DHB4_DROME Loading...

Peroxisomal multifunctional enzyme type 2

Bifunctional enzyme acting on the peroxisomal beta-oxidation pathway for fatty acids.

AlphaFold DB , UniProt , Accession Q9VXJ0, Species DROME (Drosophila melanogaster, Fruit fly), Gene Mfe2, Length 598 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.8Very low75.7Confident193 Ų19389.4 Ų89.495%0.95152%0.521SS*.  0117.60-68.6177.8-170.500108E231M1-E231 PolarHBondContact N-OE1 3.39Å
2S43.9Very low77.5Confident119 Ų11986 Ų8683%0.83252%0.519SS*.  trans-78.6123.2173.666.30000109.4
3S50Low79.1Confident27 Ų2783 Ų8319%0.18949%0.493CS..  trans-63.8155.6170.262.10000110.6D5 G6 K7S3-D5 WeakPolarHBondContact CB-OD1 3.49Å; S3-D5 PolarHBondContact O-N 3.46Å; S3-D5 PolarHBondContact OG-OD1 2.91Å; S3-G6 PolarHBondContact O-N 3.39Å; S3-K7 PolarHBondContact OG-N 3.26Å; S3-K7 PolarHBondContact OG-O 3.01Å; S3-K7 VanDerWaalsContact OG-O 3.13Å
4S55.8Low80.5Confident141 Ų14177.2 Ų77.299%0.98646%0.459SS*.THydrogen-bonded Turntrans-61.7-10.8177.9560000114.4
5D73.9Confident81.7Confident83 Ų8372.1 Ų72.144%0.44443%0.428SS..THydrogen-bonded Turntrans-110.36.4-179.571.4-13.7000114.4S3 K7S3-D5 WeakPolarHBondContact CB-OD1 3.49Å; S3-D5 PolarHBondContact O-N 3.46Å; S3-D5 PolarHBondContact OG-OD1 2.91Å; D5-K7 PolarHBondContact O-N 2.99Å; D5-K7 PolarHBondContact OD1-N 3.36Å; D5-K7 WeakPolarHBondContact OD2-CD 3.45Å; D5-K7 WeakPolarHBondContact OD2-CE 3.15Å; D5-K7 WeakPolarHBondContact OD2-CG 3.48Å; D5-K7 IonicContact OD2-NZ 3.94Å; D5-K7 PolarHBondContact OD2-NZ 2.87Å
6G81.6Confident82.8Confident67 Ų6767.6 Ų67.669%0.69140%0.401SS*.  trans72.68.917700000115.3S3S3-G6 PolarHBondContact O-N 3.39Å
7K90.6Very high83.8Confident117 Ų11763.6 Ų63.651%0.50938%0.378SS..  trans-78.9142.3176.7-65.6-175.9-170.2134.60111.5S3 D5S3-K7 PolarHBondContact OG-N 3.26Å; S3-K7 PolarHBondContact OG-O 3.01Å; S3-K7 VanDerWaalsContact OG-O 3.13Å; D5-K7 PolarHBondContact O-N 2.99Å; D5-K7 PolarHBondContact OD1-N 3.36Å; D5-K7 WeakPolarHBondContact OD2-CD 3.45Å; D5-K7 WeakPolarHBondContact OD2-CE 3.15Å; D5-K7 WeakPolarHBondContact OD2-CG 3.48Å; D5-K7 IonicContact OD2-NZ 3.94Å; D5-K7 PolarHBondContact OD2-NZ 2.87Å
8L97Very high84.6Confident65 Ų6560.2 Ų60.234%0.3436%0.357SS..  trans-72.4130170.7-56-176.4000110.2R35 Y227L8-R35 PolarHBondContact O-NH1 2.92Å; L8-R35 VanDerWaalsContact O-NH1 3.16Å; L8-Y227 HydrophobicContact CD1-CD2 3.6Å; L8-Y227 HydrophobicContact CD1-CE2 3.97Å
9R97.9Very high85.2Confident75 Ų7557.8 Ų57.828%0.28335%0.347SS..  trans-137.1162.5-171.7-61.7-165.565.88110.6112.3D11 H230R9-D11 WeakPolarHBondContact CD-OD2 3.27Å; R9-D11 IonicContact CZ-OD1 3.22Å; R9-D11 IonicContact CZ-OD2 2.74Å; R9-D11 IonicContact NE-OD1 2.87Å; R9-D11 PolarHBondContact NE-OD1 2.74Å; R9-D11 IonicContact NE-OD2 3.87Å; R9-D11 PolarHBondContact NE-OD2 3.22Å; R9-D11 IonicContact NH2-OD1 3.52Å; R9-D11 PolarHBondContact NH2-OD1 3.34Å; R9-D11 IonicContact NH2-OD2 3.78Å; R9-H230 PolarHBondContact O-CD2 3.32Å; R9-H230 PolarHBondContact O-NE2 3.35Å
10Y98.4Very high85.9Confident8 Ų855 Ų553%0.03133%0.33CS..  trans-130.527.7-177.4-54.1-91.9000111.7G12 R13 F32 R35 I98 A226 C229 H230Y10-G12 PolarHBondContact O-N 2.87Å; Y10-R13 VanDerWaalsContact O-CB 3.23Å; Y10-R13 WeakPolarHBondContact O-CB 3.43Å; Y10-R13 WeakPolarHBondContact O-CG 3.41Å; Y10-R13 PolarHBondContact O-N 2.8Å; Y10-F32 HydrophobicContact CD1-CD1 4.3Å; Y10-F32 HydrophobicContact CD1-CE1 4.3Å; Y10-F32 HydrophobicContact CD2-CD1 4.12Å; Y10-F32 HydrophobicContact CE1-CD1 4.23Å; Y10-F32 AromaticContact CE1-CE1 3.88Å; Y10-F32 HydrophobicContact CE1-CE1 3.88Å; Y10-F32 HydrophobicContact CE2-CD1 4.1Å; Y10-F32 HydrophobicContact CE2-CE1 4.33Å; Y10-F32 HydrophobicContact CG-CD1 4.25Å; Y10-F32 AromaticContact CZ-CE1 3.94Å; Y10-R35 HydrophobicContact CD2-CB 3.52Å; Y10-R35 HydrophobicContact CE2-CB 3.81Å; Y10-R35 HydrophobicContact CE2-CG 4.36Å; Y10-R35 PolarHBondContact N-O 2.84Å; Y10-I98 HydrophobicContact CD1-CD1 3.66Å; Y10-I98 HydrophobicContact CE1-CD1 4.1Å; Y10-I98 HydrophobicContact CG-CD1 4.5Å; Y10-A226 PolarHBondContact OH-O 2.55Å; Y10-C229 HydrophobicContact CE1-CB 4.43Å; Y10-H230 HydrophobicContact CE1-CB 4.03Å; Y10-H230 AromaticContact CE1-CD2 3.99Å; Y10-H230 AromaticContact CZ-CD2 3.97Å
11D97.7Very high86.3Confident88 Ų8852.9 Ų52.947%0.47132%0.32SS..THydrogen-bonded Turntrans-55.2129.7-178.3-55-52.2000110.4R9 R13 G36R9-D11 WeakPolarHBondContact CD-OD2 3.27Å; R9-D11 IonicContact CZ-OD1 3.22Å; R9-D11 IonicContact CZ-OD2 2.74Å; R9-D11 IonicContact NE-OD1 2.87Å; R9-D11 PolarHBondContact NE-OD1 2.74Å; R9-D11 IonicContact NE-OD2 3.87Å; R9-D11 PolarHBondContact NE-OD2 3.22Å; R9-D11 IonicContact NH2-OD1 3.52Å; R9-D11 PolarHBondContact NH2-OD1 3.34Å; R9-D11 IonicContact NH2-OD2 3.78Å; D11-R13 VanDerWaalsContact C-N 3.26Å; D11-R13 PolarHBondContact O-N 3.04Å; D11-G36 WeakPolarHBondContact OD1-CA 3.31Å
12G97.4Very high88.5Confident49 Ų4946.7 Ų46.751%0.50530%0.3SS..THydrogen-bonded Turntrans77.6-0.7-176.900000115.7Y10Y10-G12 PolarHBondContact O-N 2.87Å
13R98.5Very high90.9Very high47 Ų4743 Ų4318%0.17728%0.281CS..  trans-89.9148.3173.1-54.2-61.6-175.2168.82111.2Y10 D11 A37 K38 D97 Y146 E231Y10-R13 VanDerWaalsContact O-CB 3.23Å; Y10-R13 WeakPolarHBondContact O-CB 3.43Å; Y10-R13 WeakPolarHBondContact O-CG 3.41Å; Y10-R13 PolarHBondContact O-N 2.8Å; D11-R13 VanDerWaalsContact C-N 3.26Å; D11-R13 PolarHBondContact O-N 3.04Å; R13-A37 WeakPolarHBondContact O-CA 3.46Å; R13-K38 PolarHBondContact O-N 3.05Å; R13-D97 WeakPolarHBondContact CA-OD2 3.48Å; R13-D97 HydrophobicContact CB-CB 4.09Å; R13-D97 IonicContact NH1-OD1 2.86Å; R13-D97 PolarHBondContact NH1-OD1 2.98Å; R13-D97 VanDerWaalsContact NH1-OD1 3.15Å; R13-Y146 VanDerWaalsContact NH1-CD1 3.27Å; R13-E231 IonicContact NH2-OE2 2.88Å; R13-E231 PolarHBondContact NH2-OE2 2.85Å
14V98.9Very high93Very high2 Ų243.1 Ų43.11%0.01228%0.279CS..EExtended strand (participates in β ladder)trans-110.2123.1173178.60000110.4K38 A89 F93 R95 D97 I98V14-K38 CarbonylContact C-O 3.54Å; V14-K38 WeakPolarHBondContact CA-O 3.23Å; V14-K38 HydrophobicContact CG2-CB 4.19Å; V14-A89 HydrophobicContact CG1-CB 4.18Å; V14-F93 HydrophobicContact CG1-CB 4.23Å; V14-F93 HydrophobicContact CG1-CD2 3.73Å; V14-F93 HydrophobicContact CG1-CG 4.4Å; V14-F93 HydrophobicContact CG2-CB 3.46Å; V14-F93 VanDerWaalsContact CG2-CB 3.46Å; V14-F93 HydrophobicContact CG2-CD2 4.24Å; V14-F93 HydrophobicContact CG2-CG 4.12Å; V14-R95 HydrophobicContact CB-CG 4.07Å; V14-R95 WeakPolarHBondContact CB-O 3.27Å; V14-R95 VanDerWaalsContact CG1-O 3.32Å; V14-R95 WeakPolarHBondContact CG1-O 3.3Å; V14-R95 HydrophobicContact CG2-CG 3.4Å; V14-R95 VanDerWaalsContact CG2-CG 3.4Å; V14-D97 PolarHBondContact N-OD2 2.97Å; V14-D97 PolarHBondContact O-N 3.27Å; V14-I98 PolarHBondContact O-N 2.75Å
15A98.9Very high95Very high0 Ų036.4 Ų36.40%023%0.232CC..EExtended strand (participates in β ladder)trans-108.3127177.100000111.4F32 A37 K38 V39 V40 I98A15-F32 HydrophobicContact CB-CB 4.35Å; A15-F32 HydrophobicContact CB-CD2 4.19Å; A15-F32 HydrophobicContact CB-CG 4.2Å; A15-A37 HydrophobicContact CB-CB 4.39Å; A15-K38 PolarHBondContact N-O 3.25Å; A15-V39 CarbonylContact O-C 3.57Å; A15-V39 WeakPolarHBondContact O-CA 3.33Å; A15-V40 PolarHBondContact O-N 3.29Å; A15-I98 CarbonylContact C-O 3.53Å; A15-I98 WeakPolarHBondContact CA-O 3.23Å; A15-I98 HydrophobicContact CB-CB 3.91Å; A15-I98 HydrophobicContact CB-CD1 4.4Å; A15-I98 HydrophobicContact CB-CG2 4.17Å
16V99Very high96.1Very high0 Ų035.4 Ų35.40%022%0.222CC..EExtended strand (participates in β ladder)trans-104.3119.7169.8-179.30000107.8V40 V85 I86 A89 V96 I98 L99 V100V16-V40 HydrophobicContact CB-CB 4.45Å; V16-V40 HydrophobicContact CG1-CB 4.38Å; V16-V40 HydrophobicContact CG2-CB 4.06Å; V16-V40 HydrophobicContact CG2-CG2 4.16Å; V16-V85 HydrophobicContact CG1-CG1 3.89Å; V16-I86 HydrophobicContact CG1-CD1 4.38Å; V16-I86 HydrophobicContact CG2-CD1 4.35Å; V16-A89 HydrophobicContact CG2-CB 3.64Å; V16-V96 HydrophobicContact CG2-CG2 3.75Å; V16-I98 PolarHBondContact N-O 2.87Å; V16-L99 HydrophobicContact CB-CD1 4Å; V16-L99 HydrophobicContact CG1-CD1 3.96Å; V16-L99 WeakPolarHBondContact O-CA 3.19Å; V16-V100 PolarHBondContact O-N 3.28Å
