.57Å; A269-A283 WeakPolarHBondContact CA-O 3.41Å; V270-A283 PolarHBondContact N-O 2.86Å; V270-A283 PolarHBondContact O-N 3.21Å; F272-A283 HydrophobicContact CE1-CB 3.89Å; A283-Y291 WeakPolarHBondContact CA-O 3.25Å; A283-V292 HydrophobicContact CB-CG1 4.45Å; A283-V292 HydrophobicContact CB-CG2 3.92Å; A283-F324 HydrophobicContact CB-CE2 4.08Å; A283-F324 HydrophobicContact CB-CZ 4.22Å
284I98Very high93.6Very high0 Ų033.2 Ų33.20%017%0.174CC..EExtended strand (participates in β ladder)trans-135128-170-59.7167.2000109.6T62 L64 M103 A269 F282 A290 Y291T62-I284 HydrophobicContact CG2-CD1 4.17Å; L64-I284 HydrophobicContact CD1-CD1 3.93Å; L64-I284 HydrophobicContact CD2-CD1 3.83Å; L64-I284 HydrophobicContact CG-CD1 3.96Å; M103-I284 HydrophobicContact CE-CD1 4.42Å; M103-I284 HydrophobicContact CE-CG1 4.3Å; A269-I284 HydrophobicContact CB-CG1 4.25Å; A269-I284 HydrophobicContact CB-CG2 4.41Å; F282-I284 HydrophobicContact CB-CD1 3.9Å; F282-I284 HydrophobicContact CB-CG1 4.11Å; F282-I284 HydrophobicContact CG-CD1 4.45Å; I284-A290 WeakPolarHBondContact O-CA 3.36Å; I284-Y291 HydrophobicContact CB-CD1 4.09Å; I284-Y291 HydrophobicContact CB-CE1 3.51Å; I284-Y291 HydrophobicContact CB-CE2 4.1Å; I284-Y291 HydrophobicContact CD1-CE1 4.46Å; I284-Y291 HydrophobicContact CD1-CE2 3.81Å; I284-Y291 WeakPolarHBondContact CD1-OH 3.26Å; I284-Y291 HydrophobicContact CG1-CE2 4.4Å; I284-Y291 HydrophobicContact CG2-CD1 4.42Å; I284-Y291 HydrophobicContact CG2-CE1 3.52Å; I284-Y291 PolarHBondContact N-O 2.84Å; I284-Y291 VanDerWaalsContact O-CD1 3.27Å; I284-Y291 WeakPolarHBondContact O-CD1 3.05Å; I284-Y291 PolarHBondContact O-N 3.01Å
285P97.2Very high93.8Very high17 Ų1733.1 Ų33.111%0.1117%0.174CC..EExtended strand (participates in β ladder)trans-76137.517230.5-31.7000110.8R167 L266 K289R167-P285 PolarHBondContact NH1-O 2.79Å; L266-P285 WeakPolarHBondContact O-CB 3.47Å; P285-K289 CarbonylContact C-O 3.56Å; P285-K289 VanDerWaalsContact CA-O 3.3Å; P285-K289 WeakPolarHBondContact CA-O 3.37Å
286R94.6Very high93.9Very high21 Ų2127.4 Ų27.48%0.07915%0.148CC..EExtended strand (participates in β ladder)trans-157.4130.3173.8177.8179.2175.3178.3-0.2109.6D169 G288 K289 Y291 F505D169-R286 IonicContact OD2-CZ 2.61Å; D169-R286 IonicContact OD2-NH1 2.8Å; D169-R286 IonicContact OD2-NH2 3.87Å; D169-R286 PolarHBondContact OD2-NH2 3.36Å; R286-G288 VanDerWaalsContact C-N 3.3Å; R286-G288 PolarHBondContact O-N 3.17Å; R286-K289 PolarHBondContact N-O 3.13Å; R286-K289 WeakPolarHBondContact O-CA 3.24Å; R286-K289 WeakPolarHBondContact O-CB 3.24Å; R286-K289 PolarHBondContact O-N 3.45Å; R286-Y291 HydrophobicContact CB-CD1 4.17Å; R286-Y291 HydrophobicContact CB-CE1 4Å; R286-F505 HydrophobicContact CB-CE1 4.4Å; R286-F505 HydrophobicContact CG-CD1 4.36Å; R286-F505 HydrophobicContact CG-CE1 4.41Å
287E89.7Confident94.2Very high117 Ų11722.1 Ų22.155%0.54713%0.128SC..THydrogen-bonded Turntrans52.243.1168.9-65.3166.4-145.400113.9K289E287-K289 PolarHBondContact O-N 3.49Å
288G95.1Very high94.4Very high39 Ų3918.2 Ų18.240%0.40211%0.106SC..THydrogen-bonded Turntrans75.16.5-177.900000114.7Q261 R286Q261-G288 WeakPolarHBondContact CB-O 2.94Å; Q261-G288 WeakPolarHBondContact CG-O 3.22Å; Q261-G288 PolarHBondContact N-O 3.07Å; R286-G288 VanDerWaalsContact C-N 3.3Å; R286-G288 PolarHBondContact O-N 3.17Å
289K97.7Very high94.6Very high20 Ų2017.9 Ų17.99%0.08710%0.097CC..EExtended strand (participates in β ladder)trans-115.6163.3176.7-49.1-59.3177.7175.90111.5V258 I259 D260 Q261 P285 R286 E287 E335 F505V258-K289 HydrophobicContact CG1-CB 3.65Å; V258-K289 HydrophobicContact CG1-CD 4.44Å; V258-K289 HydrophobicContact CG1-CG 3.92Å; I259-K289 CarbonylContact O-C 3.58Å; I259-K289 WeakPolarHBondContact O-CA 3.36Å; D260-K289 HydrophobicContact CB-CD 4.42Å; D260-K289 IonicContact OD2-NZ 3.56Å; D260-K289 PolarHBondContact OD2-NZ 3.36Å; Q261-K289 PolarHBondContact NE2-O 2.93Å; P285-K289 CarbonylContact C-O 3.56Å; P285-K289 VanDerWaalsContact CA-O 3.3Å; P285-K289 WeakPolarHBondContact CA-O 3.37Å; R286-K289 PolarHBondContact N-O 3.13Å; R286-K289 WeakPolarHBondContact O-CA 3.24Å; R286-K289 WeakPolarHBondContact O-CB 3.24Å; R286-K289 PolarHBondContact O-N 3.45Å; E287-K289 PolarHBondContact O-N 3.49Å; K289-E335 WeakPolarHBondContact CD-OE2 3.38Å; K289-E335 WeakPolarHBondContact CE-OE2 3.07Å; K289-E335 IonicContact NZ-OE1 3.36Å; K289-E335 PolarHBondContact NZ-OE1 2.84Å; K289-E335 IonicContact NZ-OE2 2.81Å; K289-E335 PolarHBondContact NZ-OE2 3.13Å; K289-F505 WeakPolarHBondContact CE-O 3.38Å; K289-F505 WeakPolarHBondContact CG-O 3.3Å
290A98.4Very high94.6Very high0 Ų022.4 Ų22.40%012%0.122CC..EExtended strand (participates in β ladder)trans-117.6122.216300000108.1I259 F264 L266 I284I259-A290 PolarHBondContact N-O 3.2Å; I259-A290 PolarHBondContact O-N 2.58Å; F264-A290 HydrophobicContact CB-CB 4.3Å; F264-A290 HydrophobicContact CD1-CB 3.68Å; F264-A290 HydrophobicContact CE1-CB 4.17Å; F264-A290 HydrophobicContact CG-CB 4.02Å; L266-A290 HydrophobicContact CB-CB 3.94Å; L266-A290 HydrophobicContact CD2-CB 4.22Å; I284-A290 WeakPolarHBondContact O-CA 3.36Å
291Y98.4Very high94.6Very high0 Ų024.9 Ų24.90%014%0.136CC..EExtended strand (participates in β ladder)trans-109.6142.2174.673.4-88.8000111.2T62 V257 A283 I284 R286 W338 F505T62-Y291 HydrophobicContact CG2-CE2 4.28Å; T62-Y291 VanDerWaalsContact O-CE2 3.25Å; T62-Y291 WeakPolarHBondContact O-CE2 3.24Å; T62-Y291 PolarHBondContact O-OH 3.4Å; V257-Y291 CarbonylContact O-C 3.48Å; V257-Y291 WeakPolarHBondContact O-CA 3.48Å; A283-Y291 WeakPolarHBondContact CA-O 3.25Å; I284-Y291 HydrophobicContact CB-CD1 4.09Å; I284-Y291 HydrophobicContact CB-CE1 3.51Å; I284-Y291 HydrophobicContact CB-CE2 4.1Å; I284-Y291 HydrophobicContact CD1-CE1 4.46Å; I284-Y291 HydrophobicContact CD1-CE2 3.81Å; I284-Y291 WeakPolarHBondContact CD1-OH 3.26Å; I284-Y291 HydrophobicContact CG1-CE2 4.4Å; I284-Y291 HydrophobicContact CG2-CD1 4.42Å; I284-Y291 HydrophobicContact CG2-CE1 3.52Å; I284-Y291 PolarHBondContact N-O 2.84Å; I284-Y291 VanDerWaalsContact O-CD1 3.27Å; I284-Y291 WeakPolarHBondContact O-CD1 3.05Å; I284-Y291 PolarHBondContact O-N 3.01Å; R286-Y291 HydrophobicContact CB-CD1 4.17Å; R286-Y291 HydrophobicContact CB-CE1 4Å; Y291-W338 AromaticContact CD2-CH2 3.61Å; Y291-W338 HydrophobicContact CD2-CH2 3.61Å; Y291-W338 HydrophobicContact CD2-CZ2 4.12Å; Y291-W338 HydrophobicContact CE2-CH2 4.29Å; Y291-W338 HydrophobicContact CE2-CZ2 4.5Å; Y291-W338 AromaticContact CG-CH2 3.92Å; Y291-W338 HydrophobicContact CG-CH2 3.92Å; Y291-F505 AromaticContact CD1-CE1 3.71Å; Y291-F505 HydrophobicContact CD1-CE1 3.71Å; Y291-F505 HydrophobicContact CD1-CZ 4.22Å; Y291-F505 HydrophobicContact CE1-CE1 4.35Å; Y291-F505 HydrophobicContact CG-CE1 4.11Å; Y291-F505 HydrophobicContact CG-CZ 4.5Å
292V98.6Very high94.5Very high0 Ų029.7 Ų29.70%016%0.161CC..EExtended strand (participates in β ladder)trans-131.6132.7-169.7-171.20000111.1H256 V257 F264 F272 I281 F282 A283 I320H256-V292 CarbonylContact C-O 3.57Å; H256-V292 WeakPolarHBondContact CA-O 3.34Å; V257-V292 HydrophobicContact CG2-CB 4.03Å; V257-V292 PolarHBondContact N-O 3.05Å; V257-V292 PolarHBondContact O-N 3.11Å; F264-V292 HydrophobicContact CD1-CG2 4.45Å; F264-V292 HydrophobicContact CE1-CG2 3.86Å; F272-V292 HydrophobicContact CZ-CG1 4.37Å; I281-V292 HydrophobicContact CG2-CG1 3.61Å; F282-V292 CarbonylContact O-C 3.28Å; F282-V292 VanDerWaalsContact O-CA 3.24Å; F282-V292 WeakPolarHBondContact O-CA 3.33Å; F282-V292 WeakPolarHBondContact O-CG1 3.41Å; A283-V292 HydrophobicContact CB-CG1 4.45Å; A283-V292 HydrophobicContact CB-CG2 3.92Å; V292-I320 HydrophobicContact CB-CD1 3.91Å; V292-I320 HydrophobicContact CB-CG1 4.12Å; V292-I320 HydrophobicContact CG1-CD1 4.05Å; V292-I320 HydrophobicContact CG1-CG1 3.73Å; V292-I320 HydrophobicContact CG2-CD1 3.7Å; V292-I320 HydrophobicContact CG2-CG1 3.87Å
293G97.1Very high94.4Very high0 Ų031 Ų310%017%0.166CC..EExtended strand (participates in β ladder)trans174.8172175.200000113.7H256 I281 F282H256-G293 VanDerWaalsContact CD2-CA 3.4Å; H256-G293 WeakPolarHBondContact CD2-CA 3.39Å; I281-G293 WeakPolarHBondContact CG2-O 3.19Å; F282-G293 PolarHBondContact N-O 3.41Å; F282-G293 PolarHBondContact O-N 2.84Å
294T94.3Very high94.1Very high10 Ų1033.4 Ų33.46%0.06118%0.183CC..  cis-133.6150.221-168.50000113.1G254 V255 H256 R279 R342G254-T294 VanDerWaalsContact C-OG1 3.26Å; G254-T294 VanDerWaalsContact CA-OG1 3.27Å; G254-T294 WeakPolarHBondContact CA-OG1 3.16Å; V255-T294 PolarHBondContact N-OG1 3.28Å; V255-T294 VanDerWaalsContact N-OG1 3.16Å; V255-T294 WeakPolarHBondContact O-CA 2.99Å; V255-T294 PolarHBondContact O-OG1 2.91Å; H256-T294 VanDerWaalsContact CE1-CB 3.43Å; H256-T294 WeakPolarHBondContact CE1-CB 3.12Å; H256-T294 PolarHBondContact CE1-OG1 3.31Å; R279-T294 PolarHBondContact NE-O 2.72Å; R279-T294 PolarHBondContact NH2-O 2.79Å; T294-R342 PolarHBondContact OG1-NH2 3.08Å
295T94.1Very high93.7Very high5 Ų534.8 Ų34.83%0.03119%0.193CC..  trans-66.8176165.269.40000111.6G254 V255 R279 D312 Y315 L316 R342G254-T295 WeakPolarHBondContact CA-O 3.36Å; V255-T295 HydrophobicContact CB-CG2 4.21Å; V255-T295 WeakPolarHBondContact CB-OG1 3.49Å; V255-T295 PolarHBondContact N-OG1 3.42Å; V255-T295 PolarHBondContact O-N 3.26Å; R279-T295 PolarHBondContact NH2-O 3.47Å; T295-D312 WeakPolarHBondContact CB-OD1 3.45Å; T295-D312 HydrophobicContact CG2-CB 4.32Å; T295-D312 PolarHBondContact OG1-OD1 3.31Å; T295-Y315 HydrophobicContact CG2-CD1 3.72Å; T295-Y315 HydrophobicContact CG2-CE1 4.17Å; T295-L316 HydrophobicContact CG2-CD1 4.17Å; T295-L316 HydrophobicContact CG2-CD2 4.12Å; T295-L316 HydrophobicContact CG2-CG 3.97Å; T295-R342 PolarHBondContact O-NH1 3.11Å
296D90.5Very high93.6Very high24 Ų2434.1 Ų34.113%0.12819%0.188CC..  trans-159.793.2177.4-132.9-5.8000109.7K253 R279 R342 P352 R357K253-D296 CarbonylContact O-C 3.55Å; K253-D296 VanDerWaalsContact O-CA 3.23Å; K253-D296 WeakPolarHBondContact O-CA 3.22Å; R279-D296 IonicContact CZ-OD2 3.6Å; R279-D296 VanDerWaalsContact CZ-OD2 3.28Å; R279-D296 IonicContact NH1-OD2 3.4Å; R279-D296 PolarHBondContact NH1-OD2 3.02Å; R279-D296 VanDerWaalsContact NH2-CB 3.31Å; R279-D296 VanDerWaalsContact NH2-CG 3.32Å; R279-D296 IonicContact NH2-OD2 2.88Å; R279-D296 PolarHBondContact NH2-OD2 2.99Å; D296-R342 IonicContact OD1-NH1 3.88Å; D296-R342 PolarHBondContact OD1-NH1 2.99Å; D296-P352 HydrophobicContact CB-CB 4.44Å; D296-R357 IonicContact OD1-NH2 3.81Å; D296-R357 IonicContact OD2-NH2 2.67Å; D296-R357 PolarHBondContact OD2-NH2 3.36Å
297T91.9Very high93.6Very high33 Ų3334 Ų3420%0.20219%0.189CC..EExtended strand (participates in β ladder)trans-116.3155.1176.865.40000109.3T252 K253T252-T297 CarbonylContact C-O 2.87Å; T252-T297 WeakPolarHBondContact CA-O 3.35Å; T252-T297 WeakPolarHBondContact CB-O 3.3Å; K253-T297 PolarHBondContact N-O 3.33Å; K253-T297 PolarHBondContact O-N 2.87Å
298F91.3Very high93.8Very high16 Ų1628.6 Ų28.67%0.0716%0.164CC..EExtended strand (participates in β ladder)trans-62152.6166.6-69.2-58.6000110.7R250 T252 P352 I355 V555 E557R250-F298 HydrophobicContact CG-CD1 3.99Å; R250-F298 HydrophobicContact CG-CE1 3.74Å; R250-F298 VanDerWaalsContact NH2-CG 3.33Å; T252-F298 HydrophobicContact CG2-CD1 4.1Å; T252-F298 HydrophobicContact CG2-CE1 4.46Å; F298-P352 HydrophobicContact CD1-CG 3.82Å; F298-P352 HydrophobicContact CD2-CG 3.92Å; F298-P352 HydrophobicContact CE1-CB 4.26Å; F298-P352 HydrophobicContact CE1-CG 3.58Å; F298-P352 HydrophobicContact CE2-CG 3.7Å; F298-P352 HydrophobicContact CG-CG 3.99Å; F298-P352 HydrophobicContact CZ-CG 3.54Å; F298-I355 HydrophobicContact CE1-CD1 4.46Å; F298-V555 HydrophobicContact CB-CB 4.48Å; F298-E557 HydrophobicContact CD2-CB 4.2Å; F298-E557 HydrophobicContact CD2-CG 4.38Å; F298-E557 HydrophobicContact CE2-CB 4.15Å; F298-E557 VanDerWaalsContact CE2-CD 3.42Å; F298-E557 HydrophobicContact CE2-CG 4.15Å; F298-E557 WeakPolarHBondContact CE2-OE2 3.39Å
299Y91.9Very high93.7Very high20 Ų2026.8 Ų26.88%0.07815%0.145CC..  trans-140.3127-177.4-167.6-97.9000111.3L251 K253 N301 I302 P306 I341L251-Y299 WeakPolarHBondContact CB-O 3.23Å; L251-Y299 PolarHBondContact O-N 3.46Å; K253-Y299 HydrophobicContact CB-CD2 3.84Å; K253-Y299 HydrophobicContact CB-CG 4.22Å; K253-Y299 HydrophobicContact CD-CD2 3.92Å; K253-Y299 HydrophobicContact CD-CE2 4.04Å; K253-Y299 HydrophobicContact CG-CD2 4.26Å; Y299-N301 HydrophobicContact CE1-CB 4.22Å; Y299-N301 VanDerWaalsContact CE1-O 3.24Å; Y299-N301 WeakPolarHBondContact CE1-O 3.13Å; Y299-N301 HydrophobicContact CE2-CB 3.98Å; Y299-I302 PolarHBondContact OH-O 2.84Å; Y299-P306 HydrophobicContact CE2-CB 4.22Å; Y299-P306 WeakPolarHBondContact OH-CA 3.12Å; Y299-I341 HydrophobicContact CD1-CD1 3.66Å; Y299-I341 HydrophobicContact CD1-CG1 3.84Å; Y299-I341 HydrophobicContact CD1-CG2 4.4Å; Y299-I341 HydrophobicContact CE1-CD1 3.31Å; Y299-I341 HydrophobicContact CE1-CG1 3.89Å; Y299-I341 HydrophobicContact CG-CG1 4.36Å
300D88.9Confident93.5Very high118 Ų11829.4 Ų29.463%0.63116%0.158SC*.  trans-13410.1176.967.11.4000113.4V555D300-V555 HydrophobicContact CB-CG2 4.25Å; D300-V555 WeakPolarHBondContact OD1-CG2 3.36Å
301N90.3Very high93.3Very high65 Ų6535 Ų3535%0.34818%0.184SC..SBendtrans-93.6-168.7-175.5-151.3-36.2000112Y299 K303Y299-N301 HydrophobicContact CE1-CB 4.22Å; Y299-N301 VanDerWaalsContact CE1-O 3.24Å; Y299-N301 WeakPolarHBondContact CE1-O 3.13Å; Y299-N301 HydrophobicContact CE2-CB 3.98Å; N301-K303 PolarHBondContact O-N 3.05Å; N301-K303 VanDerWaalsContact O-N 3.1Å
302I92Very high93.1Very high101 Ų10135.3 Ų35.352%0.51819%0.186SC..  trans-56.6113-177.2-63.2170000110.6Y299 S304 S305Y299-I302 PolarHBondContact OH-O 2.84Å; I302-S304 VanDerWaalsContact C-N 3.31Å; I302-S304 VanDerWaalsContact CG2-OG 3.26Å; I302-S304 WeakPolarHBondContact CG2-OG 3.09Å; I302-S304 PolarHBondContact O-N 3.19Å; I302-S305 CarbonylContact O-C 3.2Å
303K94.7Very high93Very high46 Ų4635.4 Ų35.420%0.219%0.186CC..SBendtrans-69.7-24.1-172.9-62.4164.2-169.8165.50114.4P232 W233 D236 L251 N301 I341P232-K303 HydrophobicContact CB-CD 4.49Å; W233-K303 HydrophobicContact CD2-CB 4.38Å; W233-K303 HydrophobicContact CG-CD 4.38Å; W233-K303 HydrophobicContact CH2-CB 4.31Å; W233-K303 WeakPolarHBondContact CH2-O 3.38Å; W233-K303 VanDerWaalsContact CZ2-C 3.4Å; W233-K303 HydrophobicContact CZ2-CB 3.51Å; W233-K303 WeakPolarHBondContact CZ2-O 3.39Å; D236-K303 IonicContact OD1-NZ 3.01Å; D236-K303 PolarHBondContact OD1-NZ 3.37Å; D236-K303 IonicContact OD2-NZ 2.58Å; D236-K303 PolarHBondContact OD2-NZ 2.78Å; L251-K303 HydrophobicContact CD1-CD 4.11Å; L251-K303 HydrophobicContact CD1-CG 4.14Å; N301-K303 PolarHBondContact O-N 3.05Å; N301-K303 VanDerWaalsContact O-N 3.1Å; K303-I341 VanDerWaalsContact CA-CD1 3.47Å; K303-I341 HydrophobicContact CB-CD1 3.97Å; K303-I341 HydrophobicContact CG-CD1 4.31Å; K303-I341 VanDerWaalsContact O-CD1 3.28Å; K303-I341 WeakPolarHBondContact O-CD1 3.3Å
304S92.5Very high92.9Very high50 Ų5038.9 Ų38.935%0.3520%0.204SC..SBendtrans-75.4-36.5-17745.40000112.4R60 I302 P306R60-S304 PolarHBondContact NH1-O 3.3Å; R60-S304 VanDerWaalsContact NH1-O 3.12Å; R60-S304 PolarHBondContact NH2-O 3.21Å; I302-S304 VanDerWaalsContact C-N 3.31Å; I302-S304 VanDerWaalsContact CG2-OG 3.26Å; I302-S304 WeakPolarHBondContact CG2-OG 3.09Å; I302-S304 PolarHBondContact O-N 3.19Å; S304-P306 VanDerWaalsContact C-CD 3.45Å; S304-P306 WeakPolarHBondContact O-CD 3.27Å
305S89.5Confident93Very high29 Ų2940.4 Ų40.420%0.20321%0.209CC..  trans-124.971.3177.9-162.10000111.7I302 Q552I302-S305 CarbonylContact O-C 3.2Å; S305-Q552 PolarHBondContact O-NE2 2.78Å
306P94.2Very high93.2Very high3 Ų340.1 Ų40.12%0.01921%0.208CC..  trans-67.2133.9162.831-32.7000108.7Y299 S304 A339 I341Y299-P306 HydrophobicContact CE2-CB 4.22Å; Y299-P306 WeakPolarHBondContact OH-CA 3.12Å; S304-P306 VanDerWaalsContact C-CD 3.45Å; S304-P306 WeakPolarHBondContact O-CD 3.27Å; P306-A339 HydrophobicContact CB-CB 4.14Å; P306-I341 HydrophobicContact CB-CD1 3.89Å; P306-I341 HydrophobicContact CB-CG1 3.74Å; P306-I341 HydrophobicContact CG-CD1 3.93Å; P306-I341 HydrophobicContact CG-CG1 3.9Å
307L93.8Very high93.5Very high19 Ų1939.7 Ų39.710%0.09921%0.205CC..  trans-127.6154.7-175.4-68170.2000111.5K253 E545 N550K253-L307 PolarHBondContact NZ-O 2.86Å; L307-E545 HydrophobicContact CD1-CG 4.01Å; L307-E545 HydrophobicContact CD2-CB 3.62Å; L307-E545 HydrophobicContact CD2-CG 3.55Å; L307-E545 HydrophobicContact CG-CG 4.47Å; L307-N550 HydrophobicContact CB-CB 4.19Å; L307-N550 WeakPolarHBondContact CB-ND2 3.23Å; L307-N550 VanDerWaalsContact CB-OD1 3.28Å; L307-N550 WeakPolarHBondContact CB-OD1 3.42Å; L307-N550 HydrophobicContact CD1-CB 4Å; L307-N550 WeakPolarHBondContact CD1-ND2 3.43Å
308T94.4Very high93.8Very high2 Ų241.5 Ų41.51%0.01221%0.214CC..  trans-76.1129.4176.6-60.30000109.3V255 D312 R313 T337 G549 N550V255-T308 HydrophobicContact CG1-CG2 3.53Å; V255-T308 WeakPolarHBondContact CG1-OG1 3.43Å; T308-D312 HydrophobicContact CG2-CB 4.08Å; T308-R313 HydrophobicContact CG2-CG 3.68Å; T308-T337 WeakPolarHBondContact CB-OG1 3.37Å; T308-T337 HydrophobicContact CG2-CG2 4.07Å; T308-T337 WeakPolarHBondContact OG1-CB 3.49Å; T308-T337 PolarHBondContact OG1-OG1 2.73Å; T308-G549 CarbonylContact O-C 3.59Å; T308-G549 WeakPolarHBondContact O-CA 3.4Å; T308-N550 PolarHBondContact O-N 3.26Å
309T94Very high94.1Very high2 Ų240.9 Ų40.91%0.01221%0.212CC..  trans-93.517017474.70000111.7E311 D312 R313 Q552T309-E311 VanDerWaalsContact C-N 3.27Å; T309-E311 WeakPolarHBondContact CB-OE2 3.4Å; T309-E311 PolarHBondContact O-N 2.81Å; T309-E311 PolarHBondContact OG1-N 3.15Å; T309-E311 PolarHBondContact OG1-OE2 3.18Å; T309-D312 PolarHBondContact N-OD2 3.3Å; T309-D312 VanDerWaalsContact N-OD2 3.15Å; T309-D312 WeakPolarHBondContact O-CB 3.46Å; T309-D312 PolarHBondContact O-N 3.25Å; T309-D312 PolarHBondContact OG1-N 3.22Å; T309-D312 PolarHBondContact OG1-OD2 3.08Å; T309-R313 WeakPolarHBondContact O-CG 3.44Å; T309-R313 PolarHBondContact O-N 3.1Å; T309-R313 VanDerWaalsContact O-N 3.12Å; T309-Q552 WeakPolarHBondContact CG2-O 3.26Å
310Q93.6Very high94.5Very high74 Ų7440 Ų4035%0.34621%0.208SC..Hα-helixtrans-61.5-38.4170.6-166.759.345.800111.5D312 R313 D314 D331Q310-D312 VanDerWaalsContact C-N 3.3Å; Q310-D312 PolarHBondContact O-N 3.25Å; Q310-R313 WeakPolarHBondContact O-CB 3.29Å; Q310-R313 PolarHBondContact O-N 3.25Å; Q310-R313 VanDerWaalsContact O-N 3.1Å; Q310-D314 PolarHBondContact NE2-OD1 2.88Å; Q310-D314 WeakPolarHBondContact O-CB 3.23Å; Q310-D314 PolarHBondContact O-N 3.36Å; Q310-D331 PolarHBondContact NE2-OD1 3.33Å
311E93.7Very high94.9Very high119 Ų11936.2 Ų36.256%0.55619%0.188SC*.Hα-helixtrans-63.8-36177.1-57.583.1177.900112.4T309 Y315T309-E311 VanDerWaalsContact C-N 3.27Å; T309-E311 WeakPolarHBondContact CB-OE2 3.4Å; T309-E311 PolarHBondContact O-N 2.81Å; T309-E311 PolarHBondContact OG1-N 3.15Å; T309-E311 PolarHBondContact OG1-OE2 3.18Å; E311-Y315 WeakPolarHBondContact O-CB 3.43Å; E311-Y315 PolarHBondContact O-N 3.24Å
312D95.1Very high95.2Very high6 Ų635.3 Ų35.33%0.03218%0.18CC..Hα-helixtrans-63.7-41.8172.9-74.1-60.8000111.3K253 V255 T295 T308 T309 Q310 L316K253-D312 VanDerWaalsContact CE-OD2 3.24Å; K253-D312 WeakPolarHBondContact CE-OD2 3.5Å; K253-D312 IonicContact NZ-OD2 3.81Å; K253-D312 PolarHBondContact NZ-OD2 3.06Å; V255-D312 HydrophobicContact CB-CB 4.07Å; V255-D312 HydrophobicContact CG1-CB 4.05Å; V255-D312 HydrophobicContact CG2-CB 3.93Å; V255-D312 WeakPolarHBondContact CG2-OD2 3.37Å; T295-D312 WeakPolarHBondContact CB-OD1 3.45Å; T295-D312 HydrophobicContact CG2-CB 4.32Å; T295-D312 PolarHBondContact OG1-OD1 3.31Å; T308-D312 HydrophobicContact CG2-CB 4.08Å; T309-D312 PolarHBondContact N-OD2 3.3Å; T309-D312 VanDerWaalsContact N-OD2 3.15Å; T309-D312 WeakPolarHBondContact O-CB 3.46Å; T309-D312 PolarHBondContact O-N 3.25Å; T309-D312 PolarHBondContact OG1-N 3.22Å; T309-D312 PolarHBondContact OG1-OD2 3.08Å; Q310-D312 VanDerWaalsContact C-N 3.3Å; Q310-D312 PolarHBondContact O-N 3.25Å; D312-L316 WeakPolarHBondContact O-CG 3.45Å; D312-L316 PolarHBondContact O-N 2.86Å
313R95.4Very high95.5Very high2 Ų230.5 Ų30.51%0.00816%0.155CC..Hα-helixtrans-64.3-54.1177.8-69.9169.6170.1-96.8-7111.1T308 T309 Q310 Y315 L316 I317 D331 I334 A546 Q547 H548T308-R313 HydrophobicContact CG2-CG 3.68Å; T309-R313 WeakPolarHBondContact O-CG 3.44Å; T309-R313 PolarHBondContact O-N 3.1Å; T309-R313 VanDerWaalsContact O-N 3.12Å; Q310-R313 WeakPolarHBondContact O-CB 3.29Å; Q310-R313 PolarHBondContact O-N 3.25Å; Q310-R313 VanDerWaalsContact O-N 3.1Å; R313-Y315 VanDerWaalsContact C-N 3.26Å; R313-Y315 PolarHBondContact O-N 3.26Å; R313-L316 PolarHBondContact O-N 3.17Å; R313-I317 VanDerWaalsContact O-CG1 3.31Å; R313-I317 WeakPolarHBondContact O-CG1 3.38Å; R313-I317 PolarHBondContact O-N 3.3Å; R313-D331 WeakPolarHBondContact CD-OD1 3.29Å; R313-D331 IonicContact NH1-OD1 3.57Å; R313-I334 HydrophobicContact CB-CD1 4.14Å; R313-I334 HydrophobicContact CG-CD1 4.12Å; R313-A546 PolarHBondContact NH2-O 3.05Å; R313-Q547 PolarHBondContact NH1-O 3.25Å; R313-Q547 PolarHBondContact NH2-O 3.01Å; R313-H548 PolarHBondContact NE-O 3.37Å
314D95.5Very high95.6Very high72 Ų7228.3 Ų28.339%0.38515%0.146SC..Hα-helixtrans-56.6-43.4180-65.2-11.5000110.8Q310 L316 I317 D318Q310-D314 PolarHBondContact NE2-OD1 2.88Å; Q310-D314 WeakPolarHBondContact O-CB 3.23Å; Q310-D314 PolarHBondContact O-N 3.36Å; D314-L316 VanDerWaalsContact C-N 3.34Å; D314-L316 PolarHBondContact O-N 3.05Å; D314-I317 PolarHBondContact O-N 3.11Å; D314-D318 WeakPolarHBondContact O-CB 3.27Å; D314-D318 VanDerWaalsContact O-CG 3.22Å; D314-D318 PolarHBondContact O-N 3.07Å
315Y96.4Very high95.9Very high42 Ų4229.5 Ų29.517%0.16515%0.152CC..Hα-helixtrans-59.6-42.3176.2175.4-87000112.6T274 D277 I281 T295 E311 R313 A319T274-Y315 HydrophobicContact CG2-CE1 4.42Å; T274-Y315 WeakPolarHBondContact CG2-OH 2.96Å; D277-Y315 PolarHBondContact OD1-OH 3.37Å; I281-Y315 HydrophobicContact CD1-CE1 3.64Å; T295-Y315 HydrophobicContact CG2-CD1 3.72Å; T295-Y315 HydrophobicContact CG2-CE1 4.17Å; E311-Y315 WeakPolarHBondContact O-CB 3.43Å; E311-Y315 PolarHBondContact O-N 3.24Å; R313-Y315 VanDerWaalsContact C-N 3.26Å; R313-Y315 PolarHBondContact O-N 3.26Å; Y315-A319 WeakPolarHBondContact O-CB 3.07Å; Y315-A319 PolarHBondContact O-N 3.25Å
316L97.8Very high96.2Very high0 Ų032.2 Ų32.20%017%0.172CC..Hα-helixtrans-74.5-37.3178.9-69174.9000112.1V255 V257 I281 T295 D312 R313 D314 A319 I320V255-L316 HydrophobicContact CG1-CD1 4.06Å; V257-L316 HydrophobicContact CB-CD1 4.45Å; V257-L316 HydrophobicContact CG1-CB 4.35Å; V257-L316 HydrophobicContact CG1-CD1 3.74Å; V257-L316 HydrophobicContact CG2-CB 4.12Å; V257-L316 HydrophobicContact CG2-CD1 4.15Å; I281-L316 HydrophobicContact CD1-CD2 4Å; T295-L316 HydrophobicContact CG2-CD1 4.17Å; T295-L316 HydrophobicContact CG2-CD2 4.12Å; T295-L316 HydrophobicContact CG2-CG 3.97Å; D312-L316 WeakPolarHBondContact O-CG 3.45Å; D312-L316 PolarHBondContact O-N 2.86Å; R313-L316 PolarHBondContact O-N 3.17Å; D314-L316 VanDerWaalsContact C-N 3.34Å; D314-L316 PolarHBondContact O-N 3.05Å; L316-A319 PolarHBondContact O-N 3.42Å; L316-I320 WeakPolarHBondContact O-CD1 3.31Å; L316-I320 WeakPolarHBondContact O-CG1 3.28Å; L316-I320 PolarHBondContact O-N 2.94Å
317I97.8Very high96.4Very high15 Ų1532.6 Ų32.68%0.07717%0.174CC..Hα-helixtrans-59.7-48.5173-68.6165000110.1R313 D314 A319 I320 N321 V329 D331 I334R313-I317 VanDerWaalsContact O-CG1 3.31Å; R313-I317 WeakPolarHBondContact O-CG1 3.38Å; R313-I317 PolarHBondContact O-N 3.3Å; D314-I317 PolarHBondContact O-N 3.11Å; I317-A319 VanDerWaalsContact C-N 3.33Å; I317-A319 PolarHBondContact O-N 2.84Å; I317-I320 PolarHBondContact O-N 2.63Å; I317-N321 WeakPolarHBondContact O-CB 3.15Å; I317-N321 PolarHBondContact O-N 3.25Å; I317-N321 PolarHBondContact O-ND2 3.16Å; I317-V329 HydrophobicContact CG1-CG1 4.23Å; I317-V329 WeakPolarHBondContact CG2-O 3.42Å; I317-D331 HydrophobicContact CD1-CB 4.09Å; I317-I334 HydrophobicContact CD1-CD1 3.91Å; I317-I334 HydrophobicContact CG1-CD1 4.06Å