17V98.9Very high96.9Very high0 Ų034 Ų340%020%0.197CC..EExtended strand (participates in β ladder)trans-117.9119.5177.4-172.10000108.4A20 Y28 A29 F32 V40 N42 V100V17-A20 HydrophobicContact CB-CB 3.87Å; V17-A20 HydrophobicContact CG1-CB 3.8Å; V17-A20 VanDerWaalsContact O-CB 3.3Å; V17-A20 WeakPolarHBondContact O-CB 3.34Å; V17-Y28 HydrophobicContact CG1-CD2 4.34Å; V17-A29 HydrophobicContact CG2-CB 4.46Å; V17-F32 HydrophobicContact CG2-CD2 4.27Å; V17-V40 PolarHBondContact N-O 3.38Å; V17-V40 VanDerWaalsContact N-O 3.08Å; V17-N42 PolarHBondContact O-N 3.43Å; V17-V100 HydrophobicContact CG1-CB 4.14Å; V17-V100 HydrophobicContact CG1-CG1 4.37Å; V17-V100 HydrophobicContact CG2-CB 4.3Å; V17-V100 HydrophobicContact CG2-CG2 4.38Å
18T98.7Very high97.3Very high2 Ų228.5 Ų28.51%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-90.5144.9178.668.40000111.7A20 N42 V79 V85 V100 N102 A103T18-A20 VanDerWaalsContact C-N 3.31Å; T18-N42 CarbonylContact C-O 3.55Å; T18-N42 WeakPolarHBondContact CA-OD1 3.28Å; T18-N42 WeakPolarHBondContact CB-OD1 3.46Å; T18-N42 HydrophobicContact CG2-CB 4.31Å; T18-V79 HydrophobicContact CG2-CG1 3.81Å; T18-V85 HydrophobicContact CG2-CG1 4.45Å; T18-V100 PolarHBondContact N-O 3.07Å; T18-V100 PolarHBondContact OG1-O 3.45Å; T18-N102 CarbonylContact O-C 3.53Å; T18-N102 VanDerWaalsContact O-CB 3.26Å; T18-N102 WeakPolarHBondContact O-CB 3.43Å; T18-N102 PolarHBondContact O-ND2 2.72Å; T18-N102 VanDerWaalsContact O-ND2 3.07Å; T18-N102 PolarHBondContact OG1-N 3.37Å; T18-A103 PolarHBondContact O-N 3.15Å; T18-A103 VanDerWaalsContact O-N 3.1Å; T18-A103 PolarHBondContact OG1-N 2.96Å
19G96.8Very high97.3Very high16 Ų1625.4 Ų25.417%0.16516%0.157CC..THydrogen-bonded Turntrans60.842.3-171.400000112N42 D43 N102G19-N42 WeakPolarHBondContact CA-O 3.26Å; G19-N42 PolarHBondContact N-O 2.92Å; G19-D43 VanDerWaalsContact C-OD2 3.28Å; G19-D43 WeakPolarHBondContact CA-OD2 3.31Å; G19-N102 PolarHBondContact O-ND2 3.17Å; G19-N102 VanDerWaalsContact O-ND2 3.13Å
20A97.7Very high97.4Very high0 Ų023.2 Ų23.20%015%0.151CC..  trans-95.23.6-171.800000114.4V17 T18 A22 R26 A29 V41 N42 D43V17-A20 HydrophobicContact CB-CB 3.87Å; V17-A20 HydrophobicContact CG1-CB 3.8Å; V17-A20 VanDerWaalsContact O-CB 3.3Å; V17-A20 WeakPolarHBondContact O-CB 3.34Å; T18-A20 VanDerWaalsContact C-N 3.31Å; A20-A22 VanDerWaalsContact C-N 3.28Å; A20-A22 PolarHBondContact O-N 2.92Å; A20-R26 VanDerWaalsContact O-CA 3.28Å; A20-R26 WeakPolarHBondContact O-CA 3.17Å; A20-R26 PolarHBondContact O-N 3.47Å; A20-A29 HydrophobicContact CB-CB 4.32Å; A20-V41 HydrophobicContact CB-CB 4.46Å; A20-V41 HydrophobicContact CB-CG1 3.71Å; A20-N42 PolarHBondContact N-O 2.93Å; A20-D43 PolarHBondContact N-OD2 2.99Å
21G95.1Very high97.4Very high12 Ų1223.9 Ų23.912%0.12416%0.155CC..SBendtrans-74.1-17.7178.900000114D43 A57G21-D43 WeakPolarHBondContact CA-OD2 3.16Å; G21-D43 PolarHBondContact N-OD2 2.88Å; G21-A57 VanDerWaalsContact CA-O 3.23Å; G21-A57 WeakPolarHBondContact CA-O 3.33Å
22A93Very high97.4Very high63 Ų6319.7 Ų19.752%0.52113%0.133SC..SBendtrans-155.1174.8178.400000112.5A20 R26A20-A22 VanDerWaalsContact C-N 3.28Å; A20-A22 PolarHBondContact O-N 2.92Å; A22-R26 PolarHBondContact O-N 2.75Å
23G92.6Very high97.5Very high42 Ų4217.9 Ų17.943%0.43311%0.113SC..Hα-helixtrans58.2-138169.300000114.2R26 E27G23-R26 PolarHBondContact O-N 2.98Å; G23-E27 PolarHBondContact O-N 3.35Å
24L95.3Very high97.5Very high29 Ų2921.8 Ų21.815%0.15213%0.133CC..Hα-helixtrans-58.9-47.3-179-71.8164000112.7R26 E27 Y28 P197 A199 P218 I221L24-R26 VanDerWaalsContact C-N 3.29Å; L24-R26 PolarHBondContact O-N 3.48Å; L24-E27 PolarHBondContact O-N 3.33Å; L24-E27 VanDerWaalsContact O-N 3.16Å; L24-Y28 HydrophobicContact CB-CE1 4.43Å; L24-Y28 HydrophobicContact CB-CE2 3.92Å; L24-Y28 HydrophobicContact CD2-CE1 4.37Å; L24-Y28 WeakPolarHBondContact O-CD1 3.32Å; L24-Y28 WeakPolarHBondContact O-CD2 3.38Å; L24-Y28 PolarHBondContact O-N 3.47Å; L24-P197 HydrophobicContact CD1-CB 3.73Å; L24-P197 HydrophobicContact CD1-CG 3.72Å; L24-P197 HydrophobicContact CD2-CB 4.41Å; L24-A199 HydrophobicContact CD1-CB 4.41Å; L24-A199 HydrophobicContact CD2-CB 4.22Å; L24-A199 HydrophobicContact CG-CB 4.37Å; L24-P218 HydrophobicContact CD2-CB 3.75Å; L24-P218 HydrophobicContact CD2-CG 4.34Å; L24-P218 HydrophobicContact CG-CB 4.21Å; L24-P218 HydrophobicContact CG-CG 4.5Å; L24-I221 HydrophobicContact CD2-CB 4.12Å; L24-I221 HydrophobicContact CD2-CD1 3.74Å; L24-I221 HydrophobicContact CD2-CG2 4.29Å
25G97.1Very high97.5Very high0 Ų025 Ų250%015%0.145CC..Hα-helixtrans-60.4-39-179.300000112.5Y28 A29 N102G25-Y28 PolarHBondContact O-N 3.05Å; G25-A29 WeakPolarHBondContact O-CB 3.32Å; G25-A29 PolarHBondContact O-N 2.86Å; G25-N102 VanDerWaalsContact CA-ND2 3.35Å; G25-N102 WeakPolarHBondContact CA-ND2 3.5Å; G25-N102 PolarHBondContact N-ND2 3.18Å
26R97.3Very high97.4Very high62 Ų6226.1 Ų26.123%0.23416%0.156CC..Hα-helixtrans-60.3-49.7173.9176.4179.4176.7-80.63.2111.8A20 A22 G23 L24 Y28 A29 L30 V61 E64A20-R26 VanDerWaalsContact O-CA 3.28Å; A20-R26 WeakPolarHBondContact O-CA 3.17Å; A20-R26 PolarHBondContact O-N 3.47Å; A22-R26 PolarHBondContact O-N 2.75Å; G23-R26 PolarHBondContact O-N 2.98Å; L24-R26 VanDerWaalsContact C-N 3.29Å; L24-R26 PolarHBondContact O-N 3.48Å; R26-Y28 VanDerWaalsContact C-N 3.3Å; R26-Y28 PolarHBondContact O-N 2.94Å; R26-A29 PolarHBondContact O-N 3.26Å; R26-L30 HydrophobicContact CG-CD1 3.91Å; R26-L30 HydrophobicContact CG-CG 4.35Å; R26-L30 VanDerWaalsContact CZ-CD1 3.48Å; R26-L30 VanDerWaalsContact NH1-CD1 3.35Å; R26-L30 WeakPolarHBondContact O-CG 3.44Å; R26-L30 PolarHBondContact O-N 3.03Å; R26-V61 HydrophobicContact CB-CG2 4.33Å; R26-V61 HydrophobicContact CG-CG1 4.19Å; R26-V61 HydrophobicContact CG-CG2 3.78Å; R26-E64 IonicContact CZ-OE1 3.33Å; R26-E64 IonicContact CZ-OE2 3.99Å; R26-E64 IonicContact NE-OE2 3.61Å; R26-E64 IonicContact NH2-OE1 2.85Å; R26-E64 PolarHBondContact NH2-OE1 2.83Å; R26-E64 IonicContact NH2-OE2 2.77Å; R26-E64 PolarHBondContact NH2-OE2 3.32Å
27E97.8Very high97.4Very high37 Ų3726.3 Ų26.317%0.17316%0.157CC..Hα-helixtrans-64.7-34.2179.9-64.2-55.9127.500112.4G23 L24 L31 P218 K219 A222G23-E27 PolarHBondContact O-N 3.35Å; L24-E27 PolarHBondContact O-N 3.33Å; L24-E27 VanDerWaalsContact O-N 3.16Å; E27-L31 VanDerWaalsContact O-CB 3.31Å; E27-L31 WeakPolarHBondContact O-CB 3.45Å; E27-L31 PolarHBondContact O-N 2.56Å; E27-P218 HydrophobicContact CB-CB 4.4Å; E27-P218 HydrophobicContact CG-CB 3.71Å; E27-K219 HydrophobicContact CG-CB 4.41Å; E27-A222 HydrophobicContact CB-CB 4.03Å
28Y98.6Very high97.4Very high1 Ų129 Ų290%0.00417%0.17CC..Hα-helixtrans-63.4-48.9172.8-55.1-24.7000111.2V17 L24 G25 R26 L30 L31 F32 V100 N102 I221 A222 V225V17-Y28 HydrophobicContact CG1-CD2 4.34Å; L24-Y28 HydrophobicContact CB-CE1 4.43Å; L24-Y28 HydrophobicContact CB-CE2 3.92Å; L24-Y28 HydrophobicContact CD2-CE1 4.37Å; L24-Y28 WeakPolarHBondContact O-CD1 3.32Å; L24-Y28 WeakPolarHBondContact O-CD2 3.38Å; L24-Y28 PolarHBondContact O-N 3.47Å; G25-Y28 PolarHBondContact O-N 3.05Å; R26-Y28 VanDerWaalsContact C-N 3.3Å; R26-Y28 PolarHBondContact O-N 2.94Å; Y28-L30 PolarHBondContact O-N 3.31Å; Y28-L31 PolarHBondContact O-N 2.63Å; Y28-F32 WeakPolarHBondContact O-CD2 3.5Å; Y28-F32 PolarHBondContact O-N 2.76Å; Y28-V100 HydrophobicContact CD2-CG1 3.76Å; Y28-V100 HydrophobicContact CE2-CG1 4.1Å; Y28-N102 HydrophobicContact CE2-CB 4.36Å; Y28-I221 HydrophobicContact CE1-CG2 4.26Å; Y28-A222 HydrophobicContact CD1-CB 3.67Å; Y28-A222 HydrophobicContact CE1-CB 4.06Å; Y28-V225 HydrophobicContact CD1-CB 4.11Å; Y28-V225 HydrophobicContact CD1-CG1 4.22Å; Y28-V225 HydrophobicContact CD1-CG2 4.34Å; Y28-V225 HydrophobicContact CD2-CG1 4.32Å; Y28-V225 HydrophobicContact CE1-CB 3.96Å; Y28-V225 HydrophobicContact CE1-CG1 4.37Å; Y28-V225 HydrophobicContact CE1-CG2 3.7Å; Y28-V225 HydrophobicContact CE2-CG1 4.44Å; Y28-V225 HydrophobicContact CE2-CG2 4.28Å; Y28-V225 HydrophobicContact CG-CG1 4.2Å