318D97.9Very high96.5Very high71 Ų7136.7 Ų36.738%0.3820%0.196SC..Hα-helixtrans-58.9-45.1176.7-75.3-17.9000111.3K276 D314 I320 N321 Y322K276-D318 WeakPolarHBondContact CE-OD2 3.43Å; K276-D318 IonicContact NZ-OD2 3.32Å; K276-D318 PolarHBondContact NZ-OD2 2.79Å; D314-D318 WeakPolarHBondContact O-CB 3.27Å; D314-D318 VanDerWaalsContact O-CG 3.22Å; D314-D318 PolarHBondContact O-N 3.07Å; D318-I320 PolarHBondContact O-N 3.39Å; D318-N321 PolarHBondContact O-N 2.93Å; D318-Y322 WeakPolarHBondContact O-CB 3.42Å; D318-Y322 PolarHBondContact O-N 3.25Å
319A97.8Very high96.7Very high3 Ų336.7 Ų36.73%0.02520%0.196CC..Hα-helixtrans-61.3-43177.300000112.3F272 T274 I281 Y315 L316 I317 M323F272-A319 HydrophobicContact CE2-CB 4.24Å; F272-A319 WeakPolarHBondContact CE2-O 3.35Å; T274-A319 HydrophobicContact CG2-CB 3.68Å; I281-A319 HydrophobicContact CD1-CB 3.71Å; Y315-A319 WeakPolarHBondContact O-CB 3.07Å; Y315-A319 PolarHBondContact O-N 3.25Å; L316-A319 PolarHBondContact O-N 3.42Å; I317-A319 VanDerWaalsContact C-N 3.33Å; I317-A319 PolarHBondContact O-N 2.84Å; A319-M323 PolarHBondContact O-N 3.24Å
320I98.6Very high96.9Very high0 Ų039.2 Ų39.20%021%0.211CC..Hα-helixtrans-63.2-53.4177.2-66.7160.8000109.8V257 I259 F264 V292 L316 I317 D318 Y322 M323 F324 V329V257-I320 HydrophobicContact CG2-CD1 4.21Å; I259-I320 HydrophobicContact CD1-CD1 3.68Å; F264-I320 HydrophobicContact CD1-CG2 4.28Å; F264-I320 HydrophobicContact CE1-CG1 4.48Å; F264-I320 HydrophobicContact CE1-CG2 3.89Å; F264-I320 HydrophobicContact CZ-CG2 4.23Å; V292-I320 HydrophobicContact CB-CD1 3.91Å; V292-I320 HydrophobicContact CB-CG1 4.12Å; V292-I320 HydrophobicContact CG1-CD1 4.05Å; V292-I320 HydrophobicContact CG1-CG1 3.73Å; V292-I320 HydrophobicContact CG2-CD1 3.7Å; V292-I320 HydrophobicContact CG2-CG1 3.87Å; L316-I320 WeakPolarHBondContact O-CD1 3.31Å; L316-I320 WeakPolarHBondContact O-CG1 3.28Å; L316-I320 PolarHBondContact O-N 2.94Å; I317-I320 PolarHBondContact O-N 2.63Å; D318-I320 PolarHBondContact O-N 3.39Å; I320-Y322 PolarHBondContact O-N 3.12Å; I320-M323 PolarHBondContact O-N 3.33Å; I320-M323 VanDerWaalsContact O-N 3.15Å; I320-F324 HydrophobicContact CG2-CD2 4.18Å; I320-F324 WeakPolarHBondContact O-CA 3.38Å; I320-F324 WeakPolarHBondContact O-CB 3.36Å; I320-F324 WeakPolarHBondContact O-CD2 3.12Å; I320-F324 PolarHBondContact O-N 2.75Å; I320-V329 HydrophobicContact CG2-CB 4.29Å; I320-V329 HydrophobicContact CG2-CG2 3.66Å
321N98.2Very high97Very high40 Ų4038.4 Ų38.421%0.21421%0.209CC..Hα-helixtrans-65.8-27.9-177.4-72.6-28.8000112.4I317 D318 P325 N328 V329I317-N321 WeakPolarHBondContact O-CB 3.15Å; I317-N321 PolarHBondContact O-N 3.25Å; I317-N321 PolarHBondContact O-ND2 3.16Å; D318-N321 PolarHBondContact O-N 2.93Å; N321-P325 WeakPolarHBondContact O-CA 3.36Å; N321-N328 WeakPolarHBondContact OD1-CA 3.38Å; N321-N328 PolarHBondContact OD1-N 2.7Å; N321-V329 PolarHBondContact ND2-O 2.99Å; N321-V329 PolarHBondContact OD1-N 3.37Å
322Y96.6Very high97.1Very high45 Ų4541.6 Ų41.618%0.17622%0.224CC..Hα-helixtrans-66.8-44.8172.1171.2-105.9000112.9K153 D273 E275 D318 I320K153-Y322 WeakPolarHBondContact CD-O 3.48Å; K153-Y322 PolarHBondContact NZ-OH 2.63Å; K153-Y322 VanDerWaalsContact NZ-OH 3.11Å; D273-Y322 WeakPolarHBondContact O-CE1 3.29Å; E275-Y322 HydrophobicContact CB-CD1 4.15Å; E275-Y322 HydrophobicContact CB-CD2 3.52Å; E275-Y322 HydrophobicContact CB-CE1 4.18Å; E275-Y322 HydrophobicContact CB-CE2 3.52Å; E275-Y322 HydrophobicContact CB-CG 3.83Å; E275-Y322 HydrophobicContact CG-CD2 3.9Å; E275-Y322 HydrophobicContact CG-CE2 3.6Å; D318-Y322 WeakPolarHBondContact O-CB 3.42Å; D318-Y322 PolarHBondContact O-N 3.25Å; I320-Y322 PolarHBondContact O-N 3.12Å
323M97.4Very high97.2Very high0 Ų043.1 Ų43.10%023%0.232CC..Hα-helixtrans-85.6-27.7-178.1-17553.155.400113P106 H108 V152 K153 F272 A319 I320 P325P106-M323 HydrophobicContact CG-CE 4.44Å; P106-M323 HydrophobicContact CG-SD 3.86Å; H108-M323 VanDerWaalsContact CE1-SD 3.6Å; V152-M323 CarbonylContact C-O 3.6Å; V152-M323 HydrophobicContact CG1-SD 4.17Å; K153-M323 WeakPolarHBondContact CB-O 3.17Å; K153-M323 PolarHBondContact N-O 3.27Å; F272-M323 HydrophobicContact CB-CE 3.62Å; F272-M323 HydrophobicContact CB-CG 3.85Å; F272-M323 HydrophobicContact CB-SD 4.11Å; F272-M323 HydrophobicContact CD1-CG 4.2Å; F272-M323 HydrophobicContact CD2-CB 3.46Å; F272-M323 VanDerWaalsContact CD2-CB 3.46Å; F272-M323 HydrophobicContact CD2-CE 4.04Å; F272-M323 HydrophobicContact CD2-CG 3.66Å; F272-M323 HydrophobicContact CE2-CB 3.63Å; F272-M323 HydrophobicContact CE2-CG 4.21Å; F272-M323 HydrophobicContact CG-CB 4Å; F272-M323 HydrophobicContact CG-CE 4.19Å; F272-M323 HydrophobicContact CG-CG 3.64Å; F272-M323 HydrophobicContact CZ-CB 4.3Å; A319-M323 PolarHBondContact O-N 3.24Å; I320-M323 PolarHBondContact O-N 3.33Å; I320-M323 VanDerWaalsContact O-N 3.15Å; M323-P325 VanDerWaalsContact C-CD 3.49Å
324F98.4Very high97.3Very high0 Ų043.5 Ų43.50%023%0.234CC..SBendtrans-129.163.1-175.4-50.1-80.9000110.9E149 L151 V152 F264 L266 V270 F272 A283 I320 S326 V327E149-F324 HydrophobicContact CG-CE1 4.25Å; L151-F324 HydrophobicContact CB-CD1 3.74Å; L151-F324 WeakPolarHBondContact O-CA 3.42Å; V152-F324 HydrophobicContact CG2-CE1 3.94Å; F264-F324 HydrophobicContact CE1-CD2 4.46Å; F264-F324 HydrophobicContact CE2-CB 4.25Å; F264-F324 HydrophobicContact CE2-CD1 4.1Å; F264-F324 HydrophobicContact CE2-CD2 4.1Å; F264-F324 HydrophobicContact CE2-CE1 4.46Å; F264-F324 HydrophobicContact CE2-CE2 4.48Å; F264-F324 AromaticContact CE2-CG 3.89Å; F264-F324 HydrophobicContact CE2-CG 3.89Å; F264-F324 HydrophobicContact CZ-CB 4.46Å; F264-F324 HydrophobicContact CZ-CD1 4.24Å; F264-F324 AromaticContact CZ-CD2 3.54Å; F264-F324 HydrophobicContact CZ-CD2 3.54Å; F264-F324 HydrophobicContact CZ-CE1 4.36Å; F264-F324 AromaticContact CZ-CE2 3.7Å; F264-F324 HydrophobicContact CZ-CE2 3.7Å; F264-F324 AromaticContact CZ-CG 3.83Å; F264-F324 HydrophobicContact CZ-CG 3.83Å; F264-F324 HydrophobicContact CZ-CZ 4.1Å; L266-F324 HydrophobicContact CD1-CE1 3.97Å; L266-F324 HydrophobicContact CD1-CZ 4.12Å; V270-F324 HydrophobicContact CB-CZ 3.9Å; V270-F324 HydrophobicContact CG1-CZ 3.97Å; V270-F324 HydrophobicContact CG2-CE1 4.16Å; V270-F324 HydrophobicContact CG2-CZ 4.01Å; F272-F324 HydrophobicContact CD1-CE2 4.29Å; F272-F324 AromaticContact CE1-CE2 3.87Å; F272-F324 HydrophobicContact CE1-CE2 3.87Å; F272-F324 HydrophobicContact CE1-CZ 4.44Å; F272-F324 HydrophobicContact CZ-CE2 4.08Å; A283-F324 HydrophobicContact CB-CE2 4.08Å; A283-F324 HydrophobicContact CB-CZ 4.22Å; I320-F324 HydrophobicContact CG2-CD2 4.18Å; I320-F324 WeakPolarHBondContact O-CA 3.38Å; I320-F324 WeakPolarHBondContact O-CB 3.36Å; I320-F324 WeakPolarHBondContact O-CD2 3.12Å; I320-F324 PolarHBondContact O-N 2.75Å; F324-S326 PolarHBondContact O-N 2.97Å; F324-V327 HydrophobicContact CB-CB 4.45Å; F324-V327 HydrophobicContact CB-CG2 3.74Å; F324-V327 WeakPolarHBondContact O-CB 3.09Å; F324-V327 PolarHBondContact O-N 2.89Å
325P97.5Very high97.4Very high75 Ų7542.5 Ų42.549%0.48723%0.227SC..THydrogen-bonded Turntrans-64.1-19.3-166.625.3-36.2000115.2K153 N321 M323 V327K153-P325 HydrophobicContact CB-CG 4.21Å; K153-P325 HydrophobicContact CG-CG 4.29Å; N321-P325 WeakPolarHBondContact O-CA 3.36Å; M323-P325 VanDerWaalsContact C-CD 3.49Å; P325-V327 VanDerWaalsContact C-N 3.33Å
326S97.1Very high97.4Very high87 Ų8740.5 Ų40.561%0.60822%0.219SC*.THydrogen-bonded Turntrans-80.9-11.7177.456.80000114F324F324-S326 PolarHBondContact O-N 2.97Å
327V97.7Very high97.4Very high11 Ų1140.7 Ų40.77%0.06722%0.221CC..THydrogen-bonded Turntrans-79.1-35.8-176.6-176.60000110.9L151 K263 F264 F324 P325 V329L151-V327 HydrophobicContact CD1-CG2 4.1Å; L151-V327 HydrophobicContact CD2-CG2 4.2Å; K263-V327 WeakPolarHBondContact CE-O 3.09Å; K263-V327 PolarHBondContact NZ-O 3.2Å; K263-V327 WeakPolarHBondContact O-CG1 3.2Å; F264-V327 HydrophobicContact CB-CG1 3.89Å; F264-V327 HydrophobicContact CD2-CB 4.49Å; F264-V327 HydrophobicContact CD2-CG1 3.94Å; F264-V327 HydrophobicContact CD2-CG2 3.79Å; F264-V327 HydrophobicContact CE2-CG2 4.05Å; F264-V327 HydrophobicContact CG-CG1 4Å; F324-V327 HydrophobicContact CB-CB 4.45Å; F324-V327 HydrophobicContact CB-CG2 3.74Å; F324-V327 WeakPolarHBondContact O-CB 3.09Å; F324-V327 PolarHBondContact O-N 2.89Å; P325-V327 VanDerWaalsContact C-N 3.33Å; V327-V329 HydrophobicContact CB-CG2 4.27Å; V327-V329 HydrophobicContact CG1-CG2 3.42Å; V327-V329 VanDerWaalsContact CG1-CG2 3.42Å; V327-V329 PolarHBondContact O-N 3.33Å
328N96.2Very high97.4Very high105 Ų10540.2 Ų40.256%0.56122%0.218SC*.  trans49.854.8-179.7-170.545.3000112.3K263 N321K263-N328 VanDerWaalsContact CE-O 3.24Å; K263-N328 WeakPolarHBondContact CE-O 3.37Å; K263-N328 PolarHBondContact NZ-O 3.16Å; N321-N328 WeakPolarHBondContact OD1-CA 3.38Å; N321-N328 PolarHBondContact OD1-N 2.7Å
329V98.1Very high97.3Very high2 Ų237 Ų371%0.01220%0.201CC..  trans-64.3138.5176175.60000109.7I259 I317 I320 N321 V327 D333I259-V329 HydrophobicContact CD1-CB 4.49Å; I259-V329 HydrophobicContact CD1-CG1 3.58Å; I259-V329 HydrophobicContact CD1-CG2 4.05Å; I317-V329 HydrophobicContact CG1-CG1 4.23Å; I317-V329 WeakPolarHBondContact CG2-O 3.42Å; I320-V329 HydrophobicContact CG2-CB 4.29Å; I320-V329 HydrophobicContact CG2-CG2 3.66Å; N321-V329 PolarHBondContact ND2-O 2.99Å; N321-V329 PolarHBondContact OD1-N 3.37Å; V327-V329 HydrophobicContact CB-CG2 4.27Å; V327-V329 HydrophobicContact CG1-CG2 3.42Å; V327-V329 VanDerWaalsContact CG1-CG2 3.42Å; V327-V329 PolarHBondContact O-N 3.33Å; V329-D333 HydrophobicContact CG1-CB 4.27Å
330T97.7Very high97.2Very high54 Ų5436.9 Ų36.933%0.33120%0.2SC..  trans-123.8171173.564.10000109.7E332 D333T330-E332 PolarHBondContact O-N 2.9Å; T330-D333 PolarHBondContact N-OD2 3.39Å; T330-D333 WeakPolarHBondContact O-CB 3.36Å; T330-D333 PolarHBondContact O-N 3.22Å; T330-D333 VanDerWaalsContact O-N 3.13Å; T330-D333 PolarHBondContact OG1-OD2 2.92Å
331D95.5Very high97.1Very high58 Ų5837 Ų3731%0.3120%0.201SC..G310 helixtrans-61.8-34179.9-168.173.1000112.7Q310 R313 I317 D333 I334Q310-D331 PolarHBondContact NE2-OD1 3.33Å; R313-D331 WeakPolarHBondContact CD-OD1 3.29Å; R313-D331 IonicContact NH1-OD1 3.57Å; I317-D331 HydrophobicContact CD1-CB 4.09Å; D331-D333 PolarHBondContact O-N 2.78Å; D331-I334 WeakPolarHBondContact O-CB 3.49Å; D331-I334 PolarHBondContact O-N 3.21Å; D331-I334 VanDerWaalsContact O-N 3.13Å
332E95.7Very high96.8Very high186 Ų18637.3 Ų37.387%0.86920%0.199SC*.G310 helixtrans-63.8-21.2177-63.5178.1-179.300113.3T330 I334T330-E332 PolarHBondContact O-N 2.9Å; E332-I334 VanDerWaalsContact C-N 3.31Å
333D97.4Very high96.6Very high37 Ų3736 Ų3620%0.19820%0.196CC..G310 helixtrans-81.8-9.7179.1-61-64.8000112.7I259 K263 V329 T330 D331 E335I259-D333 HydrophobicContact CG2-CB 4.35Å; K263-D333 VanDerWaalsContact CD-OD1 3.29Å; K263-D333 WeakPolarHBondContact CD-OD1 3.46Å; K263-D333 VanDerWaalsContact CE-CG 3.46Å; K263-D333 WeakPolarHBondContact CE-OD1 3.38Å; K263-D333 WeakPolarHBondContact CE-OD2 3.31Å; K263-D333 HydrophobicContact CG-CB 3.95Å; K263-D333 WeakPolarHBondContact CG-OD1 3.46Å; K263-D333 IonicContact NZ-OD1 2.72Å; K263-D333 IonicContact NZ-OD2 2.94Å; K263-D333 PolarHBondContact NZ-OD2 2.97Å; V329-D333 HydrophobicContact CG1-CB 4.27Å; T330-D333 PolarHBondContact N-OD2 3.39Å; T330-D333 WeakPolarHBondContact O-CB 3.36Å; T330-D333 PolarHBondContact O-N 3.22Å; T330-D333 VanDerWaalsContact O-N 3.13Å; T330-D333 PolarHBondContact OG1-OD2 2.92Å; D331-D333 PolarHBondContact O-N 2.78Å; D333-E335 PolarHBondContact O-N 2.47Å
334I97.4Very high96.2Very high11 Ų1136.3 Ų36.36%0.05620%0.198CC..EExtended strand (participates in β ladder)trans-82110.4178.6-61.5172.7000109.2V257 I259 R313 I317 D331 E332 S336 T337V257-I334 HydrophobicContact CB-CD1 4.2Å; V257-I334 HydrophobicContact CB-CG1 4.27Å; V257-I334 HydrophobicContact CB-CG2 4.08Å; V257-I334 HydrophobicContact CG1-CD1 3.8Å; V257-I334 HydrophobicContact CG1-CG1 4.4Å; V257-I334 HydrophobicContact CG1-CG2 4.25Å; I259-I334 HydrophobicContact CG1-CG1 4.43Å; R313-I334 HydrophobicContact CB-CD1 4.14Å; R313-I334 HydrophobicContact CG-CD1 4.12Å; I317-I334 HydrophobicContact CD1-CD1 3.91Å; I317-I334 HydrophobicContact CG1-CD1 4.06Å; D331-I334 WeakPolarHBondContact O-CB 3.49Å; D331-I334 PolarHBondContact O-N 3.21Å; D331-I334 VanDerWaalsContact O-N 3.13Å; E332-I334 VanDerWaalsContact C-N 3.31Å; I334-S336 WeakPolarHBondContact CG2-O 3.49Å; I334-T337 HydrophobicContact CG2-CG2 3.54Å
335E97.3Very high95.5Very high50 Ų5036.8 Ų36.823%0.23420%0.2CC..EExtended strand (participates in β ladder)trans-77.2-38.7178-66.6-171.8150.700112.4V258 K289 D333 I507V258-E335 PolarHBondContact O-N 3.41Å; K289-E335 WeakPolarHBondContact CD-OE2 3.38Å; K289-E335 WeakPolarHBondContact CE-OE2 3.07Å; K289-E335 IonicContact NZ-OE1 3.36Å; K289-E335 PolarHBondContact NZ-OE1 2.84Å; K289-E335 IonicContact NZ-OE2 2.81Å; K289-E335 PolarHBondContact NZ-OE2 3.13Å; D333-E335 PolarHBondContact O-N 2.47Å; E335-I507 HydrophobicContact CB-CG2 4.42Å
336S97.9Very high94.8Very high0 Ų037.1 Ų37.10%019%0.192CC..EExtended strand (participates in β ladder)trans-156.2162.3-176.978.80000111.7V258 I334 Y504 A546V258-S336 WeakPolarHBondContact CB-OG 3.3Å; V258-S336 VanDerWaalsContact CG2-OG 3.28Å; V258-S336 WeakPolarHBondContact CG2-OG 3.43Å; V258-S336 PolarHBondContact N-O 3.03Å; I334-S336 WeakPolarHBondContact CG2-O 3.49Å; S336-Y504 VanDerWaalsContact OG-CA 3.29Å; S336-Y504 WeakPolarHBondContact OG-CA 3.21Å; S336-Y504 PolarHBondContact OG-O 2.6Å; S336-A546 CarbonylContact C-O 3.55Å; S336-A546 WeakPolarHBondContact CA-O 3.25Å
337T97.8Very high93.8Very high4 Ų435.6 Ų35.63%0.02518%0.176CC..EExtended strand (participates in β ladder)trans-142.6157.6177.668.40000110.5H256 V257 T308 I334 Y504 A546H256-T337 VanDerWaalsContact O-CA 3.26Å; H256-T337 WeakPolarHBondContact O-CA 3.2Å; H256-T337 WeakPolarHBondContact O-CB 3.46Å; V257-T337 HydrophobicContact CB-CG2 4.37Å; V257-T337 HydrophobicContact CG1-CG2 3.86Å; T308-T337 WeakPolarHBondContact CB-OG1 3.37Å; T308-T337 HydrophobicContact CG2-CG2 4.07Å; T308-T337 WeakPolarHBondContact OG1-CB 3.49Å; T308-T337 PolarHBondContact OG1-OG1 2.73Å; I334-T337 HydrophobicContact CG2-CG2 3.54Å; T337-Y504 WeakPolarHBondContact O-CE1 3.33Å; T337-A546 PolarHBondContact N-O 2.69Å; T337-A546 PolarHBondContact OG1-O 2.89Å; T337-A546 VanDerWaalsContact OG1-O 3.1Å
338W96.9Very high92.9Very high5 Ų543 Ų432%0.01921%0.209CC..EExtended strand (participates in β ladder)trans-139.8150.2164.270.585.1000110.8S61 K63 V255 H256 V258 Y291 Y504 F505S61-W338 PolarHBondContact O-NE1 2.72Å; K63-W338 HydrophobicContact CG-CZ2 4.37Å; V255-W338 WeakPolarHBondContact CA-O 3.21Å; H256-W338 HydrophobicContact CB-CD2 3.86Å; H256-W338 VanDerWaalsContact CB-CE2 3.41Å; H256-W338 HydrophobicContact CB-CE3 4.15Å; H256-W338 HydrophobicContact CB-CH2 3.66Å; H256-W338 HydrophobicContact CB-CZ2 3.31Å; H256-W338 HydrophobicContact CB-CZ3 4.07Å; H256-W338 AromaticContact CD2-CZ2 3.77Å; H256-W338 AromaticContact CE1-NE1 3.93Å; H256-W338 AromaticContact CG-CE2 3.52Å; H256-W338 AromaticContact CG-CZ2 3.32Å; H256-W338 AromaticContact CG-NE1 3.65Å; H256-W338 PolarHBondContact N-O 3.25Å; H256-W338 AromaticContact ND1-CE2 3.55Å; H256-W338 AromaticContact ND1-CZ2 3.73Å; H256-W338 AromaticContact ND1-NE1 3.14Å; H256-W338 PolarHBondContact ND1-NE1 3.27Å; H256-W338 VanDerWaalsContact ND1-NE1 3.14Å; H256-W338 PolarHBondContact O-N 2.94Å; H256-W338 VanDerWaalsContact O-N 3.13Å; V258-W338 HydrophobicContact CG2-CE3 4.16Å; V258-W338 HydrophobicContact CG2-CH2 4.41Å; V258-W338 HydrophobicContact CG2-CZ3 3.46Å; V258-W338 VanDerWaalsContact CG2-CZ3 3.46Å; Y291-W338 AromaticContact CD2-CH2 3.61Å; Y291-W338 HydrophobicContact CD2-CH2 3.61Å; Y291-W338 HydrophobicContact CD2-CZ2 4.12Å; Y291-W338 HydrophobicContact CE2-CH2 4.29Å; Y291-W338 HydrophobicContact CE2-CZ2 4.5Å; Y291-W338 AromaticContact CG-CH2 3.92Å; Y291-W338 HydrophobicContact CG-CH2 3.92Å; W338-Y504 HydrophobicContact CB-CD1 4.22Å; W338-Y504 HydrophobicContact CB-CE1 3.68Å; W338-Y504 HydrophobicContact CB-CE2 4.22Å; W338-Y504 HydrophobicContact CE3-CD1 4.21Å; W338-Y504 HydrophobicContact CE3-CD2 4.3Å; W338-Y504 AromaticContact CE3-CG 3.96Å; W338-Y504 HydrophobicContact CE3-CG 3.96Å; W338-F505 AromaticContact CH2-CZ 3.95Å; W338-F505 HydrophobicContact CH2-CZ 3.95Å; W338-F505 HydrophobicContact CZ3-CE1 4.45Å; W338-F505 AromaticContact CZ3-CZ 4Å; W338-F505 HydrophobicContact CZ3-CZ 4Å
339A96.4Very high92Very high3 Ų342 Ų423%0.02522%0.223CC..EExtended strand (participates in β ladder)trans-119.2140.6172.500000110.2R60 K253 G254 V255 P306R60-A339 WeakPolarHBondContact CD-O 3.38Å; R60-A339 WeakPolarHBondContact CG-O 3.49Å; R60-A339 PolarHBondContact NE-O 2.59Å; K253-A339 HydrophobicContact CD-CB 4.12Å; K253-A339 HydrophobicContact CG-CB 4.13Å; G254-A339 CarbonylContact O-C 3.54Å; G254-A339 WeakPolarHBondContact O-CA 3.36Å; V255-A339 HydrophobicContact CG2-CB 3.86Å; P306-A339 HydrophobicContact CB-CB 4.14Å
340G95.8Very high90.9Very high1 Ų145.7 Ų45.71%0.0124%0.24CC..EExtended strand (participates in β ladder)trans-127.4142.5177.300000112.1K253 G254K253-G340 CarbonylContact C-O 3.5Å; K253-G340 WeakPolarHBondContact CA-O 3.36Å; G254-G340 PolarHBondContact N-O 3.16Å; G254-G340 PolarHBondContact O-N 2.71Å
341I95.6Very high89.9Confident4 Ų447.6 Ų47.62%0.02125%0.248CC..EExtended strand (participates in β ladder)trans-97.6133176.5-59.1164.7000109.6T57 P232 L251 T252 Y299 K303 P306T57-I341 WeakPolarHBondContact CB-O 3.31Å; T57-I341 WeakPolarHBondContact CG2-O 3.44Å; T57-I341 PolarHBondContact OG1-O 3.03Å; P232-I341 HydrophobicContact CB-CB 4.41Å; P232-I341 HydrophobicContact CB-CG2 3.92Å; P232-I341 HydrophobicContact CG-CB 3.97Å; P232-I341 HydrophobicContact CG-CG2 3.86Å; L251-I341 HydrophobicContact CB-CG2 3.89Å; L251-I341 HydrophobicContact CD1-CG2 4.12Å; L251-I341 HydrophobicContact CD2-CG2 4.16Å; L251-I341 HydrophobicContact CG-CG2 4.27Å; T252-I341 CarbonylContact O-C 3.58Å; T252-I341 VanDerWaalsContact O-CA 3.31Å; T252-I341 WeakPolarHBondContact O-CA 3.38Å; Y299-I341 HydrophobicContact CD1-CD1 3.66Å; Y299-I341 HydrophobicContact CD1-CG1 3.84Å; Y299-I341 HydrophobicContact CD1-CG2 4.4Å; Y299-I341 HydrophobicContact CE1-CD1 3.31Å; Y299-I341 HydrophobicContact CE1-CG1 3.89Å; Y299-I341 HydrophobicContact CG-CG1 4.36Å; K303-I341 VanDerWaalsContact CA-CD1 3.47Å; K303-I341 HydrophobicContact CB-CD1 3.97Å; K303-I341 HydrophobicContact CG-CD1 4.31Å; K303-I341 VanDerWaalsContact O-CD1 3.28Å; K303-I341 WeakPolarHBondContact O-CD1 3.3Å; P306-I341 HydrophobicContact CB-CD1 3.89Å; P306-I341 HydrophobicContact CB-CG1 3.74Å; P306-I341 HydrophobicContact CG-CD1 3.93Å; P306-I341 HydrophobicContact CG-CG1 3.9Å
342R92.3Very high88.9Confident45 Ų4545.5 Ų45.517%0.1724%0.237CC..EExtended strand (participates in β ladder)trans-106.4119.8176.8-53.6177.1178.5100.812.9109.5L251 T252 G254 T294 T295 D296 L344L251-R342 WeakPolarHBondContact CA-O 3.38Å; T252-R342 PolarHBondContact N-O 3.27Å; T252-R342 PolarHBondContact O-N 3.2Å; T252-R342 WeakPolarHBondContact OG1-CB 3.42Å; G254-R342 VanDerWaalsContact CA-NH1 3.26Å; T294-R342 PolarHBondContact OG1-NH2 3.08Å; T295-R342 PolarHBondContact O-NH1 3.11Å; D296-R342 IonicContact OD1-NH1 3.88Å; D296-R342 PolarHBondContact OD1-NH1 2.99Å; R342-L344 HydrophobicContact CB-CD2 4.18Å; R342-L344 HydrophobicContact CB-CG 4.37Å; R342-L344 PolarHBondContact O-N 3.14Å
343P91.6Very high88Confident17 Ų1738.6 Ų38.611%0.1121%0.209CC..EExtended strand (participates in β ladder)trans-81.896.2174.431-31.2000110.5L249 L251 G373L249-P343 HydrophobicContact CD1-CB 3.68Å; L251-P343 HydrophobicContact CD2-CB 4.1Å; P343-G373 WeakPolarHBondContact O-CA 3.43Å
344L88.8Confident86.9Confident8 Ų841.5 Ų41.54%0.04222%0.222CC..EExtended strand (participates in β ladder)trans-95.4146.8179.1-51.1177.9000110L249 R250 T252 R342 Y346 I355 R357L249-L344 CarbonylContact C-O 3.44Å; L249-L344 VanDerWaalsContact CA-O 3.23Å; L249-L344 WeakPolarHBondContact CA-O 3.42Å; L249-L344 WeakPolarHBondContact CD2-O 3.44Å; R250-L344 PolarHBondContact N-O 2.91Å; R250-L344 VanDerWaalsContact O-CB 3.31Å; R250-L344 WeakPolarHBondContact O-CB 3.5Å; R250-L344 PolarHBondContact O-N 3.5Å; T252-L344 HydrophobicContact CG2-CD1 3.74Å; R342-L344 HydrophobicContact CB-CD2 4.18Å; R342-L344 HydrophobicContact CB-CG 4.37Å; R342-L344 PolarHBondContact O-N 3.14Å; L344-Y346 PolarHBondContact O-N 3.37Å; L344-I355 HydrophobicContact CB-CB 4.43Å; L344-I355 HydrophobicContact CB-CG2 3.69Å; L344-I355 HydrophobicContact CD1-CB 4.05Å; L344-I355 HydrophobicContact CD1-CD1 4.27Å; L344-I355 HydrophobicContact CD1-CG2 4.22Å; L344-R357 VanDerWaalsContact CD1-NH1 3.34Å
345I85.1Confident85.8Confident10 Ų1041 Ų415%0.05122%0.219CC..EExtended strand (participates in β ladder)trans-70.4127.2173.2-49.8-53.3000108L249 E347 I355 E360 W362 A372L249-I345 HydrophobicContact CD2-CD1 3.82Å; I345-E347 PolarHBondContact O-N 3.25Å; I345-I355 WeakPolarHBondContact O-CG2 3.32Å; I345-E360 HydrophobicContact CD1-CB 4.41Å; I345-E360 HydrophobicContact CG1-CG 4.16Å; I345-W362 HydrophobicContact CD1-CH2 4.01Å; I345-W362 HydrophobicContact CD1-CZ2 3.79Å; I345-W362 HydrophobicContact CG2-CZ2 4.24Å; I345-A372 HydrophobicContact CD1-CB 3.87Å
346Y82.4Confident84.8Confident82 Ų8239.6 Ų39.632%0.32222%0.215SC..PPolyproline II helixtrans-60.8127.4-177177.4-93.7000111.6K248 R250 L344 E348K248-Y346 HydrophobicContact CD-CG 4.39Å; K248-Y346 HydrophobicContact CG-CD1 4.39Å; K248-Y346 HydrophobicContact CG-CG 4.02Å; K248-Y346 WeakPolarHBondContact O-CB 3.3Å; K248-Y346 PolarHBondContact O-N 3.19Å; K248-Y346 VanDerWaalsContact O-N 3.14Å; R250-Y346 HydrophobicContact CB-CD2 4.12Å; L344-Y346 PolarHBondContact O-N 3.37Å; Y346-E348 HydrophobicContact CE1-CB 4.01Å
347E76.4Confident83.6Confident55 Ų5540.7 Ų40.726%0.25722%0.219SC..  trans-127.1125.1170.4-67.1-179.1-135.600107.6I345 K350 I355 S356I345-E347 PolarHBondContact O-N 3.25Å; E347-K350 HydrophobicContact CB-CD 3.98Å; E347-K350 HydrophobicContact CB-CG 4.45Å; E347-K350 WeakPolarHBondContact OE2-CD 3.21Å; E347-K350 VanDerWaalsContact OE2-CE 3.23Å; E347-K350 WeakPolarHBondContact OE2-CE 3.2Å; E347-K350 IonicContact OE2-NZ 2.65Å; E347-K350 PolarHBondContact OE2-NZ 2.98Å; E347-I355 HydrophobicContact CG-CG2 4.42Å; E347-S356 WeakPolarHBondContact OE1-CB 3.38Å; E347-S356 PolarHBondContact OE1-N 3.33Å
348E77.8Confident82.9Confident166 Ų16646 Ų4678%0.77624%0.242SC*.THydrogen-bonded Turntrans-70.2136.4-174.5-170.4167.2-160.900111.9Y346Y346-E348 HydrophobicContact CE1-CB 4.01Å
349G77.9Confident82.4Confident83 Ų8347.4 Ų47.486%0.85625%0.25SS*.THydrogen-bonded Turntrans7617174.300000116.2
350K75.3Confident82.2Confident81 Ų8150.5 Ų50.535%0.35226%0.264SS..  trans-111.7138.2-178.9-70.5-166.4177-176.70113.3E347 E354 I355E347-K350 HydrophobicContact CB-CD 3.98Å; E347-K350 HydrophobicContact CB-CG 4.45Å; E347-K350 WeakPolarHBondContact OE2-CD 3.21Å; E347-K350 VanDerWaalsContact OE2-CE 3.23Å; E347-K350 WeakPolarHBondContact OE2-CE 3.2Å; E347-K350 IonicContact OE2-NZ 2.65Å; E347-K350 PolarHBondContact OE2-NZ 2.98Å; K350-E354 HydrophobicContact CB-CB 4.26Å; K350-E354 HydrophobicContact CD-CB 4.38Å; K350-I355 HydrophobicContact CB-CG1 3.94Å
351D77.2Confident82.1Confident93 Ų9353 Ų5350%0.49728%0.277SS..  trans-61.3154.2171.3-75.3-30.6000111.9S353 E354 I355D351-S353 PolarHBondContact O-N 2.67Å; D351-E354 HydrophobicContact CB-CG 4.19Å; D351-E354 PolarHBondContact O-N 3.41Å; D351-I355 PolarHBondContact O-N 3.26Å
352P73.7Confident81.9Confident15 Ų1553.8 Ų53.810%0.09728%0.279CS..THydrogen-bonded Turntrans-47-38.2178.7-29.634.7000114.4T252 D296 F298 R357T252-P352 HydrophobicContact CG2-CB 3.68Å; T252-P352 HydrophobicContact CG2-CG 4.44Å; D296-P352 HydrophobicContact CB-CB 4.44Å; F298-P352 HydrophobicContact CD1-CG 3.82Å; F298-P352 HydrophobicContact CD2-CG 3.92Å; F298-P352 HydrophobicContact CE1-CB 4.26Å; F298-P352 HydrophobicContact CE1-CG 3.58Å; F298-P352 HydrophobicContact CE2-CG 3.7Å; F298-P352 HydrophobicContact CG-CG 3.99Å; F298-P352 HydrophobicContact CZ-CG 3.54Å; P352-R357 PolarHBondContact O-NH1 3.18Å; P352-R357 PolarHBondContact O-NH2 2.88Å
353S76.4Confident82Confident40 Ų4055.3 Ų55.328%0.2829%0.288SS..THydrogen-bonded Turntrans-78.3-15.3-178.447.40000115.1Q74 D351Q74-S353 PolarHBondContact NE2-O 3.14Å; D351-S353 PolarHBondContact O-N 2.67Å
354E74.1Confident82Confident98 Ų9855.3 Ų55.346%0.45829%0.291SS..THydrogen-bonded Turntrans-99.2-21.2-174-63.8-165.2148.200114K350 D351K350-E354 HydrophobicContact CB-CB 4.26Å; K350-E354 HydrophobicContact CD-CB 4.38Å; D351-E354 HydrophobicContact CB-CG 4.19Å; D351-E354 PolarHBondContact O-N 3.41Å
355I75.2Confident82.3Confident1 Ų163.9 Ų63.91%0.00533%0.328CS..SBendtrans-59.8137.6177.8-59.9169.4000110.3R250 F298 L344 I345 E347 K350 D351 R357R250-I355 HydrophobicContact CB-CD1 4.07Å; R250-I355 HydrophobicContact CG-CD1 3.82Å; F298-I355 HydrophobicContact CE1-CD1 4.46Å; L344-I355 HydrophobicContact CB-CB 4.43Å; L344-I355 HydrophobicContact CB-CG2 3.69Å; L344-I355 HydrophobicContact CD1-CB 4.05Å; L344-I355 HydrophobicContact CD1-CD1 4.27Å; L344-I355 HydrophobicContact CD1-CG2 4.22Å; I345-I355 WeakPolarHBondContact O-CG2 3.32Å; E347-I355 HydrophobicContact CG-CG2 4.42Å; K350-I355 HydrophobicContact CB-CG1 3.94Å; D351-I355 PolarHBondContact O-N 3.26Å; I355-R357 PolarHBondContact O-NH1 2.99Å
356S75.3Confident82.8Confident21 Ų2163.4 Ų63.415%0.14733%0.326CS..  trans-55.1143.9179.9-179.40000112.3E347 K358E347-S356 WeakPolarHBondContact OE1-CB 3.38Å; E347-S356 PolarHBondContact OE1-N 3.33Å; S356-K358 WeakPolarHBondContact OG-CG 3.26Å; S356-K358 PolarHBondContact OG-N 2.84Å
357R73.9Confident83.5Confident22 Ų2259.8 Ų59.88%0.08331%0.313CS..  trans-103.917.5176-56.6-57.9-160.9-107.911.7112.7Y71 D296 L344 P352 I355Y71-R357 HydrophobicContact CD1-CG 4.46Å; Y71-R357 HydrophobicContact CE1-CB 4.04Å; Y71-R357 HydrophobicContact CE1-CG 3.44Å; Y71-R357 VanDerWaalsContact CE1-CG 3.44Å; D296-R357 IonicContact OD1-NH2 3.81Å; D296-R357 IonicContact OD2-NH2 2.67Å; D296-R357 PolarHBondContact OD2-NH2 3.36Å; L344-R357 VanDerWaalsContact CD1-NH1 3.34Å; P352-R357 PolarHBondContact O-NH1 3.18Å; P352-R357 PolarHBondContact O-NH2 2.88Å; I355-R357 PolarHBondContact O-NH1 2.99Å
358K82.5Confident84.5Confident116 Ų11657.3 Ų57.350%0.50430%0.302SS..  trans-73.1153173.1-68.9-175.9177.4-174.50110.3V79 S356 G374V79-K358 HydrophobicContact CG2-CD 4.27Å; V79-K358 HydrophobicContact CG2-CG 3.72Å; S356-K358 WeakPolarHBondContact OG-CG 3.26Å; S356-K358 PolarHBondContact OG-N 2.84Å; K358-G374 PolarHBondContact O-N 2.89Å
359D87Confident85.4Confident35 Ų3549.4 Ų49.419%0.18727%0.265CS..EExtended strand (participates in β ladder)trans-80.6157.3161.957.1-64.5000111.4A372 M382D359-A372 CarbonylContact C-O 3.56Å; D359-A372 WeakPolarHBondContact CA-O 3.36Å; D359-M382 HydrophobicContact CB-CG 4.11Å; D359-M382 HydrophobicContact CB-SD 3.55Å; D359-M382 VanDerWaalsContact CB-SD 3.55Å
360E91.2Very high86.3Confident67 Ų6745.6 Ų45.631%0.31323%0.225SC..EExtended strand (participates in β ladder)trans-134.3143.1168.7-70.3-171.8-164.600109.8K247 I345 W362 I371 A372K247-E360 IonicContact NZ-OE1 3.25Å; K247-E360 IonicContact NZ-OE2 3.67Å; K247-E360 PolarHBondContact NZ-OE2 3.06Å; I345-E360 HydrophobicContact CD1-CB 4.41Å; I345-E360 HydrophobicContact CG1-CG 4.16Å; E360-W362 HydrophobicContact CB-CZ2 4.34Å; E360-W362 PolarHBondContact OE2-NE1 3.34Å; E360-I371 WeakPolarHBondContact O-CA 3.32Å; E360-A372 PolarHBondContact N-O 2.79Å; E360-A372 PolarHBondContact O-N 3.44Å
361I94.3Very high87.3Confident55 Ų5541.9 Ų41.928%0.28221%0.209SC..EExtended strand (participates in β ladder)trans-106.2129.8170.1-62.1166.2000108.7T370 I371 D385 I386 L389I361-T370 CarbonylContact C-O 3.57Å; I361-T370 VanDerWaalsContact CA-O 3.3Å; I361-T370 WeakPolarHBondContact CA-O 3.34Å; I361-I371 HydrophobicContact CG1-CB 4.38Å; I361-I371 HydrophobicContact CG1-CD1 4.11Å; I361-I371 HydrophobicContact CG1-CG1 4.16Å; I361-D385 HydrophobicContact CD1-CB 3.81Å; I361-I386 HydrophobicContact CD1-CB 3.75Å; I361-I386 HydrophobicContact CD1-CG1 4.41Å; I361-I386 HydrophobicContact CG1-CB 4.29Å; I361-I386 HydrophobicContact CG1-CD1 4.47Å; I361-I386 HydrophobicContact CG2-CD1 4.24Å; I361-I386 HydrophobicContact CG2-CG1 4.37Å; I361-L389 HydrophobicContact CG2-CD2 3.82Å
362W92.5Very high88.1Confident20 Ų2037.7 Ų37.78%0.07619%0.187CC..EExtended strand (participates in β ladder)trans-121.7143.2176.5-51.5-33.2000110.5V234 K247 L249 I345 E360 L369 T370 A372V234-W362 HydrophobicContact CG1-CZ3 4.39Å; K247-W362 HydrophobicContact CB-CD2 4.24Å; K247-W362 HydrophobicContact CB-CE3 4.16Å; K247-W362 HydrophobicContact CB-CH2 3.75Å; K247-W362 HydrophobicContact CB-CZ2 3.81Å; K247-W362 HydrophobicContact CB-CZ3 3.94Å; K247-W362 HydrophobicContact CD-CZ2 3.96Å; K247-W362 HydrophobicContact CG-CD2 4.32Å; K247-W362 HydrophobicContact CG-CZ2 4.08Å; L249-W362 HydrophobicContact CD2-CH2 4.34Å; I345-W362 HydrophobicContact CD1-CH2 4.01Å; I345-W362 HydrophobicContact CD1-CZ2 3.79Å; I345-W362 HydrophobicContact CG2-CZ2 4.24Å; E360-W362 HydrophobicContact CB-CZ2 4.34Å; E360-W362 PolarHBondContact OE2-NE1 3.34Å; W362-L369 CarbonylContact O-C 3.55Å; W362-L369 WeakPolarHBondContact O-CA 3.37Å; W362-T370 HydrophobicContact CE3-CG2 3.98Å; W362-T370 HydrophobicContact CZ3-CG2 4.4Å; W362-T370 PolarHBondContact N-O 3.14Å; W362-T370 PolarHBondContact O-N 2.84Å; W362-A372 HydrophobicContact CH2-CB 4.25Å; W362-A372 HydrophobicContact CZ3-CB 4.36Å
363E93.9Very high88.8Confident77 Ų7737.6 Ų37.636%0.3619%0.189SC..EExtended strand (participates in β ladder)trans-119.5119.3172.7-170.6171.4-166.500108.7L368 L369 R393E363-L368 WeakPolarHBondContact CA-O 3.43Å; E363-L369 HydrophobicContact CB-CD2 3.8Å; E363-L369 HydrophobicContact CG-CD2 3.72Å; E363-R393 WeakPolarHBondContact OE1-CD 3.4Å; E363-R393 IonicContact OE1-CZ 3.9Å; E363-R393 IonicContact OE1-NE 3.81Å; E363-R393 PolarHBondContact OE1-NE 2.85Å; E363-R393 IonicContact OE1-NH2 3.34Å; E363-R393 IonicContact OE2-CZ 2.72Å; E363-R393 IonicContact OE2-NE 2.79Å; E363-R393 PolarHBondContact OE2-NE 3.14Å; E363-R393 VanDerWaalsContact OE2-NE 3.13Å; E363-R393 IonicContact OE2-NH2 3.13Å; E363-R393 PolarHBondContact OE2-NH2 2.88Å
364G92.3Very high89.3Confident17 Ų1737 Ų3718%0.17519%0.19CC..  trans-75165.4175.100000112.4S366 G367 L368G364-S366 PolarHBondContact O-N 3.36Å; G364-G367 PolarHBondContact O-N 3.3Å; G364-L368 PolarHBondContact N-O 2.74Å
365K93.6Very high89.9Confident187 Ų18733.9 Ų33.981%0.81318%0.175SC*.THydrogen-bonded Turntrans-63.8-23.4175.9-62.5-177.5178.5178.10113.2Q204 A243 G367Q204-K365 PolarHBondContact NE2-O 2.78Å; Q204-K365 VanDerWaalsContact NE2-O 3.09Å; A243-K365 HydrophobicContact CB-CB 3.95Å; K365-G367 PolarHBondContact O-N 3.3Å
366S96Very high90.7Very high0 Ų035.1 Ų35.10%018%0.181CC..THydrogen-bonded Turntrans-78.1-3.317464.60000112.9Q204 V205 D241 G364 L368Q204-S366 CarbonylContact C-O 3.37Å; Q204-S366 VanDerWaalsContact CA-O 3.25Å; Q204-S366 WeakPolarHBondContact CA-O 3.42Å; Q204-S366 PolarHBondContact OE1-O 3.19Å; V205-S366 PolarHBondContact N-O 3.25Å; D241-S366 PolarHBondContact OD1-OG 3.45Å; D241-S366 WeakPolarHBondContact OD2-CB 3.2Å; D241-S366 PolarHBondContact OD2-OG 2.88Å; G364-S366 PolarHBondContact O-N 3.36Å; S366-L368 VanDerWaalsContact C-N 3.29Å; S366-L368 PolarHBondContact O-N 3.04Å; S366-L368 PolarHBondContact OG-N 3.27Å
367G96.6Very high91.5Very high6 Ų634.3 Ų34.36%0.06218%0.175CC..  trans80.72.5-174.900000114.7G364 K365 L369G364-G367 PolarHBondContact O-N 3.3Å; K365-G367 PolarHBondContact O-N 3.3Å; G367-L369 PolarHBondContact O-N 3.03Å
368L97.3Very high92.4Very high4 Ų433.4 Ų33.42%0.02117%0.173CC..  trans-62.4119.5172.1178.863.2000110.1F197 V205 V226 N228 R238 D241 E363 G364 S366F197-L368 HydrophobicContact CE1-CD1 3.75Å; F197-L368 HydrophobicContact CE1-CD2 4.19Å; F197-L368 HydrophobicContact CE2-CD2 3.89Å; F197-L368 HydrophobicContact CZ-CD1 3.94Å; F197-L368 HydrophobicContact CZ-CD2 3.56Å; F197-L368 HydrophobicContact CZ-CG 4.41Å; V205-L368 HydrophobicContact CG2-CB 4.2Å; V226-L368 HydrophobicContact CB-CD1 4.01Å; V226-L368 HydrophobicContact CG1-CD1 3.77Å; N228-L368 HydrophobicContact CB-CD1 4.41Å; R238-L368 HydrophobicContact CG-CD2 4.42Å; D241-L368 HydrophobicContact CB-CD2 4.11Å; E363-L368 WeakPolarHBondContact CA-O 3.43Å; G364-L368 PolarHBondContact N-O 2.74Å; S366-L368 VanDerWaalsContact C-N 3.29Å; S366-L368 PolarHBondContact O-N 3.04Å; S366-L368 PolarHBondContact OG-N 3.27Å
369L97.8Very high93.1Very high0 Ų028.1 Ų28.10%015%0.15CC..EExtended strand (participates in β ladder)trans-89.7133.6172.8-68168.3000109V226 V227 N228 W362 E363 G367 I386 L389 V390V226-L369 PolarHBondContact O-N 3.5Å; V227-L369 CarbonylContact C-O 3.47Å; V227-L369 WeakPolarHBondContact CA-O 3.2Å; V227-L369 HydrophobicContact CG2-CB 3.93Å; V227-L369 HydrophobicContact CG2-CD1 4.28Å; N228-L369 PolarHBondContact N-O 3.01Å; W362-L369 CarbonylContact O-C 3.55Å; W362-L369 WeakPolarHBondContact O-CA 3.37Å; E363-L369 HydrophobicContact CB-CD2 3.8Å; E363-L369 HydrophobicContact CG-CD2 3.72Å; G367-L369 PolarHBondContact O-N 3.03Å; L369-I386 HydrophobicContact CB-CD1 4.3Å; L369-L389 HydrophobicContact CD2-CD2 3.56Å; L369-L389 HydrophobicContact CD2-CG 4.08Å; L369-V390 HydrophobicContact CD1-CB 4.49Å; L369-V390 HydrophobicContact CD1-CG2 3.5Å; L369-V390 VanDerWaalsContact CD1-CG2 3.5Å
370T96.9Very high93.6Very high3 Ų327.1 Ų27.12%0.01814%0.144CC..EExtended strand (participates in β ladder)trans-126.3135.5176.2-62.90000108.9N228 V234 I361 W362N228-T370 HydrophobicContact CB-CG2 4.38Å; N228-T370 WeakPolarHBondContact O-CA 3.29Å; V234-T370 HydrophobicContact CB-CG2 4.49Å; V234-T370 HydrophobicContact CG1-CG2 3.36Å; V234-T370 HydrophobicContact CG2-CG2 4.35Å; I361-T370 CarbonylContact C-O 3.57Å; I361-T370 VanDerWaalsContact CA-O 3.3Å; I361-T370 WeakPolarHBondContact CA-O 3.34Å; W362-T370 HydrophobicContact CE3-CG2 3.98Å; W362-T370 HydrophobicContact CZ3-CG2 4.4Å; W362-T370 PolarHBondContact N-O 3.14Å; W362-T370 PolarHBondContact O-N 2.84Å
371I96.3Very high93.8Very high3 Ų326 Ų262%0.01514%0.138CC..EExtended strand (participates in β ladder)trans-116134164.4-172.6163.6000109.6T30 I34 V227 N228 A229 E360 I361 M382 I386T30-I371 HydrophobicContact CG2-CD1 4.14Å; T30-I371 HydrophobicContact CG2-CG1 4.38Å; T30-I371 HydrophobicContact CG2-CG2 3.61Å; I34-I371 HydrophobicContact CD1-CG2 3.98Å; V227-I371 HydrophobicContact CG1-CG2 4.47Å; N228-I371 PolarHBondContact O-N 3.49Å; A229-I371 HydrophobicContact CB-CG2 3.89Å; E360-I371 WeakPolarHBondContact O-CA 3.32Å; I361-I371 HydrophobicContact CG1-CB 4.38Å; I361-I371 HydrophobicContact CG1-CD1 4.11Å; I361-I371 HydrophobicContact CG1-CG1 4.16Å; I371-M382 HydrophobicContact CD1-CB 3.83Å; I371-M382 HydrophobicContact CD1-CG 4.43Å; I371-I386 HydrophobicContact CB-CD1 3.76Å; I371-I386 HydrophobicContact CD1-CG2 4.44Å; I371-I386 HydrophobicContact CG2-CD1 4.02Å
372A92.6Very high93.8Very high4 Ų423.4 Ų23.43%0.03313%0.125CC..EExtended strand (participates in β ladder)trans-140.7153.1-179.900000111.6V234 L249 I345 D359 E360 W362V234-A372 HydrophobicContact CG1-CB 4.18Å; V234-A372 HydrophobicContact CG2-CB 4.34Å; L249-A372 HydrophobicContact CD2-CB 3.92Å; I345-A372 HydrophobicContact CD1-CB 3.87Å; D359-A372 CarbonylContact C-O 3.56Å; D359-A372 WeakPolarHBondContact CA-O 3.36Å; E360-A372 PolarHBondContact N-O 2.79Å; E360-A372 PolarHBondContact O-N 3.44Å; W362-A372 HydrophobicContact CH2-CB 4.25Å; W362-A372 HydrophobicContact CZ3-CB 4.36Å
373G89.5Confident94.1Very high14 Ų1422.5 Ų22.514%0.14412%0.122CC..EExtended strand (participates in β ladder)trans78.4-154.2-177.200000113.4P343P343-G373 WeakPolarHBondContact O-CA 3.43Å
374G86.7Confident94.3Very high28 Ų2821.3 Ų21.329%0.28912%0.116SC..  trans79.5-179.6-178.400000115.1K358K358-G374 PolarHBondContact O-N 2.89Å
375K86.6Confident94.6Very high32 Ų3223.4 Ų23.414%0.13912%0.123CC..  trans-120.1151-177.7-65.3177.8-171.6158.60110.7T83 T377 G378 M382T83-K375 HydrophobicContact CG2-CD 4.09Å; K375-T377 PolarHBondContact O-N 3.14Å; K375-G378 PolarHBondContact O-N 3.34Å; K375-M382 VanDerWaalsContact O-CE 3.25Å; K375-M382 WeakPolarHBondContact O-CE 3.26Å
376L92.7Very high94.8Very high26 Ų2614.5 Ų14.514%0.1368%0.084CC..G310 helixtrans-49.1-45170.7176.9149.4000111.7I29 V65 T168 D170 L173 G378 Y379I29-L376 HydrophobicContact CG1-CG 4.33Å; I29-L376 HydrophobicContact CG2-CB 4.41Å; I29-L376 HydrophobicContact CG2-CG 4.48Å; V65-L376 HydrophobicContact CG2-CD2 4.25Å; T168-L376 HydrophobicContact CG2-CD2 4.42Å; D170-L376 HydrophobicContact CB-CD1 3.56Å; L173-L376 HydrophobicContact CD2-CD1 4.34Å; L173-L376 HydrophobicContact CD2-CD2 3.48Å; L173-L376 VanDerWaalsContact CD2-CD2 3.48Å; L173-L376 HydrophobicContact CD2-CG 4Å; L376-G378 PolarHBondContact O-N 3.08Å; L376-G378 VanDerWaalsContact O-N 3.14Å; L376-Y379 WeakPolarHBondContact O-CB 3.24Å; L376-Y379 VanDerWaalsContact O-CD1 3.28Å; L376-Y379 WeakPolarHBondContact O-CD1 3.39Å; L376-Y379 PolarHBondContact O-N 3.5Å
377T91.8Very high95Very high4 Ų414.5 Ų14.53%0.0258%0.084CC..G310 helixtrans-54-35.4177.4-50.60000114.1V65 H66 T83 E86 R87 K375V65-T377 HydrophobicContact CG1-CG2 3.54Å; H66-T377 PolarHBondContact N-OG1 3.01Å; H66-T377 PolarHBondContact O-OG1 3.23Å; T83-T377 WeakPolarHBondContact O-CG2 3.46Å; E86-T377 HydrophobicContact CB-CG2 4.45Å; E86-T377 VanDerWaalsContact CB-O 3.28Å; E86-T377 WeakPolarHBondContact CB-O 3.43Å; R87-T377 HydrophobicContact CB-CG2 3.8Å; K375-T377 PolarHBondContact O-N 3.14Å
378G92.6Very high95.1Very high4 Ų416.5 Ų16.54%0.0419%0.094CC..G310 helixtrans-92.78.3-174.500000114.4K375 L376 R380 H381 M382K375-G378 PolarHBondContact O-N 3.34Å; L376-G378 PolarHBondContact O-N 3.08Å; L376-G378 VanDerWaalsContact O-N 3.14Å; G378-R380 PolarHBondContact O-N 3.26Å; G378-R380 VanDerWaalsContact O-N 3.13Å; G378-H381 PolarHBondContact O-N 2.66Å; G378-H381 VanDerWaalsContact O-N 3.14Å; G378-M382 WeakPolarHBondContact O-CG 3.45Å; G378-M382 PolarHBondContact O-N 3.39Å
379Y96.2Very high95.2Very high4 Ų418 Ų182%0.01610%0.102CC..Hα-helixtrans-55.3-37.5-169.782.2-92.1000113.9I29 V90 L173 V177 L376 A383I29-Y379 HydrophobicContact CD1-CD1 3.98Å; I29-Y379 HydrophobicContact CD1-CD2 4.21Å; I29-Y379 HydrophobicContact CD1-CE1 4.32Å; I29-Y379 HydrophobicContact CD1-CG 3.93Å; I29-Y379 HydrophobicContact CG1-CD1 3.85Å; I29-Y379 HydrophobicContact CG1-CD2 4.2Å; I29-Y379 HydrophobicContact CG1-CG 3.58Å; V90-Y379 HydrophobicContact CG2-CD1 4.28Å; V90-Y379 HydrophobicContact CG2-CE1 3.69Å; L173-Y379 HydrophobicContact CD2-CE1 4.49Å; V177-Y379 HydrophobicContact CG1-CE2 3.89Å; V177-Y379 HydrophobicContact CG2-CE1 4.41Å; V177-Y379 HydrophobicContact CG2-CE2 3.78Å; V177-Y379 WeakPolarHBondContact CG2-OH 3.36Å; L376-Y379 WeakPolarHBondContact O-CB 3.24Å; L376-Y379 VanDerWaalsContact O-CD1 3.28Å; L376-Y379 WeakPolarHBondContact O-CD1 3.39Å; L376-Y379 PolarHBondContact O-N 3.5Å; Y379-A383 VanDerWaalsContact O-CB 3.27Å; Y379-A383 WeakPolarHBondContact O-CB 2.94Å; Y379-A383 PolarHBondContact O-N 2.78Å
380R97.4Very high95.2Very high15 Ų1518 Ų186%0.05710%0.102CC..Hα-helixtrans-69.8-42.9-178.4-173.7-145.267.175.71.2111.4E86 G378 A383 Q384 T407E86-R380 VanDerWaalsContact CD-NH2 3.35Å; E86-R380 IonicContact OE1-CZ 2.66Å; E86-R380 IonicContact OE1-NE 3.5Å; E86-R380 IonicContact OE1-NH2 3.75Å; E86-R380 PolarHBondContact OE1-NH2 3.43Å; E86-R380 WeakPolarHBondContact OE2-CB 3.3Å; E86-R380 IonicContact OE2-CZ 3.89Å; E86-R380 IonicContact OE2-NE 3.93Å; E86-R380 PolarHBondContact OE2-NE 3.19Å; E86-R380 IonicContact OE2-NH2 3.75Å; E86-R380 PolarHBondContact OE2-NH2 2.82Å; G378-R380 PolarHBondContact O-N 3.26Å; G378-R380 VanDerWaalsContact O-N 3.13Å; R380-A383 PolarHBondContact O-N 3.47Å; R380-Q384 WeakPolarHBondContact O-CB 3.35Å; R380-Q384 PolarHBondContact O-N 2.98Å; R380-T407 VanDerWaalsContact CG-OG1 3.23Å; R380-T407 WeakPolarHBondContact CG-OG1 3.47Å; R380-T407 PolarHBondContact NH1-OG1 3.28Å
381H95.5Very high95.3Very high42 Ų4218.9 Ų18.919%0.19411%0.108CC..Hα-helixtrans-63.7-46.9173.4-174.2-86.1000111.9E82 E86 G378 A383 Q384 D385E82-H381 IonicContact OE1-ND1 2.7Å; E82-H381 IonicContact OE2-CE1 2.79Å; E86-H381 HydrophobicContact CG-CB 3.93Å; E86-H381 PolarHBondContact OE2-N 2.9Å; G378-H381 PolarHBondContact O-N 2.66Å; G378-H381 VanDerWaalsContact O-N 3.14Å; H381-A383 VanDerWaalsContact C-N 3.29Å; H381-A383 PolarHBondContact O-N 3.43Å; H381-Q384 WeakPolarHBondContact O-CB 3.26Å; H381-Q384 PolarHBondContact O-N 3.21Å; H381-Q384 VanDerWaalsContact O-N 3.12Å; H381-D385 IonicContact CE1-OD1 2.99Å; H381-D385 IonicContact CE1-OD2 3.07Å; H381-D385 PolarHBondContact CE1-OD2 3.5Å; H381-D385 IonicContact ND1-OD2 3.19Å; H381-D385 PolarHBondContact ND1-OD2 3.09Å; H381-D385 PolarHBondContact O-N 3.05Å
382M95.8Very high95.4Very high2 Ų225.1 Ų25.11%0.0114%0.135CC..Hα-helixtrans-56.6-43.5175.7-70.8-168.1-66.500112.1D359 I371 K375 G378 D385 I386D359-M382 HydrophobicContact CB-CG 4.11Å; D359-M382 HydrophobicContact CB-SD 3.55Å; D359-M382 VanDerWaalsContact CB-SD 3.55Å; I371-M382 HydrophobicContact CD1-CB 3.83Å; I371-M382 HydrophobicContact CD1-CG 4.43Å; K375-M382 VanDerWaalsContact O-CE 3.25Å; K375-M382 WeakPolarHBondContact O-CE 3.26Å; G378-M382 WeakPolarHBondContact O-CG 3.45Å; G378-M382 PolarHBondContact O-N 3.39Å; M382-D385 PolarHBondContact O-N 3.03Å; M382-I386 WeakPolarHBondContact O-CG2 3.38Å; M382-I386 PolarHBondContact O-N 3.11Å
383A98.7Very high95.7Very high1 Ų128 Ų281%0.00815%0.145CC..Hα-helixtrans-61.7-47.2175.100000111.7G33 I34 D37 Y379 R380 H381 D385 I386 V387G33-A383 WeakPolarHBondContact O-CB 3.24Å; I34-A383 HydrophobicContact CG1-CB 4.07Å; D37-A383 HydrophobicContact CB-CB 4.33Å; Y379-A383 VanDerWaalsContact O-CB 3.27Å; Y379-A383 WeakPolarHBondContact O-CB 2.94Å; Y379-A383 PolarHBondContact O-N 2.78Å; R380-A383 PolarHBondContact O-N 3.47Å; H381-A383 VanDerWaalsContact C-N 3.29Å; H381-A383 PolarHBondContact O-N 3.43Å; A383-D385 VanDerWaalsContact C-N 3.32Å; A383-D385 PolarHBondContact O-N 2.81Å; A383-I386 WeakPolarHBondContact O-CG2 3.44Å; A383-I386 PolarHBondContact O-N 3.47Å; A383-V387 VanDerWaalsContact O-CB 3.29Å; A383-V387 WeakPolarHBondContact O-CB 3.48Å; A383-V387 WeakPolarHBondContact O-CG2 3.34Å; A383-V387 PolarHBondContact O-N 3.24Å
384Q98.4Very high96.1Very high52 Ų5227.4 Ų27.424%0.24314%0.138CC..Hα-helixtrans-55.2-47.4177.4178.2-177.8-29.900111.9D37 R41 R380 H381 V387 D388 C405D37-Q384 WeakPolarHBondContact OD2-CA 3.34Å; R41-Q384 PolarHBondContact NH2-O 3.16Å; R380-Q384 WeakPolarHBondContact O-CB 3.35Å; R380-Q384 PolarHBondContact O-N 2.98Å; H381-Q384 WeakPolarHBondContact O-CB 3.26Å; H381-Q384 PolarHBondContact O-N 3.21Å; H381-Q384 VanDerWaalsContact O-N 3.12Å; Q384-V387 PolarHBondContact O-N 3.25Å; Q384-D388 VanDerWaalsContact O-CB 3.28Å; Q384-D388 WeakPolarHBondContact O-CB 3.28Å; Q384-D388 PolarHBondContact O-N 3.38Å; Q384-C405 HydrophobicContact CB-CB 4.42Å; Q384-C405 HydrophobicContact CG-CB 3.75Å
385D97.8Very high96.7Very high60 Ų6032 Ų3232%0.32115%0.15SC..Hα-helixtrans-63.4-46.7-176.4-76.1-15.2000112.4I361 H381 M382 A383 L389I361-D385 HydrophobicContact CD1-CB 3.81Å; H381-D385 IonicContact CE1-OD1 2.99Å; H381-D385 IonicContact CE1-OD2 3.07Å; H381-D385 PolarHBondContact CE1-OD2 3.5Å; H381-D385 IonicContact ND1-OD2 3.19Å; H381-D385 PolarHBondContact ND1-OD2 3.09Å; H381-D385 PolarHBondContact O-N 3.05Å; M382-D385 PolarHBondContact O-N 3.03Å; A383-D385 VanDerWaalsContact C-N 3.32Å; A383-D385 PolarHBondContact O-N 2.81Å; D385-L389 PolarHBondContact O-N 2.97Å
386I98.7Very high97.3Very high0 Ų038.3 Ų38.30%018%0.178CC..Hα-helixtrans-74.1-35179.7-167.7159.9000112.3I34 V227 I361 L369 I371 M382 A383 L389 V390I34-I386 HydrophobicContact CD1-CG2 3.72Å; I34-I386 HydrophobicContact CG1-CG2 3.6Å; I34-I386 HydrophobicContact CG2-CG2 4.46Å; V227-I386 HydrophobicContact CB-CD1 4.44Å; V227-I386 HydrophobicContact CG1-CD1 3.51Å; V227-I386 HydrophobicContact CG1-CG1 4.36Å; V227-I386 HydrophobicContact CG2-CD1 4.03Å; V227-I386 HydrophobicContact CG2-CG1 4.18Å; I361-I386 HydrophobicContact CD1-CB 3.75Å; I361-I386 HydrophobicContact CD1-CG1 4.41Å; I361-I386 HydrophobicContact CG1-CB 4.29Å; I361-I386 HydrophobicContact CG1-CD1 4.47Å; I361-I386 HydrophobicContact CG2-CD1 4.24Å; I361-I386 HydrophobicContact CG2-CG1 4.37Å; L369-I386 HydrophobicContact CB-CD1 4.3Å; I371-I386 HydrophobicContact CB-CD1 3.76Å; I371-I386 HydrophobicContact CD1-CG2 4.44Å; I371-I386 HydrophobicContact CG2-CD1 4.02Å; M382-I386 WeakPolarHBondContact O-CG2 3.38Å; M382-I386 PolarHBondContact O-N 3.11Å; A383-I386 WeakPolarHBondContact O-CG2 3.44Å; A383-I386 PolarHBondContact O-N 3.47Å; I386-L389 WeakPolarHBondContact O-CB 3.43Å; I386-L389 PolarHBondContact O-N 2.8Å; I386-V390 WeakPolarHBondContact O-CG2 3.2Å; I386-V390 PolarHBondContact O-N 3.47Å
387V98.9Very high97.5Very high0 Ų040.6 Ų40.60%019%0.19CC..Hα-helixtrans-72.2-31.8177.4178.30000111.2I34 D37 A38 M43 A383 Q384 L389 V390 S391I34-V387 HydrophobicContact CB-CG2 4.41Å; I34-V387 HydrophobicContact CG2-CG2 3.76Å; D37-V387 HydrophobicContact CB-CG2 4.29Å; D37-V387 WeakPolarHBondContact OD2-CB 3.42Å; A38-V387 HydrophobicContact CB-CG1 4.1Å; A38-V387 HydrophobicContact CB-CG2 4.18Å; M43-V387 HydrophobicContact CE-CG1 3.63Å; M43-V387 HydrophobicContact SD-CG1 4.22Å; A383-V387 VanDerWaalsContact O-CB 3.29Å; A383-V387 WeakPolarHBondContact O-CB 3.48Å; A383-V387 WeakPolarHBondContact O-CG2 3.34Å; A383-V387 PolarHBondContact O-N 3.24Å; Q384-V387 PolarHBondContact O-N 3.25Å; V387-L389 VanDerWaalsContact C-N 3.29Å; V387-L389 PolarHBondContact O-N 3.34Å; V387-V390 PolarHBondContact O-N 3.39Å; V387-S391 VanDerWaalsContact O-CB 3.3Å; V387-S391 WeakPolarHBondContact O-CB 3.45Å; V387-S391 PolarHBondContact O-N 3.42Å
388D98.8Very high97.8Very high49 Ų4945.1 Ų45.126%0.26221%0.207SC..Hα-helixtrans-60.3-41.1168.5-81.5-4.4000111.3R41 Q384 K392R41-D388 IonicContact CZ-OD1 2.83Å; R41-D388 IonicContact NH1-OD1 3.19Å; R41-D388 PolarHBondContact NH1-OD1 2.99Å; R41-D388 IonicContact NH2-OD1 3.96Å; R41-D388 PolarHBondContact NH2-OD1 2.92Å; Q384-D388 VanDerWaalsContact O-CB 3.28Å; Q384-D388 WeakPolarHBondContact O-CB 3.28Å; Q384-D388 PolarHBondContact O-N 3.38Å; D388-K392 VanDerWaalsContact O-CG 3.28Å; D388-K392 WeakPolarHBondContact O-CG 3.44Å; D388-K392 PolarHBondContact O-N 2.86Å; D388-K392 VanDerWaalsContact O-N 3.08Å
389L98.8Very high98.1Very high36 Ų3647.6 Ų47.619%0.18823%0.233CC..Hα-helixtrans-67.3-46.1175.1-177.157.5000111.8I361 L369 D385 I386 V387 S391 K392 R393I361-L389 HydrophobicContact CG2-CD2 3.82Å; L369-L389 HydrophobicContact CD2-CD2 3.56Å; L369-L389 HydrophobicContact CD2-CG 4.08Å; D385-L389 PolarHBondContact O-N 2.97Å; I386-L389 WeakPolarHBondContact O-CB 3.43Å; I386-L389 PolarHBondContact O-N 2.8Å; V387-L389 VanDerWaalsContact C-N 3.29Å; V387-L389 PolarHBondContact O-N 3.34Å; L389-S391 VanDerWaalsContact C-N 3.34Å; L389-S391 PolarHBondContact O-N 3.08Å; L389-K392 PolarHBondContact O-N 3.26Å; L389-R393 HydrophobicContact CD1-CG 4.48Å; L389-R393 WeakPolarHBondContact O-CG 3.31Å; L389-R393 PolarHBondContact O-N 3.26Å