29A98.8Very high97.4Very high0 Ų029 Ų290%017%0.169CC..Hα-helixtrans-60-46.2179.400000112V17 A20 G25 R26 A33 V39 V41 V61 I65V17-A29 HydrophobicContact CG2-CB 4.46Å; A20-A29 HydrophobicContact CB-CB 4.32Å; G25-A29 WeakPolarHBondContact O-CB 3.32Å; G25-A29 PolarHBondContact O-N 2.86Å; R26-A29 PolarHBondContact O-N 3.26Å; A29-A33 WeakPolarHBondContact O-CB 3.24Å; A29-A33 PolarHBondContact O-N 3.12Å; A29-V39 HydrophobicContact CB-CG1 3.88Å; A29-V41 HydrophobicContact CB-CG2 4.34Å; A29-V61 HydrophobicContact CB-CG1 4.28Å; A29-I65 HydrophobicContact CB-CD1 4.31Å
30L98.8Very high97.5Very high30 Ų3028.2 Ų28.216%0.15716%0.161CC..Hα-helixtrans-62.2-45.5177.4-69.4174.1000111.9R26 Y28 A33 E34 V61 E64 I65R26-L30 HydrophobicContact CG-CD1 3.91Å; R26-L30 HydrophobicContact CG-CG 4.35Å; R26-L30 VanDerWaalsContact CZ-CD1 3.48Å; R26-L30 VanDerWaalsContact NH1-CD1 3.35Å; R26-L30 WeakPolarHBondContact O-CG 3.44Å; R26-L30 PolarHBondContact O-N 3.03Å; Y28-L30 PolarHBondContact O-N 3.31Å; L30-A33 PolarHBondContact O-N 3.36Å; L30-E34 WeakPolarHBondContact O-CB 3.47Å; L30-E34 PolarHBondContact O-N 3.13Å; L30-V61 HydrophobicContact CD2-CG1 4.47Å; L30-E64 HydrophobicContact CD2-CB 4.36Å; L30-E64 HydrophobicContact CD2-CG 3.92Å; L30-I65 HydrophobicContact CD2-CG1 3.77Å
31L98.6Very high97.6Very high21 Ų2128.2 Ų28.211%0.1116%0.161CC..Hα-helixtrans-66.8-42.7-179.9-179.560.2000112.1E27 Y28 A33 E34 R35 A222 P223 A226E27-L31 VanDerWaalsContact O-CB 3.31Å; E27-L31 WeakPolarHBondContact O-CB 3.45Å; E27-L31 PolarHBondContact O-N 2.56Å; Y28-L31 PolarHBondContact O-N 2.63Å; L31-A33 VanDerWaalsContact C-N 3.31Å; L31-A33 PolarHBondContact O-N 3.28Å; L31-E34 PolarHBondContact O-N 3.3Å; L31-R35 HydrophobicContact CD1-CG 4.07Å; L31-R35 WeakPolarHBondContact O-CB 3.5Å; L31-R35 VanDerWaalsContact O-CG 3.28Å; L31-R35 WeakPolarHBondContact O-CG 3.41Å; L31-R35 PolarHBondContact O-N 2.85Å; L31-A222 HydrophobicContact CB-CB 4.48Å; L31-A222 VanDerWaalsContact CD2-C 3.47Å; L31-A222 HydrophobicContact CD2-CB 3.86Å; L31-P223 HydrophobicContact CD2-CB 4.46Å; L31-P223 HydrophobicContact CD2-CG 4.19Å; L31-A226 HydrophobicContact CD2-CB 3.74Å; L31-A226 HydrophobicContact CG-CB 4.32Å
32F98.8Very high97.7Very high1 Ų127.8 Ų27.80%0.00416%0.156CC..Hα-helixtrans-60.5-42.6175.8-78.5-55.5000111.7Y10 A15 V17 Y28 R35 G36 A37 V39 I98 V100 A226 C229Y10-F32 HydrophobicContact CD1-CD1 4.3Å; Y10-F32 HydrophobicContact CD1-CE1 4.3Å; Y10-F32 HydrophobicContact CD2-CD1 4.12Å; Y10-F32 HydrophobicContact CE1-CD1 4.23Å; Y10-F32 AromaticContact CE1-CE1 3.88Å; Y10-F32 HydrophobicContact CE1-CE1 3.88Å; Y10-F32 HydrophobicContact CE2-CD1 4.1Å; Y10-F32 HydrophobicContact CE2-CE1 4.33Å; Y10-F32 HydrophobicContact CG-CD1 4.25Å; Y10-F32 AromaticContact CZ-CE1 3.94Å; A15-F32 HydrophobicContact CB-CB 4.35Å; A15-F32 HydrophobicContact CB-CD2 4.19Å; A15-F32 HydrophobicContact CB-CG 4.2Å; V17-F32 HydrophobicContact CG2-CD2 4.27Å; Y28-F32 WeakPolarHBondContact O-CD2 3.5Å; Y28-F32 PolarHBondContact O-N 2.76Å; F32-R35 CarbonylContact O-C 3.56Å; F32-R35 PolarHBondContact O-N 2.92Å; F32-G36 PolarHBondContact O-N 3.16Å; F32-A37 HydrophobicContact CB-CB 3.93Å; F32-A37 VanDerWaalsContact O-CB 3.31Å; F32-A37 WeakPolarHBondContact O-CB 3.47Å; F32-A37 PolarHBondContact O-N 3.2Å; F32-V39 HydrophobicContact CB-CG2 4.09Å; F32-I98 HydrophobicContact CD1-CD1 4.23Å; F32-I98 HydrophobicContact CE1-CD1 3.89Å; F32-I98 HydrophobicContact CE1-CG2 4.45Å; F32-I98 HydrophobicContact CE2-CG2 4.27Å; F32-I98 HydrophobicContact CZ-CD1 4.46Å; F32-I98 HydrophobicContact CZ-CG2 3.96Å; F32-V100 HydrophobicContact CE2-CG2 3.92Å; F32-V100 HydrophobicContact CZ-CG2 4.43Å; F32-A226 HydrophobicContact CE1-CB 4.03Å; F32-A226 HydrophobicContact CZ-CB 4.35Å; F32-C229 HydrophobicContact CE1-CB 3.85Å; F32-C229 HydrophobicContact CZ-CB 3.76Å
33A98.8Very high98Very high11 Ų1126 Ų269%0.09114%0.138CC..Hα-helixtrans-65.4-44.7176.500000112.8A29 L30 L31 R35 G36 V39 I65A29-A33 WeakPolarHBondContact O-CB 3.24Å; A29-A33 PolarHBondContact O-N 3.12Å; L30-A33 PolarHBondContact O-N 3.36Å; L31-A33 VanDerWaalsContact C-N 3.31Å; L31-A33 PolarHBondContact O-N 3.28Å; A33-R35 PolarHBondContact O-N 2.88Å; A33-R35 VanDerWaalsContact O-N 3.17Å; A33-G36 PolarHBondContact O-N 3.21Å; A33-V39 HydrophobicContact CB-CG2 3.92Å; A33-I65 HydrophobicContact CB-CB 4.28Å; A33-I65 HydrophobicContact CB-CD1 4.07Å; A33-I65 HydrophobicContact CB-CG1 3.89Å; A33-I65 HydrophobicContact CB-CG2 3.48Å; A33-I65 VanDerWaalsContact CB-CG2 3.48Å
34E98.2Very high98Very high128 Ų12827.6 Ų27.660%0.59814%0.136SC*.Hα-helixtrans-54.2-35.2173.7-173.9-158123.200111.2L30 L31L30-E34 WeakPolarHBondContact O-CB 3.47Å; L30-E34 PolarHBondContact O-N 3.13Å; L31-E34 PolarHBondContact O-N 3.3Å
35R98Very high97.7Very high71 Ų7127 Ų2727%0.26814%0.136SC..THydrogen-bonded Turntrans-93.213.9179.6-58.1-53.5-178.584.76.3114.2L8 Y10 L31 F32 A33L8-R35 PolarHBondContact O-NH1 2.92Å; L8-R35 VanDerWaalsContact O-NH1 3.16Å; Y10-R35 HydrophobicContact CD2-CB 3.52Å; Y10-R35 HydrophobicContact CE2-CB 3.81Å; Y10-R35 HydrophobicContact CE2-CG 4.36Å; Y10-R35 PolarHBondContact N-O 2.84Å; L31-R35 HydrophobicContact CD1-CG 4.07Å; L31-R35 WeakPolarHBondContact O-CB 3.5Å; L31-R35 VanDerWaalsContact O-CG 3.28Å; L31-R35 WeakPolarHBondContact O-CG 3.41Å; L31-R35 PolarHBondContact O-N 2.85Å; F32-R35 CarbonylContact O-C 3.56Å; F32-R35 PolarHBondContact O-N 2.92Å; A33-R35 PolarHBondContact O-N 2.88Å; A33-R35 VanDerWaalsContact O-N 3.17Å
36G98Very high97.2Very high23 Ų2328.6 Ų28.624%0.23715%0.153CC..THydrogen-bonded Turntrans91.35.5167.900000116.5D11 F32 A33D11-G36 WeakPolarHBondContact OD1-CA 3.31Å; F32-G36 PolarHBondContact O-N 3.16Å; A33-G36 PolarHBondContact O-N 3.21Å
37A98.8Very high96.7Very high3 Ų328.9 Ų28.93%0.02516%0.162CC..  trans-72.7148.3172.800000110.8R13 A15 F32 V39R13-A37 WeakPolarHBondContact O-CA 3.46Å; A15-A37 HydrophobicContact CB-CB 4.39Å; F32-A37 HydrophobicContact CB-CB 3.93Å; F32-A37 VanDerWaalsContact O-CB 3.31Å; F32-A37 WeakPolarHBondContact O-CB 3.47Å; F32-A37 PolarHBondContact O-N 3.2Å; A37-V39 HydrophobicContact CB-CG2 4.39Å
38K98.9Very high96.1Very high58 Ų5833.3 Ų33.325%0.25218%0.183SC..EExtended strand (participates in β ladder)trans-83.4128.5164.3-56.2-173.8-178.5-1430108.7R13 V14 A15 E71 F93R13-K38 PolarHBondContact O-N 3.05Å; V14-K38 CarbonylContact C-O 3.54Å; V14-K38 WeakPolarHBondContact CA-O 3.23Å; V14-K38 HydrophobicContact CG2-CB 4.19Å; A15-K38 PolarHBondContact N-O 3.25Å; K38-E71 WeakPolarHBondContact CA-O 3.41Å; K38-E71 HydrophobicContact CB-CB 4.42Å; K38-E71 VanDerWaalsContact CE-OE1 3.23Å; K38-E71 WeakPolarHBondContact CE-OE1 2.99Å; K38-E71 VanDerWaalsContact CE-OE2 3.31Å; K38-E71 WeakPolarHBondContact CE-OE2 3.43Å; K38-E71 HydrophobicContact CG-CB 4.06Å; K38-E71 IonicContact NZ-OE1 2.88Å; K38-E71 PolarHBondContact NZ-OE1 2.82Å; K38-E71 IonicContact NZ-OE2 3.83Å; K38-E71 PolarHBondContact NZ-OE2 3.46Å; K38-F93 HydrophobicContact CB-CD1 4.01Å; K38-F93 HydrophobicContact CB-CD2 3.97Å; K38-F93 HydrophobicContact CB-CE1 4Å; K38-F93 HydrophobicContact CB-CE2 3.95Å; K38-F93 HydrophobicContact CB-CG 3.99Å; K38-F93 HydrophobicContact CB-CZ 3.96Å; K38-F93 HydrophobicContact CD-CB 4.32Å; K38-F93 HydrophobicContact CD-CD1 3.59Å; K38-F93 HydrophobicContact CD-CE1 4.04Å; K38-F93 HydrophobicContact CD-CG 4.02Å; K38-F93 HydrophobicContact CG-CD1 4.36Å; K38-F93 HydrophobicContact CG-CE1 4.46Å
39V98.9Very high95.4Very high0 Ų034.3 Ų34.30%019%0.19CC..EExtended strand (participates in β ladder)trans-116.3127.6-167.4-174.20000112.3A15 A29 F32 A33 A37 V41 I65 E71 A72 V73A15-V39 CarbonylContact O-C 3.57Å; A15-V39 WeakPolarHBondContact O-CA 3.33Å; A29-V39 HydrophobicContact CB-CG1 3.88Å; F32-V39 HydrophobicContact CB-CG2 4.09Å; A33-V39 HydrophobicContact CB-CG2 3.92Å; A37-V39 HydrophobicContact CB-CG2 4.39Å; V39-V41 HydrophobicContact CG1-CG2 4.07Å; V39-I65 HydrophobicContact CB-CD1 4.3Å; V39-I65 HydrophobicContact CG1-CD1 4.38Å; V39-E71 PolarHBondContact N-O 2.83Å; V39-A72 HydrophobicContact CB-CB 4.32Å; V39-A72 CarbonylContact O-C 3.55Å; V39-A72 WeakPolarHBondContact O-CA 3.38Å; V39-A72 WeakPolarHBondContact O-CB 3.5Å; V39-V73 PolarHBondContact O-N 3.34Å