390V98.9Very high98.2Very high0 Ų050 Ų500%025%0.246CC..Hα-helixtrans-55.1-49.7174.3169.60000110.5L22 M43 K225 V227 L369 I386 V387 K392 R393 L394L22-V390 HydrophobicContact CD1-CG1 4.37Å; L22-V390 HydrophobicContact CD1-CG2 4.26Å; L22-V390 HydrophobicContact CD2-CG1 4.41Å; M43-V390 HydrophobicContact CE-CG1 4.49Å; M43-V390 HydrophobicContact SD-CG1 4.2Å; K225-V390 HydrophobicContact CB-CG1 4.37Å; K225-V390 HydrophobicContact CG-CG1 4.48Å; V227-V390 HydrophobicContact CG2-CG2 3.73Å; L369-V390 HydrophobicContact CD1-CB 4.49Å; L369-V390 HydrophobicContact CD1-CG2 3.5Å; L369-V390 VanDerWaalsContact CD1-CG2 3.5Å; I386-V390 WeakPolarHBondContact O-CG2 3.2Å; I386-V390 PolarHBondContact O-N 3.47Å; V387-V390 PolarHBondContact O-N 3.39Å; V390-K392 VanDerWaalsContact C-N 3.34Å; V390-K392 PolarHBondContact O-N 2.89Å; V390-R393 PolarHBondContact O-N 3.39Å; V390-R393 VanDerWaalsContact O-N 3.08Å; V390-L394 HydrophobicContact CG1-CD1 3.63Å; V390-L394 HydrophobicContact CG1-CG 4.14Å; V390-L394 WeakPolarHBondContact O-CG 3.4Å; V390-L394 PolarHBondContact O-N 2.98Å
391S98.8Very high98.2Very high20 Ų2054 Ų5414%0.1427%0.272CS..Hα-helixtrans-58.2-43.8179.2-176.70000111.9V387 L389 R393 L394 K395V387-S391 VanDerWaalsContact O-CB 3.3Å; V387-S391 WeakPolarHBondContact O-CB 3.45Å; V387-S391 PolarHBondContact O-N 3.42Å; L389-S391 VanDerWaalsContact C-N 3.34Å; L389-S391 PolarHBondContact O-N 3.08Å; S391-R393 VanDerWaalsContact C-N 3.35Å; S391-R393 PolarHBondContact O-N 3.49Å; S391-L394 PolarHBondContact O-N 2.84Å; S391-K395 WeakPolarHBondContact O-CB 3.42Å; S391-K395 PolarHBondContact O-N 2.87Å
392K98.7Very high98.4Very high134 Ų13453.8 Ų53.858%0.58327%0.271SS*.Hα-helixtrans-61.2-40.5174.9-73167.3-173.7167.60112.4D388 L389 V390 K396D388-K392 VanDerWaalsContact O-CG 3.28Å; D388-K392 WeakPolarHBondContact O-CG 3.44Å; D388-K392 PolarHBondContact O-N 2.86Å; D388-K392 VanDerWaalsContact O-N 3.08Å; L389-K392 PolarHBondContact O-N 3.26Å; V390-K392 VanDerWaalsContact C-N 3.34Å; V390-K392 PolarHBondContact O-N 2.89Å; K392-K396 WeakPolarHBondContact O-CB 3.48Å; K392-K396 PolarHBondContact O-N 3.28Å; K392-K396 VanDerWaalsContact O-N 3.08Å
393R98.4Very high98.5Very high66 Ų6657 Ų5725%0.24929%0.294CS..Hα-helixtrans-71-42.3178.3-63.3-65.5-179.9-97-0.2111.8K225 E363 L389 V390 S391 K395 K396 D397K225-R393 HydrophobicContact CD-CB 4.25Å; E363-R393 WeakPolarHBondContact OE1-CD 3.4Å; E363-R393 IonicContact OE1-CZ 3.9Å; E363-R393 IonicContact OE1-NE 3.81Å; E363-R393 PolarHBondContact OE1-NE 2.85Å; E363-R393 IonicContact OE1-NH2 3.34Å; E363-R393 IonicContact OE2-CZ 2.72Å; E363-R393 IonicContact OE2-NE 2.79Å; E363-R393 PolarHBondContact OE2-NE 3.14Å; E363-R393 VanDerWaalsContact OE2-NE 3.13Å; E363-R393 IonicContact OE2-NH2 3.13Å; E363-R393 PolarHBondContact OE2-NH2 2.88Å; L389-R393 HydrophobicContact CD1-CG 4.48Å; L389-R393 WeakPolarHBondContact O-CG 3.31Å; L389-R393 PolarHBondContact O-N 3.26Å; V390-R393 PolarHBondContact O-N 3.39Å; V390-R393 VanDerWaalsContact O-N 3.08Å; S391-R393 VanDerWaalsContact C-N 3.35Å; S391-R393 PolarHBondContact O-N 3.49Å; R393-K395 VanDerWaalsContact C-N 3.32Å; R393-K395 PolarHBondContact O-N 3.43Å; R393-K396 PolarHBondContact O-N 2.69Å; R393-D397 WeakPolarHBondContact O-CB 3.48Å; R393-D397 VanDerWaalsContact O-CG 3.26Å; R393-D397 PolarHBondContact O-N 3.32Å
394L98.8Very high98.5Very high0 Ų062 Ų620%033%0.326CS..Hα-helixtrans-61.3-40.4175-71.7172.5000112D21 M43 K224 K225 V390 S391 Y398 G399 L400 F402D21-L394 HydrophobicContact CB-CD1 4.07Å; M43-L394 HydrophobicContact SD-CD1 4.26Å; K224-L394 HydrophobicContact CB-CD2 3.59Å; K224-L394 HydrophobicContact CD-CD2 4.17Å; K225-L394 HydrophobicContact CG-CD2 3.68Å; K225-L394 HydrophobicContact CG-CG 3.98Å; V390-L394 HydrophobicContact CG1-CD1 3.63Å; V390-L394 HydrophobicContact CG1-CG 4.14Å; V390-L394 WeakPolarHBondContact O-CG 3.4Å; V390-L394 PolarHBondContact O-N 2.98Å; S391-L394 PolarHBondContact O-N 2.84Å; L394-Y398 HydrophobicContact CD2-CD2 4.07Å; L394-Y398 HydrophobicContact CD2-CE2 4.44Å; L394-Y398 CarbonylContact O-C 3.57Å; L394-Y398 WeakPolarHBondContact O-CA 3.46Å; L394-Y398 WeakPolarHBondContact O-CB 3.25Å; L394-Y398 PolarHBondContact O-N 3.1Å; L394-G399 PolarHBondContact O-N 2.61Å; L394-L400 HydrophobicContact CB-CB 4.35Å; L394-L400 PolarHBondContact O-N 3.16Å; L394-F402 HydrophobicContact CB-CE2 4.14Å; L394-F402 HydrophobicContact CD1-CD2 4.34Å; L394-F402 HydrophobicContact CD1-CE2 3.61Å; L394-F402 HydrophobicContact CD1-CZ 4.33Å; L394-F402 HydrophobicContact CG-CE2 4.5Å
395K98.7Very high98.5Very high126 Ų12660.9 Ų60.955%0.54832%0.324SS..Hα-helixtrans-62.7-47.1173.3-174.7173.3-179.2172.50112.3S391 R393 G399 L400S391-K395 WeakPolarHBondContact O-CB 3.42Å; S391-K395 PolarHBondContact O-N 2.87Å; R393-K395 VanDerWaalsContact C-N 3.32Å; R393-K395 PolarHBondContact O-N 3.43Å; K395-G399 VanDerWaalsContact O-CA 3.23Å; K395-G399 WeakPolarHBondContact O-CA 3.49Å; K395-G399 PolarHBondContact O-N 3.33Å; K395-L400 WeakPolarHBondContact CA-O 3.48Å; K395-L400 VanDerWaalsContact CB-O 3.27Å; K395-L400 WeakPolarHBondContact CB-O 3.19Å; K395-L400 PolarHBondContact N-O 3.11Å
396K98.3Very high98.4Very high164 Ų16463.1 Ų63.171%0.71334%0.336SS*.Hα-helixtrans-63.6-45.8-178.8-177.2-169.5170.7-1660112K392 R393K392-K396 WeakPolarHBondContact O-CB 3.48Å; K392-K396 PolarHBondContact O-N 3.28Å; K392-K396 VanDerWaalsContact O-N 3.08Å; R393-K396 PolarHBondContact O-N 2.69Å
397D97.6Very high98.4Very high73 Ų7363.3 Ų63.339%0.3934%0.337SS..Hα-helixtrans-94.2-24.7-166.6-56.4-20.6000112.4K225 R393K225-D397 WeakPolarHBondContact CE-OD2 3.38Å; K225-D397 IonicContact NZ-OD2 2.69Å; K225-D397 PolarHBondContact NZ-OD2 3.5Å; R393-D397 WeakPolarHBondContact O-CB 3.48Å; R393-D397 VanDerWaalsContact O-CG 3.26Å; R393-D397 PolarHBondContact O-N 3.32Å
398Y97.9Very high98.3Very high99 Ų9969.9 Ų69.939%0.38837%0.365SS..Hα-helixtrans-130.8-1.4-174.7-57.9-89.7000114.2K224 L394 L400K224-Y398 HydrophobicContact CB-CD2 4.13Å; K224-Y398 HydrophobicContact CB-CE1 4.25Å; K224-Y398 HydrophobicContact CB-CE2 3.66Å; K224-Y398 HydrophobicContact CD-CD1 3.75Å; K224-Y398 HydrophobicContact CD-CD2 4.07Å; K224-Y398 HydrophobicContact CD-CE1 3.98Å; K224-Y398 HydrophobicContact CD-CE2 4.3Å; K224-Y398 HydrophobicContact CD-CG 3.79Å; K224-Y398 HydrophobicContact CG-CD1 4.15Å; K224-Y398 HydrophobicContact CG-CD2 4.41Å; K224-Y398 HydrophobicContact CG-CE1 3.84Å; K224-Y398 HydrophobicContact CG-CE2 4.14Å; K224-Y398 HydrophobicContact CG-CG 4.42Å; L394-Y398 HydrophobicContact CD2-CD2 4.07Å; L394-Y398 HydrophobicContact CD2-CE2 4.44Å; L394-Y398 CarbonylContact O-C 3.57Å; L394-Y398 WeakPolarHBondContact O-CA 3.46Å; L394-Y398 WeakPolarHBondContact O-CB 3.25Å; L394-Y398 PolarHBondContact O-N 3.1Å; Y398-L400 PolarHBondContact O-N 3.05Å
399G98.3Very high98.2Very high57 Ų5770.9 Ų70.959%0.58839%0.387SS*.  trans71.27.7-177.400000114.7L394 K395L394-G399 PolarHBondContact O-N 2.61Å; K395-G399 VanDerWaalsContact O-CA 3.23Å; K395-G399 WeakPolarHBondContact O-CA 3.49Å; K395-G399 PolarHBondContact O-N 3.33Å
400L98.7Very high98.1Very high53 Ų5370.3 Ų70.328%0.27738%0.384SS..  trans-78.8132.8-176.5-60.5175.6000111.2D21 K224 L394 K395 Y398 F402D21-L400 WeakPolarHBondContact OD1-CD1 2.95Å; K224-L400 HydrophobicContact CD-CD1 3.66Å; L394-L400 HydrophobicContact CB-CB 4.35Å; L394-L400 PolarHBondContact O-N 3.16Å; K395-L400 WeakPolarHBondContact CA-O 3.48Å; K395-L400 VanDerWaalsContact CB-O 3.27Å; K395-L400 WeakPolarHBondContact CB-O 3.19Å; K395-L400 PolarHBondContact N-O 3.11Å; Y398-L400 PolarHBondContact O-N 3.05Å; L400-F402 HydrophobicContact CB-CE2 3.74Å; L400-F402 HydrophobicContact CB-CZ 4.04Å; L400-F402 HydrophobicContact CD1-CZ 4.31Å
401T98.5Very high98.1Very high100 Ų10071 Ų7161%0.61339%0.391SS*.  trans-122134177-59.30000109.5
402F98.6Very high98.1Very high37 Ų3770.1 Ų70.116%0.16238%0.384CS..  trans-123.4162.8-179.1-60.9-79.1000110.6D21 R41 M43 L394 L400D21-F402 HydrophobicContact CB-CZ 4.29Å; R41-F402 HydrophobicContact CB-CB 4.24Å; M43-F402 HydrophobicContact CB-CD1 4.38Å; M43-F402 HydrophobicContact CB-CE1 4.12Å; M43-F402 HydrophobicContact CB-CZ 4.42Å; M43-F402 HydrophobicContact CE-CB 4.15Å; M43-F402 HydrophobicContact CE-CD2 3.84Å; M43-F402 HydrophobicContact CE-CE2 4.49Å; M43-F402 HydrophobicContact CE-CG 4.01Å; M43-F402 HydrophobicContact CG-CB 4.49Å; M43-F402 HydrophobicContact CG-CD1 3.6Å; M43-F402 HydrophobicContact CG-CD2 3.96Å; M43-F402 HydrophobicContact CG-CE1 3.69Å; M43-F402 HydrophobicContact CG-CE2 4.04Å; M43-F402 HydrophobicContact CG-CG 3.74Å; M43-F402 HydrophobicContact CG-CZ 3.9Å; L394-F402 HydrophobicContact CB-CE2 4.14Å; L394-F402 HydrophobicContact CD1-CD2 4.34Å; L394-F402 HydrophobicContact CD1-CE2 3.61Å; L394-F402 HydrophobicContact CD1-CZ 4.33Å; L394-F402 HydrophobicContact CG-CE2 4.5Å; L400-F402 HydrophobicContact CB-CE2 3.74Å; L400-F402 HydrophobicContact CB-CZ 4.04Å; L400-F402 HydrophobicContact CD1-CZ 4.31Å
403S98.4Very high98.1Very high71 Ų7163.8 Ų63.850%0.49736%0.357SS..PPolyproline II helixtrans-62.4155.8176.1-66.30000111.9R41R41-S403 WeakPolarHBondContact CD-O 3.31Å; R41-S403 VanDerWaalsContact CG-O 3.22Å; R41-S403 WeakPolarHBondContact CG-O 3.33Å; R41-S403 PolarHBondContact O-N 3.19Å
404P98.1Very high98.1Very high106 Ų10660.7 Ų60.769%0.68835%0.345SS*.PPolyproline II helixtrans-66.8162.7168.930.4-35.6000111.3N406P404-N406 PolarHBondContact O-N 2.87Å
405C98.3Very high98.1Very high28 Ų2860.8 Ų60.819%0.18935%0.346CS..PPolyproline II helixtrans-56.6126.8174.3170.80000111.6D37 Q384 T407D37-C405 PolarHBondContact OD1-SG 3.45Å; Q384-C405 HydrophobicContact CB-CB 4.42Å; Q384-C405 HydrophobicContact CG-CB 3.75Å; C405-T407 PolarHBondContact SG-OG1 3.01Å
406N97.2Very high98Very high107 Ų10759.1 Ų59.157%0.57234%0.343SS*.  trans-123.619.8174.1-163.436.2000113.1P404 K408P404-N406 PolarHBondContact O-N 2.87Å; N406-K408 PolarHBondContact O-N 2.71Å
407T98.3Very high98Very high3 Ų351.7 Ų51.72%0.01831%0.312CS..G310 helixtrans-74.6-8.8-175.357.70000114.7L36 D37 N93 R380 C405 G409 L410L36-T407 HydrophobicContact CG-CG2 4.35Å; D37-T407 HydrophobicContact CB-CG2 3.85Å; N93-T407 PolarHBondContact ND2-O 2.99Å; R380-T407 VanDerWaalsContact CG-OG1 3.23Å; R380-T407 WeakPolarHBondContact CG-OG1 3.47Å; R380-T407 PolarHBondContact NH1-OG1 3.28Å; C405-T407 PolarHBondContact SG-OG1 3.01Å; T407-G409 VanDerWaalsContact C-N 3.35Å; T407-G409 PolarHBondContact O-N 3.33Å; T407-L410 PolarHBondContact O-N 2.64Å
408K96.9Very high97.9Very high138 Ų13850.8 Ų50.860%0.632%0.319SS*.G310 helixtrans-67-32.7-178.4179.6173.7177.3-174.60113.6I89 N93 N406I89-K408 HydrophobicContact CD1-CD 4.06Å; I89-K408 HydrophobicContact CD1-CG 3.83Å; I89-K408 HydrophobicContact CG1-CG 4.05Å; I89-K408 HydrophobicContact CG2-CG 4.35Å; N93-K408 PolarHBondContact OD1-O 2.8Å; N406-K408 PolarHBondContact O-N 2.71Å
409G95.3Very high97.8Very high71 Ų7146.5 Ų46.573%0.73231%0.305SS*.G310 helixtrans-110.612.7177.600000113.1T407T407-G409 VanDerWaalsContact C-N 3.35Å; T407-G409 PolarHBondContact O-N 3.33Å
410L98Very high97.6Very high23 Ų2344.6 Ų44.612%0.1228%0.283CS..  trans-95.6112.6-178.1-178.562.2000108.7L36 E40 N93 R180 T407L36-L410 HydrophobicContact CD1-CD2 3.82Å; L36-L410 HydrophobicContact CG-CD2 4.42Å; E40-L410 HydrophobicContact CB-CD2 4.37Å; E40-L410 HydrophobicContact CG-CD2 4.06Å; N93-L410 PolarHBondContact ND2-O 2.85Å; N93-L410 VanDerWaalsContact ND2-O 3.13Å; N93-L410 PolarHBondContact OD1-O 3.49Å; R180-L410 HydrophobicContact CG-CD2 4.39Å; R180-L410 HydrophobicContact CG-CG 4.47Å; T407-L410 PolarHBondContact O-N 2.64Å
411A98.4Very high97.4Very high16 Ų1651 Ų5113%0.13231%0.309CS..PPolyproline II helixtrans-56.1145.3170.800000110.5N93 R180N93-A411 VanDerWaalsContact O-CA 3.3Å; N93-A411 WeakPolarHBondContact O-CA 3.4Å; R180-A411 VanDerWaalsContact CZ-O 3.23Å; R180-A411 PolarHBondContact NE-O 2.78Å; R180-A411 PolarHBondContact NH1-O 2.88Å
412I98.6Very high97.3Very high1 Ų150 Ų501%0.00530%0.3CS..PPolyproline II helixtrans-76.4171165.765-178.5000109N93 V97 L173 E176 V177 R180 G414 G415N93-I412 HydrophobicContact CB-CG2 4.4Å; N93-I412 PolarHBondContact O-N 3.23Å; V97-I412 HydrophobicContact CG2-CD1 4.32Å; L173-I412 HydrophobicContact CD1-CD1 3.75Å; E176-I412 HydrophobicContact CB-CB 4.21Å; E176-I412 HydrophobicContact CB-CD1 3.76Å; E176-I412 HydrophobicContact CB-CG1 3.97Å; V177-I412 HydrophobicContact CG2-CB 4.41Å; V177-I412 HydrophobicContact CG2-CG2 3.63Å; R180-I412 PolarHBondContact NH2-O 3.12Å; I412-G414 PolarHBondContact O-N 3.17Å; I412-G415 WeakPolarHBondContact O-CA 3.28Å; I412-G415 PolarHBondContact O-N 2.88Å
413S98.7Very high97.3Very high1 Ų149 Ų491%0.00730%0.295CS..THydrogen-bonded Turntrans-58.4141.5175.9-168.30000109.9H96 E176 E183 G415 N454H96-S413 PolarHBondContact CE1-O 3.16Å; H96-S413 PolarHBondContact NE2-O 2.97Å; E176-S413 WeakPolarHBondContact CB-O 3.46Å; E176-S413 WeakPolarHBondContact CG-O 3.42Å; E176-S413 WeakPolarHBondContact O-CB 3.25Å; E176-S413 PolarHBondContact O-N 2.84Å; E176-S413 VanDerWaalsContact O-N 3.09Å; E176-S413 WeakPolarHBondContact OE2-CB 3.34Å; E176-S413 PolarHBondContact OE2-OG 2.64Å; E183-S413 VanDerWaalsContact OE1-CB 3.32Å; E183-S413 WeakPolarHBondContact OE1-CB 3.28Å; E183-S413 PolarHBondContact OE1-OG 3.02Å; S413-G415 PolarHBondContact O-N 3.05Å; S413-G415 VanDerWaalsContact O-N 3.16Å; S413-N454 PolarHBondContact OG-ND2 2.89Å; S413-N454 PolarHBondContact OG-OD1 2.95Å
414G98.5Very high97.2Very high0 Ų051.6 Ų51.60%030%0.303CS..THydrogen-bonded Turntrans74.2-9.2-169.100000115.3H96 I412 Y451 G452 S453 N454H96-G414 PolarHBondContact CE1-O 3.36Å; H96-G414 VanDerWaalsContact CE1-O 3.25Å; H96-G414 PolarHBondContact ND1-O 3.05Å; H96-G414 VanDerWaalsContact ND1-O 3.17Å; I412-G414 PolarHBondContact O-N 3.17Å; G414-Y451 WeakPolarHBondContact CA-O 3.37Å; G414-G452 CarbonylContact O-C 3.2Å; G414-G452 WeakPolarHBondContact O-CA 3.46Å; G414-S453 WeakPolarHBondContact CA-OG 3.49Å; G414-S453 PolarHBondContact O-N 2.85Å; G414-S453 PolarHBondContact O-OG 3.25Å; G414-N454 WeakPolarHBondContact CA-ND2 3.17Å; G414-N454 PolarHBondContact N-ND2 3.03Å; G414-N454 PolarHBondContact N-OD1 3.13Å
415G98.3Very high97.2Very high3 Ų349.9 Ų49.93%0.03130%0.298CS..  trans-83.8-3.3-17600000115.1H96 I412 S413 V417H96-G415 PolarHBondContact CE1-N 3.26Å; H96-G415 VanDerWaalsContact CE1-N 3.3Å; I412-G415 WeakPolarHBondContact O-CA 3.28Å; I412-G415 PolarHBondContact O-N 2.88Å; S413-G415 PolarHBondContact O-N 3.05Å; S413-G415 VanDerWaalsContact O-N 3.16Å; G415-V417 PolarHBondContact O-N 2.95Å
416D98.1Very high97.2Very high90 Ų9049.8 Ų49.848%0.48130%0.295SS..THydrogen-bonded Turntrans-8052.7-175.8-49.6-72.1000112.1R180 S453R180-D416 IonicContact CZ-OD1 3.13Å; R180-D416 IonicContact CZ-OD2 2.93Å; R180-D416 IonicContact NH1-OD1 3.68Å; R180-D416 PolarHBondContact NH1-OD1 2.84Å; R180-D416 IonicContact NH1-OD2 3.52Å; R180-D416 IonicContact NH2-OD1 3.01Å; R180-D416 IonicContact NH2-OD2 3.02Å; R180-D416 PolarHBondContact NH2-OD2 3.01Å; D416-S453 PolarHBondContact N-OG 3.44Å
417V97.9Very high97.3Very high9 Ų945 Ų456%0.05527%0.269CS..THydrogen-bonded Turntrans-107.510.7-175.6-57.80000112.6P95 G415 F423 F426P95-V417 HydrophobicContact CG-CG2 3.47Å; P95-V417 VanDerWaalsContact CG-CG2 3.47Å; G415-V417 PolarHBondContact O-N 2.95Å; V417-F423 HydrophobicContact CB-CD2 4.17Å; V417-F423 HydrophobicContact CG1-CD2 4.24Å; V417-F423 HydrophobicContact CG2-CB 4.26Å; V417-F423 HydrophobicContact CG2-CD2 3.82Å; V417-F423 HydrophobicContact CG2-CG 4.42Å; V417-F426 HydrophobicContact CB-CB 4.24Å; V417-F426 HydrophobicContact CB-CD1 4.12Å; V417-F426 HydrophobicContact CB-CD2 4.08Å; V417-F426 HydrophobicContact CB-CG 3.86Å; V417-F426 HydrophobicContact CG1-CD1 3.67Å; V417-F426 HydrophobicContact CG1-CD2 4.04Å; V417-F426 HydrophobicContact CG1-CE1 3.72Å; V417-F426 HydrophobicContact CG1-CE2 4.06Å; V417-F426 HydrophobicContact CG1-CG 3.87Å; V417-F426 HydrophobicContact CG1-CZ 3.93Å
418G95.4Very high97.3Very high53 Ų5348.9 Ų48.955%0.54629%0.287SS..THydrogen-bonded Turntrans7822.9-175.400000114.1N422G418-N422 PolarHBondContact O-ND2 2.81Å
419G94.7Very high97.4Very high9 Ų947.9 Ų47.99%0.09329%0.285CS..SBendtrans81.8175.4176.800000114.3E92 K421 N422 F423E92-G419 WeakPolarHBondContact OE1-CA 3.25Å; G419-K421 PolarHBondContact O-N 3.1Å; G419-K421 VanDerWaalsContact O-N 3.11Å; G419-N422 PolarHBondContact O-N 3.39Å; G419-N422 VanDerWaalsContact O-N 3.1Å; G419-F423 PolarHBondContact O-N 2.91Å
420S94.2Very high97.5Very high17 Ų1745.6 Ų45.612%0.11925%0.254CS..THydrogen-bonded Turntrans-59.9-29.1-171.459.60000114.1Y91 E92 N422Y91-S420 VanDerWaalsContact CE1-CB 3.46Å; Y91-S420 VanDerWaalsContact CZ-CB 3.43Å; E92-S420 PolarHBondContact OE1-N 3.21Å; E92-S420 WeakPolarHBondContact OE2-CB 3.41Å; E92-S420 PolarHBondContact OE2-N 3.07Å; E92-S420 PolarHBondContact OE2-OG 2.87Å; S420-N422 VanDerWaalsContact C-N 3.34Å; S420-N422 PolarHBondContact O-N 3.34Å
421K94.8Very high97.5Very high189 Ų18944.5 Ų44.582%0.82225%0.249SC*.THydrogen-bonded Turntrans-68.6-30.5179.8-176.2-177.2173.3-168.50113.3G419G419-K421 PolarHBondContact O-N 3.1Å; G419-K421 VanDerWaalsContact O-N 3.11Å
422N97.3Very high97.4Very high79 Ų7948.5 Ų48.542%0.42227%0.268SS..THydrogen-bonded Turntrans-102.6-3.7-173.5-64.2-43.7000112.7G418 G419 S420 A425 F426G418-N422 PolarHBondContact O-ND2 2.81Å; G419-N422 PolarHBondContact O-N 3.39Å; G419-N422 VanDerWaalsContact O-N 3.1Å; S420-N422 VanDerWaalsContact C-N 3.34Å; S420-N422 PolarHBondContact O-N 3.34Å; N422-A425 PolarHBondContact O-N 2.94Å; N422-F426 WeakPolarHBondContact O-CB 3.32Å; N422-F426 PolarHBondContact O-N 2.92Å
423F97.7Very high97.3Very high16 Ų1651.1 Ų51.17%0.0728%0.284CS..Hα-helixtrans-63.5-46.1-171.1-179.2-126.2000113.6P95 H96 V417 G419 A425 F426 V427P95-F423 HydrophobicContact CB-CB 4.14Å; P95-F423 HydrophobicContact CB-CD1 4.26Å; P95-F423 HydrophobicContact CB-CG 4.12Å; P95-F423 HydrophobicContact CG-CB 4.18Å; P95-F423 HydrophobicContact CG-CD2 4.42Å; P95-F423 HydrophobicContact CG-CG 4.22Å; H96-F423 HydrophobicContact CB-CE1 4.37Å; H96-F423 HydrophobicContact CB-CE2 3.58Å; H96-F423 HydrophobicContact CB-CZ 3.48Å; H96-F423 VanDerWaalsContact CB-CZ 3.48Å; V417-F423 HydrophobicContact CB-CD2 4.17Å; V417-F423 HydrophobicContact CG1-CD2 4.24Å; V417-F423 HydrophobicContact CG2-CB 4.26Å; V417-F423 HydrophobicContact CG2-CD2 3.82Å; V417-F423 HydrophobicContact CG2-CG 4.42Å; G419-F423 PolarHBondContact O-N 2.91Å; F423-A425 VanDerWaalsContact C-N 3.3Å; F423-A425 PolarHBondContact O-N 3.49Å; F423-F426 HydrophobicContact CD2-CD1 4.39Å; F423-F426 HydrophobicContact CE2-CD1 4.46Å; F423-F426 WeakPolarHBondContact O-CA 3.5Å; F423-F426 WeakPolarHBondContact O-CB 3.37Å; F423-F426 PolarHBondContact O-N 3.19Å; F423-F426 VanDerWaalsContact O-N 3.1Å; F423-V427 HydrophobicContact CD2-CG2 4.11Å; F423-V427 HydrophobicContact CE1-CG2 4.25Å; F423-V427 HydrophobicContact CE2-CG2 3.62Å; F423-V427 HydrophobicContact CZ-CG2 3.7Å; F423-V427 WeakPolarHBondContact O-CG2 3.49Å; F423-V427 PolarHBondContact O-N 3.14Å
424D96.9Very high97.1Very high125 Ų12551.1 Ų51.167%0.66828%0.284SS*.Hα-helixtrans-60.3-41.5179-63.1-19.8000111.7V427 E428D424-V427 PolarHBondContact O-N 2.97Å; D424-E428 PolarHBondContact O-N 3.14Å; D424-E428 VanDerWaalsContact O-N 3.12Å
425A98.3Very high96.7Very high70 Ų7055.4 Ų55.458%0.57930%0.303SS*.Hα-helixtrans-66.9-37.4176.300000112N422 F423 Q429N422-A425 PolarHBondContact O-N 2.94Å; F423-A425 VanDerWaalsContact C-N 3.3Å; F423-A425 PolarHBondContact O-N 3.49Å; A425-Q429 WeakPolarHBondContact O-CB 3.44Å; A425-Q429 PolarHBondContact O-N 3.13Å
426F98.6Very high96.2Very high26 Ų2658.6 Ų58.611%0.11434%0.335CS..Hα-helixtrans-61-45.2172.9171.9-84.7000111.3V417 N422 F423 Q429 K430 G452 V455V417-F426 HydrophobicContact CB-CB 4.24Å; V417-F426 HydrophobicContact CB-CD1 4.12Å; V417-F426 HydrophobicContact CB-CD2 4.08Å; V417-F426 HydrophobicContact CB-CG 3.86Å; V417-F426 HydrophobicContact CG1-CD1 3.67Å; V417-F426 HydrophobicContact CG1-CD2 4.04Å; V417-F426 HydrophobicContact CG1-CE1 3.72Å; V417-F426 HydrophobicContact CG1-CE2 4.06Å; V417-F426 HydrophobicContact CG1-CG 3.87Å; V417-F426 HydrophobicContact CG1-CZ 3.93Å; N422-F426 WeakPolarHBondContact O-CB 3.32Å; N422-F426 PolarHBondContact O-N 2.92Å; F423-F426 HydrophobicContact CD2-CD1 4.39Å; F423-F426 HydrophobicContact CE2-CD1 4.46Å; F423-F426 WeakPolarHBondContact O-CA 3.5Å; F423-F426 WeakPolarHBondContact O-CB 3.37Å; F423-F426 PolarHBondContact O-N 3.19Å; F423-F426 VanDerWaalsContact O-N 3.1Å; F426-Q429 WeakPolarHBondContact O-CB 3.36Å; F426-Q429 PolarHBondContact O-N 2.91Å; F426-K430 HydrophobicContact CD1-CG 4.21Å; F426-K430 HydrophobicContact CE1-CG 3.68Å; F426-K430 HydrophobicContact CE2-CD 4.42Å; F426-K430 VanDerWaalsContact CE2-CE 3.43Å; F426-K430 HydrophobicContact CE2-CG 4.14Å; F426-K430 HydrophobicContact CZ-CD 4.11Å; F426-K430 HydrophobicContact CZ-CG 3.62Å; F426-K430 WeakPolarHBondContact O-CG 3.48Å; F426-K430 PolarHBondContact O-N 3.24Å; F426-G452 WeakPolarHBondContact CE1-O 3.48Å; F426-V455 HydrophobicContact CE1-CG1 4.48Å; F426-V455 HydrophobicContact CZ-CG1 4.39Å
427V98.6Very high95.6Very high7 Ų758.2 Ų58.24%0.04233%0.329CS..Hα-helixtrans-60.3-50.1178.9171.10000110.7F423 D424 Q429 K430 V431 R445 A448F423-V427 HydrophobicContact CD2-CG2 4.11Å; F423-V427 HydrophobicContact CE1-CG2 4.25Å; F423-V427 HydrophobicContact CE2-CG2 3.62Å; F423-V427 HydrophobicContact CZ-CG2 3.7Å; F423-V427 WeakPolarHBondContact O-CG2 3.49Å; F423-V427 PolarHBondContact O-N 3.14Å; D424-V427 PolarHBondContact O-N 2.97Å; V427-Q429 VanDerWaalsContact C-N 3.33Å; V427-Q429 PolarHBondContact O-N 3.42Å; V427-K430 PolarHBondContact O-N 3.31Å; V427-K430 VanDerWaalsContact O-N 3.07Å; V427-V431 WeakPolarHBondContact O-CG2 3.33Å; V427-V431 PolarHBondContact O-N 2.99Å; V427-R445 HydrophobicContact CG1-CG 3.94Å; V427-A448 HydrophobicContact CG1-CB 4.19Å
428E98.3Very high95Very high84 Ų8461.1 Ų61.139%0.39336%0.361SS..Hα-helixtrans-64.9-37-179.9-64.9-5512500112.2D424 K430 V431 D432 R445D424-E428 PolarHBondContact O-N 3.14Å; D424-E428 VanDerWaalsContact O-N 3.12Å; E428-K430 VanDerWaalsContact C-N 3.3Å; E428-K430 PolarHBondContact O-N 3.44Å; E428-V431 PolarHBondContact O-N 3.34Å; E428-D432 PolarHBondContact O-N 2.81Å; E428-R445 IonicContact OE1-CZ 2.94Å; E428-R445 IonicContact OE1-NE 3.28Å; E428-R445 PolarHBondContact OE1-NE 3.36Å; E428-R445 IonicContact OE1-NH2 2.72Å; E428-R445 PolarHBondContact OE1-NH2 3.43Å; E428-R445 IonicContact OE2-CZ 3.23Å; E428-R445 IonicContact OE2-NE 2.71Å; E428-R445 IonicContact OE2-NH2 2.83Å; E428-R445 PolarHBondContact OE2-NH2 2.85Å
429Q98.2Very high94.8Very high117 Ų11759 Ų5955%0.54734%0.338SS..Hα-helixtrans-58.3-42.9171.4-177.2-168.3-6.900111.7A425 F426 V427 D432 V433A425-Q429 WeakPolarHBondContact O-CB 3.44Å; A425-Q429 PolarHBondContact O-N 3.13Å; F426-Q429 WeakPolarHBondContact O-CB 3.36Å; F426-Q429 PolarHBondContact O-N 2.91Å; V427-Q429 VanDerWaalsContact C-N 3.33Å; V427-Q429 PolarHBondContact O-N 3.42Å; Q429-D432 PolarHBondContact O-N 3.08Å; Q429-V433 WeakPolarHBondContact O-CG2 3.43Å; Q429-V433 PolarHBondContact O-N 3.5Å; Q429-V433 VanDerWaalsContact O-N 3.12Å
430K98.2Very high94.8Very high22 Ų2263.1 Ų63.110%0.09636%0.357CS..Hα-helixtrans-70.9-33.1179.3-68.5-59.3-172.9-177.80112.5F426 V427 E428 D432 V433 A434 A448 V455 D456 F459F426-K430 HydrophobicContact CD1-CG 4.21Å; F426-K430 HydrophobicContact CE1-CG 3.68Å; F426-K430 HydrophobicContact CE2-CD 4.42Å; F426-K430 VanDerWaalsContact CE2-CE 3.43Å; F426-K430 HydrophobicContact CE2-CG 4.14Å; F426-K430 HydrophobicContact CZ-CD 4.11Å; F426-K430 HydrophobicContact CZ-CG 3.62Å; F426-K430 WeakPolarHBondContact O-CG 3.48Å; F426-K430 PolarHBondContact O-N 3.24Å; V427-K430 PolarHBondContact O-N 3.31Å; V427-K430 VanDerWaalsContact O-N 3.07Å; E428-K430 VanDerWaalsContact C-N 3.3Å; E428-K430 PolarHBondContact O-N 3.44Å; K430-D432 VanDerWaalsContact C-N 3.35Å; K430-V433 PolarHBondContact O-N 2.97Å; K430-A434 WeakPolarHBondContact O-CB 3.35Å; K430-A434 PolarHBondContact O-N 3.22Å; K430-A448 HydrophobicContact CB-CB 3.89Å; K430-V455 HydrophobicContact CB-CG1 4.12Å; K430-V455 HydrophobicContact CD-CG1 3.88Å; K430-V455 HydrophobicContact CG-CG1 3.75Å; K430-D456 WeakPolarHBondContact CE-OD1 3.4Å; K430-D456 IonicContact NZ-OD1 3.38Å; K430-D456 PolarHBondContact NZ-OD1 2.83Å; K430-D456 IonicContact NZ-OD2 2.93Å; K430-D456 PolarHBondContact NZ-OD2 3.15Å; K430-F459 HydrophobicContact CB-CE2 4.19Å; K430-F459 WeakPolarHBondContact O-CE2 3.4Å
431V98.1Very high94.8Very high1 Ų166.4 Ų66.41%0.00637%0.371CS..Hα-helixtrans-59.9-46.1170.8173.30000110.6V427 E428 V433 A434 K435 E441 A444 R445V427-V431 WeakPolarHBondContact O-CG2 3.33Å; V427-V431 PolarHBondContact O-N 2.99Å; E428-V431 PolarHBondContact O-N 3.34Å; V431-V433 PolarHBondContact O-N 3.27Å; V431-A434 WeakPolarHBondContact O-CB 3.44Å; V431-A434 PolarHBondContact O-N 3.01Å; V431-A434 VanDerWaalsContact O-N 3.15Å; V431-K435 PolarHBondContact O-N 3.08Å; V431-E441 HydrophobicContact CG1-CB 4.13Å; V431-E441 HydrophobicContact CG1-CG 4.32Å; V431-A444 HydrophobicContact CG2-CB 4.31Å; V431-R445 HydrophobicContact CG2-CB 3.69Å; V431-R445 HydrophobicContact CG2-CG 4.26Å
432D96.6Very high94.9Very high99 Ų9961.9 Ų61.953%0.52936%0.355SS..Hα-helixtrans-63.9-38.5178.1-75.4-25000113E428 Q429 K430 A434 K435E428-D432 PolarHBondContact O-N 2.81Å; Q429-D432 PolarHBondContact O-N 3.08Å; K430-D432 VanDerWaalsContact C-N 3.35Å; D432-A434 VanDerWaalsContact C-N 3.33Å; D432-A434 PolarHBondContact O-N 3.32Å; D432-K435 PolarHBondContact O-N 3Å; D432-K435 VanDerWaalsContact OD1-CE 3.28Å; D432-K435 WeakPolarHBondContact OD1-CE 3.22Å; D432-K435 IonicContact OD1-NZ 3.65Å; D432-K435 PolarHBondContact OD1-NZ 3.26Å
433V95.1Very high94.7Very high57 Ų5759.1 Ų59.135%0.34534%0.341SS..Hα-helixtrans-61.5-42.5172.6170.60000111Q429 K430 V431 K435 G436 F437Q429-V433 WeakPolarHBondContact O-CG2 3.43Å; Q429-V433 PolarHBondContact O-N 3.5Å; Q429-V433 VanDerWaalsContact O-N 3.12Å; K430-V433 PolarHBondContact O-N 2.97Å; V431-V433 PolarHBondContact O-N 3.27Å; V433-K435 VanDerWaalsContact C-N 3.28Å; V433-K435 PolarHBondContact O-N 3.09Å; V433-G436 PolarHBondContact O-N 3.23Å; V433-F437 HydrophobicContact CG1-CD2 4.44Å; V433-F437 HydrophobicContact CG1-CE2 3.72Å; V433-F437 HydrophobicContact CG1-CZ 4.42Å
434A94.7Very high94.7Very high0 Ų058.3 Ų58.30%034%0.338CS..Hα-helixtrans-63.8-30.2-17800000113.5K430 V431 D432 G436 F437 G438 I439 A444 F459K430-A434 WeakPolarHBondContact O-CB 3.35Å; K430-A434 PolarHBondContact O-N 3.22Å; V431-A434 WeakPolarHBondContact O-CB 3.44Å; V431-A434 PolarHBondContact O-N 3.01Å; V431-A434 VanDerWaalsContact O-N 3.15Å; D432-A434 VanDerWaalsContact C-N 3.33Å; D432-A434 PolarHBondContact O-N 3.32Å; A434-G436 PolarHBondContact O-N 2.75Å; A434-F437 CarbonylContact O-C 3.13Å; A434-F437 WeakPolarHBondContact O-CA 3.23Å; A434-F437 WeakPolarHBondContact O-CB 3.38Å; A434-F437 PolarHBondContact O-N 3.37Å; A434-G438 PolarHBondContact O-N 2.94Å; A434-I439 HydrophobicContact CB-CB 4.08Å; A434-I439 HydrophobicContact CB-CD1 4.36Å; A434-I439 PolarHBondContact O-N 3.31Å; A434-I439 VanDerWaalsContact O-N 3.14Å; A434-A444 HydrophobicContact CB-CB 3.33Å; A434-F459 HydrophobicContact CB-CD2 4.41Å; A434-F459 HydrophobicContact CB-CE1 4.03Å; A434-F459 HydrophobicContact CB-CE2 3.81Å; A434-F459 HydrophobicContact CB-CZ 3.59Å
435K91.1Very high94.8Very high91 Ų9155.6 Ų55.640%0.39632%0.318SS..Hα-helixtrans-59-35.7172.4-60.9180-155.8-166.50111.8V431 D432 V433 F437 G438 E441V431-K435 PolarHBondContact O-N 3.08Å; D432-K435 PolarHBondContact O-N 3Å; D432-K435 VanDerWaalsContact OD1-CE 3.28Å; D432-K435 WeakPolarHBondContact OD1-CE 3.22Å; D432-K435 IonicContact OD1-NZ 3.65Å; D432-K435 PolarHBondContact OD1-NZ 3.26Å; V433-K435 VanDerWaalsContact C-N 3.28Å; V433-K435 PolarHBondContact O-N 3.09Å; K435-F437 PolarHBondContact O-N 2.8Å; K435-G438 PolarHBondContact O-N 2.71Å; K435-E441 HydrophobicContact CD-CG 4.46Å; K435-E441 WeakPolarHBondContact CE-OE1 3.48Å; K435-E441 HydrophobicContact CG-CG 4.39Å; K435-E441 IonicContact NZ-OE1 3.62Å; K435-E441 PolarHBondContact NZ-OE1 3.18Å; K435-E441 IonicContact NZ-OE2 2.59Å
436G87.3Confident94.6Very high70 Ų7057.7 Ų57.772%0.72231%0.311SS*.THydrogen-bonded Turntrans-63.7-21.5174.600000113.7V433 A434V433-G436 PolarHBondContact O-N 3.23Å; A434-G436 PolarHBondContact O-N 2.75Å
437F85.5Confident94.6Very high81 Ų8156.5 Ų56.536%0.35531%0.306SS..THydrogen-bonded Turntrans-97.42.3174.5-56.8-53.2000113.3V433 A434 K435 I439 F459 Q463V433-F437 HydrophobicContact CG1-CD2 4.44Å; V433-F437 HydrophobicContact CG1-CE2 3.72Å; V433-F437 HydrophobicContact CG1-CZ 4.42Å; A434-F437 CarbonylContact O-C 3.13Å; A434-F437 WeakPolarHBondContact O-CA 3.23Å; A434-F437 WeakPolarHBondContact O-CB 3.38Å; A434-F437 PolarHBondContact O-N 3.37Å; K435-F437 PolarHBondContact O-N 2.8Å; F437-I439 VanDerWaalsContact C-N 3.26Å; F437-I439 HydrophobicContact CB-CD1 4.04Å; F437-I439 HydrophobicContact CB-CG1 4.03Å; F437-I439 PolarHBondContact O-N 2.7Å; F437-F459 HydrophobicContact CD2-CB 4.07Å; F437-F459 HydrophobicContact CD2-CG 4.48Å; F437-F459 HydrophobicContact CE2-CB 4.09Å; F437-F459 HydrophobicContact CE2-CD2 4.49Å; F437-Q463 HydrophobicContact CD1-CB 4.48Å; F437-Q463 HydrophobicContact CD1-CG 4.23Å
438G86.2Confident94.6Very high70 Ų7056.2 Ų56.272%0.72230%0.304SS*.THydrogen-bonded Turntrans70.519-176.500000114.2A434 K435A434-G438 PolarHBondContact O-N 2.94Å; K435-G438 PolarHBondContact O-N 2.71Å
439I91.2Very high94.5Very high10 Ų1054.3 Ų54.35%0.05130%0.301CS..  trans-81.6133.5176.1-57.1172000108.5A434 F437 V443 A444 F459 A462 L474A434-I439 HydrophobicContact CB-CB 4.08Å; A434-I439 HydrophobicContact CB-CD1 4.36Å; A434-I439 PolarHBondContact O-N 3.31Å; A434-I439 VanDerWaalsContact O-N 3.14Å; F437-I439 VanDerWaalsContact C-N 3.26Å; F437-I439 HydrophobicContact CB-CD1 4.04Å; F437-I439 HydrophobicContact CB-CG1 4.03Å; F437-I439 PolarHBondContact O-N 2.7Å; I439-V443 HydrophobicContact CG2-CB 4.15Å; I439-V443 HydrophobicContact CG2-CG1 3.95Å; I439-A444 HydrophobicContact CG2-CB 4.12Å; I439-F459 HydrophobicContact CD1-CB 4.33Å; I439-F459 HydrophobicContact CD1-CD1 3.53Å; I439-F459 HydrophobicContact CD1-CE1 4.06Å; I439-F459 HydrophobicContact CD1-CG 4.08Å; I439-A462 HydrophobicContact CD1-CB 3.8Å; I439-A462 HydrophobicContact CG1-CB 4.4Å; I439-L474 HydrophobicContact CG1-CD2 4.4Å; I439-L474 HydrophobicContact CG2-CD2 4.49Å
440D93.2Very high94.5Very high94 Ų9451 Ų5150%0.50328%0.284SS..  trans-55.5141.2175.2175.6-97.9000112D442 V443 A444D440-D442 VanDerWaalsContact C-N 3.3Å; D440-D442 PolarHBondContact O-N 3.46Å; D440-D442 WeakPolarHBondContact OD1-CB 3.09Å; D440-D442 PolarHBondContact OD1-N 3.48Å; D440-V443 HydrophobicContact CB-CB 4.26Å; D440-V443 HydrophobicContact CB-CG2 4.04Å; D440-V443 PolarHBondContact O-N 2.86Å; D440-V443 PolarHBondContact OD1-N 3.29Å; D440-A444 WeakPolarHBondContact O-CB 3.5Å; D440-A444 PolarHBondContact O-N 3.3Å
441E96Very high94.5Very high86 Ų8649.9 Ų49.940%0.40228%0.279SS..Hα-helixtrans-62.2-36.8-173.6-63.4-167.7176.100112.7V431 K435 R445V431-E441 HydrophobicContact CG1-CB 4.13Å; V431-E441 HydrophobicContact CG1-CG 4.32Å; K435-E441 HydrophobicContact CD-CG 4.46Å; K435-E441 WeakPolarHBondContact CE-OE1 3.48Å; K435-E441 HydrophobicContact CG-CG 4.39Å; K435-E441 IonicContact NZ-OE1 3.62Å; K435-E441 PolarHBondContact NZ-OE1 3.18Å; K435-E441 IonicContact NZ-OE2 2.59Å; E441-R445 VanDerWaalsContact O-CB 3.3Å; E441-R445 WeakPolarHBondContact O-CB 3.42Å; E441-R445 PolarHBondContact O-N 3.13Å; E441-R445 PolarHBondContact O-NH1 3.34Å
442D95.3Very high94.5Very high94 Ų9449.9 Ų49.950%0.50328%0.279SS..Hα-helixtrans-74.1-38.9-179.2-71-27.3000111D440 R445 R446D440-D442 VanDerWaalsContact C-N 3.3Å; D440-D442 PolarHBondContact O-N 3.46Å; D440-D442 WeakPolarHBondContact OD1-CB 3.09Å; D440-D442 PolarHBondContact OD1-N 3.48Å; D442-R445 PolarHBondContact O-N 3.44Å; D442-R445 IonicContact OD1-NH1 3.73Å; D442-R446 WeakPolarHBondContact O-CG 3.42Å; D442-R446 PolarHBondContact O-N 2.59Å; D442-R446 PolarHBondContact O-NH1 3.06Å
443V94.7Very high94.6Very high21 Ų2146.3 Ų46.313%0.12726%0.262CS..Hα-helixtrans-61-49.1171.5175.40000110.2I439 D440 R445 R446 L447 E475I439-V443 HydrophobicContact CG2-CB 4.15Å; I439-V443 HydrophobicContact CG2-CG1 3.95Å; D440-V443 HydrophobicContact CB-CB 4.26Å; D440-V443 HydrophobicContact CB-CG2 4.04Å; D440-V443 PolarHBondContact O-N 2.86Å; D440-V443 PolarHBondContact OD1-N 3.29Å; V443-R445 VanDerWaalsContact C-N 3.3Å; V443-R445 PolarHBondContact O-N 2.79Å; V443-R446 PolarHBondContact O-N 2.78Å; V443-L447 HydrophobicContact CG1-CD1 4.05Å; V443-L447 HydrophobicContact CG1-CG 4.38Å; V443-L447 WeakPolarHBondContact O-CG 3.44Å; V443-L447 PolarHBondContact O-N 3.29Å; V443-E475 HydrophobicContact CG1-CB 3.97Å; V443-E475 HydrophobicContact CG1-CG 4.28Å
444A97.3Very high94.8Very high0 Ų044.4 Ų44.40%025%0.25CC..Hα-helixtrans-58.7-42.9179.400000111.9V431 A434 I439 D440 L447 A448 F459V431-A444 HydrophobicContact CG2-CB 4.31Å; A434-A444 HydrophobicContact CB-CB 3.33Å; I439-A444 HydrophobicContact CG2-CB 4.12Å; D440-A444 WeakPolarHBondContact O-CB 3.5Å; D440-A444 PolarHBondContact O-N 3.3Å; A444-L447 PolarHBondContact O-N 3.14Å; A444-A448 VanDerWaalsContact O-CB 3.25Å; A444-A448 WeakPolarHBondContact O-CB 3.23Å; A444-A448 PolarHBondContact O-N 3.34Å; A444-F459 HydrophobicContact CB-CE1 4.39Å; A444-F459 HydrophobicContact CB-CZ 4.17Å
445R97.6Very high95Very high67 Ų6744.4 Ų44.425%0.25325%0.25SC..Hα-helixtrans-67-41.5179.5-172.4171-70.1970.2112.1V427 E428 V431 E441 D442 V443 S449V427-R445 HydrophobicContact CG1-CG 3.94Å; E428-R445 IonicContact OE1-CZ 2.94Å; E428-R445 IonicContact OE1-NE 3.28Å; E428-R445 PolarHBondContact OE1-NE 3.36Å; E428-R445 IonicContact OE1-NH2 2.72Å; E428-R445 PolarHBondContact OE1-NH2 3.43Å; E428-R445 IonicContact OE2-CZ 3.23Å; E428-R445 IonicContact OE2-NE 2.71Å; E428-R445 IonicContact OE2-NH2 2.83Å; E428-R445 PolarHBondContact OE2-NH2 2.85Å; V431-R445 HydrophobicContact CG2-CB 3.69Å; V431-R445 HydrophobicContact CG2-CG 4.26Å; E441-R445 VanDerWaalsContact O-CB 3.3Å; E441-R445 WeakPolarHBondContact O-CB 3.42Å; E441-R445 PolarHBondContact O-N 3.13Å; E441-R445 PolarHBondContact O-NH1 3.34Å; D442-R445 PolarHBondContact O-N 3.44Å; D442-R445 IonicContact OD1-NH1 3.73Å; V443-R445 VanDerWaalsContact C-N 3.3Å; V443-R445 PolarHBondContact O-N 2.79Å; R445-S449 WeakPolarHBondContact O-CB 3.33Å; R445-S449 PolarHBondContact O-N 3.3Å; R445-S449 PolarHBondContact O-OG 3.26Å
446R95.7Very high95.3Very high114 Ų11443.6 Ų43.643%0.4325%0.25SS..Hα-helixtrans-62.4-47.6175.2-75.5-169.1-60.2-86.64.5111.4D442 V443 S449 K450 E475D442-R446 WeakPolarHBondContact O-CG 3.42Å; D442-R446 PolarHBondContact O-N 2.59Å; D442-R446 PolarHBondContact O-NH1 3.06Å; V443-R446 PolarHBondContact O-N 2.78Å; R446-S449 PolarHBondContact O-N 3.38Å; R446-K450 VanDerWaalsContact O-CB 3.23Å; R446-K450 WeakPolarHBondContact O-CB 3.27Å; R446-K450 PolarHBondContact O-N 2.74Å; R446-E475 VanDerWaalsContact CB-OE1 3.31Å; R446-E475 WeakPolarHBondContact CB-OE1 2.95Å; R446-E475 IonicContact CZ-OE1 2.7Å; R446-E475 IonicContact CZ-OE2 2.6Å; R446-E475 VanDerWaalsContact CZ-OE2 3.28Å; R446-E475 IonicContact NE-OE1 2.68Å; R446-E475 PolarHBondContact NE-OE1 2.91Å; R446-E475 IonicContact NE-OE2 3.94Å; R446-E475 PolarHBondContact NE-OE2 3.04Å; R446-E475 IonicContact NH2-OE2 3.74Å; R446-E475 PolarHBondContact NH2-OE2 3.4Å
447L97.6Very high95.7Very high2 Ų244.1 Ų44.11%0.0123%0.234CC..Hα-helixtrans-62.9-47.7177.8-68-178.7000111.9V443 A444 S449 K450 Y451 V455 L458 F459 E475 V478 E479V443-L447 HydrophobicContact CG1-CD1 4.05Å; V443-L447 HydrophobicContact CG1-CG 4.38Å; V443-L447 WeakPolarHBondContact O-CG 3.44Å; V443-L447 PolarHBondContact O-N 3.29Å; A444-L447 PolarHBondContact O-N 3.14Å; L447-S449 VanDerWaalsContact C-N 3.32Å; L447-S449 PolarHBondContact O-N 2.64Å; L447-K450 PolarHBondContact O-N 2.91Å; L447-Y451 HydrophobicContact CD2-CD2 4.26Å; L447-Y451 HydrophobicContact CD2-CE2 4.11Å; L447-Y451 WeakPolarHBondContact O-CB 2.97Å; L447-Y451 WeakPolarHBondContact O-CD2 3.49Å; L447-Y451 PolarHBondContact O-N 3.18Å; L447-V455 HydrophobicContact CB-CG2 3.97Å; L447-L458 HydrophobicContact CD2-CD2 3.78Å; L447-F459 HydrophobicContact CB-CE1 4.37Å; L447-F459 HydrophobicContact CD1-CE1 4.26Å; L447-E475 HydrophobicContact CD2-CG 3.89Å; L447-E475 HydrophobicContact CG-CG 4.32Å; L447-V478 HydrophobicContact CD1-CG1 4.5Å; L447-E479 HydrophobicContact CD2-CG 3.84Å
448A98.2Very high96.3Very high0 Ų040.3 Ų40.30%022%0.217CC..Hα-helixtrans-63.6-39.5179.400000112.1V427 K430 A444 G452 V455V427-A448 HydrophobicContact CG1-CB 4.19Å; K430-A448 HydrophobicContact CB-CB 3.89Å; A444-A448 VanDerWaalsContact O-CB 3.25Å; A444-A448 WeakPolarHBondContact O-CB 3.23Å; A444-A448 PolarHBondContact O-N 3.34Å; A448-G452 WeakPolarHBondContact O-CA 3.06Å; A448-G452 PolarHBondContact O-N 3.42Å; A448-V455 HydrophobicContact CB-CG1 4.39Å; A448-V455 HydrophobicContact CB-CG2 4.1Å
449S97.3Very high96.8Very high45 Ų4537 Ų3732%0.31518%0.183SC..Hα-helixtrans-68.1-35.7177.8-64.10000112.1H96 R445 R446 L447H96-S449 WeakPolarHBondContact CB-O 3.23Å; H96-S449 VanDerWaalsContact O-O 3.1Å; R445-S449 WeakPolarHBondContact O-CB 3.33Å; R445-S449 PolarHBondContact O-N 3.3Å; R445-S449 PolarHBondContact O-OG 3.26Å; R446-S449 PolarHBondContact O-N 3.38Å; L447-S449 VanDerWaalsContact C-N 3.32Å; L447-S449 PolarHBondContact O-N 2.64Å
450K97.6Very high96.9Very high46 Ų4640.8 Ų40.820%0.220%0.203CC..Hα-helixtrans-83.1-36.6-177.5-178.9171.7176.1-179.80113.9H96 R446 L447 E479 R499 S500H96-K450 PolarHBondContact CD2-O 3.24Å; R446-K450 VanDerWaalsContact O-CB 3.23Å; R446-K450 WeakPolarHBondContact O-CB 3.27Å; R446-K450 PolarHBondContact O-N 2.74Å; L447-K450 PolarHBondContact O-N 2.91Å; K450-E479 IonicContact NZ-OE1 3.23Å; K450-E479 IonicContact NZ-OE2 3.57Å; K450-E479 PolarHBondContact NZ-OE2 3.48Å; K450-R499 VanDerWaalsContact CE-O 3.26Å; K450-R499 WeakPolarHBondContact CE-O 3.17Å; K450-R499 PolarHBondContact NZ-O 3.46Å; K450-S500 PolarHBondContact NZ-O 3.31Å
451Y98.6Very high96.9Very high0 Ų036.9 Ų36.90%018%0.182CC..Hα-helixtrans-108.8-9.3-171.8-69.2-84.5000113.8R172 G414 L447 S453 N454 L458 E479 Y482R172-Y451 PolarHBondContact NH2-OH 2.68Å; G414-Y451 WeakPolarHBondContact CA-O 3.37Å; L447-Y451 HydrophobicContact CD2-CD2 4.26Å; L447-Y451 HydrophobicContact CD2-CE2 4.11Å; L447-Y451 WeakPolarHBondContact O-CB 2.97Å; L447-Y451 WeakPolarHBondContact O-CD2 3.49Å; L447-Y451 PolarHBondContact O-N 3.18Å; Y451-S453 PolarHBondContact O-N 3.25Å; Y451-N454 VanDerWaalsContact O-CB 3.31Å; Y451-N454 WeakPolarHBondContact O-CB 3.4Å; Y451-N454 PolarHBondContact O-N 2.74Å; Y451-L458 HydrophobicContact CD1-CD1 3.95Å; Y451-L458 HydrophobicContact CD1-CD2 4.17Å; Y451-L458 HydrophobicContact CD2-CD1 4.32Å; Y451-L458 HydrophobicContact CD2-CD2 3.35Å; Y451-L458 HydrophobicContact CE1-CD2 4.27Å; Y451-L458 HydrophobicContact CE2-CD2 3.48Å; Y451-L458 VanDerWaalsContact CE2-CD2 3.48Å; Y451-L458 HydrophobicContact CG-CD1 3.82Å; Y451-L458 HydrophobicContact CG-CD2 3.73Å; Y451-L458 HydrophobicContact CG-CG 4.48Å; Y451-E479 HydrophobicContact CE2-CG 3.75Å; Y451-E479 WeakPolarHBondContact OH-CG 3.39Å; Y451-E479 PolarHBondContact OH-OE2 3.47Å; Y451-Y482 HydrophobicContact CD1-CD1 4.06Å; Y451-Y482 AromaticContact CD1-CE1 3.65Å; Y451-Y482 HydrophobicContact CD1-CE1 3.65Å; Y451-Y482 AromaticContact CE1-CD1 3.68Å; Y451-Y482 HydrophobicContact CE1-CD1 3.68Å; Y451-Y482 AromaticContact CE1-CE1 3.63Å; Y451-Y482 HydrophobicContact CE1-CE1 3.63Å
452G98.6Very high96.8Very high0 Ų033.4 Ų33.40%017%0.168CC..G310 helixtrans55.8-132.2178.200000112G414 F426 A448 N454 V455G414-G452 CarbonylContact O-C 3.2Å; G414-G452 WeakPolarHBondContact O-CA 3.46Å; F426-G452 WeakPolarHBondContact CE1-O 3.48Å; A448-G452 WeakPolarHBondContact O-CA 3.06Å; A448-G452 PolarHBondContact O-N 3.42Å; G452-N454 PolarHBondContact O-N 2.85Å; G452-N454 VanDerWaalsContact O-N 3.11Å; G452-V455 VanDerWaalsContact O-CB 3.31Å; G452-V455 WeakPolarHBondContact O-CB 3.5Å; G452-V455 WeakPolarHBondContact O-CG1 3.38Å; G452-V455 PolarHBondContact O-N 3.25Å
453S98.5Very high96.4Very high25 Ų2534.5 Ų34.518%0.17517%0.17CC..G310 helixtrans-61.7-17.4179.159.60000114.5G414 D416 Y451 V455G414-S453 WeakPolarHBondContact CA-OG 3.49Å; G414-S453 PolarHBondContact O-N 2.85Å; G414-S453 PolarHBondContact O-OG 3.25Å; D416-S453 PolarHBondContact N-OG 3.44Å; Y451-S453 PolarHBondContact O-N 3.25Å; S453-V455 PolarHBondContact O-N 2.89Å
454N98.7Very high95.9Very high16 Ų1638.3 Ų38.39%0.08619%0.194CC..G310 helixtrans-74.4-12175.4-66.5-27.2000113.1E176 K179 S413 G414 Y451 G452 D456 E457 L458 Y482E176-N454 PolarHBondContact OE2-ND2 3.03Å; K179-N454 PolarHBondContact NZ-ND2 2.72Å; S413-N454 PolarHBondContact OG-ND2 2.89Å; S413-N454 PolarHBondContact OG-OD1 2.95Å; G414-N454 WeakPolarHBondContact CA-ND2 3.17Å; G414-N454 PolarHBondContact N-ND2 3.03Å; G414-N454 PolarHBondContact N-OD1 3.13Å; Y451-N454 VanDerWaalsContact O-CB 3.31Å; Y451-N454 WeakPolarHBondContact O-CB 3.4Å; Y451-N454 PolarHBondContact O-N 2.74Å; G452-N454 PolarHBondContact O-N 2.85Å; G452-N454 VanDerWaalsContact O-N 3.11Å; N454-D456 PolarHBondContact O-N 3.34Å; N454-D456 VanDerWaalsContact O-N 3.11Å; N454-E457 PolarHBondContact O-N 3.25Å; N454-L458 VanDerWaalsContact O-CD1 3.23Å; N454-L458 WeakPolarHBondContact O-CD1 3.38Å; N454-Y482 VanDerWaalsContact CB-OH 3.27Å; N454-Y482 WeakPolarHBondContact CB-OH 3.38Å; N454-Y482 VanDerWaalsContact CG-OH 3.31Å; N454-Y482 PolarHBondContact ND2-OH 2.94Å
455V98.5Very high94.9Very high0 Ų039.5 Ų39.50%020%0.202CC..Hα-helixtrans-58.5-26.2-176.774.90000113.8F426 K430 L447 A448 G452 S453 E457 L458 F459F426-V455 HydrophobicContact CE1-CG1 4.48Å; F426-V455 HydrophobicContact CZ-CG1 4.39Å; K430-V455 HydrophobicContact CB-CG1 4.12Å; K430-V455 HydrophobicContact CD-CG1 3.88Å; K430-V455 HydrophobicContact CG-CG1 3.75Å; L447-V455 HydrophobicContact CB-CG2 3.97Å; A448-V455 HydrophobicContact CB-CG1 4.39Å; A448-V455 HydrophobicContact CB-CG2 4.1Å; G452-V455 VanDerWaalsContact O-CB 3.31Å; G452-V455 WeakPolarHBondContact O-CB 3.5Å; G452-V455 WeakPolarHBondContact O-CG1 3.38Å; G452-V455 PolarHBondContact O-N 3.25Å; S453-V455 PolarHBondContact O-N 2.89Å; V455-E457 VanDerWaalsContact C-N 3.28Å; V455-E457 PolarHBondContact O-N 3.35Å; V455-L458 WeakPolarHBondContact O-CB 3.46Å; V455-L458 PolarHBondContact O-N 3.29Å; V455-L458 VanDerWaalsContact O-N 3.11Å; V455-F459 HydrophobicContact CG1-CE2 4.22Å; V455-F459 HydrophobicContact CG2-CD1 4.05Å; V455-F459 HydrophobicContact CG2-CD2 4.26Å; V455-F459 HydrophobicContact CG2-CE1 3.56Å; V455-F459 HydrophobicContact CG2-CE2 3.79Å; V455-F459 HydrophobicContact CG2-CG 4.39Å; V455-F459 HydrophobicContact CG2-CZ 3.42Å; V455-F459 VanDerWaalsContact CG2-CZ 3.42Å; V455-F459 WeakPolarHBondContact O-CG 3.49Å; V455-F459 PolarHBondContact O-N 3.12Å
456D97.2Very high93.7Very high75 Ų7544.3 Ų44.340%0.40123%0.227SC..Hα-helixtrans-62.6-36.2176.9-71.2-30.9000112.1K430 N454 L458 F459 N460K430-D456 WeakPolarHBondContact CE-OD1 3.4Å; K430-D456 IonicContact NZ-OD1 3.38Å; K430-D456 PolarHBondContact NZ-OD1 2.83Å; K430-D456 IonicContact NZ-OD2 2.93Å; K430-D456 PolarHBondContact NZ-OD2 3.15Å; N454-D456 PolarHBondContact O-N 3.34Å; N454-D456 VanDerWaalsContact O-N 3.11Å; D456-L458 VanDerWaalsContact C-N 3.34Å; D456-F459 PolarHBondContact O-N 2.92Å; D456-N460 WeakPolarHBondContact O-CB 3.46Å; D456-N460 PolarHBondContact O-N 3.36Å
457E96.7Very high93.1Very high81 Ų8141.6 Ų41.638%0.37922%0.218SC..Hα-helixtrans-68.1-37.4174.8-63.8-171.7172.700111.1N454 V455 N460 I461 Y482 Q486N454-E457 PolarHBondContact O-N 3.25Å; V455-E457 VanDerWaalsContact C-N 3.28Å; V455-E457 PolarHBondContact O-N 3.35Å; E457-N460 PolarHBondContact O-N 2.87Å; E457-I461 WeakPolarHBondContact O-CG1 3.5Å; E457-I461 PolarHBondContact O-N 3.3Å; E457-Y482 HydrophobicContact CB-CD2 4.1Å; E457-Y482 HydrophobicContact CB-CE2 3.8Å; E457-Y482 VanDerWaalsContact OE2-CE2 3.29Å; E457-Y482 WeakPolarHBondContact OE2-CE2 3.41Å; E457-Q486 VanDerWaalsContact OE2-CG 3.26Å; E457-Q486 WeakPolarHBondContact OE2-CG 3.43Å; E457-Q486 PolarHBondContact OE2-NE2 2.69Å
458L97.2Very high92.2Very high0 Ų048.5 Ų48.50%025%0.25CC..Hα-helixtrans-65.6-44.2175.5-76.186.6000111.4L447 Y451 N454 V455 D456 N460 I461 A462 V478 E479 Y482L447-L458 HydrophobicContact CD2-CD2 3.78Å; Y451-L458 HydrophobicContact CD1-CD1 3.95Å; Y451-L458 HydrophobicContact CD1-CD2 4.17Å; Y451-L458 HydrophobicContact CD2-CD1 4.32Å; Y451-L458 HydrophobicContact CD2-CD2 3.35Å; Y451-L458 HydrophobicContact CE1-CD2 4.27Å; Y451-L458 HydrophobicContact CE2-CD2 3.48Å; Y451-L458 VanDerWaalsContact CE2-CD2 3.48Å; Y451-L458 HydrophobicContact CG-CD1 3.82Å; Y451-L458 HydrophobicContact CG-CD2 3.73Å; Y451-L458 HydrophobicContact CG-CG 4.48Å; N454-L458 VanDerWaalsContact O-CD1 3.23Å; N454-L458 WeakPolarHBondContact O-CD1 3.38Å; V455-L458 WeakPolarHBondContact O-CB 3.46Å; V455-L458 PolarHBondContact O-N 3.29Å; V455-L458 VanDerWaalsContact O-N 3.11Å; D456-L458 VanDerWaalsContact C-N 3.34Å; L458-N460 VanDerWaalsContact C-N 3.31Å; L458-N460 PolarHBondContact O-N 3.41Å; L458-I461 WeakPolarHBondContact O-CB 3.41Å; L458-I461 PolarHBondContact O-N 2.99Å; L458-A462 PolarHBondContact O-N 3.32Å; L458-V478 HydrophobicContact CB-CG1 3.56Å; L458-V478 HydrophobicContact CD2-CG1 4.04Å; L458-V478 HydrophobicContact CG-CG1 3.92Å; L458-V478 WeakPolarHBondContact O-CG1 3.38Å; L458-E479 HydrophobicContact CD2-CG 4.41Å; L458-Y482 HydrophobicContact CD1-CD1 3.86Å; L458-Y482 HydrophobicContact CD1-CD2 3.44Å; L458-Y482 VanDerWaalsContact CD1-CD2 3.44Å; L458-Y482 HydrophobicContact CD1-CE1 3.95Å; L458-Y482 HydrophobicContact CD1-CE2 3.55Å; L458-Y482 HydrophobicContact CD1-CG 3.62Å; L458-Y482 HydrophobicContact CD2-CG 4.5Å; L458-Y482 HydrophobicContact CG-CD1 4.32Å; L458-Y482 HydrophobicContact CG-CD2 3.91Å; L458-Y482 HydrophobicContact CG-CG 3.83Å
459F96.4Very high91.5Very high1 Ų155 Ų550%0.00428%0.284CS..Hα-helixtrans-64.5-36.1176-66.6-17.7000112.3K430 A434 F437 I439 A444 L447 V455 D456 A462 Q463K430-F459 HydrophobicContact CB-CE2 4.19Å; K430-F459 WeakPolarHBondContact O-CE2 3.4Å; A434-F459 HydrophobicContact CB-CD2 4.41Å; A434-F459 HydrophobicContact CB-CE1 4.03Å; A434-F459 HydrophobicContact CB-CE2 3.81Å; A434-F459 HydrophobicContact CB-CZ 3.59Å; F437-F459 HydrophobicContact CD2-CB 4.07Å; F437-F459 HydrophobicContact CD2-CG 4.48Å; F437-F459 HydrophobicContact CE2-CB 4.09Å; F437-F459 HydrophobicContact CE2-CD2 4.49Å; I439-F459 HydrophobicContact CD1-CB 4.33Å; I439-F459 HydrophobicContact CD1-CD1 3.53Å; I439-F459 HydrophobicContact CD1-CE1 4.06Å; I439-F459 HydrophobicContact CD1-CG 4.08Å; A444-F459 HydrophobicContact CB-CE1 4.39Å; A444-F459 HydrophobicContact CB-CZ 4.17Å; L447-F459 HydrophobicContact CB-CE1 4.37Å; L447-F459 HydrophobicContact CD1-CE1 4.26Å; V455-F459 HydrophobicContact CG1-CE2 4.22Å; V455-F459 HydrophobicContact CG2-CD1 4.05Å; V455-F459 HydrophobicContact CG2-CD2 4.26Å; V455-F459 HydrophobicContact CG2-CE1 3.56Å; V455-F459 HydrophobicContact CG2-CE2 3.79Å; V455-F459 HydrophobicContact CG2-CG 4.39Å; V455-F459 HydrophobicContact CG2-CZ 3.42Å; V455-F459 VanDerWaalsContact CG2-CZ 3.42Å; V455-F459 WeakPolarHBondContact O-CG 3.49Å; V455-F459 PolarHBondContact O-N 3.12Å; D456-F459 PolarHBondContact O-N 2.92Å; F459-A462 WeakPolarHBondContact O-CB 3.38Å; F459-A462 PolarHBondContact O-N 2.93Å; F459-Q463 PolarHBondContact O-N 2.91Å