40V98.9Very high94.7Very high0 Ų035.6 Ų35.60%020%0.203CC..EExtended strand (participates in β ladder)trans-92.7115.2162.1-178.30000108.1A15 V16 V17 N42 V73 D75 T88 A89 F93A15-V40 PolarHBondContact O-N 3.29Å; V16-V40 HydrophobicContact CB-CB 4.45Å; V16-V40 HydrophobicContact CG1-CB 4.38Å; V16-V40 HydrophobicContact CG2-CB 4.06Å; V16-V40 HydrophobicContact CG2-CG2 4.16Å; V17-V40 PolarHBondContact N-O 3.38Å; V17-V40 VanDerWaalsContact N-O 3.08Å; V40-N42 PolarHBondContact O-N 3.07Å; V40-V73 WeakPolarHBondContact CA-O 3.37Å; V40-V73 HydrophobicContact CB-CG2 4.43Å; V40-V73 HydrophobicContact CG1-CG2 4.43Å; V40-V73 HydrophobicContact CG2-CG2 3.85Å; V40-D75 HydrophobicContact CG1-CB 3.75Å; V40-T88 HydrophobicContact CG1-CG2 3.99Å; V40-A89 HydrophobicContact CG2-CB 3.69Å; V40-F93 HydrophobicContact CG2-CD2 4.16Å; V40-F93 HydrophobicContact CG2-CE2 3.96Å
41V98.8Very high94.1Very high0 Ų038 Ų380%022%0.216CC..EExtended strand (participates in β ladder)trans-91.796.2175.7-1790000107.4A20 A29 V39 A58 V61 V62 I65 V73 D75A20-V41 HydrophobicContact CB-CB 4.46Å; A20-V41 HydrophobicContact CB-CG1 3.71Å; A29-V41 HydrophobicContact CB-CG2 4.34Å; V39-V41 HydrophobicContact CG1-CG2 4.07Å; V41-A58 HydrophobicContact CG1-CB 3.99Å; V41-V61 HydrophobicContact CG1-CB 4.01Å; V41-V61 HydrophobicContact CG1-CG1 4.17Å; V41-V61 HydrophobicContact CG2-CG1 4.09Å; V41-V62 HydrophobicContact CB-CG2 3.76Å; V41-V62 HydrophobicContact CG1-CG2 4.49Å; V41-V62 HydrophobicContact CG2-CG2 3.67Å; V41-I65 HydrophobicContact CG2-CD1 4.03Å; V41-V73 PolarHBondContact N-O 2.7Å; V41-D75 PolarHBondContact O-N 3.14Å
42N98.6Very high93.6Very high3 Ų339.9 Ų39.92%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-87.8123.7174.5165-94.7000110.3V17 T18 G19 A20 V40 D75 N77 V85V17-N42 PolarHBondContact O-N 3.43Å; T18-N42 CarbonylContact C-O 3.55Å; T18-N42 WeakPolarHBondContact CA-OD1 3.28Å; T18-N42 WeakPolarHBondContact CB-OD1 3.46Å; T18-N42 HydrophobicContact CG2-CB 4.31Å; G19-N42 WeakPolarHBondContact CA-O 3.26Å; G19-N42 PolarHBondContact N-O 2.92Å; A20-N42 PolarHBondContact N-O 2.93Å; V40-N42 PolarHBondContact O-N 3.07Å; N42-D75 VanDerWaalsContact CA-O 3.31Å; N42-D75 WeakPolarHBondContact CA-O 3.41Å; N42-D75 HydrophobicContact CB-CB 4.11Å; N42-D75 PolarHBondContact ND2-OD2 2.91Å; N42-N77 PolarHBondContact ND2-O 3.3Å; N42-V85 HydrophobicContact CB-CG1 3.97Å
43D97.5Very high92.9Very high25 Ų2543.5 Ų43.513%0.13427%0.27CS..  trans-155.4129.5167.6-151.7-60.1000110.8G19 A20 G21 G45 A57 A58 D75G19-D43 VanDerWaalsContact C-OD2 3.28Å; G19-D43 WeakPolarHBondContact CA-OD2 3.31Å; A20-D43 PolarHBondContact N-OD2 2.99Å; G21-D43 WeakPolarHBondContact CA-OD2 3.16Å; G21-D43 PolarHBondContact N-OD2 2.88Å; D43-G45 PolarHBondContact O-N 2.94Å; D43-G45 WeakPolarHBondContact OD1-CA 3.42Å; D43-G45 PolarHBondContact OD1-N 3.35Å; D43-A57 HydrophobicContact CB-CB 4.36Å; D43-A58 HydrophobicContact CB-CB 4.16Å; D43-D75 PolarHBondContact N-O 2.77Å
44L92.7Very high92.4Very high76 Ų7645.5 Ų45.540%0.39828%0.283SS..  trans-71.5-23.4174.2-172.564.1000111.3A53 S54 Y76L44-A53 HydrophobicContact CD1-CB 4.25Å; L44-A53 HydrophobicContact CG-CB 4.18Å; L44-A53 CarbonylContact O-C 3.51Å; L44-A53 WeakPolarHBondContact O-CA 3.44Å; L44-A53 WeakPolarHBondContact O-CB 3.43Å; L44-S54 PolarHBondContact O-N 3.18Å; L44-Y76 WeakPolarHBondContact CD1-O 3.39Å
45G88.9Confident92.1Very high16 Ų1645 Ų4517%0.16528%0.281CS..  trans7723.6-179.100000114.5D43 S54D43-G45 PolarHBondContact O-N 2.94Å; D43-G45 WeakPolarHBondContact OD1-CA 3.42Å; D43-G45 PolarHBondContact OD1-N 3.35Å; G45-S54 WeakPolarHBondContact CA-O 3.23Å; G45-S54 WeakPolarHBondContact O-CB 3.47Å; G45-S54 PolarHBondContact O-N 2.86Å
46G87Confident91.9Very high34 Ų3450.1 Ų50.135%0.35130%0.301SS..  trans-76169.9173.600000113.1D51 G52G46-D51 CarbonylContact C-O 3.28Å; G46-D51 VanDerWaalsContact CA-O 3.26Å; G46-D51 WeakPolarHBondContact CA-O 3.35Å; G46-G52 WeakPolarHBondContact CA-O 3.44Å
47T87.7Confident91.6Very high69 Ų6950.3 Ų50.342%0.42330%0.3SS..  trans-69.7171.5172.162.20000111.6S49 G50 D51T47-S49 PolarHBondContact O-N 3.49Å; T47-S49 VanDerWaalsContact O-N 3.09Å; T47-S49 PolarHBondContact OG1-N 3.11Å; T47-S49 PolarHBondContact OG1-OG 3.4Å; T47-G50 WeakPolarHBondContact O-CA 3.31Å; T47-G50 PolarHBondContact O-N 2.94Å; T47-G50 PolarHBondContact OG1-N 3.45Å; T47-D51 PolarHBondContact N-O 3.01Å; T47-D51 PolarHBondContact OG1-N 3.19Å; T47-D51 VanDerWaalsContact OG1-N 3.09Å; T47-D51 PolarHBondContact OG1-O 3.17Å
48H84.4Confident91.5Very high130 Ų13050.1 Ų50.160%0.60230%0.298SS*.THydrogen-bonded Turntrans-59.1-20.1171.870.3-82.4000113.5I105 L106H48-I105 CarbonylContact O-C 3.55Å; H48-I105 VanDerWaalsContact O-CA 3.28Å; H48-I105 WeakPolarHBondContact O-CA 3.38Å; H48-I105 WeakPolarHBondContact O-CB 3.39Å; H48-L106 PolarHBondContact O-N 3.37Å
49S84.9Confident91.5Very high22 Ų2249.8 Ų49.815%0.15430%0.299CS..THydrogen-bonded Turntrans-86.6-7.2172.353.20000113.3T47 D51 L106 R107T47-S49 PolarHBondContact O-N 3.49Å; T47-S49 VanDerWaalsContact O-N 3.09Å; T47-S49 PolarHBondContact OG1-N 3.11Å; T47-S49 PolarHBondContact OG1-OG 3.4Å; S49-D51 WeakPolarHBondContact CB-OD2 3.09Å; S49-D51 PolarHBondContact OG-OD2 3.45Å; S49-L106 WeakPolarHBondContact CA-O 3.36Å; S49-R107 PolarHBondContact O-NE 3.16Å; S49-R107 PolarHBondContact O-NH2 3.26Å
50G83.4Confident91.5Very high27 Ų2753.9 Ų53.928%0.27832%0.32SS..SBendtrans83.619.9-177.500000114.5T47T47-G50 WeakPolarHBondContact O-CA 3.31Å; T47-G50 PolarHBondContact O-N 2.94Å; T47-G50 PolarHBondContact OG1-N 3.45Å
51D86.5Confident91.4Very high81 Ų8153.9 Ų53.943%0.43332%0.32SS..  trans-92141.2175.6-56.6-60.4000110.9G46 T47 S49 R107G46-D51 CarbonylContact C-O 3.28Å; G46-D51 VanDerWaalsContact CA-O 3.26Å; G46-D51 WeakPolarHBondContact CA-O 3.35Å; T47-D51 PolarHBondContact N-O 3.01Å; T47-D51 PolarHBondContact OG1-N 3.19Å; T47-D51 VanDerWaalsContact OG1-N 3.09Å; T47-D51 PolarHBondContact OG1-O 3.17Å; S49-D51 WeakPolarHBondContact CB-OD2 3.09Å; S49-D51 PolarHBondContact OG-OD2 3.45Å; D51-R107 IonicContact OD1-CZ 2.88Å; D51-R107 IonicContact OD1-NH2 3.53Å; D51-R107 PolarHBondContact OD1-NH2 3.08Å; D51-R107 IonicContact OD2-CZ 3.83Å; D51-R107 IonicContact OD2-NH2 3.8Å; D51-R107 PolarHBondContact OD2-NH2 3.38Å
52G87.3Confident91.4Very high60 Ų6054 Ų5462%0.61932%0.321SS*.  trans77.4-17917600000114.9G46G46-G52 WeakPolarHBondContact CA-O 3.44Å
53A85Confident91.4Very high76 Ų7657.5 Ų57.563%0.62834%0.34SS*.  trans-151.3146.817600000109.9L44L44-A53 HydrophobicContact CD1-CB 4.25Å; L44-A53 HydrophobicContact CG-CB 4.18Å; L44-A53 CarbonylContact O-C 3.51Å; L44-A53 WeakPolarHBondContact O-CA 3.44Å; L44-A53 WeakPolarHBondContact O-CB 3.43Å
54S88.4Confident91.5Very high53 Ų5359.5 Ų59.537%0.37135%0.348SS..  trans-155.1116.8179.5-168.40000111.8L44 G45 R56 A57L44-S54 PolarHBondContact O-N 3.18Å; G45-S54 WeakPolarHBondContact CA-O 3.23Å; G45-S54 WeakPolarHBondContact O-CB 3.47Å; G45-S54 PolarHBondContact O-N 2.86Å; S54-R56 PolarHBondContact O-N 3.34Å; S54-A57 PolarHBondContact O-N 3.09Å
55Q91.3Very high91.8Very high118 Ų11856 Ų5655%0.55133%0.33SS*.Hα-helixtrans-58.9-30.7174.7-65.2-178.6-12.400112.3A57 A58 D59 Y76Q55-A57 PolarHBondContact O-N 2.77Å; Q55-A57 VanDerWaalsContact O-N 3.08Å; Q55-A58 PolarHBondContact O-N 3.04Å; Q55-A58 VanDerWaalsContact O-N 3.17Å; Q55-D59 VanDerWaalsContact O-CG 3.28Å; Q55-D59 PolarHBondContact O-N 2.62Å; Q55-D59 VanDerWaalsContact O-N 3.11Å; Q55-Y76 HydrophobicContact CB-CD1 3.82Å; Q55-Y76 HydrophobicContact CB-CE1 3.53Å; Q55-Y76 HydrophobicContact CB-CG 4.41Å; Q55-Y76 HydrophobicContact CG-CD1 3.74Å; Q55-Y76 HydrophobicContact CG-CD2 4.02Å; Q55-Y76 HydrophobicContact CG-CE1 3.83Å; Q55-Y76 HydrophobicContact CG-CE2 4.13Å; Q55-Y76 HydrophobicContact CG-CG 3.82Å
56R93.5Very high92.2Very high179 Ų17961.4 Ų61.468%0.67535%0.345SS*.Hα-helixtrans-56-31.2-176.4-171.6175.1-178.8177.21.1113.6S54 I60S54-R56 PolarHBondContact O-N 3.34Å; R56-I60 HydrophobicContact CG-CD1 3.75Å; R56-I60 HydrophobicContact CG-CG1 4.12Å; R56-I60 WeakPolarHBondContact O-CD1 3.35Å; R56-I60 VanDerWaalsContact O-CG1 3.24Å; R56-I60 WeakPolarHBondContact O-CG1 3.36Å; R56-I60 PolarHBondContact O-N 2.77Å; R56-I60 VanDerWaalsContact O-N 3.12Å
57A92.7Very high92.8Very high26 Ų2668.3 Ų68.322%0.21537%0.365CS..Hα-helixtrans-62.8-48.3-179.500000111.5G21 D43 S54 Q55G21-A57 VanDerWaalsContact CA-O 3.23Å; G21-A57 WeakPolarHBondContact CA-O 3.33Å; D43-A57 HydrophobicContact CB-CB 4.36Å; S54-A57 PolarHBondContact O-N 3.09Å; Q55-A57 PolarHBondContact O-N 2.77Å; Q55-A57 VanDerWaalsContact O-N 3.08Å
58A97.1Very high93.3Very high0 Ų069.4 Ų69.40%038%0.382CS..Hα-helixtrans-71.8-41.2176.300000111.8V41 D43 Q55 I60 V61 V62 A74 Y76V41-A58 HydrophobicContact CG1-CB 3.99Å; D43-A58 HydrophobicContact CB-CB 4.16Å; Q55-A58 PolarHBondContact O-N 3.04Å; Q55-A58 VanDerWaalsContact O-N 3.17Å; A58-I60 PolarHBondContact O-N 3.31Å; A58-V61 PolarHBondContact O-N 2.9Å; A58-V62 WeakPolarHBondContact O-CG2 3.5Å; A58-V62 PolarHBondContact O-N 3.45Å; A58-A74 HydrophobicContact CB-CB 3.9Å; A58-Y76 HydrophobicContact CB-CD1 4.25Å; A58-Y76 HydrophobicContact CB-CE1 4.09Å
59D98.1Very high93.9Very high51 Ų5166.5 Ų66.527%0.27339%0.387SS..Hα-helixtrans-60.5-41.8-176.1-65.6-23.7000112.9Q55 V61 V62 D63 A74 Y76Q55-D59 VanDerWaalsContact O-CG 3.28Å; Q55-D59 PolarHBondContact O-N 2.62Å; Q55-D59 VanDerWaalsContact O-N 3.11Å; D59-V61 VanDerWaalsContact C-N 3.27Å; D59-V61 PolarHBondContact O-N 3.26Å; D59-V62 PolarHBondContact O-N 3.33Å; D59-D63 WeakPolarHBondContact O-CB 2.95Å; D59-D63 PolarHBondContact O-N 2.88Å; D59-A74 WeakPolarHBondContact OD1-CB 3.28Å; D59-Y76 WeakPolarHBondContact OD1-CE1 3.23Å; D59-Y76 PolarHBondContact OD1-OH 2.96Å
60I97.8Very high94.6Very high85 Ų8566.5 Ų66.544%0.43639%0.39SS..Hα-helixtrans-57.1-43.7178.6-73.9168.2000111R56 A58 E64R56-I60 HydrophobicContact CG-CD1 3.75Å; R56-I60 HydrophobicContact CG-CG1 4.12Å; R56-I60 WeakPolarHBondContact O-CD1 3.35Å; R56-I60 VanDerWaalsContact O-CG1 3.24Å; R56-I60 WeakPolarHBondContact O-CG1 3.36Å; R56-I60 PolarHBondContact O-N 2.77Å; R56-I60 VanDerWaalsContact O-N 3.12Å; A58-I60 PolarHBondContact O-N 3.31Å; I60-E64 WeakPolarHBondContact O-CB 3.41Å; I60-E64 PolarHBondContact O-N 3.37Å
61V98.4Very high95.3Very high0 Ų070.1 Ų70.10%040%0.4CS..Hα-helixtrans-73.7-38.5-177.8-179.50000110.8R26 A29 L30 V41 A58 D59 E64 I65R26-V61 HydrophobicContact CB-CG2 4.33Å; R26-V61 HydrophobicContact CG-CG1 4.19Å; R26-V61 HydrophobicContact CG-CG2 3.78Å; A29-V61 HydrophobicContact CB-CG1 4.28Å; L30-V61 HydrophobicContact CD2-CG1 4.47Å; V41-V61 HydrophobicContact CG1-CB 4.01Å; V41-V61 HydrophobicContact CG1-CG1 4.17Å; V41-V61 HydrophobicContact CG2-CG1 4.09Å; A58-V61 PolarHBondContact O-N 2.9Å; D59-V61 VanDerWaalsContact C-N 3.27Å; D59-V61 PolarHBondContact O-N 3.26Å; V61-E64 PolarHBondContact O-N 2.92Å; V61-I65 HydrophobicContact CG1-CD1 4.13Å; V61-I65 WeakPolarHBondContact O-CG1 3.37Å; V61-I65 PolarHBondContact O-N 2.82Å
62V98.8Very high95.9Very high3 Ų366.4 Ų66.42%0.01838%0.381CS..Hα-helixtrans-61.7-45174170.20000111.4V41 A58 D59 E64 I65 R66 A72 A74V41-V62 HydrophobicContact CB-CG2 3.76Å; V41-V62 HydrophobicContact CG1-CG2 4.49Å; V41-V62 HydrophobicContact CG2-CG2 3.67Å; A58-V62 WeakPolarHBondContact O-CG2 3.5Å; A58-V62 PolarHBondContact O-N 3.45Å; D59-V62 PolarHBondContact O-N 3.33Å; V62-E64 VanDerWaalsContact C-N 3.32Å; V62-E64 PolarHBondContact O-N 3.01Å; V62-I65 PolarHBondContact O-N 3.19Å; V62-R66 HydrophobicContact CG1-CG 4.45Å; V62-R66 VanDerWaalsContact CG1-CZ 3.48Å; V62-R66 WeakPolarHBondContact O-CB 3.41Å; V62-R66 WeakPolarHBondContact O-CG 3.32Å; V62-R66 PolarHBondContact O-N 2.89Å; V62-A72 HydrophobicContact CB-CB 4.46Å; V62-A72 HydrophobicContact CG1-CB 4.18Å; V62-A72 HydrophobicContact CG2-CB 4.21Å; V62-A74 HydrophobicContact CG2-CB 3.95Å
63D98.6Very high96.4Very high76 Ų7665 Ų6541%0.40636%0.36SS..Hα-helixtrans-63.2-39.3177.4-79.4-10.4000111.7D59 R66 K67D59-D63 WeakPolarHBondContact O-CB 2.95Å; D59-D63 PolarHBondContact O-N 2.88Å; D63-R66 PolarHBondContact O-N 2.97Å; D63-K67 VanDerWaalsContact O-CB 3.27Å; D63-K67 WeakPolarHBondContact O-CB 3.38Å; D63-K67 WeakPolarHBondContact O-CD 3.42Å; D63-K67 WeakPolarHBondContact O-CG 3.15Å; D63-K67 PolarHBondContact O-N 3.04Å
64E98.6Very high97.1Very high68 Ų6862.4 Ų62.432%0.31834%0.339SS..Hα-helixtrans-63.9-46.2175.3-173.6174.3170.400112R26 L30 I60 V61 V62 R66 K67 A68R26-E64 IonicContact CZ-OE1 3.33Å; R26-E64 IonicContact CZ-OE2 3.99Å; R26-E64 IonicContact NE-OE2 3.61Å; R26-E64 IonicContact NH2-OE1 2.85Å; R26-E64 PolarHBondContact NH2-OE1 2.83Å; R26-E64 IonicContact NH2-OE2 2.77Å; R26-E64 PolarHBondContact NH2-OE2 3.32Å; L30-E64 HydrophobicContact CD2-CB 4.36Å; L30-E64 HydrophobicContact CD2-CG 3.92Å; I60-E64 WeakPolarHBondContact O-CB 3.41Å; I60-E64 PolarHBondContact O-N 3.37Å; V61-E64 PolarHBondContact O-N 2.92Å; V62-E64 VanDerWaalsContact C-N 3.32Å; V62-E64 PolarHBondContact O-N 3.01Å; E64-R66 PolarHBondContact O-N 3.09Å; E64-K67 PolarHBondContact O-N 3.44Å; E64-A68 WeakPolarHBondContact O-CB 3.41Å; E64-A68 PolarHBondContact O-N 3.28Å
65I98.8Very high97.6Very high2 Ų260 Ų601%0.0132%0.322CS..Hα-helixtrans-58.2-48.5175.1-71.1168.8000110.7A29 L30 A33 V39 V41 V61 V62 A68 G69 G70 A72A29-I65 HydrophobicContact CB-CD1 4.31Å; L30-I65 HydrophobicContact CD2-CG1 3.77Å; A33-I65 HydrophobicContact CB-CB 4.28Å; A33-I65 HydrophobicContact CB-CD1 4.07Å; A33-I65 HydrophobicContact CB-CG1 3.89Å; A33-I65 HydrophobicContact CB-CG2 3.48Å; A33-I65 VanDerWaalsContact CB-CG2 3.48Å; V39-I65 HydrophobicContact CB-CD1 4.3Å; V39-I65 HydrophobicContact CG1-CD1 4.38Å; V41-I65 HydrophobicContact CG2-CD1 4.03Å; V61-I65 HydrophobicContact CG1-CD1 4.13Å; V61-I65 WeakPolarHBondContact O-CG1 3.37Å; V61-I65 PolarHBondContact O-N 2.82Å; V62-I65 PolarHBondContact O-N 3.19Å; I65-A68 CarbonylContact O-C 3.56Å; I65-A68 PolarHBondContact O-N 3.37Å; I65-G69 PolarHBondContact O-N 3.4Å; I65-G70 PolarHBondContact O-N 2.57Å; I65-A72 HydrophobicContact CB-CB 3.99Å; I65-A72 HydrophobicContact CD1-CB 3.89Å; I65-A72 HydrophobicContact CG2-CB 3.66Å
66R98.6Very high97.8Very high130 Ų13058.3 Ų58.349%0.49131%0.311SS..Hα-helixtrans-65.8-39.5-179.3-72.2172.4177.7174.2-3.1112.3V62 D63 E64 A68 G69 G70 A72V62-R66 HydrophobicContact CG1-CG 4.45Å; V62-R66 VanDerWaalsContact CG1-CZ 3.48Å; V62-R66 WeakPolarHBondContact O-CB 3.41Å; V62-R66 WeakPolarHBondContact O-CG 3.32Å; V62-R66 PolarHBondContact O-N 2.89Å; D63-R66 PolarHBondContact O-N 2.97Å; E64-R66 PolarHBondContact O-N 3.09Å; R66-A68 PolarHBondContact O-N 3.26Å; R66-G69 PolarHBondContact O-N 3.08Å; R66-G70 WeakPolarHBondContact CA-O 3.25Å; R66-A72 VanDerWaalsContact CZ-O 3.22Å; R66-A72 PolarHBondContact NE-O 3.08Å; R66-A72 PolarHBondContact NH2-O 2.61Å
67K98.4Very high98Very high178 Ų17852.1 Ų52.177%0.77429%0.291SS*.Hα-helixtrans-62.6-32.5173.9-77.1167.9-174.4168.80112.2D63 E64 G69D63-K67 VanDerWaalsContact O-CB 3.27Å; D63-K67 WeakPolarHBondContact O-CB 3.38Å; D63-K67 WeakPolarHBondContact O-CD 3.42Å; D63-K67 WeakPolarHBondContact O-CG 3.15Å; D63-K67 PolarHBondContact O-N 3.04Å; E64-K67 PolarHBondContact O-N 3.44Å; K67-G69 PolarHBondContact O-N 3.27Å
68A98.2Very high98.2Very high92 Ų9252.4 Ų52.476%0.7629%0.291SS*.THydrogen-bonded Turntrans-80.21.3173.300000113.8E64 I65 R66E64-A68 WeakPolarHBondContact O-CB 3.41Å; E64-A68 PolarHBondContact O-N 3.28Å; I65-A68 CarbonylContact O-C 3.56Å; I65-A68 PolarHBondContact O-N 3.37Å; R66-A68 PolarHBondContact O-N 3.26Å
69G98.1Very high98.3Very high70 Ų7052.8 Ų52.872%0.72229%0.294SS*.THydrogen-bonded Turntrans88.96.7178.300000115.3I65 R66 K67I65-G69 PolarHBondContact O-N 3.4Å; R66-G69 PolarHBondContact O-N 3.08Å; K67-G69 PolarHBondContact O-N 3.27Å
70G98.4Very high98.3Very high21 Ų2152.7 Ų52.722%0.21629%0.293CS..  trans-84.6168175.600000113.8I65 R66I65-G70 PolarHBondContact O-N 2.57Å; R66-G70 WeakPolarHBondContact CA-O 3.25Å
71E98.7Very high98.3Very high103 Ų10352.1 Ų52.148%0.48129%0.291SS..  trans-103.7118.5175.5-72.2-179.7-105.600110.4K38 V39K38-E71 WeakPolarHBondContact CA-O 3.41Å; K38-E71 HydrophobicContact CB-CB 4.42Å; K38-E71 VanDerWaalsContact CE-OE1 3.23Å; K38-E71 WeakPolarHBondContact CE-OE1 2.99Å; K38-E71 VanDerWaalsContact CE-OE2 3.31Å; K38-E71 WeakPolarHBondContact CE-OE2 3.43Å; K38-E71 HydrophobicContact CG-CB 4.06Å; K38-E71 IonicContact NZ-OE1 2.88Å; K38-E71 PolarHBondContact NZ-OE1 2.82Å; K38-E71 IonicContact NZ-OE2 3.83Å; K38-E71 PolarHBondContact NZ-OE2 3.46Å; V39-E71 PolarHBondContact N-O 2.83Å