460N93.9Very high91.1Very high90 Ų9053.5 Ų53.548%0.48127%0.274SS..Hα-helixtrans-64.1-40173.9-173.738.8000112.1D456 E457 L458 Q463 T464D456-N460 WeakPolarHBondContact O-CB 3.46Å; D456-N460 PolarHBondContact O-N 3.36Å; E457-N460 PolarHBondContact O-N 2.87Å; L458-N460 VanDerWaalsContact C-N 3.31Å; L458-N460 PolarHBondContact O-N 3.41Å; N460-Q463 PolarHBondContact O-N 3.46Å; N460-T464 WeakPolarHBondContact O-CB 3.19Å; N460-T464 WeakPolarHBondContact O-CG2 3.27Å; N460-T464 PolarHBondContact O-N 3.34Å; N460-T464 PolarHBondContact O-OG1 3.29Å
461I94.3Very high90.8Very high11 Ų1158.9 Ų58.96%0.05630%0.297CS..Hα-helixtrans-61.9-45.5172.7-68161.3000110.5E457 L458 Q463 T464 S465 Y477 V478 V481 Y482E457-I461 WeakPolarHBondContact O-CG1 3.5Å; E457-I461 PolarHBondContact O-N 3.3Å; L458-I461 WeakPolarHBondContact O-CB 3.41Å; L458-I461 PolarHBondContact O-N 2.99Å; I461-Q463 PolarHBondContact O-N 3Å; I461-T464 PolarHBondContact O-N 3.47Å; I461-S465 VanDerWaalsContact O-CB 3.24Å; I461-S465 WeakPolarHBondContact O-CB 3.33Å; I461-S465 PolarHBondContact O-N 3.37Å; I461-S465 VanDerWaalsContact O-N 3.11Å; I461-S465 PolarHBondContact O-OG 3.04Å; I461-Y477 HydrophobicContact CG2-CE1 4.35Å; I461-V478 HydrophobicContact CB-CG1 4.33Å; I461-V478 HydrophobicContact CG2-CB 4.43Å; I461-V478 HydrophobicContact CG2-CG1 4.35Å; I461-V478 HydrophobicContact CG2-CG2 4.18Å; I461-V481 HydrophobicContact CD1-CB 4.43Å; I461-V481 HydrophobicContact CD1-CG1 3.97Å; I461-V481 HydrophobicContact CG1-CG1 4.14Å; I461-V481 HydrophobicContact CG2-CB 3.89Å; I461-V481 HydrophobicContact CG2-CG1 3.74Å; I461-V481 HydrophobicContact CG2-CG2 4.49Å; I461-Y482 HydrophobicContact CD1-CD2 4.21Å
462A92.1Very high90.7Very high14 Ų1459.3 Ų59.312%0.11630%0.3CS..Hα-helixtrans-58.1-38.2177.900000112.3I439 L458 F459 L474 V478I439-A462 HydrophobicContact CD1-CB 3.8Å; I439-A462 HydrophobicContact CG1-CB 4.4Å; L458-A462 PolarHBondContact O-N 3.32Å; F459-A462 WeakPolarHBondContact O-CB 3.38Å; F459-A462 PolarHBondContact O-N 2.93Å; A462-L474 HydrophobicContact CB-CD1 4.05Å; A462-V478 HydrophobicContact CB-CG2 3.72Å
463Q88.2Confident90.5Very high117 Ų11761.7 Ų61.755%0.54732%0.315SS..Hα-helixtrans-76.7-34.8-179.3-171-179.524.900113.5F437 F459 N460 I461F437-Q463 HydrophobicContact CD1-CB 4.48Å; F437-Q463 HydrophobicContact CD1-CG 4.23Å; F459-Q463 PolarHBondContact O-N 2.91Å; N460-Q463 PolarHBondContact O-N 3.46Å; I461-Q463 PolarHBondContact O-N 3Å
464T83.6Confident90.2Very high101 Ų10162 Ų6262%0.6232%0.315SS*.Hα-helixtrans-95.3-10-170.654.70000114N460 I461N460-T464 WeakPolarHBondContact O-CB 3.19Å; N460-T464 WeakPolarHBondContact O-CG2 3.27Å; N460-T464 PolarHBondContact O-N 3.34Å; N460-T464 PolarHBondContact O-OG1 3.29Å; I461-T464 PolarHBondContact O-N 3.47Å
465S76.3Confident90Very high25 Ų2562.6 Ų62.618%0.17532%0.317CS..  trans-96.6143.1-17557.80000113.7I461 Y467 Y477I461-S465 VanDerWaalsContact O-CB 3.24Å; I461-S465 WeakPolarHBondContact O-CB 3.33Å; I461-S465 PolarHBondContact O-N 3.37Å; I461-S465 VanDerWaalsContact O-N 3.11Å; I461-S465 PolarHBondContact O-OG 3.04Å; S465-Y467 PolarHBondContact O-N 2.8Å; S465-Y467 VanDerWaalsContact O-N 3.16Å; S465-Y477 VanDerWaalsContact CB-CE1 3.4Å; S465-Y477 WeakPolarHBondContact OG-CE1 3.13Å
466Q73.4Confident89.9Confident167 Ų16762.9 Ų62.978%0.7832%0.318SS*.  trans-86.457.5167.2-66.4-176.83.200110.1H468Q466-H468 PolarHBondContact O-N 3.41Å
467Y82.4Confident89.9Confident58 Ų5861.1 Ų61.123%0.22731%0.306CS..G310 helixtrans-64.9-13.9-172.482-83.2000113.9S465 D469 S470 L474S465-Y467 PolarHBondContact O-N 2.8Å; S465-Y467 VanDerWaalsContact O-N 3.16Å; Y467-D469 PolarHBondContact O-N 3.03Å; Y467-D469 VanDerWaalsContact O-N 3.14Å; Y467-S470 WeakPolarHBondContact O-CB 3.36Å; Y467-S470 PolarHBondContact O-N 3.19Å; Y467-S470 PolarHBondContact O-OG 3.47Å; Y467-L474 HydrophobicContact CD1-CD1 3.66Å; Y467-L474 HydrophobicContact CD2-CB 4.23Å; Y467-L474 HydrophobicContact CD2-CD1 4.14Å; Y467-L474 HydrophobicContact CE1-CD1 3.75Å; Y467-L474 HydrophobicContact CE2-CB 3.83Å; Y467-L474 HydrophobicContact CE2-CD1 4.22Å; Y467-L474 HydrophobicContact CG-CD1 3.86Å
468H78.6Confident89.9Confident147 Ų14757.2 Ų57.268%0.68129%0.288SS*.G310 helixtrans-58.6-27.5-178.1-70-63.5000113.6Q466 S470Q466-H468 PolarHBondContact O-N 3.41Å; H468-S470 VanDerWaalsContact C-N 3.34Å
469D83.3Confident89.9Confident135 Ų13557.4 Ų57.472%0.72229%0.289SS*.G310 helixtrans-85.9-7.3177.1-63.4-34.9000113.1Y467 K471Y467-D469 PolarHBondContact O-N 3.03Å; Y467-D469 VanDerWaalsContact O-N 3.14Å; D469-K471 VanDerWaalsContact C-N 3.29Å; D469-K471 PolarHBondContact O-N 2.93Å
470S88.3Confident90Very high15 Ų1557.4 Ų57.411%0.10529%0.289CS..G310 helixtrans-74.5-14.8-174.275.20000114.6Y467 H468 L472 Y477Y467-S470 WeakPolarHBondContact O-CB 3.36Å; Y467-S470 PolarHBondContact O-N 3.19Å; Y467-S470 PolarHBondContact O-OG 3.47Å; H468-S470 VanDerWaalsContact C-N 3.34Å; S470-L472 PolarHBondContact O-N 3.18Å; S470-L472 PolarHBondContact OG-N 3.36Å; S470-L472 VanDerWaalsContact OG-N 3.13Å; S470-Y477 VanDerWaalsContact CB-CD2 3.42Å
471K92.4Very high90.2Very high158 Ų15853.4 Ų53.469%0.68727%0.268SS*.  trans58.67.2-169.1-49.8170.6-172.5162.40114.5D469 A516D469-K471 VanDerWaalsContact C-N 3.29Å; D469-K471 PolarHBondContact O-N 2.93Å; K471-A516 HydrophobicContact CB-CB 4.19Å
472L95.8Very high90.4Very high10 Ų1053 Ų535%0.05227%0.265CS..SBendtrans-99.4147.1175.9-67.4-175.1000111.3S470 I476 L480 Y513 A516 V517 I520S470-L472 PolarHBondContact O-N 3.18Å; S470-L472 PolarHBondContact OG-N 3.36Å; S470-L472 VanDerWaalsContact OG-N 3.13Å; L472-I476 HydrophobicContact CD1-CG2 4.09Å; L472-I476 HydrophobicContact CD2-CG2 4.24Å; L472-L480 HydrophobicContact CD1-CD2 4.19Å; L472-Y513 HydrophobicContact CD2-CD1 3.99Å; L472-Y513 HydrophobicContact CD2-CG 3.99Å; L472-A516 HydrophobicContact CD2-CB 3.57Å; L472-A516 HydrophobicContact CG-CB 3.94Å; L472-V517 HydrophobicContact CD1-CG2 4.14Å; L472-V517 HydrophobicContact CD2-CG2 4.15Å; L472-I520 HydrophobicContact CD1-CD1 3.33Å; L472-I520 HydrophobicContact CG-CD1 3.83Å
473P94.1Very high90.8Very high50 Ų5052.3 Ų52.333%0.32526%0.26SS..  trans-56.9144.2160.5-20.232000110.3E475 I476 Y477 Y513P473-E475 PolarHBondContact O-N 3.46Å; P473-E475 VanDerWaalsContact O-N 3.13Å; P473-I476 HydrophobicContact CB-CG1 4.36Å; P473-I476 HydrophobicContact CG-CD1 4.11Å; P473-I476 HydrophobicContact CG-CG1 4.36Å; P473-I476 PolarHBondContact O-N 3.14Å; P473-Y477 PolarHBondContact O-N 3.36Å; P473-Y513 HydrophobicContact CG-CE1 3.93Å; P473-Y513 HydrophobicContact CG-CE2 3.82Å; P473-Y513 VanDerWaalsContact CG-CZ 3.48Å; P473-Y513 WeakPolarHBondContact CG-OH 3.19Å
474L92.5Very high91.3Very high31 Ų3146.7 Ų46.716%0.16223%0.234CC..Hα-helixtrans-48.6-45.4-177.317763.2000112.9I439 A462 Y467 I476 Y477 V478I439-L474 HydrophobicContact CG1-CD2 4.4Å; I439-L474 HydrophobicContact CG2-CD2 4.49Å; A462-L474 HydrophobicContact CB-CD1 4.05Å; Y467-L474 HydrophobicContact CD1-CD1 3.66Å; Y467-L474 HydrophobicContact CD2-CB 4.23Å; Y467-L474 HydrophobicContact CD2-CD1 4.14Å; Y467-L474 HydrophobicContact CE1-CD1 3.75Å; Y467-L474 HydrophobicContact CE2-CB 3.83Å; Y467-L474 HydrophobicContact CE2-CD1 4.22Å; Y467-L474 HydrophobicContact CG-CD1 3.86Å; L474-I476 PolarHBondContact O-N 2.94Å; L474-Y477 PolarHBondContact O-N 3.04Å; L474-V478 HydrophobicContact CD1-CG2 3.69Å; L474-V478 HydrophobicContact CG-CG2 4.19Å; L474-V478 WeakPolarHBondContact O-CB 3.24Å; L474-V478 WeakPolarHBondContact O-CG2 3.23Å; L474-V478 PolarHBondContact O-N 2.97Å
475E94.1Very high91.9Very high28 Ų2845 Ų4513%0.13122%0.219CC..Hα-helixtrans-58.7-46.7-179.8-170.9173.4-170.800112V443 R446 L447 P473 V478 E479V443-E475 HydrophobicContact CG1-CB 3.97Å; V443-E475 HydrophobicContact CG1-CG 4.28Å; R446-E475 VanDerWaalsContact CB-OE1 3.31Å; R446-E475 WeakPolarHBondContact CB-OE1 2.95Å; R446-E475 IonicContact CZ-OE1 2.7Å; R446-E475 IonicContact CZ-OE2 2.6Å; R446-E475 VanDerWaalsContact CZ-OE2 3.28Å; R446-E475 IonicContact NE-OE1 2.68Å; R446-E475 PolarHBondContact NE-OE1 2.91Å; R446-E475 IonicContact NE-OE2 3.94Å; R446-E475 PolarHBondContact NE-OE2 3.04Å; R446-E475 IonicContact NH2-OE2 3.74Å; R446-E475 PolarHBondContact NH2-OE2 3.4Å; L447-E475 HydrophobicContact CD2-CG 3.89Å; L447-E475 HydrophobicContact CG-CG 4.32Å; P473-E475 PolarHBondContact O-N 3.46Å; P473-E475 VanDerWaalsContact O-N 3.13Å; E475-V478 PolarHBondContact O-N 3Å; E475-E479 WeakPolarHBondContact O-CB 3.47Å; E475-E479 VanDerWaalsContact O-CG 3.28Å; E475-E479 WeakPolarHBondContact O-CG 3.4Å; E475-E479 PolarHBondContact O-N 3.12Å
476I96.7Very high93Very high6 Ų645.7 Ų45.73%0.03122%0.219CC..Hα-helixtrans-67.7-43.1-179.4-52.6-169.3000110.5L472 P473 L474 L480 F495 K502 Y513 V517L472-I476 HydrophobicContact CD1-CG2 4.09Å; L472-I476 HydrophobicContact CD2-CG2 4.24Å; P473-I476 HydrophobicContact CB-CG1 4.36Å; P473-I476 HydrophobicContact CG-CD1 4.11Å; P473-I476 HydrophobicContact CG-CG1 4.36Å; P473-I476 PolarHBondContact O-N 3.14Å; L474-I476 PolarHBondContact O-N 2.94Å; I476-L480 VanDerWaalsContact O-CB 3.32Å; I476-L480 WeakPolarHBondContact O-CB 3.46Å; I476-L480 PolarHBondContact O-N 2.62Å; I476-F495 HydrophobicContact CG2-CE1 3.87Å; I476-F495 HydrophobicContact CG2-CZ 3.93Å; I476-K502 HydrophobicContact CD1-CD 4.28Å; I476-Y513 HydrophobicContact CD1-CD2 3.48Å; I476-Y513 VanDerWaalsContact CD1-CD2 3.48Å; I476-Y513 HydrophobicContact CD1-CE2 3.9Å; I476-Y513 HydrophobicContact CD1-CG 4.19Å; I476-V517 HydrophobicContact CG2-CG2 4.35Å
477Y97.1Very high94.2Very high38 Ų3837.8 Ų37.815%0.14918%0.182CC..Hα-helixtrans-59-50.1177.6179-89.6000111.7I461 S465 S470 P473 L474 L480 V481 I520I461-Y477 HydrophobicContact CG2-CE1 4.35Å; S465-Y477 VanDerWaalsContact CB-CE1 3.4Å; S465-Y477 WeakPolarHBondContact OG-CE1 3.13Å; S470-Y477 VanDerWaalsContact CB-CD2 3.42Å; P473-Y477 PolarHBondContact O-N 3.36Å; L474-Y477 PolarHBondContact O-N 3.04Å; Y477-L480 PolarHBondContact O-N 2.66Å; Y477-V481 HydrophobicContact CD1-CG2 4.23Å; Y477-V481 HydrophobicContact CE1-CG2 3.73Å; Y477-V481 HydrophobicContact CE2-CG2 4.18Å; Y477-V481 WeakPolarHBondContact O-CG2 3.37Å; Y477-V481 PolarHBondContact O-N 3.25Å; Y477-I520 HydrophobicContact CD2-CD1 3.96Å; Y477-I520 HydrophobicContact CE2-CD1 4.26Å
478V97Very high95Very high0 Ų035 Ų350%017%0.171CC..Hα-helixtrans-63.5-45.1-178.1169.80000111L447 L458 I461 A462 L474 E475 L480 Y482L447-V478 HydrophobicContact CD1-CG1 4.5Å; L458-V478 HydrophobicContact CB-CG1 3.56Å; L458-V478 HydrophobicContact CD2-CG1 4.04Å; L458-V478 HydrophobicContact CG-CG1 3.92Å; L458-V478 WeakPolarHBondContact O-CG1 3.38Å; I461-V478 HydrophobicContact CB-CG1 4.33Å; I461-V478 HydrophobicContact CG2-CB 4.43Å; I461-V478 HydrophobicContact CG2-CG1 4.35Å; I461-V478 HydrophobicContact CG2-CG2 4.18Å; A462-V478 HydrophobicContact CB-CG2 3.72Å; L474-V478 HydrophobicContact CD1-CG2 3.69Å; L474-V478 HydrophobicContact CG-CG2 4.19Å; L474-V478 WeakPolarHBondContact O-CB 3.24Å; L474-V478 WeakPolarHBondContact O-CG2 3.23Å; L474-V478 PolarHBondContact O-N 2.97Å; E475-V478 PolarHBondContact O-N 3Å; V478-L480 VanDerWaalsContact C-N 3.32Å; V478-L480 PolarHBondContact O-N 3.22Å; V478-Y482 WeakPolarHBondContact O-CB 3.26Å; V478-Y482 PolarHBondContact O-N 3.12Å
479E98.3Very high95.9Very high4 Ų428 Ų282%0.01914%0.139CC..Hα-helixtrans-61.2-41.5175.9-71.4-168.7-13200111.7L447 K450 Y451 L458 E475 Y482 S483 F495L447-E479 HydrophobicContact CD2-CG 3.84Å; K450-E479 IonicContact NZ-OE1 3.23Å; K450-E479 IonicContact NZ-OE2 3.57Å; K450-E479 PolarHBondContact NZ-OE2 3.48Å; Y451-E479 HydrophobicContact CE2-CG 3.75Å; Y451-E479 WeakPolarHBondContact OH-CG 3.39Å; Y451-E479 PolarHBondContact OH-OE2 3.47Å; L458-E479 HydrophobicContact CD2-CG 4.41Å; E475-E479 WeakPolarHBondContact O-CB 3.47Å; E475-E479 VanDerWaalsContact O-CG 3.28Å; E475-E479 WeakPolarHBondContact O-CG 3.4Å; E475-E479 PolarHBondContact O-N 3.12Å; E479-Y482 PolarHBondContact O-N 2.74Å; E479-S483 VanDerWaalsContact O-CB 3.23Å; E479-S483 WeakPolarHBondContact O-CB 3.46Å; E479-S483 PolarHBondContact O-N 3.5Å; E479-S483 PolarHBondContact O-OG 2.9Å; E479-F495 HydrophobicContact CB-CE2 3.78Å; E479-F495 HydrophobicContact CB-CZ 4.13Å
480L98.6Very high96.6Very high0 Ų023.2 Ų23.20%011%0.111CC..Hα-helixtrans-62-52.7179.4177.461000111.5L472 I476 Y477 V478 Y482 S483 I484 F495 V517 I520 M521L472-L480 HydrophobicContact CD1-CD2 4.19Å; I476-L480 VanDerWaalsContact O-CB 3.32Å; I476-L480 WeakPolarHBondContact O-CB 3.46Å; I476-L480 PolarHBondContact O-N 2.62Å; Y477-L480 PolarHBondContact O-N 2.66Å; V478-L480 VanDerWaalsContact C-N 3.32Å; V478-L480 PolarHBondContact O-N 3.22Å; L480-Y482 VanDerWaalsContact C-N 3.33Å; L480-Y482 PolarHBondContact O-N 2.82Å; L480-S483 PolarHBondContact O-N 3.23Å; L480-I484 HydrophobicContact CD1-CD1 4.13Å; L480-I484 HydrophobicContact CG-CD1 4.13Å; L480-I484 WeakPolarHBondContact O-CG1 3.22Å; L480-I484 PolarHBondContact O-N 2.95Å; L480-F495 VanDerWaalsContact CA-CE2 3.5Å; L480-F495 HydrophobicContact CB-CD2 4.38Å; L480-F495 HydrophobicContact CB-CE1 4.18Å; L480-F495 HydrophobicContact CB-CE2 3.99Å; L480-F495 HydrophobicContact CB-CZ 3.86Å; L480-F495 HydrophobicContact CD1-CB 4.04Å; L480-F495 HydrophobicContact CD1-CD1 3.81Å; L480-F495 HydrophobicContact CD1-CD2 3.99Å; L480-F495 HydrophobicContact CD1-CE1 4.23Å; L480-F495 HydrophobicContact CD1-CE2 4.42Å; L480-F495 HydrophobicContact CD1-CG 3.66Å; L480-V517 HydrophobicContact CD1-CG1 4.13Å; L480-V517 HydrophobicContact CD2-CB 4.38Å; L480-V517 HydrophobicContact CD2-CG1 4.11Å; L480-V517 HydrophobicContact CD2-CG2 4.36Å; L480-I520 HydrophobicContact CD2-CB 3.96Å; L480-I520 HydrophobicContact CD2-CD1 4.26Å; L480-I520 HydrophobicContact CD2-CG2 3.8Å; L480-M521 HydrophobicContact CD1-CG 3.77Å; L480-M521 HydrophobicContact CD1-SD 3.84Å; L480-M521 HydrophobicContact CD2-CG 4.27Å; L480-M521 HydrophobicContact CG-CG 4.41Å
481V98Very high97.1Very high7 Ų724 Ų244%0.04211%0.112CC..Hα-helixtrans-61.1-44.8179.6173.10000110.5I461 Y477 S483 I484 Q485 M524I461-V481 HydrophobicContact CD1-CB 4.43Å; I461-V481 HydrophobicContact CD1-CG1 3.97Å; I461-V481 HydrophobicContact CG1-CG1 4.14Å; I461-V481 HydrophobicContact CG2-CB 3.89Å; I461-V481 HydrophobicContact CG2-CG1 3.74Å; I461-V481 HydrophobicContact CG2-CG2 4.49Å; Y477-V481 HydrophobicContact CD1-CG2 4.23Å; Y477-V481 HydrophobicContact CE1-CG2 3.73Å; Y477-V481 HydrophobicContact CE2-CG2 4.18Å; Y477-V481 WeakPolarHBondContact O-CG2 3.37Å; Y477-V481 PolarHBondContact O-N 3.25Å; V481-S483 VanDerWaalsContact C-N 3.34Å; V481-S483 PolarHBondContact O-N 3.08Å; V481-I484 PolarHBondContact O-N 2.86Å; V481-Q485 HydrophobicContact CG1-CG 4.41Å; V481-Q485 WeakPolarHBondContact O-CB 3.42Å; V481-Q485 VanDerWaalsContact O-CG 3.3Å; V481-Q485 WeakPolarHBondContact O-CG 3.16Å; V481-Q485 PolarHBondContact O-N 3.37Å; V481-M524 HydrophobicContact CG1-CE 4.22Å; V481-M524 HydrophobicContact CG2-CE 4.43Å; V481-M524 HydrophobicContact CG2-SD 4.04Å
482Y98.5Very high97.5Very high1 Ų116.5 Ų16.50%0.0048%0.08CC..Hα-helixtrans-57.9-47175.8178.8-101.8000111.3K179 Y451 N454 E457 L458 I461 V478 E479 L480 I484 Q485 Q486 E487K179-Y482 PolarHBondContact NZ-OH 2.89Å; Y451-Y482 HydrophobicContact CD1-CD1 4.06Å; Y451-Y482 AromaticContact CD1-CE1 3.65Å; Y451-Y482 HydrophobicContact CD1-CE1 3.65Å; Y451-Y482 AromaticContact CE1-CD1 3.68Å; Y451-Y482 HydrophobicContact CE1-CD1 3.68Å; Y451-Y482 AromaticContact CE1-CE1 3.63Å; Y451-Y482 HydrophobicContact CE1-CE1 3.63Å; N454-Y482 VanDerWaalsContact CB-OH 3.27Å; N454-Y482 WeakPolarHBondContact CB-OH 3.38Å; N454-Y482 VanDerWaalsContact CG-OH 3.31Å; N454-Y482 PolarHBondContact ND2-OH 2.94Å; E457-Y482 HydrophobicContact CB-CD2 4.1Å; E457-Y482 HydrophobicContact CB-CE2 3.8Å; E457-Y482 VanDerWaalsContact OE2-CE2 3.29Å; E457-Y482 WeakPolarHBondContact OE2-CE2 3.41Å; L458-Y482 HydrophobicContact CD1-CD1 3.86Å; L458-Y482 HydrophobicContact CD1-CD2 3.44Å; L458-Y482 VanDerWaalsContact CD1-CD2 3.44Å; L458-Y482 HydrophobicContact CD1-CE1 3.95Å; L458-Y482 HydrophobicContact CD1-CE2 3.55Å; L458-Y482 HydrophobicContact CD1-CG 3.62Å; L458-Y482 HydrophobicContact CD2-CG 4.5Å; L458-Y482 HydrophobicContact CG-CD1 4.32Å; L458-Y482 HydrophobicContact CG-CD2 3.91Å; L458-Y482 HydrophobicContact CG-CG 3.83Å; I461-Y482 HydrophobicContact CD1-CD2 4.21Å; V478-Y482 WeakPolarHBondContact O-CB 3.26Å; V478-Y482 PolarHBondContact O-N 3.12Å; E479-Y482 PolarHBondContact O-N 2.74Å; L480-Y482 VanDerWaalsContact C-N 3.33Å; L480-Y482 PolarHBondContact O-N 2.82Å; Y482-I484 VanDerWaalsContact C-N 3.33Å; Y482-I484 PolarHBondContact O-N 2.65Å; Y482-Q485 PolarHBondContact O-N 3.19Å; Y482-Q485 VanDerWaalsContact O-N 3.17Å; Y482-Q486 HydrophobicContact CD2-CB 4.23Å; Y482-Q486 HydrophobicContact CD2-CG 3.87Å; Y482-Q486 HydrophobicContact CE1-CB 4.28Å; Y482-Q486 HydrophobicContact CE2-CB 3.81Å; Y482-Q486 HydrophobicContact CE2-CG 3.58Å; Y482-Q486 WeakPolarHBondContact O-CB 3.49Å; Y482-Q486 PolarHBondContact O-N 2.85Å; Y482-E487 HydrophobicContact CD1-CG 4.27Å; Y482-E487 HydrophobicContact CE1-CG 3.99Å; Y482-E487 WeakPolarHBondContact CE1-OE1 3.45Å
483S98.8Very high97.6Very high0 Ų016.8 Ų16.80%08%0.082CC..Hα-helixtrans-64.9-34.2-178.9-71.10000113.6E479 L480 V481 E487 M488 V489 R499E479-S483 VanDerWaalsContact O-CB 3.23Å; E479-S483 WeakPolarHBondContact O-CB 3.46Å; E479-S483 PolarHBondContact O-N 3.5Å; E479-S483 PolarHBondContact O-OG 2.9Å; L480-S483 PolarHBondContact O-N 3.23Å; V481-S483 VanDerWaalsContact C-N 3.34Å; V481-S483 PolarHBondContact O-N 3.08Å; S483-E487 CarbonylContact O-C 3.56Å; S483-E487 VanDerWaalsContact O-C 3.3Å; S483-E487 VanDerWaalsContact O-CA 3.31Å; S483-E487 WeakPolarHBondContact O-CA 2.92Å; S483-E487 VanDerWaalsContact O-CB 3.3Å; S483-E487 WeakPolarHBondContact O-CB 3.14Å; S483-E487 PolarHBondContact O-N 2.98Å; S483-E487 PolarHBondContact OG-OE2 2.96Å; S483-M488 PolarHBondContact O-N 3.26Å; S483-V489 PolarHBondContact O-N 3.01Å; S483-R499 WeakPolarHBondContact OG-CB 3.26Å; S483-R499 VanDerWaalsContact OG-CG 3.24Å; S483-R499 WeakPolarHBondContact OG-CG 3.17Å
484I98.7Very high97.8Very high0 Ų014.4 Ų14.40%07%0.066CC..Hα-helixtrans-68-44.6172.6-66164000110.4T5 F6 L480 V481 Y482 V489 M521 M524 L525T5-I484 WeakPolarHBondContact CB-O 3.1Å; T5-I484 PolarHBondContact N-O 2.79Å; F6-I484 HydrophobicContact CE2-CG2 3.76Å; F6-I484 HydrophobicContact CZ-CG2 3.73Å; L480-I484 HydrophobicContact CD1-CD1 4.13Å; L480-I484 HydrophobicContact CG-CD1 4.13Å; L480-I484 WeakPolarHBondContact O-CG1 3.22Å; L480-I484 PolarHBondContact O-N 2.95Å; V481-I484 PolarHBondContact O-N 2.86Å; Y482-I484 VanDerWaalsContact C-N 3.33Å; Y482-I484 PolarHBondContact O-N 2.65Å; I484-V489 HydrophobicContact CG1-CB 4.45Å; I484-V489 HydrophobicContact CG1-CG1 4.14Å; I484-M521 HydrophobicContact CD1-CG 4.08Å; I484-M524 HydrophobicContact CD1-CE 4.16Å; I484-M524 HydrophobicContact CD1-SD 3.83Å; I484-M524 HydrophobicContact CG2-CE 4.22Å; I484-L525 HydrophobicContact CG2-CD2 3.79Å; I484-L525 HydrophobicContact CG2-CG 4.45Å
485Q97.8Very high98.1Very high64 Ų6413 Ų1330%0.2996%0.059SC..Hα-helixtrans-75.7-31.5-174.4-72.2177.90.900113.6S4 F6 V481 Y482S4-Q485 VanDerWaalsContact CA-O 3.25Å; S4-Q485 WeakPolarHBondContact CA-O 3.47Å; S4-Q485 WeakPolarHBondContact CB-O 3.4Å; S4-Q485 PolarHBondContact OG-O 2.79Å; F6-Q485 HydrophobicContact CD2-CG 4.43Å; F6-Q485 HydrophobicContact CE2-CG 3.91Å; V481-Q485 HydrophobicContact CG1-CG 4.41Å; V481-Q485 WeakPolarHBondContact O-CB 3.42Å; V481-Q485 VanDerWaalsContact O-CG 3.3Å; V481-Q485 WeakPolarHBondContact O-CG 3.16Å; V481-Q485 PolarHBondContact O-N 3.37Å; Y482-Q485 PolarHBondContact O-N 3.19Å; Y482-Q485 VanDerWaalsContact O-N 3.17Å
486Q98.5Very high98.3Very high41 Ų4111.8 Ų11.819%0.1925%0.053CC..Hα-helixtrans-128.2-7.2-166.6-58.4-66.4-7.200114.4L3 E457 Y482L3-Q486 CarbonylContact O-C 3.5Å; E457-Q486 VanDerWaalsContact OE2-CG 3.26Å; E457-Q486 WeakPolarHBondContact OE2-CG 3.43Å; E457-Q486 PolarHBondContact OE2-NE2 2.69Å; Y482-Q486 HydrophobicContact CD2-CB 4.23Å; Y482-Q486 HydrophobicContact CD2-CG 3.87Å; Y482-Q486 HydrophobicContact CE1-CB 4.28Å; Y482-Q486 HydrophobicContact CE2-CB 3.81Å; Y482-Q486 HydrophobicContact CE2-CG 3.58Å; Y482-Q486 WeakPolarHBondContact O-CB 3.49Å; Y482-Q486 PolarHBondContact O-N 2.85Å
487E98.7Very high98.4Very high0 Ų012.2 Ų12.20%06%0.056CC..BIsolated β-bridgetrans-134.911.9-170.6-42.3-166.1134.800114.1L3 R172 I175 K179 Y482 S483 V489 R499L3-E487 CarbonylContact O-C 3.57Å; L3-E487 WeakPolarHBondContact O-CA 3.09Å; L3-E487 PolarHBondContact O-N 2.87Å; R172-E487 IonicContact CZ-OE1 2.71Å; R172-E487 IonicContact CZ-OE2 2.75Å; R172-E487 IonicContact NH1-OE1 3.93Å; R172-E487 PolarHBondContact NH1-OE1 3.03Å; R172-E487 IonicContact NH1-OE2 3.39Å; R172-E487 PolarHBondContact NH1-OE2 2.79Å; R172-E487 VanDerWaalsContact NH1-OE2 3.13Å; R172-E487 IonicContact NH2-OE1 3.7Å; R172-E487 IonicContact NH2-OE2 3.59Å; R172-E487 PolarHBondContact NH2-OE2 2.95Å; I175-E487 HydrophobicContact CG2-CB 4.09Å; I175-E487 HydrophobicContact CG2-CG 4.26Å; K179-E487 HydrophobicContact CD-CG 4.12Å; K179-E487 IonicContact NZ-OE1 3.83Å; K179-E487 PolarHBondContact NZ-OE1 2.91Å; Y482-E487 HydrophobicContact CD1-CG 4.27Å; Y482-E487 HydrophobicContact CE1-CG 3.99Å; Y482-E487 WeakPolarHBondContact CE1-OE1 3.45Å; S483-E487 CarbonylContact O-C 3.56Å; S483-E487 VanDerWaalsContact O-C 3.3Å; S483-E487 VanDerWaalsContact O-CA 3.31Å; S483-E487 WeakPolarHBondContact O-CA 2.92Å; S483-E487 VanDerWaalsContact O-CB 3.3Å; S483-E487 WeakPolarHBondContact O-CB 3.14Å; S483-E487 PolarHBondContact O-N 2.98Å; S483-E487 PolarHBondContact OG-OE2 2.96Å; E487-V489 PolarHBondContact O-N 2.88Å; E487-V489 VanDerWaalsContact O-N 3.14Å; E487-R499 HydrophobicContact CB-CG 4.48Å; E487-R499 PolarHBondContact O-NH2 3.09Å; E487-R499 WeakPolarHBondContact OE2-CG 3.49Å
488M98.3Very high98.5Very high0 Ų010.9 Ų10.90%05%0.051CC..  trans51.135.5177.2-161.7173.8-73.300113.2L3 T5 R8 I11 F53 I188 I189 N190 S483 Y490L3-M488 HydrophobicContact CD1-CE 3.75Å; L3-M488 HydrophobicContact CD1-SD 4.46Å; L3-M488 HydrophobicContact CG-CB 4.07Å; L3-M488 HydrophobicContact CG-CE 4.25Å; L3-M488 WeakPolarHBondContact O-CA 3.19Å; L3-M488 WeakPolarHBondContact O-CB 3.37Å; L3-M488 PolarHBondContact O-N 3.3Å; T5-M488 WeakPolarHBondContact OG1-CA 3.44Å; R8-M488 HydrophobicContact CG-CG 4.46Å; R8-M488 HydrophobicContact CG-SD 4.45Å; I11-M488 HydrophobicContact CD1-CE 3.63Å; F53-M488 HydrophobicContact CE2-CB 3.99Å; F53-M488 HydrophobicContact CE2-CG 4.47Å; F53-M488 HydrophobicContact CE2-SD 4.08Å; F53-M488 HydrophobicContact CZ-SD 4.08Å; I188-M488 WeakPolarHBondContact O-CE 3.44Å; I189-M488 HydrophobicContact CG1-SD 4.41Å; N190-M488 PolarHBondContact ND2-O 3.47Å; S483-M488 PolarHBondContact O-N 3.26Å; M488-Y490 PolarHBondContact O-N 2.83Å
489V98.8Very high98.5Very high0 Ų010.9 Ų10.90%05%0.051CC..  trans-64121.1169.4157.90000108.2T5 S483 I484 E487 D494 F495 R499 M521T5-V489 PolarHBondContact OG1-N 3.43Å; T5-V489 PolarHBondContact OG1-O 2.77Å; S483-V489 PolarHBondContact O-N 3.01Å; I484-V489 HydrophobicContact CG1-CB 4.45Å; I484-V489 HydrophobicContact CG1-CG1 4.14Å; E487-V489 PolarHBondContact O-N 2.88Å; E487-V489 VanDerWaalsContact O-N 3.14Å; V489-D494 HydrophobicContact CB-CB 4.26Å; V489-D494 HydrophobicContact CG1-CB 4.1Å; V489-D494 HydrophobicContact CG2-CB 3.85Å; V489-F495 HydrophobicContact CG1-CB 4.09Å; V489-R499 HydrophobicContact CG2-CG 3.85Å; V489-M521 HydrophobicContact CG1-CE 3.42Å; V489-M521 VanDerWaalsContact CG1-CE 3.42Å; V489-M521 HydrophobicContact CG1-SD 4.46Å