72A98.8Very high98.3Very high4 Ų452.1 Ų52.13%0.03329%0.291CS..EExtended strand (participates in β ladder)trans-143.7155.5175.500000113.5V39 V62 I65 R66V39-A72 HydrophobicContact CB-CB 4.32Å; V39-A72 CarbonylContact O-C 3.55Å; V39-A72 WeakPolarHBondContact O-CA 3.38Å; V39-A72 WeakPolarHBondContact O-CB 3.5Å; V62-A72 HydrophobicContact CB-CB 4.46Å; V62-A72 HydrophobicContact CG1-CB 4.18Å; V62-A72 HydrophobicContact CG2-CB 4.21Å; I65-A72 HydrophobicContact CB-CB 3.99Å; I65-A72 HydrophobicContact CD1-CB 3.89Å; I65-A72 HydrophobicContact CG2-CB 3.66Å; R66-A72 VanDerWaalsContact CZ-O 3.22Å; R66-A72 PolarHBondContact NE-O 3.08Å; R66-A72 PolarHBondContact NH2-O 2.61Å
73V98.7Very high98.3Very high30 Ų3055.3 Ų55.318%0.18232%0.318CS..EExtended strand (participates in β ladder)trans-132.9146.1169.9-62.10000110.2V39 V40 V41 T88 A92 F93V39-V73 PolarHBondContact O-N 3.34Å; V40-V73 WeakPolarHBondContact CA-O 3.37Å; V40-V73 HydrophobicContact CB-CG2 4.43Å; V40-V73 HydrophobicContact CG1-CG2 4.43Å; V40-V73 HydrophobicContact CG2-CG2 3.85Å; V41-V73 PolarHBondContact N-O 2.7Å; V73-T88 HydrophobicContact CG2-CG2 3.96Å; V73-A92 HydrophobicContact CB-CB 4.4Å; V73-A92 HydrophobicContact CG1-CB 3.87Å; V73-A92 HydrophobicContact CG2-CB 3.75Å; V73-F93 HydrophobicContact CB-CZ 4.49Å; V73-F93 HydrophobicContact CG1-CE1 4.45Å; V73-F93 HydrophobicContact CG1-CZ 3.92Å; V73-F93 HydrophobicContact CG2-CE2 3.81Å; V73-F93 HydrophobicContact CG2-CZ 4.04Å
74A98.6Very high98.3Very high22 Ų2256.1 Ų56.118%0.18232%0.318CS..EExtended strand (participates in β ladder)trans-84.3145176.300000110.3A58 D59 V62 Y76A58-A74 HydrophobicContact CB-CB 3.9Å; D59-A74 WeakPolarHBondContact OD1-CB 3.28Å; V62-A74 HydrophobicContact CG2-CB 3.95Å; A74-Y76 HydrophobicContact CB-CD1 4.47Å; A74-Y76 HydrophobicContact CB-CE1 3.59Å; A74-Y76 WeakPolarHBondContact CB-OH 3.42Å
75D98.6Very high98.3Very high2 Ų252.9 Ų52.91%0.01130%0.302CS..EExtended strand (participates in β ladder)trans-128.5130.5168-178.679.9000109.6V40 V41 N42 D43 N77 T88V40-D75 HydrophobicContact CG1-CB 3.75Å; V41-D75 PolarHBondContact O-N 3.14Å; N42-D75 VanDerWaalsContact CA-O 3.31Å; N42-D75 WeakPolarHBondContact CA-O 3.41Å; N42-D75 HydrophobicContact CB-CB 4.11Å; N42-D75 PolarHBondContact ND2-OD2 2.91Å; D43-D75 PolarHBondContact N-O 2.77Å; D75-N77 PolarHBondContact OD1-ND2 2.9Å; D75-N77 WeakPolarHBondContact OD2-CB 3.46Å; D75-N77 PolarHBondContact OD2-N 3.46Å; D75-N77 VanDerWaalsContact OD2-N 3.14Å; D75-T88 HydrophobicContact CB-CG2 3.98Å; D75-T88 WeakPolarHBondContact OD1-CB 3.34Å; D75-T88 PolarHBondContact OD1-OG1 3.04Å
76Y97.3Very high98.3Very high83 Ų8352.9 Ų52.933%0.32530%0.302SS..  trans-110.69.2-174.8-41.2-65.6000112.6L44 Q55 A58 D59 A74L44-Y76 WeakPolarHBondContact CD1-O 3.39Å; Q55-Y76 HydrophobicContact CB-CD1 3.82Å; Q55-Y76 HydrophobicContact CB-CE1 3.53Å; Q55-Y76 HydrophobicContact CB-CG 4.41Å; Q55-Y76 HydrophobicContact CG-CD1 3.74Å; Q55-Y76 HydrophobicContact CG-CD2 4.02Å; Q55-Y76 HydrophobicContact CG-CE1 3.83Å; Q55-Y76 HydrophobicContact CG-CE2 4.13Å; Q55-Y76 HydrophobicContact CG-CG 3.82Å; A58-Y76 HydrophobicContact CB-CD1 4.25Å; A58-Y76 HydrophobicContact CB-CE1 4.09Å; D59-Y76 WeakPolarHBondContact OD1-CE1 3.23Å; D59-Y76 PolarHBondContact OD1-OH 2.96Å; A74-Y76 HydrophobicContact CB-CD1 4.47Å; A74-Y76 HydrophobicContact CB-CE1 3.59Å; A74-Y76 WeakPolarHBondContact CB-OH 3.42Å
77N97.4Very high98.3Very high48 Ų4851 Ų5126%0.25730%0.299SS..  trans-76.7148.2-176.7-67.6-71.8000110.5N42 D75 K84 V85N42-N77 PolarHBondContact ND2-O 3.3Å; D75-N77 PolarHBondContact OD1-ND2 2.9Å; D75-N77 WeakPolarHBondContact OD2-CB 3.46Å; D75-N77 PolarHBondContact OD2-N 3.46Å; D75-N77 VanDerWaalsContact OD2-N 3.14Å; N77-K84 HydrophobicContact CB-CB 4.05Å; N77-K84 WeakPolarHBondContact OD1-CD 3.3Å; N77-V85 HydrophobicContact CB-CG2 3.92Å
78S97Very high98.3Very high32 Ų3244 Ų4422%0.22427%0.271CS..  trans-64.3140.6168176.50000109.9I80 D81S78-I80 PolarHBondContact O-N 3.32Å; S78-I80 VanDerWaalsContact O-N 3.14Å; S78-I80 PolarHBondContact OG-N 2.85Å; S78-D81 CarbonylContact O-C 3.57Å; S78-D81 WeakPolarHBondContact O-CA 3.43Å; S78-D81 WeakPolarHBondContact O-CB 3.1Å; S78-D81 PolarHBondContact O-N 2.97Å
79V98.3Very high98.4Very high9 Ų939.6 Ų39.66%0.05524%0.235CC..G310 helixtrans-60.9-21.4175-67.90000113.3T18 D81 G82 A103 V125 G129T18-V79 HydrophobicContact CG2-CG1 3.81Å; V79-D81 PolarHBondContact O-N 3.25Å; V79-G82 WeakPolarHBondContact O-CA 3.48Å; V79-G82 PolarHBondContact O-N 2.95Å; V79-G82 VanDerWaalsContact O-N 3.13Å; V79-A103 HydrophobicContact CG1-CB 3.75Å; V79-A103 HydrophobicContact CG2-CB 4.34Å; V79-V125 HydrophobicContact CG2-CG1 4.37Å; V79-V125 WeakPolarHBondContact CG2-O 3.39Å; V79-G129 WeakPolarHBondContact O-CA 3.44Å
80I97.8Very high98.4Very high48 Ų4838.1 Ų38.125%0.24621%0.21CC..G310 helixtrans-64.7-31.1172.7-56.5165.3000110.5S78 G82 D124 K128S78-I80 PolarHBondContact O-N 3.32Å; S78-I80 VanDerWaalsContact O-N 3.14Å; S78-I80 PolarHBondContact OG-N 2.85Å; I80-G82 PolarHBondContact O-N 3.02Å; I80-D124 HydrophobicContact CD1-CB 3.7Å; I80-D124 HydrophobicContact CG1-CB 4.2Å; I80-K128 HydrophobicContact CG2-CD 4.4Å
81D98.2Very high98.4Very high73 Ų7344.4 Ų44.439%0.3923%0.231SC..G310 helixtrans-88.342.8170.3-73.4-21000111.2S78 V79 A83 K84 V85S78-D81 CarbonylContact O-C 3.57Å; S78-D81 WeakPolarHBondContact O-CA 3.43Å; S78-D81 WeakPolarHBondContact O-CB 3.1Å; S78-D81 PolarHBondContact O-N 2.97Å; V79-D81 PolarHBondContact O-N 3.25Å; D81-A83 PolarHBondContact O-N 2.96Å; D81-K84 HydrophobicContact CB-CB 4.44Å; D81-K84 HydrophobicContact CB-CD 3.98Å; D81-K84 HydrophobicContact CB-CG 4.27Å; D81-K84 WeakPolarHBondContact O-CB 3.31Å; D81-K84 PolarHBondContact O-N 2.95Å; D81-K84 IonicContact OD2-NZ 3.44Å; D81-K84 PolarHBondContact OD2-NZ 2.97Å; D81-V85 PolarHBondContact O-N 3.38Å
82G98.5Very high98.4Very high1 Ų141.7 Ų41.71%0.0123%0.227CC..Hα-helixtrans-52.4-26.6-171.100000115.5V79 I80 K84 V85 I86 C133V79-G82 WeakPolarHBondContact O-CA 3.48Å; V79-G82 PolarHBondContact O-N 2.95Å; V79-G82 VanDerWaalsContact O-N 3.13Å; I80-G82 PolarHBondContact O-N 3.02Å; G82-K84 PolarHBondContact O-N 3.2Å; G82-V85 PolarHBondContact O-N 3.33Å; G82-I86 WeakPolarHBondContact O-CG1 3.43Å; G82-I86 PolarHBondContact O-N 3.37Å; G82-C133 VanDerWaalsContact CA-SG 3.59Å
83A98.8Very high98.4Very high70 Ų7043.3 Ų43.358%0.57923%0.233SC*.Hα-helixtrans-59.8-40.7171.900000113.2D81 E87 A136D81-A83 PolarHBondContact O-N 2.96Å; A83-E87 VanDerWaalsContact O-CB 3.27Å; A83-E87 WeakPolarHBondContact O-CB 3.37Å; A83-E87 PolarHBondContact O-N 3.37Å; A83-A136 HydrophobicContact CB-CB 4.35Å
84K98.8Very high98.4Very high93 Ų9344.6 Ų44.640%0.40425%0.253SS..Hα-helixtrans-69-39.4177.1-61.9-179.1-171.9157.70111.4N77 D81 G82 I86 E87 T88N77-K84 HydrophobicContact CB-CB 4.05Å; N77-K84 WeakPolarHBondContact OD1-CD 3.3Å; D81-K84 HydrophobicContact CB-CB 4.44Å; D81-K84 HydrophobicContact CB-CD 3.98Å; D81-K84 HydrophobicContact CB-CG 4.27Å; D81-K84 WeakPolarHBondContact O-CB 3.31Å; D81-K84 PolarHBondContact O-N 2.95Å; D81-K84 IonicContact OD2-NZ 3.44Å; D81-K84 PolarHBondContact OD2-NZ 2.97Å; G82-K84 PolarHBondContact O-N 3.2Å; K84-I86 VanDerWaalsContact C-N 3.35Å; K84-I86 PolarHBondContact O-N 3.21Å; K84-E87 WeakPolarHBondContact O-CB 3.33Å; K84-E87 PolarHBondContact O-N 2.81Å; K84-T88 PolarHBondContact O-N 3.13Å; K84-T88 VanDerWaalsContact O-N 3.08Å; K84-T88 PolarHBondContact O-OG1 3.03Å
85V98.8Very high98.4Very high0 Ų047.5 Ų47.50%026%0.259CS..Hα-helixtrans-59-47.5176-177.60000110.5V16 T18 N42 N77 D81 G82 T88V16-V85 HydrophobicContact CG1-CG1 3.89Å; T18-V85 HydrophobicContact CG2-CG1 4.45Å; N42-V85 HydrophobicContact CB-CG1 3.97Å; N77-V85 HydrophobicContact CB-CG2 3.92Å; D81-V85 PolarHBondContact O-N 3.38Å; G82-V85 PolarHBondContact O-N 3.33Å; V85-T88 WeakPolarHBondContact O-CB 3.35Å; V85-T88 PolarHBondContact O-N 2.76Å
86I98.9Very high98.4Very high2 Ų247.4 Ų47.41%0.0126%0.258CS..Hα-helixtrans-70.2-36.2177.7-60.8-50.8000111.6V16 G82 K84 T88 A89 I90 V96 L99 A136 A137 Y140V16-I86 HydrophobicContact CG1-CD1 4.38Å; V16-I86 HydrophobicContact CG2-CD1 4.35Å; G82-I86 WeakPolarHBondContact O-CG1 3.43Å; G82-I86 PolarHBondContact O-N 3.37Å; K84-I86 VanDerWaalsContact C-N 3.35Å; K84-I86 PolarHBondContact O-N 3.21Å; I86-T88 PolarHBondContact O-N 3.47Å; I86-A89 WeakPolarHBondContact O-CB 3.44Å; I86-A89 PolarHBondContact O-N 3.2Å; I86-I90 HydrophobicContact CG2-CG1 4.32Å; I86-I90 WeakPolarHBondContact O-CG1 3.35Å; I86-I90 PolarHBondContact O-N 2.86Å; I86-I90 VanDerWaalsContact O-N 3.09Å; I86-V96 HydrophobicContact CG2-CG1 4.18Å; I86-L99 HydrophobicContact CD1-CD1 4.32Å; I86-A136 HydrophobicContact CB-CB 4Å; I86-A136 HydrophobicContact CG1-CB 3.68Å; I86-A137 HydrophobicContact CD1-CB 3.83Å; I86-A137 HydrophobicContact CG1-CB 4.07Å; I86-Y140 HydrophobicContact CG2-CD2 4.13Å; I86-Y140 HydrophobicContact CG2-CE2 4.08Å
87E98.8Very high98.5Very high89 Ų8943.4 Ų43.442%0.41624%0.243SC..Hα-helixtrans-57.6-36175.4-169.6-175.8-162.400112A83 K84 A89 I90 K91A83-E87 VanDerWaalsContact O-CB 3.27Å; A83-E87 WeakPolarHBondContact O-CB 3.37Å; A83-E87 PolarHBondContact O-N 3.37Å; K84-E87 WeakPolarHBondContact O-CB 3.33Å; K84-E87 PolarHBondContact O-N 2.81Å; E87-A89 VanDerWaalsContact C-N 3.34Å; E87-A89 PolarHBondContact O-N 2.97Å; E87-I90 PolarHBondContact O-N 3.45Å; E87-K91 VanDerWaalsContact CD-CE 3.41Å; E87-K91 HydrophobicContact CG-CD 3.98Å; E87-K91 HydrophobicContact CG-CG 4.23Å; E87-K91 WeakPolarHBondContact O-CB 3.35Å; E87-K91 WeakPolarHBondContact O-CG 3.16Å; E87-K91 PolarHBondContact O-N 2.85Å; E87-K91 WeakPolarHBondContact OE1-CE 3.29Å; E87-K91 IonicContact OE1-NZ 3.37Å; E87-K91 PolarHBondContact OE1-NZ 3.37Å; E87-K91 IonicContact OE2-NZ 2.75Å; E87-K91 PolarHBondContact OE2-NZ 3.38Å
88T98.8Very high98.6Very high31 Ų3141.1 Ų41.119%0.1923%0.23CC..Hα-helixtrans-59.2-42.6173.7-62.80000112.2V40 V73 D75 K84 V85 I86 A92V40-T88 HydrophobicContact CG1-CG2 3.99Å; V73-T88 HydrophobicContact CG2-CG2 3.96Å; D75-T88 HydrophobicContact CB-CG2 3.98Å; D75-T88 WeakPolarHBondContact OD1-CB 3.34Å; D75-T88 PolarHBondContact OD1-OG1 3.04Å; K84-T88 PolarHBondContact O-N 3.13Å; K84-T88 VanDerWaalsContact O-N 3.08Å; K84-T88 PolarHBondContact O-OG1 3.03Å; V85-T88 WeakPolarHBondContact O-CB 3.35Å; V85-T88 PolarHBondContact O-N 2.76Å; I86-T88 PolarHBondContact O-N 3.47Å; T88-A92 VanDerWaalsContact O-CB 3.26Å; T88-A92 WeakPolarHBondContact O-CB 3.49Å; T88-A92 PolarHBondContact O-N 3.07Å
89A98.8Very high98.7Very high0 Ų039.6 Ų39.60%022%0.22CC..Hα-helixtrans-64.1-43.8175.600000112.1V14 V16 V40 I86 E87 F93 G94 V96V14-A89 HydrophobicContact CG1-CB 4.18Å; V16-A89 HydrophobicContact CG2-CB 3.64Å; V40-A89 HydrophobicContact CG2-CB 3.69Å; I86-A89 WeakPolarHBondContact O-CB 3.44Å; I86-A89 PolarHBondContact O-N 3.2Å; E87-A89 VanDerWaalsContact C-N 3.34Å; E87-A89 PolarHBondContact O-N 2.97Å; A89-F93 WeakPolarHBondContact O-CA 3.38Å; A89-F93 PolarHBondContact O-N 2.84Å; A89-G94 PolarHBondContact O-N 2.88Å; A89-V96 HydrophobicContact CB-CB 4.43Å
90I98.8Very high98.7Very high39 Ų3939.2 Ų39.220%0.222%0.217CC..Hα-helixtrans-66.5-43.7179.8-59.5-55.6000111.2I86 E87 G94 V96 Y140I86-I90 HydrophobicContact CG2-CG1 4.32Å; I86-I90 WeakPolarHBondContact O-CG1 3.35Å; I86-I90 PolarHBondContact O-N 2.86Å; I86-I90 VanDerWaalsContact O-N 3.09Å; E87-I90 PolarHBondContact O-N 3.45Å; I90-G94 WeakPolarHBondContact O-CA 3.26Å; I90-G94 PolarHBondContact O-N 3.41Å; I90-V96 HydrophobicContact CD1-CG1 4.36Å; I90-Y140 HydrophobicContact CD1-CD1 3.67Å; I90-Y140 HydrophobicContact CD1-CD2 4.18Å; I90-Y140 HydrophobicContact CD1-CE1 3.75Å; I90-Y140 HydrophobicContact CD1-CE2 4.25Å; I90-Y140 HydrophobicContact CD1-CG 3.9Å; I90-Y140 HydrophobicContact CG1-CD1 4.34Å; I90-Y140 HydrophobicContact CG1-CD2 4.44Å; I90-Y140 HydrophobicContact CG1-CE1 3.94Å; I90-Y140 HydrophobicContact CG1-CE2 4.05Å; I90-Y140 HydrophobicContact CG2-CE1 4.44Å
91K98.7Very high98.7Very high153 Ų15337 Ų3767%0.66521%0.206SC*.Hα-helixtrans-66.6-41.3178.4-75.8176.5178.2162.10112.6E87E87-K91 VanDerWaalsContact CD-CE 3.41Å; E87-K91 HydrophobicContact CG-CD 3.98Å; E87-K91 HydrophobicContact CG-CG 4.23Å; E87-K91 WeakPolarHBondContact O-CB 3.35Å; E87-K91 WeakPolarHBondContact O-CG 3.16Å; E87-K91 PolarHBondContact O-N 2.85Å; E87-K91 WeakPolarHBondContact OE1-CE 3.29Å; E87-K91 IonicContact OE1-NZ 3.37Å; E87-K91 PolarHBondContact OE1-NZ 3.37Å; E87-K91 IonicContact OE2-NZ 2.75Å; E87-K91 PolarHBondContact OE2-NZ 3.38Å
92A98.6Very high98.8Very high46 Ų4634.5 Ų34.538%0.3819%0.192SC..Hα-helixtrans-78.8-38.9-17700000113.1V73 T88V73-A92 HydrophobicContact CB-CB 4.4Å; V73-A92 HydrophobicContact CG1-CB 3.87Å; V73-A92 HydrophobicContact CG2-CB 3.75Å; T88-A92 VanDerWaalsContact O-CB 3.26Å; T88-A92 WeakPolarHBondContact O-CB 3.49Å; T88-A92 PolarHBondContact O-N 3.07Å
93F98.7Very high98.7Very high39 Ų3935 Ų3517%0.17120%0.197CC..Hα-helixtrans-132-6-166.7-53.2-51.3000114.8V14 K38 V40 V73 A89 R95V14-F93 HydrophobicContact CG1-CB 4.23Å; V14-F93 HydrophobicContact CG1-CD2 3.73Å; V14-F93 HydrophobicContact CG1-CG 4.4Å; V14-F93 HydrophobicContact CG2-CB 3.46Å; V14-F93 VanDerWaalsContact CG2-CB 3.46Å; V14-F93 HydrophobicContact CG2-CD2 4.24Å; V14-F93 HydrophobicContact CG2-CG 4.12Å; K38-F93 HydrophobicContact CB-CD1 4.01Å; K38-F93 HydrophobicContact CB-CD2 3.97Å; K38-F93 HydrophobicContact CB-CE1 4Å; K38-F93 HydrophobicContact CB-CE2 3.95Å; K38-F93 HydrophobicContact CB-CG 3.99Å; K38-F93 HydrophobicContact CB-CZ 3.96Å; K38-F93 HydrophobicContact CD-CB 4.32Å; K38-F93 HydrophobicContact CD-CD1 3.59Å; K38-F93 HydrophobicContact CD-CE1 4.04Å; K38-F93 HydrophobicContact CD-CG 4.02Å; K38-F93 HydrophobicContact CG-CD1 4.36Å; K38-F93 HydrophobicContact CG-CE1 4.46Å; V40-F93 HydrophobicContact CG2-CD2 4.16Å; V40-F93 HydrophobicContact CG2-CE2 3.96Å; V73-F93 HydrophobicContact CB-CZ 4.49Å; V73-F93 HydrophobicContact CG1-CE1 4.45Å; V73-F93 HydrophobicContact CG1-CZ 3.92Å; V73-F93 HydrophobicContact CG2-CE2 3.81Å; V73-F93 HydrophobicContact CG2-CZ 4.04Å; A89-F93 WeakPolarHBondContact O-CA 3.38Å; A89-F93 PolarHBondContact O-N 2.84Å; F93-R95 VanDerWaalsContact C-N 3.29Å; F93-R95 PolarHBondContact O-N 3.46Å
94G98.4Very high98.5Very high57 Ų5733.7 Ų33.759%0.58819%0.19SC*.SBendtrans78.50.4173.500000116.1A89 I90A89-G94 PolarHBondContact O-N 2.88Å; I90-G94 WeakPolarHBondContact O-CA 3.26Å; I90-G94 PolarHBondContact O-N 3.41Å
95R98.6Very high98.3Very high82 Ų8230 Ų3031%0.30917%0.174SC..  trans-159.6168.9-176.764.2-171.4-64.8148.13.7112.3V14 F93 D97V14-R95 HydrophobicContact CB-CG 4.07Å; V14-R95 WeakPolarHBondContact CB-O 3.27Å; V14-R95 VanDerWaalsContact CG1-O 3.32Å; V14-R95 WeakPolarHBondContact CG1-O 3.3Å; V14-R95 HydrophobicContact CG2-CG 3.4Å; V14-R95 VanDerWaalsContact CG2-CG 3.4Å; F93-R95 VanDerWaalsContact C-N 3.29Å; F93-R95 PolarHBondContact O-N 3.46Å; R95-D97 IonicContact CZ-OD1 2.8Å; R95-D97 IonicContact CZ-OD2 3.71Å; R95-D97 IonicContact NE-OD1 3.27Å; R95-D97 PolarHBondContact NE-OD1 3.4Å; R95-D97 IonicContact NE-OD2 2.86Å; R95-D97 PolarHBondContact NE-OD2 2.85Å; R95-D97 IonicContact NH2-OD1 2.7Å; R95-D97 PolarHBondContact NH2-OD1 3.38Å; R95-D97 IonicContact NH2-OD2 2.65Å
96V98.9Very high98Very high0 Ų032.1 Ų32.10%019%0.185CC..  trans-142.5120.1168.957.20000109.6V16 I86 A89 I90 A137 Y140 M141 Q144V16-V96 HydrophobicContact CG2-CG2 3.75Å; I86-V96 HydrophobicContact CG2-CG1 4.18Å; A89-V96 HydrophobicContact CB-CB 4.43Å; I90-V96 HydrophobicContact CD1-CG1 4.36Å; V96-A137 HydrophobicContact CG1-CB 4.15Å; V96-Y140 HydrophobicContact CG1-CD2 4.35Å; V96-Y140 HydrophobicContact CG1-CG 4.33Å; V96-M141 HydrophobicContact CG2-CE 4.16Å; V96-Q144 PolarHBondContact O-NE2 3.42Å
97D98.9Very high97.7Very high0 Ų033.8 Ų33.80%019%0.192CC..  trans-110.8-35.3-175.6-66.1-86.6000112.3R13 V14 R95 Y146 G147 R148R13-D97 WeakPolarHBondContact CA-OD2 3.48Å; R13-D97 HydrophobicContact CB-CB 4.09Å; R13-D97 IonicContact NH1-OD1 2.86Å; R13-D97 PolarHBondContact NH1-OD1 2.98Å; R13-D97 VanDerWaalsContact NH1-OD1 3.15Å; V14-D97 PolarHBondContact N-OD2 2.97Å; V14-D97 PolarHBondContact O-N 3.27Å; R95-D97 IonicContact CZ-OD1 2.8Å; R95-D97 IonicContact CZ-OD2 3.71Å; R95-D97 IonicContact NE-OD1 3.27Å; R95-D97 PolarHBondContact NE-OD1 3.4Å; R95-D97 IonicContact NE-OD2 2.86Å; R95-D97 PolarHBondContact NE-OD2 2.85Å; R95-D97 IonicContact NH2-OD1 2.7Å; R95-D97 PolarHBondContact NH2-OD1 3.38Å; R95-D97 IonicContact NH2-OD2 2.65Å; D97-Y146 HydrophobicContact CB-CD1 3.78Å; D97-Y146 HydrophobicContact CB-CE1 3.85Å; D97-G147 CarbonylContact O-C 3.41Å; D97-G147 WeakPolarHBondContact O-CA 3.44Å; D97-R148 PolarHBondContact O-N 3.13Å