490Y98.7Very high98.5Very high35 Ų3511 Ų1114%0.1375%0.052CC..  trans-116-31177.7-170.3-86.5000112.2T5 L214 M488 D494 L525 Y527 Q531 Y535T5-Y490 HydrophobicContact CG2-CD2 3.64Å; T5-Y490 HydrophobicContact CG2-CE2 4.33Å; L214-Y490 HydrophobicContact CB-CE1 4.44Å; L214-Y490 HydrophobicContact CD1-CD1 3.47Å; L214-Y490 VanDerWaalsContact CD1-CD1 3.47Å; L214-Y490 HydrophobicContact CD1-CD2 3.74Å; L214-Y490 HydrophobicContact CD1-CE1 3.64Å; L214-Y490 HydrophobicContact CD1-CE2 3.91Å; L214-Y490 HydrophobicContact CD1-CG 3.53Å; L214-Y490 HydrophobicContact CD2-CD1 3.53Å; L214-Y490 HydrophobicContact CD2-CE1 3.67Å; L214-Y490 HydrophobicContact CD2-CG 4.36Å; L214-Y490 HydrophobicContact CG-CD1 4.1Å; L214-Y490 HydrophobicContact CG-CE1 4.1Å; M488-Y490 PolarHBondContact O-N 2.83Å; Y490-D494 PolarHBondContact N-OD2 2.81Å; Y490-L525 HydrophobicContact CD2-CD1 4.47Å; Y490-Y527 HydrophobicContact CE1-CE1 4.19Å; Y490-Y527 PolarHBondContact O-OH 2.82Å; Y490-Q531 PolarHBondContact OH-NE2 2.77Å; Y490-Y535 HydrophobicContact CE1-CE2 4.37Å
491K98.7Very high98.4Very high30 Ų3011.2 Ų11.213%0.136%0.055CC..SBendtrans-115.1153.5177.7-64.4-165.1-178.3-1680112Y191 N493 D494 M521 Y535 E538Y191-K491 HydrophobicContact CE1-CD 4.13Å; Y191-K491 HydrophobicContact CE1-CG 4.49Å; Y191-K491 HydrophobicContact CE2-CG 4.41Å; Y191-K491 WeakPolarHBondContact OH-CD 3.41Å; Y191-K491 WeakPolarHBondContact OH-CG 3.27Å; K491-N493 VanDerWaalsContact C-N 3.27Å; K491-N493 PolarHBondContact O-N 2.68Å; K491-D494 PolarHBondContact N-OD2 2.88Å; K491-D494 WeakPolarHBondContact O-CB 3.39Å; K491-D494 PolarHBondContact O-N 3.13Å; K491-M521 VanDerWaalsContact C-CE 3.48Å; K491-Y535 HydrophobicContact CD-CD1 4Å; K491-Y535 HydrophobicContact CD-CE1 3.78Å; K491-Y535 VanDerWaalsContact CE-CE1 3.48Å; K491-Y535 HydrophobicContact CG-CD1 4.34Å; K491-Y535 HydrophobicContact CG-CE1 4.06Å; K491-Y535 HydrophobicContact CG-CE2 4.41Å; K491-E538 WeakPolarHBondContact CD-OE2 3.45Å; K491-E538 VanDerWaalsContact NZ-CD 3.28Å; K491-E538 IonicContact NZ-OE1 2.59Å; K491-E538 PolarHBondContact NZ-OE1 3.44Å; K491-E538 IonicContact NZ-OE2 2.86Å; K491-E538 PolarHBondContact NZ-OE2 2.79Å
492P98.9Very high98.4Very high1 Ų112.3 Ų12.31%0.0066%0.059CC..Hα-helixtrans-52.7-40.2176.9-27.634.7000114.1D494 F495 L496 I518 M521 V539P492-D494 VanDerWaalsContact C-N 3.25Å; P492-D494 PolarHBondContact O-N 2.85Å; P492-F495 WeakPolarHBondContact O-CB 3.43Å; P492-F495 PolarHBondContact O-N 3.4Å; P492-L496 HydrophobicContact CB-CD1 4.32Å; P492-L496 WeakPolarHBondContact O-CG 3.46Å; P492-L496 PolarHBondContact O-N 3.06Å; P492-I518 HydrophobicContact CB-CG1 4.03Å; P492-I518 HydrophobicContact CG-CG1 3.68Å; P492-M521 VanDerWaalsContact CA-SD 3.54Å; P492-M521 HydrophobicContact CB-SD 4.17Å; P492-M521 HydrophobicContact CG-SD 4.01Å; P492-V539 HydrophobicContact CB-CG2 3.61Å; P492-V539 HydrophobicContact CG-CG2 4.43Å
493N98.5Very high98.4Very high17 Ų1712.3 Ų12.39%0.0916%0.059CC..Hα-helixtrans-67.4-20.3177.6-83.4-24.8000114K491 F495 V497 E538K491-N493 VanDerWaalsContact C-N 3.27Å; K491-N493 PolarHBondContact O-N 2.68Å; N493-F495 VanDerWaalsContact C-N 3.28Å; N493-V497 HydrophobicContact CB-CG2 4.3Å; N493-V497 VanDerWaalsContact O-CB 3.24Å; N493-V497 WeakPolarHBondContact O-CB 3.48Å; N493-V497 WeakPolarHBondContact O-CG2 3.44Å; N493-V497 PolarHBondContact O-N 3.26Å; N493-E538 VanDerWaalsContact ND2-C 3.29Å; N493-E538 PolarHBondContact ND2-O 3.24Å
494D98.8Very high98.3Very high0 Ų013.5 Ų13.50%06%0.064CC..Iπ-helixtrans-64.4-41.5170.6-55.1-22.1000110D52 Y191 V489 Y490 K491 P492 R498 R499D52-D494 WeakPolarHBondContact CB-OD1 3.03Å; D52-D494 VanDerWaalsContact OD2-CB 3.3Å; D52-D494 WeakPolarHBondContact OD2-CB 3.43Å; D52-D494 VanDerWaalsContact OD2-CG 3.31Å; D52-D494 VanDerWaalsContact OD2-OD1 3.09Å; Y191-D494 WeakPolarHBondContact CE2-OD2 3.26Å; Y191-D494 VanDerWaalsContact OH-CG 3.23Å; Y191-D494 PolarHBondContact OH-OD1 3.01Å; Y191-D494 PolarHBondContact OH-OD2 3.48Å; Y191-D494 VanDerWaalsContact OH-OD2 3.13Å; V489-D494 HydrophobicContact CB-CB 4.26Å; V489-D494 HydrophobicContact CG1-CB 4.1Å; V489-D494 HydrophobicContact CG2-CB 3.85Å; Y490-D494 PolarHBondContact N-OD2 2.81Å; K491-D494 PolarHBondContact N-OD2 2.88Å; K491-D494 WeakPolarHBondContact O-CB 3.39Å; K491-D494 PolarHBondContact O-N 3.13Å; P492-D494 VanDerWaalsContact C-N 3.25Å; P492-D494 PolarHBondContact O-N 2.85Å; D494-R498 VanDerWaalsContact CA-NH2 3.34Å; D494-R498 WeakPolarHBondContact O-CB 3.44Å; D494-R498 PolarHBondContact O-N 3.46Å; D494-R498 IonicContact OD1-CZ 2.65Å; D494-R498 IonicContact OD1-NH2 2.7Å; D494-R498 PolarHBondContact OD1-NH2 2.77Å; D494-R499 VanDerWaalsContact O-CD 3.25Å; D494-R499 WeakPolarHBondContact O-CD 3.17Å; D494-R499 PolarHBondContact O-N 2.65Å; D494-R499 VanDerWaalsContact O-N 3.16Å
495F98.9Very high98.3Very high0 Ų013.7 Ų13.70%06%0.064CC..Iπ-helixtrans-76.2-58.9178.6177.2-110.3000112.6I476 E479 L480 V489 P492 N493 V497 R499 S500 V517I476-F495 HydrophobicContact CG2-CE1 3.87Å; I476-F495 HydrophobicContact CG2-CZ 3.93Å; E479-F495 HydrophobicContact CB-CE2 3.78Å; E479-F495 HydrophobicContact CB-CZ 4.13Å; L480-F495 VanDerWaalsContact CA-CE2 3.5Å; L480-F495 HydrophobicContact CB-CD2 4.38Å; L480-F495 HydrophobicContact CB-CE1 4.18Å; L480-F495 HydrophobicContact CB-CE2 3.99Å; L480-F495 HydrophobicContact CB-CZ 3.86Å; L480-F495 HydrophobicContact CD1-CB 4.04Å; L480-F495 HydrophobicContact CD1-CD1 3.81Å; L480-F495 HydrophobicContact CD1-CD2 3.99Å; L480-F495 HydrophobicContact CD1-CE1 4.23Å; L480-F495 HydrophobicContact CD1-CE2 4.42Å; L480-F495 HydrophobicContact CD1-CG 3.66Å; V489-F495 HydrophobicContact CG1-CB 4.09Å; P492-F495 WeakPolarHBondContact O-CB 3.43Å; P492-F495 PolarHBondContact O-N 3.4Å; N493-F495 VanDerWaalsContact C-N 3.28Å; F495-V497 VanDerWaalsContact C-N 3.29Å; F495-V497 PolarHBondContact O-N 3.43Å; F495-R499 HydrophobicContact CD2-CB 4.05Å; F495-R499 PolarHBondContact O-N 3Å; F495-S500 WeakPolarHBondContact O-CB 3.29Å; F495-S500 PolarHBondContact O-N 3.45Å; F495-S500 PolarHBondContact O-OG 2.86Å; F495-V517 HydrophobicContact CD1-CG1 3.91Å; F495-V517 HydrophobicContact CD1-CG2 4.3Å; F495-V517 HydrophobicContact CE1-CG1 4.45Å; F495-V517 HydrophobicContact CE1-CG2 4.05Å
496L98.8Very high98.2Very high4 Ų412.9 Ų12.92%0.0216%0.062CC..Iπ-helixtrans-62.6-34.6-171.6-66.4169.9000112.6P492 S500 K502 M503 V510 V517 V539P492-L496 HydrophobicContact CB-CD1 4.32Å; P492-L496 WeakPolarHBondContact O-CG 3.46Å; P492-L496 PolarHBondContact O-N 3.06Å; L496-S500 WeakPolarHBondContact CA-OG 3.38Å; L496-S500 PolarHBondContact O-OG 2.92Å; L496-K502 PolarHBondContact O-N 3.47Å; L496-M503 HydrophobicContact CB-CE 4.31Å; L496-M503 PolarHBondContact O-N 2.91Å; L496-V510 HydrophobicContact CD1-CG1 4.16Å; L496-V510 HydrophobicContact CD2-CG1 4.3Å; L496-V510 HydrophobicContact CD2-CG2 4.27Å; L496-V517 HydrophobicContact CD2-CG1 4.48Å; L496-V517 HydrophobicContact CD2-CG2 4.29Å; L496-V517 HydrophobicContact CG-CG1 4.48Å; L496-V539 HydrophobicContact CD1-CG1 3.9Å; L496-V539 HydrophobicContact CD1-CG2 3.92Å
497V98.3Very high98.1Very high15 Ų1511.4 Ų11.49%0.0916%0.056CC..Iπ-helixtrans-93-44.4-178.3-171.50000112.1N493 F495 M503 Y504N493-V497 HydrophobicContact CB-CG2 4.3Å; N493-V497 VanDerWaalsContact O-CB 3.24Å; N493-V497 WeakPolarHBondContact O-CB 3.48Å; N493-V497 WeakPolarHBondContact O-CG2 3.44Å; N493-V497 PolarHBondContact O-N 3.26Å; F495-V497 VanDerWaalsContact C-N 3.29Å; F495-V497 PolarHBondContact O-N 3.43Å; V497-M503 HydrophobicContact CB-CB 4.34Å; V497-M503 HydrophobicContact CG2-CB 3.9Å; V497-M503 HydrophobicContact CG2-CE 4.05Å; V497-M503 HydrophobicContact CG2-CG 4.02Å; V497-Y504 HydrophobicContact CG1-CE2 3.62Å; V497-Y504 WeakPolarHBondContact CG1-OH 3.28Å
498R98.1Very high98Very high9 Ų917.3 Ų17.33%0.0348%0.081CC..Iπ-helixtrans-113.4-27.5-163.8-71.1177.4-67.8-731.8115.9D52 F53 A171 D494D52-R498 VanDerWaalsContact CB-NH2 3.35Å; D52-R498 IonicContact OD2-CZ 2.67Å; D52-R498 VanDerWaalsContact OD2-CZ 3.24Å; D52-R498 IonicContact OD2-NE 2.85Å; D52-R498 PolarHBondContact OD2-NE 3.02Å; D52-R498 IonicContact OD2-NH2 3.28Å; D52-R498 PolarHBondContact OD2-NH2 3.21Å; F53-R498 WeakPolarHBondContact O-CD 3.4Å; A171-R498 HydrophobicContact CB-CB 4Å; A171-R498 HydrophobicContact CB-CG 4.2Å; A171-R498 WeakPolarHBondContact CB-O 3.27Å; D494-R498 VanDerWaalsContact CA-NH2 3.34Å; D494-R498 WeakPolarHBondContact O-CB 3.44Å; D494-R498 PolarHBondContact O-N 3.46Å; D494-R498 IonicContact OD1-CZ 2.65Å; D494-R498 IonicContact OD1-NH2 2.7Å; D494-R498 PolarHBondContact OD1-NH2 2.77Å
499R98.4Very high98Very high0 Ų018.8 Ų18.80%09%0.089CC..Iπ-helixtrans-94.4-40.2176.1-81.164.8172.6-177.7-10.6112.1D52 R172 K450 S483 E487 V489 D494 F495D52-R499 VanDerWaalsContact CG-NH1 3.35Å; D52-R499 IonicContact OD1-CZ 2.87Å; D52-R499 IonicContact OD1-NH1 3.05Å; D52-R499 PolarHBondContact OD1-NH1 3.34Å; D52-R499 IonicContact OD1-NH2 2.84Å; D52-R499 PolarHBondContact OD1-NH2 2.89Å; D52-R499 IonicContact OD2-CZ 2.64Å; D52-R499 IonicContact OD2-NH1 3.34Å; D52-R499 PolarHBondContact OD2-NH1 2.8Å; D52-R499 IonicContact OD2-NH2 3.18Å; R172-R499 PolarHBondContact NH2-O 3.03Å; K450-R499 VanDerWaalsContact CE-O 3.26Å; K450-R499 WeakPolarHBondContact CE-O 3.17Å; K450-R499 PolarHBondContact NZ-O 3.46Å; S483-R499 WeakPolarHBondContact OG-CB 3.26Å; S483-R499 VanDerWaalsContact OG-CG 3.24Å; S483-R499 WeakPolarHBondContact OG-CG 3.17Å; E487-R499 HydrophobicContact CB-CG 4.48Å; E487-R499 PolarHBondContact O-NH2 3.09Å; E487-R499 WeakPolarHBondContact OE2-CG 3.49Å; V489-R499 HydrophobicContact CG2-CG 3.85Å; D494-R499 VanDerWaalsContact O-CD 3.25Å; D494-R499 WeakPolarHBondContact O-CD 3.17Å; D494-R499 PolarHBondContact O-N 2.65Å; D494-R499 VanDerWaalsContact O-N 3.16Å; F495-R499 HydrophobicContact CD2-CB 4.05Å; F495-R499 PolarHBondContact O-N 3Å
500S97.9Very high98Very high7 Ų718.9 Ų18.95%0.0499%0.089CC..SBendtrans-87.5-36.9176.771.20000112.5K450 F495 L496 K502K450-S500 PolarHBondContact NZ-O 3.31Å; F495-S500 WeakPolarHBondContact O-CB 3.29Å; F495-S500 PolarHBondContact O-N 3.45Å; F495-S500 PolarHBondContact O-OG 2.86Å; L496-S500 WeakPolarHBondContact CA-OG 3.38Å; L496-S500 PolarHBondContact O-OG 2.92Å; S500-K502 PolarHBondContact O-N 3.37Å; S500-K502 PolarHBondContact OG-N 2.69Å
501G96.8Very high98Very high5 Ų520.6 Ų20.65%0.05210%0.101CC..  trans75.60.9-172.800000114.1M503 Y504 F505G501-M503 VanDerWaalsContact C-N 3.33Å; G501-M503 PolarHBondContact O-N 3.07Å; G501-Y504 PolarHBondContact O-N 3.36Å; G501-F505 PolarHBondContact O-N 2.96Å
502K98Very high97.9Very high29 Ų2923 Ų2313%0.12612%0.115CC..Hα-helixtrans-65.3-32.3-170.8-71.1179179.9-690112.9I476 L496 S500 Y504 F505 N506 I507 D509 V510I476-K502 HydrophobicContact CD1-CD 4.28Å; L496-K502 PolarHBondContact O-N 3.47Å; S500-K502 PolarHBondContact O-N 3.37Å; S500-K502 PolarHBondContact OG-N 2.69Å; K502-Y504 PolarHBondContact O-N 2.79Å; K502-F505 PolarHBondContact O-N 3.28Å; K502-N506 HydrophobicContact CG-CB 4.47Å; K502-N506 CarbonylContact O-C 3.5Å; K502-N506 WeakPolarHBondContact O-CA 3.38Å; K502-N506 PolarHBondContact O-N 2.89Å; K502-I507 PolarHBondContact O-N 3.32Å; K502-I507 VanDerWaalsContact O-N 3.1Å; K502-D509 HydrophobicContact CD-CB 3.99Å; K502-D509 IonicContact NZ-OD2 2.69Å; K502-D509 PolarHBondContact NZ-OD2 3.46Å; K502-V510 HydrophobicContact CB-CG2 3.67Å
503M98Very high97.9Very high2 Ų225.9 Ų25.91%0.0113%0.126CC..Hα-helixtrans-51.4-33.8176.6-170.366.672.900112.9L496 V497 G501 V510 A542 I543 A546L496-M503 HydrophobicContact CB-CE 4.31Å; L496-M503 PolarHBondContact O-N 2.91Å; V497-M503 HydrophobicContact CB-CB 4.34Å; V497-M503 HydrophobicContact CG2-CB 3.9Å; V497-M503 HydrophobicContact CG2-CE 4.05Å; V497-M503 HydrophobicContact CG2-CG 4.02Å; G501-M503 VanDerWaalsContact C-N 3.33Å; G501-M503 PolarHBondContact O-N 3.07Å; M503-V510 HydrophobicContact CE-CG1 3.99Å; M503-V510 HydrophobicContact SD-CG1 4.25Å; M503-A542 HydrophobicContact CE-CB 3.77Å; M503-A542 HydrophobicContact SD-CB 4.48Å; M503-I543 HydrophobicContact CE-CG1 4.03Å; M503-I543 HydrophobicContact SD-CB 4.48Å; M503-I543 HydrophobicContact SD-CG1 3.8Å; M503-A546 HydrophobicContact CG-CB 4.28Å; M503-A546 HydrophobicContact SD-CB 4.47Å
504Y97.2Very high97.9Very high25 Ų2526.2 Ų26.210%0.09813%0.127CC..Hα-helixtrans-99.7-44.2179.5-54-48.3000113.2S336 T337 W338 V497 G501 K502S336-Y504 VanDerWaalsContact OG-CA 3.29Å; S336-Y504 WeakPolarHBondContact OG-CA 3.21Å; S336-Y504 PolarHBondContact OG-O 2.6Å; T337-Y504 WeakPolarHBondContact O-CE1 3.33Å; W338-Y504 HydrophobicContact CB-CD1 4.22Å; W338-Y504 HydrophobicContact CB-CE1 3.68Å; W338-Y504 HydrophobicContact CB-CE2 4.22Å; W338-Y504 HydrophobicContact CE3-CD1 4.21Å; W338-Y504 HydrophobicContact CE3-CD2 4.3Å; W338-Y504 AromaticContact CE3-CG 3.96Å; W338-Y504 HydrophobicContact CE3-CG 3.96Å; V497-Y504 HydrophobicContact CG1-CE2 3.62Å; V497-Y504 WeakPolarHBondContact CG1-OH 3.28Å; G501-Y504 PolarHBondContact O-N 3.36Å; K502-Y504 PolarHBondContact O-N 2.79Å
505F97.3Very high97.9Very high3 Ų330.8 Ų30.81%0.01315%0.151CC..Hα-helixtrans-99.7-12.3-169.6-63.3-73.1000114.4K63 V258 R286 K289 Y291 W338 G501 K502K63-F505 HydrophobicContact CG-CZ 4.48Å; V258-F505 HydrophobicContact CG1-CD1 4.41Å; V258-F505 HydrophobicContact CG2-CE1 4.43Å; R286-F505 HydrophobicContact CB-CE1 4.4Å; R286-F505 HydrophobicContact CG-CD1 4.36Å; R286-F505 HydrophobicContact CG-CE1 4.41Å; K289-F505 WeakPolarHBondContact CE-O 3.38Å; K289-F505 WeakPolarHBondContact CG-O 3.3Å; Y291-F505 AromaticContact CD1-CE1 3.71Å; Y291-F505 HydrophobicContact CD1-CE1 3.71Å; Y291-F505 HydrophobicContact CD1-CZ 4.22Å; Y291-F505 HydrophobicContact CE1-CE1 4.35Å; Y291-F505 HydrophobicContact CG-CE1 4.11Å; Y291-F505 HydrophobicContact CG-CZ 4.5Å; W338-F505 AromaticContact CH2-CZ 3.95Å; W338-F505 HydrophobicContact CH2-CZ 3.95Å; W338-F505 HydrophobicContact CZ3-CE1 4.45Å; W338-F505 AromaticContact CZ3-CZ 4Å; W338-F505 HydrophobicContact CZ3-CZ 4Å; G501-F505 PolarHBondContact O-N 2.96Å; K502-F505 PolarHBondContact O-N 3.28Å
506N97Very high97.9Very high48 Ų4831.2 Ų31.226%0.25716%0.155SC..  trans-153.768173.4-169.2-13.2000110.5K502 K508 D509 V510K502-N506 HydrophobicContact CG-CB 4.47Å; K502-N506 CarbonylContact O-C 3.5Å; K502-N506 WeakPolarHBondContact O-CA 3.38Å; K502-N506 PolarHBondContact O-N 2.89Å; N506-K508 PolarHBondContact O-N 3.06Å; N506-D509 HydrophobicContact CB-CB 4.45Å; N506-D509 PolarHBondContact ND2-OD1 3.43Å; N506-D509 VanDerWaalsContact ND2-OD1 3.1Å; N506-D509 PolarHBondContact ND2-OD2 2.87Å; N506-D509 PolarHBondContact O-N 3.4Å; N506-D509 PolarHBondContact OD1-N 3.33Å; N506-D509 VanDerWaalsContact OD1-N 3.11Å; N506-D509 PolarHBondContact OD1-OD1 2.98Å; N506-V510 PolarHBondContact O-N 2.76Å
507I96.6Very high97.9Very high10 Ų1031.1 Ų31.15%0.05115%0.154CC..Hα-helixtrans-66.2-22.4-177-161.8163.2000112.2E335 K502 V510 L511 I543 A546 Q547E335-I507 HydrophobicContact CB-CG2 4.42Å; K502-I507 PolarHBondContact O-N 3.32Å; K502-I507 VanDerWaalsContact O-N 3.1Å; I507-V510 WeakPolarHBondContact O-CB 3.4Å; I507-V510 PolarHBondContact O-N 3.26Å; I507-V510 VanDerWaalsContact O-N 3.15Å; I507-L511 WeakPolarHBondContact O-CG 3.36Å; I507-L511 PolarHBondContact O-N 2.83Å; I507-I543 HydrophobicContact CD1-CG2 4.37Å; I507-A546 HydrophobicContact CD1-CB 4.08Å; I507-Q547 HydrophobicContact CD1-CG 3.48Å; I507-Q547 VanDerWaalsContact CD1-CG 3.48Å
508K96.3Very high97.9Very high123 Ų12330.5 Ų30.554%0.53515%0.151SC..Hα-helixtrans-61.3-47.5172.9-165.7-158.8179.9-50.20111.2N506 V510 L511 D512N506-K508 PolarHBondContact O-N 3.06Å; K508-V510 PolarHBondContact O-N 2.71Å; K508-L511 WeakPolarHBondContact O-CB 3.34Å; K508-L511 PolarHBondContact O-N 2.66Å; K508-L511 VanDerWaalsContact O-N 3.11Å; K508-D512 IonicContact NZ-OD1 2.99Å; K508-D512 PolarHBondContact NZ-OD1 3.19Å; K508-D512 IonicContact NZ-OD2 3.23Å; K508-D512 PolarHBondContact NZ-OD2 3.21Å; K508-D512 VanDerWaalsContact O-CG 3.28Å; K508-D512 PolarHBondContact O-N 3.14Å
509D97.5Very high97.9Very high32 Ų3234.1 Ų34.117%0.17117%0.171CC..Hα-helixtrans-58.7-36.3174.2-78.49.4000111.3K502 N506 D512 Y513K502-D509 HydrophobicContact CD-CB 3.99Å; K502-D509 IonicContact NZ-OD2 2.69Å; K502-D509 PolarHBondContact NZ-OD2 3.46Å; N506-D509 HydrophobicContact CB-CB 4.45Å; N506-D509 PolarHBondContact ND2-OD1 3.43Å; N506-D509 VanDerWaalsContact ND2-OD1 3.1Å; N506-D509 PolarHBondContact ND2-OD2 2.87Å; N506-D509 PolarHBondContact O-N 3.4Å; N506-D509 PolarHBondContact OD1-N 3.33Å; N506-D509 VanDerWaalsContact OD1-N 3.11Å; N506-D509 PolarHBondContact OD1-OD1 2.98Å; D509-D512 PolarHBondContact O-N 2.82Å; D509-Y513 HydrophobicContact CB-CD2 4.03Å; D509-Y513 HydrophobicContact CB-CE2 4.31Å; D509-Y513 VanDerWaalsContact O-CB 3.29Å; D509-Y513 WeakPolarHBondContact O-CB 3.45Å; D509-Y513 WeakPolarHBondContact O-CD2 3.47Å; D509-Y513 PolarHBondContact O-N 3.15Å
510V98.6Very high97.8Very high1 Ų135.1 Ų35.11%0.00618%0.176CC..Hα-helixtrans-63.6-45.9176.2-179.10000110.7L496 K502 M503 N506 I507 K508 D512 Y513 K514 I543L496-V510 HydrophobicContact CD1-CG1 4.16Å; L496-V510 HydrophobicContact CD2-CG1 4.3Å; L496-V510 HydrophobicContact CD2-CG2 4.27Å; K502-V510 HydrophobicContact CB-CG2 3.67Å; M503-V510 HydrophobicContact CE-CG1 3.99Å; M503-V510 HydrophobicContact SD-CG1 4.25Å; N506-V510 PolarHBondContact O-N 2.76Å; I507-V510 WeakPolarHBondContact O-CB 3.4Å; I507-V510 PolarHBondContact O-N 3.26Å; I507-V510 VanDerWaalsContact O-N 3.15Å; K508-V510 PolarHBondContact O-N 2.71Å; V510-D512 VanDerWaalsContact C-N 3.34Å; V510-D512 PolarHBondContact O-N 2.84Å; V510-Y513 PolarHBondContact O-N 2.98Å; V510-K514 WeakPolarHBondContact O-CB 3.22Å; V510-K514 WeakPolarHBondContact O-CG 3.24Å; V510-K514 PolarHBondContact O-N 2.79Å; V510-I543 HydrophobicContact CG1-CD1 3.95Å; V510-I543 HydrophobicContact CG1-CG1 4.01Å
511L98.4Very high97.9Very high72 Ų7234.8 Ų34.838%0.37717%0.173SC..Hα-helixtrans-61.9-41.2177.3-69.8167.6000112.3I507 K508 I543I507-L511 WeakPolarHBondContact O-CG 3.36Å; I507-L511 PolarHBondContact O-N 2.83Å; K508-L511 WeakPolarHBondContact O-CB 3.34Å; K508-L511 PolarHBondContact O-N 2.66Å; K508-L511 VanDerWaalsContact O-N 3.11Å; L511-I543 HydrophobicContact CD2-CD1 4.2Å; L511-I543 HydrophobicContact CD2-CG2 3.99Å
512D98.4Very high97.9Very high81 Ų8135.1 Ų35.143%0.43318%0.176SC..Hα-helixtrans-72.4-32.7-177.9-66.5-13.3000112.5K508 D509 V510K508-D512 IonicContact NZ-OD1 2.99Å; K508-D512 PolarHBondContact NZ-OD1 3.19Å; K508-D512 IonicContact NZ-OD2 3.23Å; K508-D512 PolarHBondContact NZ-OD2 3.21Å; K508-D512 VanDerWaalsContact O-CG 3.28Å; K508-D512 PolarHBondContact O-N 3.14Å; D509-D512 PolarHBondContact O-N 2.82Å; V510-D512 VanDerWaalsContact C-N 3.34Å; V510-D512 PolarHBondContact O-N 2.84Å
513Y98.4Very high97.9Very high60 Ų6040.2 Ų40.224%0.23520%0.204CC..Hα-helixtrans-122.4-2.8-165.2-58.5-56.7000115.9L472 P473 I476 D509 V510 D515 A516 V517L472-Y513 HydrophobicContact CD2-CD1 3.99Å; L472-Y513 HydrophobicContact CD2-CG 3.99Å; P473-Y513 HydrophobicContact CG-CE1 3.93Å; P473-Y513 HydrophobicContact CG-CE2 3.82Å; P473-Y513 VanDerWaalsContact CG-CZ 3.48Å; P473-Y513 WeakPolarHBondContact CG-OH 3.19Å; I476-Y513 HydrophobicContact CD1-CD2 3.48Å; I476-Y513 VanDerWaalsContact CD1-CD2 3.48Å; I476-Y513 HydrophobicContact CD1-CE2 3.9Å; I476-Y513 HydrophobicContact CD1-CG 4.19Å; D509-Y513 HydrophobicContact CB-CD2 4.03Å; D509-Y513 HydrophobicContact CB-CE2 4.31Å; D509-Y513 VanDerWaalsContact O-CB 3.29Å; D509-Y513 WeakPolarHBondContact O-CB 3.45Å; D509-Y513 WeakPolarHBondContact O-CD2 3.47Å; D509-Y513 PolarHBondContact O-N 3.15Å; V510-Y513 PolarHBondContact O-N 2.98Å; Y513-D515 VanDerWaalsContact C-N 3.31Å; Y513-D515 PolarHBondContact O-N 2.93Å; Y513-A516 PolarHBondContact O-N 2.8Å; Y513-V517 WeakPolarHBondContact O-CG2 3.3Å; Y513-V517 PolarHBondContact O-N 3.15Å
514K98.5Very high97.8Very high25 Ų2542.1 Ų42.111%0.10921%0.214CC..Hα-helixtrans-54-42.7-178.459.4-173.9-178.3-174.10113.6V510 V517 I518 V539 E540 I543V510-K514 WeakPolarHBondContact O-CB 3.22Å; V510-K514 WeakPolarHBondContact O-CG 3.24Å; V510-K514 PolarHBondContact O-N 2.79Å; K514-V517 WeakPolarHBondContact O-CB 3.42Å; K514-V517 PolarHBondContact O-N 3.1Å; K514-I518 WeakPolarHBondContact O-CD1 3.36Å; K514-I518 VanDerWaalsContact O-CG1 3.26Å; K514-I518 WeakPolarHBondContact O-CG1 3.29Å; K514-I518 PolarHBondContact O-N 3.39Å; K514-V539 HydrophobicContact CB-CG1 3.97Å; K514-V539 HydrophobicContact CD-CG1 4.13Å; K514-E540 WeakPolarHBondContact CE-OE1 3.44Å; K514-E540 IonicContact NZ-OE1 3.92Å; K514-E540 PolarHBondContact NZ-OE1 3Å; K514-E540 IonicContact NZ-OE2 3.42Å; K514-E540 PolarHBondContact NZ-OE2 2.93Å; K514-I543 HydrophobicContact CD-CD1 3.75Å
515D98.4Very high97.9Very high95 Ų9541.8 Ų41.851%0.50821%0.214SC..Hα-helixtrans-66-44.8-177-62.3-19.4000110.3Y513 V517 I518 D519Y513-D515 VanDerWaalsContact C-N 3.31Å; Y513-D515 PolarHBondContact O-N 2.93Å; D515-V517 VanDerWaalsContact C-N 3.34Å; D515-V517 PolarHBondContact O-N 3.18Å; D515-I518 PolarHBondContact O-N 2.82Å; D515-D519 WeakPolarHBondContact O-CB 3.3Å; D515-D519 VanDerWaalsContact O-CG 3.28Å; D515-D519 PolarHBondContact O-N 3.23Å
516A98.3Very high97.9Very high10 Ų1048.6 Ų48.68%0.08325%0.25CS..Hα-helixtrans-64.2-37.617600000112.4K471 L472 Y513 I520K471-A516 HydrophobicContact CB-CB 4.19Å; L472-A516 HydrophobicContact CD2-CB 3.57Å; L472-A516 HydrophobicContact CG-CB 3.94Å; Y513-A516 PolarHBondContact O-N 2.8Å; A516-I520 VanDerWaalsContact O-CD1 3.25Å; A516-I520 WeakPolarHBondContact O-CD1 3.45Å; A516-I520 VanDerWaalsContact O-CG1 3.22Å; A516-I520 WeakPolarHBondContact O-CG1 3.43Å; A516-I520 PolarHBondContact O-N 3.38Å; A516-I520 VanDerWaalsContact O-N 3.08Å
517V98.7Very high97.9Very high1 Ų147.1 Ų47.11%0.00624%0.241CC..Hα-helixtrans-61.1-46.8172.1167.60000110.7L472 I476 L480 F495 L496 Y513 K514 D515 M521L472-V517 HydrophobicContact CD1-CG2 4.14Å; L472-V517 HydrophobicContact CD2-CG2 4.15Å; I476-V517 HydrophobicContact CG2-CG2 4.35Å; L480-V517 HydrophobicContact CD1-CG1 4.13Å; L480-V517 HydrophobicContact CD2-CB 4.38Å; L480-V517 HydrophobicContact CD2-CG1 4.11Å; L480-V517 HydrophobicContact CD2-CG2 4.36Å; F495-V517 HydrophobicContact CD1-CG1 3.91Å; F495-V517 HydrophobicContact CD1-CG2 4.3Å; F495-V517 HydrophobicContact CE1-CG1 4.45Å; F495-V517 HydrophobicContact CE1-CG2 4.05Å; L496-V517 HydrophobicContact CD2-CG1 4.48Å; L496-V517 HydrophobicContact CD2-CG2 4.29Å; L496-V517 HydrophobicContact CG-CG1 4.48Å; Y513-V517 WeakPolarHBondContact O-CG2 3.3Å; Y513-V517 PolarHBondContact O-N 3.15Å; K514-V517 WeakPolarHBondContact O-CB 3.42Å; K514-V517 PolarHBondContact O-N 3.1Å; D515-V517 VanDerWaalsContact C-N 3.34Å; D515-V517 PolarHBondContact O-N 3.18Å; V517-M521 HydrophobicContact CG1-SD 4.05Å; V517-M521 WeakPolarHBondContact O-CB 3.41Å; V517-M521 VanDerWaalsContact O-CG 3.23Å; V517-M521 WeakPolarHBondContact O-CG 3.37Å; V517-M521 PolarHBondContact O-N 2.83Å
518I98.8Very high98Very high3 Ų349 Ų492%0.01526%0.255CS..Hα-helixtrans-63.6-45.5179.7-67.6161.1000110.6P492 K514 D515 I520 M521 A522 I532 T536 V539P492-I518 HydrophobicContact CB-CG1 4.03Å; P492-I518 HydrophobicContact CG-CG1 3.68Å; K514-I518 WeakPolarHBondContact O-CD1 3.36Å; K514-I518 VanDerWaalsContact O-CG1 3.26Å; K514-I518 WeakPolarHBondContact O-CG1 3.29Å; K514-I518 PolarHBondContact O-N 3.39Å; D515-I518 PolarHBondContact O-N 2.82Å; I518-I520 PolarHBondContact O-N 2.93Å; I518-M521 PolarHBondContact O-N 3.27Å; I518-A522 VanDerWaalsContact O-CB 3.26Å; I518-A522 WeakPolarHBondContact O-CB 3.25Å; I518-A522 PolarHBondContact O-N 3.2Å; I518-I532 HydrophobicContact CG2-CG2 4.05Å; I518-T536 HydrophobicContact CD1-CG2 4.36Å; I518-V539 HydrophobicContact CD1-CG2 4.43Å
519D97.9Very high98.1Very high85 Ų8548.3 Ų48.346%0.45526%0.264SS..Hα-helixtrans-57.9-47.4179-74.5-15.2000111.6D515 A522 D523D515-D519 WeakPolarHBondContact O-CB 3.3Å; D515-D519 VanDerWaalsContact O-CG 3.28Å; D515-D519 PolarHBondContact O-N 3.23Å; D519-A522 WeakPolarHBondContact O-CB 3.45Å; D519-A522 PolarHBondContact O-N 2.97Å; D519-D523 PolarHBondContact O-N 3.5Å
520I97.6Very high98.1Very high20 Ų2050 Ų5010%0.10328%0.281CS..Hα-helixtrans-66.5-42.1179.1-66.2159.7000111L472 Y477 L480 A516 I518 A522 D523 M524L472-I520 HydrophobicContact CD1-CD1 3.33Å; L472-I520 HydrophobicContact CG-CD1 3.83Å; Y477-I520 HydrophobicContact CD2-CD1 3.96Å; Y477-I520 HydrophobicContact CE2-CD1 4.26Å; L480-I520 HydrophobicContact CD2-CB 3.96Å; L480-I520 HydrophobicContact CD2-CD1 4.26Å; L480-I520 HydrophobicContact CD2-CG2 3.8Å; A516-I520 VanDerWaalsContact O-CD1 3.25Å; A516-I520 WeakPolarHBondContact O-CD1 3.45Å; A516-I520 VanDerWaalsContact O-CG1 3.22Å; A516-I520 WeakPolarHBondContact O-CG1 3.43Å; A516-I520 PolarHBondContact O-N 3.38Å; A516-I520 VanDerWaalsContact O-N 3.08Å; I518-I520 PolarHBondContact O-N 2.93Å; I520-A522 VanDerWaalsContact C-N 3.3Å; I520-A522 PolarHBondContact O-N 3.22Å; I520-D523 PolarHBondContact O-N 2.9Å; I520-M524 HydrophobicContact CG2-CG 4.34Å; I520-M524 HydrophobicContact CG2-SD 3.86Å; I520-M524 WeakPolarHBondContact O-CB 3.42Å; I520-M524 VanDerWaalsContact O-CG 3.3Å; I520-M524 WeakPolarHBondContact O-CG 3.3Å; I520-M524 PolarHBondContact O-N 2.68Å
521M98.5Very high98.1Very high0 Ų051.9 Ų51.90%029%0.29CS..Hα-helixtrans-64-38.5175.8-70.4-172.878.100111.6L480 I484 V489 K491 P492 V517 I518 M524 L525 Y527L480-M521 HydrophobicContact CD1-CG 3.77Å; L480-M521 HydrophobicContact CD1-SD 3.84Å; L480-M521 HydrophobicContact CD2-CG 4.27Å; L480-M521 HydrophobicContact CG-CG 4.41Å; I484-M521 HydrophobicContact CD1-CG 4.08Å; V489-M521 HydrophobicContact CG1-CE 3.42Å; V489-M521 VanDerWaalsContact CG1-CE 3.42Å; V489-M521 HydrophobicContact CG1-SD 4.46Å; K491-M521 VanDerWaalsContact C-CE 3.48Å; P492-M521 VanDerWaalsContact CA-SD 3.54Å; P492-M521 HydrophobicContact CB-SD 4.17Å; P492-M521 HydrophobicContact CG-SD 4.01Å; V517-M521 HydrophobicContact CG1-SD 4.05Å; V517-M521 WeakPolarHBondContact O-CB 3.41Å; V517-M521 VanDerWaalsContact O-CG 3.23Å; V517-M521 WeakPolarHBondContact O-CG 3.37Å; V517-M521 PolarHBondContact O-N 2.83Å; I518-M521 PolarHBondContact O-N 3.27Å; M521-M524 PolarHBondContact O-N 2.85Å; M521-L525 HydrophobicContact CE-CD1 4.14Å; M521-L525 WeakPolarHBondContact O-CB 3.4Å; M521-L525 WeakPolarHBondContact O-CG 3.04Å; M521-L525 PolarHBondContact O-N 3.35Å; M521-Y527 HydrophobicContact CB-CE2 3.83Å; M521-Y527 WeakPolarHBondContact CE-OH 3.48Å
522A98.5Very high98.2Very high13 Ų1351.1 Ų51.111%0.10729%0.286CS..Hα-helixtrans-63.9-44.117800000112I518 D519 I520 D526 Y527 I532I518-A522 VanDerWaalsContact O-CB 3.26Å; I518-A522 WeakPolarHBondContact O-CB 3.25Å; I518-A522 PolarHBondContact O-N 3.2Å; D519-A522 WeakPolarHBondContact O-CB 3.45Å; D519-A522 PolarHBondContact O-N 2.97Å; I520-A522 VanDerWaalsContact C-N 3.3Å; I520-A522 PolarHBondContact O-N 3.22Å; A522-D526 WeakPolarHBondContact O-CA 3.34Å; A522-D526 PolarHBondContact O-N 2.67Å; A522-Y527 VanDerWaalsContact CA-CD2 3.44Å; A522-Y527 HydrophobicContact CB-CD2 3.68Å; A522-Y527 HydrophobicContact CB-CG 4.1Å; A522-Y527 PolarHBondContact O-N 3.37Å; A522-I532 HydrophobicContact CB-CD1 3.87Å; A522-I532 HydrophobicContact CB-CG1 3.91Å
523D96.7Very high98.2Very high135 Ų13553.2 Ų53.272%0.72229%0.293SS*.Hα-helixtrans-65.1-47.4175.7-176.666.9000111.6D519 I520 L525D519-D523 PolarHBondContact O-N 3.5Å; I520-D523 PolarHBondContact O-N 2.9Å; D523-L525 PolarHBondContact O-N 3.46Å
524M96.5Very high98.2Very high42 Ų4252.1 Ų52.121%0.20730%0.297CS..Hα-helixtrans-71.8-29.3-177.2-71.1-176.169.100114.1F6 V481 I484 I520 M521F6-M524 WeakPolarHBondContact CE1-O 3.4Å; F6-M524 HydrophobicContact CE2-CE 4.37Å; F6-M524 HydrophobicContact CZ-CE 4.02Å; V481-M524 HydrophobicContact CG1-CE 4.22Å; V481-M524 HydrophobicContact CG2-CE 4.43Å; V481-M524 HydrophobicContact CG2-SD 4.04Å; I484-M524 HydrophobicContact CD1-CE 4.16Å; I484-M524 HydrophobicContact CD1-SD 3.83Å; I484-M524 HydrophobicContact CG2-CE 4.22Å; I520-M524 HydrophobicContact CG2-CG 4.34Å; I520-M524 HydrophobicContact CG2-SD 3.86Å; I520-M524 WeakPolarHBondContact O-CB 3.42Å; I520-M524 VanDerWaalsContact O-CG 3.3Å; I520-M524 WeakPolarHBondContact O-CG 3.3Å; I520-M524 PolarHBondContact O-N 2.68Å; M521-M524 PolarHBondContact O-N 2.85Å
525L98.1Very high98.2Very high19 Ų1951.6 Ų51.610%0.09929%0.294CS..Hα-helixtrans-113.910-172-57.8-179.6000113.6T5 F6 I484 Y490 M521 D523 Y527T5-L525 HydrophobicContact CG2-CD1 4.28Å; T5-L525 HydrophobicContact CG2-CD2 3.56Å; F6-L525 HydrophobicContact CD1-CD2 4.5Å; F6-L525 HydrophobicContact CE1-CD2 3.83Å; F6-L525 HydrophobicContact CZ-CD2 4.21Å; I484-L525 HydrophobicContact CG2-CD2 3.79Å; I484-L525 HydrophobicContact CG2-CG 4.45Å; Y490-L525 HydrophobicContact CD2-CD1 4.47Å; M521-L525 HydrophobicContact CE-CD1 4.14Å; M521-L525 WeakPolarHBondContact O-CB 3.4Å; M521-L525 WeakPolarHBondContact O-CG 3.04Å; M521-L525 PolarHBondContact O-N 3.35Å; D523-L525 PolarHBondContact O-N 3.46Å; L525-Y527 HydrophobicContact CB-CD1 3.95Å; L525-Y527 HydrophobicContact CB-CE1 3.68Å; L525-Y527 HydrophobicContact CD1-CE1 3.91Å; L525-Y527 HydrophobicContact CG-CE1 4.43Å; L525-Y527 PolarHBondContact O-N 3.08Å
526D97.7Very high98.2Very high146 Ų14649 Ų4978%0.78128%0.281SS*.THydrogen-bonded Turntrans52.648.5179.7-60.2-59.5000112.8A522 S528A522-D526 WeakPolarHBondContact O-CA 3.34Å; A522-D526 PolarHBondContact O-N 2.67Å; D526-S528 PolarHBondContact O-N 3.32Å
527Y98.4Very high98.2Very high17 Ų1754.3 Ų54.37%0.06731%0.305CS..  trans-64.1133.2177.9-70.2-10.8000111.4Y490 M521 A522 L525 Q531 I532 Y535Y490-Y527 HydrophobicContact CE1-CE1 4.19Å; Y490-Y527 PolarHBondContact O-OH 2.82Å; M521-Y527 HydrophobicContact CB-CE2 3.83Å; M521-Y527 WeakPolarHBondContact CE-OH 3.48Å; A522-Y527 VanDerWaalsContact CA-CD2 3.44Å; A522-Y527 HydrophobicContact CB-CD2 3.68Å; A522-Y527 HydrophobicContact CB-CG 4.1Å; A522-Y527 PolarHBondContact O-N 3.37Å; L525-Y527 HydrophobicContact CB-CD1 3.95Å; L525-Y527 HydrophobicContact CB-CE1 3.68Å; L525-Y527 HydrophobicContact CD1-CE1 3.91Å; L525-Y527 HydrophobicContact CG-CE1 4.43Å; L525-Y527 PolarHBondContact O-N 3.08Å; Y527-Q531 HydrophobicContact CG-CB 4.3Å; Y527-I532 HydrophobicContact CD2-CG1 4.29Å; Y527-Y535 HydrophobicContact CD1-CE2 4.1Å; Y527-Y535 AromaticContact CD2-CD2 3.9Å; Y527-Y535 HydrophobicContact CD2-CD2 3.9Å; Y527-Y535 HydrophobicContact CD2-CE2 4.2Å; Y527-Y535 HydrophobicContact CE1-CD2 4.21Å; Y527-Y535 AromaticContact CE1-CE2 3.71Å; Y527-Y535 HydrophobicContact CE1-CE2 3.71Å; Y527-Y535 AromaticContact CE2-CD2 3.5Å; Y527-Y535 HydrophobicContact CE2-CD2 3.5Å; Y527-Y535 VanDerWaalsContact CE2-CD2 3.5Å; Y527-Y535 AromaticContact CE2-CE2 3.89Å; Y527-Y535 HydrophobicContact CE2-CE2 3.89Å; Y527-Y535 HydrophobicContact CG-CD2 4.45Å; Y527-Y535 HydrophobicContact CG-CE2 4.32Å; Y527-Y535 AromaticContact CZ-CD2 3.64Å; Y527-Y535 AromaticContact CZ-CE2 3.6Å
528S98.1Very high98.2Very high49 Ų4957.5 Ų57.534%0.34332%0.32SS..  trans-67157.2166.363.80000111.5D526 A530 Q531 I532D526-S528 PolarHBondContact O-N 3.32Å; S528-A530 PolarHBondContact O-N 2.59Å; S528-A530 VanDerWaalsContact O-N 3.16Å; S528-Q531 WeakPolarHBondContact O-CA 3.24Å; S528-Q531 WeakPolarHBondContact O-CB 3.44Å; S528-Q531 PolarHBondContact O-N 3.42Å; S528-Q531 WeakPolarHBondContact OG-CG 3.46Å; S528-Q531 PolarHBondContact OG-N 2.93Å; S528-Q531 PolarHBondContact OG-OE1 3.46Å; S528-I532 PolarHBondContact O-N 3.27Å
529P98.4Very high98.2Very high109 Ų10957.4 Ų57.471%0.70832%0.319SS*.Hα-helixtrans-52.9-37.8174.8-28.835.9000113.7Q531 I532 E533P529-Q531 PolarHBondContact O-N 3.43Å; P529-I532 PolarHBondContact O-N 2.68Å; P529-E533 PolarHBondContact O-N 3.45Å
530A98.3Very high98.2Very high66 Ų6656.9 Ų56.955%0.54531%0.314SS..Hα-helixtrans-67.4-33.3176.700000112.9S528 A534S528-A530 PolarHBondContact O-N 2.59Å; S528-A530 VanDerWaalsContact O-N 3.16Å; A530-A534 VanDerWaalsContact O-CB 3.29Å; A530-A534 WeakPolarHBondContact O-CB 3.28Å; A530-A534 PolarHBondContact O-N 3.45Å
531Q98.4Very high98.2Very high41 Ų4160.1 Ų60.119%0.19233%0.328CS..Hα-helixtrans-70.9-40.4173.6-76.5169-68.500111.5Y490 Y527 S528 P529 E533 A534 Y535Y490-Q531 PolarHBondContact OH-NE2 2.77Å; Y527-Q531 HydrophobicContact CG-CB 4.3Å; S528-Q531 WeakPolarHBondContact O-CA 3.24Å; S528-Q531 WeakPolarHBondContact O-CB 3.44Å; S528-Q531 PolarHBondContact O-N 3.42Å; S528-Q531 WeakPolarHBondContact OG-CG 3.46Å; S528-Q531 PolarHBondContact OG-N 2.93Å; S528-Q531 PolarHBondContact OG-OE1 3.46Å; P529-Q531 PolarHBondContact O-N 3.43Å; Q531-E533 VanDerWaalsContact C-N 3.34Å; Q531-E533 PolarHBondContact O-N 3.01Å; Q531-A534 PolarHBondContact O-N 3.47Å; Q531-Y535 HydrophobicContact CB-CD2 4.23Å; Q531-Y535 HydrophobicContact CB-CE2 3.82Å; Q531-Y535 HydrophobicContact CG-CE2 4.21Å; Q531-Y535 PolarHBondContact NE2-OH 2.91Å; Q531-Y535 VanDerWaalsContact O-CB 3.24Å; Q531-Y535 WeakPolarHBondContact O-CB 3.22Å; Q531-Y535 VanDerWaalsContact O-CD2 3.29Å; Q531-Y535 WeakPolarHBondContact O-CD2 3.32Å; Q531-Y535 PolarHBondContact O-N 2.93Å
532I98.8Very high98.1Very high56 Ų5660.9 Ų60.929%0.28734%0.335SS..Hα-helixtrans-58.5-49.4175.8-63.1171.2000109.7I518 A522 Y527 S528 P529 Y535 T536I518-I532 HydrophobicContact CG2-CG2 4.05Å; A522-I532 HydrophobicContact CB-CD1 3.87Å; A522-I532 HydrophobicContact CB-CG1 3.91Å; Y527-I532 HydrophobicContact CD2-CG1 4.29Å; S528-I532 PolarHBondContact O-N 3.27Å; P529-I532 PolarHBondContact O-N 2.68Å; I532-Y535 PolarHBondContact O-N 2.95Å; I532-T536 VanDerWaalsContact O-CB 3.32Å; I532-T536 WeakPolarHBondContact O-CB 3.49Å; I532-T536 PolarHBondContact O-N 2.89Å; I532-T536 PolarHBondContact O-OG1 3.13Å
533E98.7Very high98.1Very high126 Ų12660.5 Ų60.559%0.58933%0.331SS*.Hα-helixtrans-58.1-55176.6-176.3175.9-161.200111.4P529 Q531 Y535 T536 E537P529-E533 PolarHBondContact O-N 3.45Å; Q531-E533 VanDerWaalsContact C-N 3.34Å; Q531-E533 PolarHBondContact O-N 3.01Å; E533-Y535 VanDerWaalsContact C-N 3.34Å; E533-Y535 PolarHBondContact O-N 3.22Å; E533-T536 WeakPolarHBondContact O-CB 3.26Å; E533-T536 PolarHBondContact O-N 3.4Å; E533-E537 WeakPolarHBondContact O-CG 3.09Å; E533-E537 PolarHBondContact O-N 2.92Å
534A98.6Very high98Very high37 Ų3760 Ų6031%0.30632%0.322SS..Hα-helixtrans-60.5-40.6-178.500000113A530 Q531 E537 E538A530-A534 VanDerWaalsContact O-CB 3.29Å; A530-A534 WeakPolarHBondContact O-CB 3.28Å; A530-A534 PolarHBondContact O-N 3.45Å; Q531-A534 PolarHBondContact O-N 3.47Å; A534-E537 PolarHBondContact O-N 3.04Å; A534-E538 WeakPolarHBondContact O-CG 3.43Å; A534-E538 PolarHBondContact O-N 2.87Å
535Y98.7Very high97.9Very high14 Ų1460 Ų606%0.05532%0.322CS..Hα-helixtrans-75.5-29.5-179.9-61.8-17000112.4Y490 K491 Y527 Q531 I532 E533 E538 V539Y490-Y535 HydrophobicContact CE1-CE2 4.37Å; K491-Y535 HydrophobicContact CD-CD1 4Å; K491-Y535 HydrophobicContact CD-CE1 3.78Å; K491-Y535 VanDerWaalsContact CE-CE1 3.48Å; K491-Y535 HydrophobicContact CG-CD1 4.34Å; K491-Y535 HydrophobicContact CG-CE1 4.06Å; K491-Y535 HydrophobicContact CG-CE2 4.41Å; Y527-Y535 HydrophobicContact CD1-CE2 4.1Å; Y527-Y535 AromaticContact CD2-CD2 3.9Å; Y527-Y535 HydrophobicContact CD2-CD2 3.9Å; Y527-Y535 HydrophobicContact CD2-CE2 4.2Å; Y527-Y535 HydrophobicContact CE1-CD2 4.21Å; Y527-Y535 AromaticContact CE1-CE2 3.71Å; Y527-Y535 HydrophobicContact CE1-CE2 3.71Å; Y527-Y535 AromaticContact CE2-CD2 3.5Å; Y527-Y535 HydrophobicContact CE2-CD2 3.5Å; Y527-Y535 VanDerWaalsContact CE2-CD2 3.5Å; Y527-Y535 AromaticContact CE2-CE2 3.89Å; Y527-Y535 HydrophobicContact CE2-CE2 3.89Å; Y527-Y535 HydrophobicContact CG-CD2 4.45Å; Y527-Y535 HydrophobicContact CG-CE2 4.32Å; Y527-Y535 AromaticContact CZ-CD2 3.64Å; Y527-Y535 AromaticContact CZ-CE2 3.6Å; Q531-Y535 HydrophobicContact CB-CD2 4.23Å; Q531-Y535 HydrophobicContact CB-CE2 3.82Å; Q531-Y535 HydrophobicContact CG-CE2 4.21Å; Q531-Y535 PolarHBondContact NE2-OH 2.91Å; Q531-Y535 VanDerWaalsContact O-CB 3.24Å; Q531-Y535 WeakPolarHBondContact O-CB 3.22Å; Q531-Y535 VanDerWaalsContact O-CD2 3.29Å; Q531-Y535 WeakPolarHBondContact O-CD2 3.32Å; Q531-Y535 PolarHBondContact O-N 2.93Å; I532-Y535 PolarHBondContact O-N 2.95Å; E533-Y535 VanDerWaalsContact C-N 3.34Å; E533-Y535 PolarHBondContact O-N 3.22Å; Y535-E538 PolarHBondContact O-N 3.02Å; Y535-V539 WeakPolarHBondContact O-CG2 3.47Å; Y535-V539 PolarHBondContact O-N 2.83Å; Y535-V539 VanDerWaalsContact O-N 3.09Å
536T98.8Very high97.8Very high39 Ų3959.3 Ų59.324%0.23932%0.319CS..Hα-helixtrans-62.8-49.6169.2-56.20000109.9I518 I532 E533 E538 V539 E540I518-T536 HydrophobicContact CD1-CG2 4.36Å; I532-T536 VanDerWaalsContact O-CB 3.32Å; I532-T536 WeakPolarHBondContact O-CB 3.49Å; I532-T536 PolarHBondContact O-N 2.89Å; I532-T536 PolarHBondContact O-OG1 3.13Å; E533-T536 WeakPolarHBondContact O-CB 3.26Å; E533-T536 PolarHBondContact O-N 3.4Å; T536-E538 VanDerWaalsContact C-N 3.33Å; T536-E538 PolarHBondContact O-N 2.83Å; T536-V539 WeakPolarHBondContact O-CB 3.42Å; T536-V539 PolarHBondContact O-N 2.72Å; T536-E540 WeakPolarHBondContact O-CG 3.41Å; T536-E540 PolarHBondContact O-N 3.37Å
537E98.7Very high97.7Very high123 Ų12355 Ų5558%0.57529%0.294SS*.Hα-helixtrans-59-41.4176.1-69.9-177.7167.900112.5E533 A534 V539 E540 Q541E533-E537 WeakPolarHBondContact O-CG 3.09Å; E533-E537 PolarHBondContact O-N 2.92Å; A534-E537 PolarHBondContact O-N 3.04Å; E537-V539 VanDerWaalsContact C-N 3.28Å; E537-V539 PolarHBondContact O-N 3.4Å; E537-E540 PolarHBondContact O-N 3.42Å; E537-Q541 VanDerWaalsContact O-CB 3.29Å; E537-Q541 WeakPolarHBondContact O-CB 3.12Å; E537-Q541 PolarHBondContact O-N 3.08Å
538E98.3Very high97.2Very high68 Ų6860.1 Ų60.132%0.31832%0.318SS..Hα-helixtrans-60.4-36.7174.8-77.1-178.8-147.100112K491 N493 A534 Y535 T536 A542K491-E538 WeakPolarHBondContact CD-OE2 3.45Å; K491-E538 VanDerWaalsContact NZ-CD 3.28Å; K491-E538 IonicContact NZ-OE1 2.59Å; K491-E538 PolarHBondContact NZ-OE1 3.44Å; K491-E538 IonicContact NZ-OE2 2.86Å; K491-E538 PolarHBondContact NZ-OE2 2.79Å; N493-E538 VanDerWaalsContact ND2-C 3.29Å; N493-E538 PolarHBondContact ND2-O 3.24Å; A534-E538 WeakPolarHBondContact O-CG 3.43Å; A534-E538 PolarHBondContact O-N 2.87Å; Y535-E538 PolarHBondContact O-N 3.02Å; T536-E538 VanDerWaalsContact C-N 3.33Å; T536-E538 PolarHBondContact O-N 2.83Å; E538-A542 WeakPolarHBondContact O-CB 3.45Å; E538-A542 PolarHBondContact O-N 2.86Å; E538-A542 VanDerWaalsContact O-N 3.09Å
539V98.8Very high96.2Very high0 Ų058.3 Ų58.30%031%0.307CS..Hα-helixtrans-71.7-46.5176.1171.80000111P492 L496 K514 I518 Y535 T536 E537 Q541 A542 I543P492-V539 HydrophobicContact CB-CG2 3.61Å; P492-V539 HydrophobicContact CG-CG2 4.43Å; L496-V539 HydrophobicContact CD1-CG1 3.9Å; L496-V539 HydrophobicContact CD1-CG2 3.92Å; K514-V539 HydrophobicContact CB-CG1 3.97Å; K514-V539 HydrophobicContact CD-CG1 4.13Å; I518-V539 HydrophobicContact CD1-CG2 4.43Å; Y535-V539 WeakPolarHBondContact O-CG2 3.47Å; Y535-V539 PolarHBondContact O-N 2.83Å; Y535-V539 VanDerWaalsContact O-N 3.09Å; T536-V539 WeakPolarHBondContact O-CB 3.42Å; T536-V539 PolarHBondContact O-N 2.72Å; E537-V539 VanDerWaalsContact C-N 3.28Å; E537-V539 PolarHBondContact O-N 3.4Å; V539-Q541 VanDerWaalsContact C-N 3.29Å; V539-Q541 PolarHBondContact O-N 2.94Å; V539-A542 PolarHBondContact O-N 3.08Å; V539-A542 VanDerWaalsContact O-N 3.16Å; V539-I543 HydrophobicContact CG1-CD1 3.85Å; V539-I543 HydrophobicContact CG1-CG1 4.42Å; V539-I543 WeakPolarHBondContact O-CG1 3.37Å; V539-I543 PolarHBondContact O-N 3.32Å
540E98.4Very high94.9Very high74 Ų7454.9 Ų54.935%0.34628%0.283SS..Hα-helixtrans-58.3-43.3176.9-64.7-49.314600111.8K514 T536 E537 I543 K544K514-E540 WeakPolarHBondContact CE-OE1 3.44Å; K514-E540 IonicContact NZ-OE1 3.92Å; K514-E540 PolarHBondContact NZ-OE1 3Å; K514-E540 IonicContact NZ-OE2 3.42Å; K514-E540 PolarHBondContact NZ-OE2 2.93Å; T536-E540 WeakPolarHBondContact O-CG 3.41Å; T536-E540 PolarHBondContact O-N 3.37Å; E537-E540 PolarHBondContact O-N 3.42Å; E540-I543 PolarHBondContact O-N 2.92Å; E540-K544 WeakPolarHBondContact O-CB 3.25Å; E540-K544 PolarHBondContact O-N 3.37Å
541Q96.6Very high93.2Very high88 Ų8859.3 Ų59.341%0.41130%0.298SS..Hα-helixtrans-64.6-42.1177.6-177.457.632.700111E537 V539 I543 K544 E545E537-Q541 VanDerWaalsContact O-CB 3.29Å; E537-Q541 WeakPolarHBondContact O-CB 3.12Å; E537-Q541 PolarHBondContact O-N 3.08Å; V539-Q541 VanDerWaalsContact C-N 3.29Å; V539-Q541 PolarHBondContact O-N 2.94Å; Q541-I543 PolarHBondContact O-N 2.79Å; Q541-K544 PolarHBondContact O-N 3.09Å; Q541-E545 HydrophobicContact CG-CG 4.45Å; Q541-E545 PolarHBondContact NE2-OE1 3.06Å; Q541-E545 WeakPolarHBondContact O-CB 3.28Å; Q541-E545 VanDerWaalsContact O-CG 3.25Å; Q541-E545 WeakPolarHBondContact O-CG 3.35Å; Q541-E545 PolarHBondContact O-N 3.2Å
542A96.8Very high91.5Very high17 Ų1758.6 Ų58.614%0.1429%0.294CS..Hα-helixtrans-63.8-38.4176.700000112.6M503 E538 V539 A546M503-A542 HydrophobicContact CE-CB 3.77Å; M503-A542 HydrophobicContact SD-CB 4.48Å; E538-A542 WeakPolarHBondContact O-CB 3.45Å; E538-A542 PolarHBondContact O-N 2.86Å; E538-A542 VanDerWaalsContact O-N 3.09Å; V539-A542 PolarHBondContact O-N 3.08Å; V539-A542 VanDerWaalsContact O-N 3.16Å; A542-A546 WeakPolarHBondContact O-CB 3.34Å; A542-A546 PolarHBondContact O-N 2.85Å
543I97.8Very high89.5Confident5 Ų560.8 Ų60.83%0.02631%0.312CS..Hα-helixtrans-61.5-50.6173.8-69.1164.7000109.9M503 I507 V510 L511 K514 V539 E540 Q541 E545 A546 Q547M503-I543 HydrophobicContact CE-CG1 4.03Å; M503-I543 HydrophobicContact SD-CB 4.48Å; M503-I543 HydrophobicContact SD-CG1 3.8Å; I507-I543 HydrophobicContact CD1-CG2 4.37Å; V510-I543 HydrophobicContact CG1-CD1 3.95Å; V510-I543 HydrophobicContact CG1-CG1 4.01Å; L511-I543 HydrophobicContact CD2-CD1 4.2Å; L511-I543 HydrophobicContact CD2-CG2 3.99Å; K514-I543 HydrophobicContact CD-CD1 3.75Å; V539-I543 HydrophobicContact CG1-CD1 3.85Å; V539-I543 HydrophobicContact CG1-CG1 4.42Å; V539-I543 WeakPolarHBondContact O-CG1 3.37Å; V539-I543 PolarHBondContact O-N 3.32Å; E540-I543 PolarHBondContact O-N 2.92Å; Q541-I543 PolarHBondContact O-N 2.79Å; I543-E545 VanDerWaalsContact C-N 3.34Å; I543-E545 PolarHBondContact O-N 3.26Å; I543-A546 PolarHBondContact O-N 3.49Å; I543-Q547 HydrophobicContact CG2-CG 4.46Å; I543-Q547 VanDerWaalsContact CG2-OE1 3.32Å; I543-Q547 WeakPolarHBondContact O-CG 3.37Å; I543-Q547 PolarHBondContact O-N 3.44Å
544K95.7Very high87.6Confident124 Ų12456.9 Ų56.954%0.53930%0.301SS..Hα-helixtrans-59.8-44.3179.4-175.8-180180179.10112.2E540 Q541 Q547 H548E540-K544 WeakPolarHBondContact O-CB 3.25Å; E540-K544 PolarHBondContact O-N 3.37Å; Q541-K544 PolarHBondContact O-N 3.09Å; K544-Q547 PolarHBondContact O-N 3.24Å; K544-H548 PolarHBondContact O-N 3.3Å
545E94.5Very high85.7Confident42 Ų4257.1 Ų57.120%0.19630%0.299CS..Hα-helixtrans-62-42.4176.8-77.6174.7178.800111.9L307 Q541 I543 G549L307-E545 HydrophobicContact CD1-CG 4.01Å; L307-E545 HydrophobicContact CD2-CB 3.62Å; L307-E545 HydrophobicContact CD2-CG 3.55Å; L307-E545 HydrophobicContact CG-CG 4.47Å; Q541-E545 HydrophobicContact CG-CG 4.45Å; Q541-E545 PolarHBondContact NE2-OE1 3.06Å; Q541-E545 WeakPolarHBondContact O-CB 3.28Å; Q541-E545 VanDerWaalsContact O-CG 3.25Å; Q541-E545 WeakPolarHBondContact O-CG 3.35Å; Q541-E545 PolarHBondContact O-N 3.2Å; I543-E545 VanDerWaalsContact C-N 3.34Å; I543-E545 PolarHBondContact O-N 3.26Å; E545-G549 VanDerWaalsContact O-CA 3.27Å; E545-G549 WeakPolarHBondContact O-CA 3.41Å; E545-G549 PolarHBondContact O-N 2.93Å
546A96.2Very high83.7Confident4 Ų465.7 Ų65.73%0.03334%0.336CS..Hα-helixtrans-63.5-50.9176.200000111R313 S336 T337 M503 I507 A542 I543R313-A546 PolarHBondContact NH2-O 3.05Å; S336-A546 CarbonylContact C-O 3.55Å; S336-A546 WeakPolarHBondContact CA-O 3.25Å; T337-A546 PolarHBondContact N-O 2.69Å; T337-A546 PolarHBondContact OG1-O 2.89Å; T337-A546 VanDerWaalsContact OG1-O 3.1Å; M503-A546 HydrophobicContact CG-CB 4.28Å; M503-A546 HydrophobicContact SD-CB 4.47Å; I507-A546 HydrophobicContact CD1-CB 4.08Å; A542-A546 WeakPolarHBondContact O-CB 3.34Å; A542-A546 PolarHBondContact O-N 2.85Å; I543-A546 PolarHBondContact O-N 3.49Å
547Q95Very high81.6Confident57 Ų5772.5 Ų72.527%0.26637%0.366SS..Hα-helixtrans-70.4-40.5-174-69.2-174.5-64.500113.6R313 I507 I543 K544R313-Q547 PolarHBondContact NH1-O 3.25Å; R313-Q547 PolarHBondContact NH2-O 3.01Å; I507-Q547 HydrophobicContact CD1-CG 3.48Å; I507-Q547 VanDerWaalsContact CD1-CG 3.48Å; I543-Q547 HydrophobicContact CG2-CG 4.46Å; I543-Q547 VanDerWaalsContact CG2-OE1 3.32Å; I543-Q547 WeakPolarHBondContact O-CG 3.37Å; I543-Q547 PolarHBondContact O-N 3.44Å; K544-Q547 PolarHBondContact O-N 3.24Å
548H88.2Confident80.7Confident123 Ų12370 Ų7057%0.56936%0.355SS*.Hα-helixtrans-118.4-12.4-169-57.1-58.9000114.3R313 K544R313-H548 PolarHBondContact NE-O 3.37Å; K544-H548 PolarHBondContact O-N 3.3Å
549G76.3Confident79.8Confident11 Ų1170.1 Ų70.111%0.11336%0.357CS..  trans64.4-145.6-171.100000111.5T308 E545T308-G549 CarbonylContact O-C 3.59Å; T308-G549 WeakPolarHBondContact O-CA 3.4Å; E545-G549 VanDerWaalsContact O-CA 3.27Å; E545-G549 WeakPolarHBondContact O-CA 3.41Å; E545-G549 PolarHBondContact O-N 2.93Å
550N72Confident78.7Confident37 Ų3773.9 Ų73.920%0.19838%0.377CS..  trans-157.4-176.9177.776.3-8.7000114.7L307 T308 Q552L307-N550 HydrophobicContact CB-CB 4.19Å; L307-N550 WeakPolarHBondContact CB-ND2 3.23Å; L307-N550 VanDerWaalsContact CB-OD1 3.28Å; L307-N550 WeakPolarHBondContact CB-OD1 3.42Å; L307-N550 HydrophobicContact CD1-CB 4Å; L307-N550 WeakPolarHBondContact CD1-ND2 3.43Å; T308-N550 PolarHBondContact O-N 3.26Å; N550-Q552 WeakPolarHBondContact ND2-CG 3.07Å; N550-Q552 PolarHBondContact ND2-NE2 3.41Å; N550-Q552 WeakPolarHBondContact OD1-CB 3.27Å; N550-Q552 PolarHBondContact OD1-N 3.08Å
551N62.2Low77.6Confident159 Ų15973.9 Ų73.985%0.8538%0.379SS*.  trans-96.860.6169.1-66.9-15.6000111.6P553N551-P553 VanDerWaalsContact O-CD 3.27Å; N551-P553 WeakPolarHBondContact O-CD 3.39Å
552Q61.8Low76.4Confident26 Ų2673.1 Ų73.112%0.12138%0.377CS..  trans-96.791.2164.7-89171.53.300109.2S305 T309 N550 A554S305-Q552 PolarHBondContact O-NE2 2.78Å; T309-Q552 WeakPolarHBondContact CG2-O 3.26Å; N550-Q552 WeakPolarHBondContact ND2-CG 3.07Å; N550-Q552 PolarHBondContact ND2-NE2 3.41Å; N550-Q552 WeakPolarHBondContact OD1-CB 3.27Å; N550-Q552 PolarHBondContact OD1-N 3.08Å; Q552-A554 PolarHBondContact O-N 3.15Å
553P57Low75Confident103 Ų10376.8 Ų76.867%0.66939%0.392SS*.PPolyproline II helixtrans-55.3138.1-174.622.1-32.5000111.5N551N551-P553 VanDerWaalsContact O-CD 3.27Å; N551-P553 WeakPolarHBondContact O-CD 3.39Å
554A58.7Low73.4Confident43 Ų4381.9 Ų81.936%0.35542%0.419SS..PPolyproline II helixtrans-62.5139.1174.600000110.3Q552 K556Q552-A554 PolarHBondContact O-N 3.15Å; A554-K556 PolarHBondContact O-N 3.12Å
555V58.9Low71.7Confident42 Ų4278.7 Ų78.726%0.25541%0.409SS..PPolyproline II helixtrans-71.5116.8174.2-168.80000107.8F298 D300F298-V555 HydrophobicContact CB-CB 4.48Å; D300-V555 HydrophobicContact CB-CG2 4.25Å; D300-V555 WeakPolarHBondContact OD1-CG2 3.36Å
556K57.7Low69.8Low194 Ų19481.8 Ų81.884%0.84343%0.427SS*.PPolyproline II helixtrans-85.5130.2165.3-64.2-176.4-178.5179.60107.1A554A554-K556 PolarHBondContact O-N 3.12Å
557E53.5Low67.4Low182 Ų18288.8 Ų88.885%0.8546%0.463SS*.  trans-690174.8-144.5175.1-14600111.4R250 F298R250-E557 IonicContact CZ-OE1 3.24Å; R250-E557 IonicContact NE-OE1 3.29Å; R250-E557 VanDerWaalsContact NH2-CD 3.34Å; R250-E557 IonicContact NH2-OE1 2.68Å; R250-E557 PolarHBondContact NH2-OE1 3.04Å; F298-E557 HydrophobicContact CD2-CB 4.2Å; F298-E557 HydrophobicContact CD2-CG 4.38Å; F298-E557 HydrophobicContact CE2-CB 4.15Å; F298-E557 VanDerWaalsContact CE2-CD 3.42Å; F298-E557 HydrophobicContact CE2-CG 4.15Å; F298-E557 WeakPolarHBondContact CE2-OE2 3.39Å

Retrieved 557 of 557 residues in 1632.6 ms (Link to these results)

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