98I99Very high97.5Very high0 Ų032 Ų320%019%0.185CC..EExtended strand (participates in β ladder)trans-125131-176.9-60.6165.2000108.1Y10 V14 A15 V16 F32 V100 R148 C229Y10-I98 HydrophobicContact CD1-CD1 3.66Å; Y10-I98 HydrophobicContact CE1-CD1 4.1Å; Y10-I98 HydrophobicContact CG-CD1 4.5Å; V14-I98 PolarHBondContact O-N 2.75Å; A15-I98 CarbonylContact C-O 3.53Å; A15-I98 WeakPolarHBondContact CA-O 3.23Å; A15-I98 HydrophobicContact CB-CB 3.91Å; A15-I98 HydrophobicContact CB-CD1 4.4Å; A15-I98 HydrophobicContact CB-CG2 4.17Å; V16-I98 PolarHBondContact N-O 2.87Å; F32-I98 HydrophobicContact CD1-CD1 4.23Å; F32-I98 HydrophobicContact CE1-CD1 3.89Å; F32-I98 HydrophobicContact CE1-CG2 4.45Å; F32-I98 HydrophobicContact CE2-CG2 4.27Å; F32-I98 HydrophobicContact CZ-CD1 4.46Å; F32-I98 HydrophobicContact CZ-CG2 3.96Å; I98-V100 HydrophobicContact CG2-CG2 4.06Å; I98-R148 CarbonylContact C-O 3.59Å; I98-R148 VanDerWaalsContact CA-O 3.3Å; I98-R148 WeakPolarHBondContact CA-O 3.41Å; I98-R148 HydrophobicContact CG1-CB 4.2Å; I98-C229 HydrophobicContact CD1-CB 3.94Å; I98-C229 HydrophobicContact CG1-CB 4.04Å; I98-C229 HydrophobicContact CG2-CB 3.87Å
99L99Very high97.2Very high0 Ų036.1 Ų36.10%020%0.197CC..EExtended strand (participates in β ladder)trans-127.1114.1172173.463.3000109.3V16 I86 C133 A137 M141 R148 I149 I150V16-L99 HydrophobicContact CB-CD1 4Å; V16-L99 HydrophobicContact CG1-CD1 3.96Å; V16-L99 WeakPolarHBondContact O-CA 3.19Å; I86-L99 HydrophobicContact CD1-CD1 4.32Å; L99-C133 HydrophobicContact CD1-CB 4.24Å; L99-C133 HydrophobicContact CD2-CB 4.01Å; L99-A137 HydrophobicContact CD2-CB 4.09Å; L99-M141 HydrophobicContact CB-CE 3.84Å; L99-R148 PolarHBondContact N-O 3.01Å; L99-I149 HydrophobicContact CB-CG1 4.42Å; L99-I149 CarbonylContact O-C 3.44Å; L99-I149 WeakPolarHBondContact O-CA 3.47Å; L99-I150 PolarHBondContact O-N 3.05Å
100V99Very high97Very high0 Ų037.6 Ų37.60%021%0.207CC..EExtended strand (participates in β ladder)trans-103.6102173.1-175.40000108.8V16 V17 T18 Y28 F32 I98 N102 I150 V225V16-V100 PolarHBondContact O-N 3.28Å; V17-V100 HydrophobicContact CG1-CB 4.14Å; V17-V100 HydrophobicContact CG1-CG1 4.37Å; V17-V100 HydrophobicContact CG2-CB 4.3Å; V17-V100 HydrophobicContact CG2-CG2 4.38Å; T18-V100 PolarHBondContact N-O 3.07Å; T18-V100 PolarHBondContact OG1-O 3.45Å; Y28-V100 HydrophobicContact CD2-CG1 3.76Å; Y28-V100 HydrophobicContact CE2-CG1 4.1Å; F32-V100 HydrophobicContact CE2-CG2 3.92Å; F32-V100 HydrophobicContact CZ-CG2 4.43Å; I98-V100 HydrophobicContact CG2-CG2 4.06Å; V100-N102 VanDerWaalsContact C-N 3.3Å; V100-N102 HydrophobicContact CG1-CB 3.95Å; V100-N102 PolarHBondContact O-N 3.12Å; V100-I150 HydrophobicContact CB-CB 4.44Å; V100-I150 HydrophobicContact CG1-CB 4.14Å; V100-I150 HydrophobicContact CG1-CG2 4.26Å; V100-I150 HydrophobicContact CG2-CB 4.28Å; V100-I150 HydrophobicContact CG2-CG1 4.26Å; V100-V225 HydrophobicContact CG1-CG1 4.26Å; V100-V225 HydrophobicContact CG2-CG1 4.1Å
101N98.9Very high97Very high2 Ų242 Ų421%0.01123%0.231CC..EExtended strand (participates in β ladder)trans-78.280.5175.2-67.5-60.5000110S130 C133 T134 I150 M151 T152N101-S130 WeakPolarHBondContact CB-OG 3.46Å; N101-C133 WeakPolarHBondContact OD1-CB 3.48Å; N101-T134 PolarHBondContact ND2-OG1 2.77Å; N101-I150 WeakPolarHBondContact CB-O 3.33Å; N101-I150 PolarHBondContact N-O 2.89Å; N101-M151 HydrophobicContact CB-SD 4.07Å; N101-M151 PolarHBondContact ND2-SD 3.27Å; N101-M151 VanDerWaalsContact ND2-SD 3.41Å; N101-T152 WeakPolarHBondContact O-CB 3.49Å; N101-T152 PolarHBondContact O-N 2.91Å; N101-T152 PolarHBondContact O-OG1 2.97Å
102N98.5Very high96.9Very high20 Ų2041.5 Ų41.511%0.10724%0.24CC..  trans-106.5-19.7-174.7166.987.3000114.1T18 G19 G25 Y28 V100 G104T18-N102 CarbonylContact O-C 3.53Å; T18-N102 VanDerWaalsContact O-CB 3.26Å; T18-N102 WeakPolarHBondContact O-CB 3.43Å; T18-N102 PolarHBondContact O-ND2 2.72Å; T18-N102 VanDerWaalsContact O-ND2 3.07Å; T18-N102 PolarHBondContact OG1-N 3.37Å; G19-N102 PolarHBondContact O-ND2 3.17Å; G19-N102 VanDerWaalsContact O-ND2 3.13Å; G25-N102 VanDerWaalsContact CA-ND2 3.35Å; G25-N102 WeakPolarHBondContact CA-ND2 3.5Å; G25-N102 PolarHBondContact N-ND2 3.18Å; Y28-N102 HydrophobicContact CE2-CB 4.36Å; V100-N102 VanDerWaalsContact C-N 3.3Å; V100-N102 HydrophobicContact CG1-CB 3.95Å; V100-N102 PolarHBondContact O-N 3.12Å; N102-G104 PolarHBondContact O-N 3.36Å
103A96.9Very high96.9Very high13 Ų1346.7 Ų46.711%0.10725%0.254CS..  trans-49.9138.8-179.800000112.7T18 V79T18-A103 PolarHBondContact O-N 3.15Å; T18-A103 VanDerWaalsContact O-N 3.1Å; T18-A103 PolarHBondContact OG1-N 2.96Å; V79-A103 HydrophobicContact CG1-CB 3.75Å; V79-A103 HydrophobicContact CG2-CB 4.34Å
104G94.8Very high96.8Very high41 Ų4146.2 Ų46.242%0.42325%0.254SS..  trans-170.2156-175.100000114.5N102 H126N102-G104 PolarHBondContact O-N 3.36Å; G104-H126 WeakPolarHBondContact CA-CE1 3.37Å
105I94.9Very high96.8Very high15 Ų1545.8 Ų45.88%0.07724%0.242CC..  trans-143.2168.3-179.257.7163.4000109.7H48 L121 V122 V125 H126H48-I105 CarbonylContact O-C 3.55Å; H48-I105 VanDerWaalsContact O-CA 3.28Å; H48-I105 WeakPolarHBondContact O-CA 3.38Å; H48-I105 WeakPolarHBondContact O-CB 3.39Å; I105-L121 HydrophobicContact CD1-CD1 4.4Å; I105-L121 HydrophobicContact CD1-CD2 3.88Å; I105-L121 HydrophobicContact CD1-CG 3.57Å; I105-V122 HydrophobicContact CD1-CG2 4.35Å; I105-V122 HydrophobicContact CG1-CG2 4.42Å; I105-V125 HydrophobicContact CD1-CB 4.22Å; I105-V125 HydrophobicContact CD1-CG2 3.89Å; I105-V125 HydrophobicContact CG1-CB 4.11Å; I105-V125 HydrophobicContact CG1-CG1 4.19Å; I105-V125 HydrophobicContact CG1-CG2 4.26Å; I105-V125 HydrophobicContact CG2-CG1 4.42Å; I105-H126 PolarHBondContact N-CE1 3.35Å; I105-H126 PolarHBondContact N-NE2 3.05Å; I105-H126 PolarHBondContact O-NE2 3.05Å
106L92.3Very high96.8Very high45 Ų4549.1 Ų49.124%0.23626%0.261CS..  trans-126.7136.1176.4-65.3173.1000110.6H48 S49 Y167 M203H48-L106 PolarHBondContact O-N 3.37Å; S49-L106 WeakPolarHBondContact CA-O 3.36Å; L106-Y167 HydrophobicContact CD2-CD1 4.31Å; L106-Y167 HydrophobicContact CD2-CD2 3.69Å; L106-Y167 HydrophobicContact CD2-CE1 4.27Å; L106-Y167 HydrophobicContact CD2-CE2 3.63Å; L106-Y167 HydrophobicContact CD2-CG 4.04Å; L106-M203 HydrophobicContact CD1-CE 4.36Å
107R93.5Very high96.7Very high38 Ų3856.1 Ų56.114%0.14329%0.294CS..  trans-136.163.1170.3-68.6-65.8-176156.9-8.7108.9S49 D51 R109 D118 V122 N166S49-R107 PolarHBondContact O-NE 3.16Å; S49-R107 PolarHBondContact O-NH2 3.26Å; D51-R107 IonicContact OD1-CZ 2.88Å; D51-R107 IonicContact OD1-NH2 3.53Å; D51-R107 PolarHBondContact OD1-NH2 3.08Å; D51-R107 IonicContact OD2-CZ 3.83Å; D51-R107 IonicContact OD2-NH2 3.8Å; D51-R107 PolarHBondContact OD2-NH2 3.38Å; R107-R109 PolarHBondContact O-N 2.78Å; R107-D118 HydrophobicContact CB-CB 3.78Å; R107-D118 VanDerWaalsContact CD-OD1 3.26Å; R107-D118 WeakPolarHBondContact CD-OD1 3.27Å; R107-D118 HydrophobicContact CG-CB 4.23Å; R107-D118 IonicContact NE-OD1 3.56Å; R107-D118 IonicContact NH1-OD1 2.63Å; R107-V122 HydrophobicContact CB-CG2 3.82Å; R107-V122 HydrophobicContact CG-CG2 3.99Å; R107-N166 PolarHBondContact O-ND2 2.82Å
108D93.1Very high96.7Very high51 Ų5156.7 Ų56.727%0.27330%0.297SS..  trans-67.3117.2-171.9-69.30.3000111.1G163 Q164D108-G163 CarbonylContact C-O 3.55Å; D108-G163 WeakPolarHBondContact CA-O 3.4Å; D108-Q164 PolarHBondContact OD1-NE2 3.4Å; D108-Q164 PolarHBondContact OD2-NE2 2.87Å
109R92.8Very high96.6Very high118 Ų11861.4 Ų61.445%0.44532%0.315SS..BIsolated β-bridgetrans-145.3141.5176.6-63.9-64.6179-99.62.3108.6R107 K113 T114 G163R107-R109 PolarHBondContact O-N 2.78Å; R109-K113 HydrophobicContact CB-CB 4.29Å; R109-T114 WeakPolarHBondContact CB-OG1 3.45Å; R109-T114 PolarHBondContact O-OG1 2.68Å; R109-G163 CarbonylContact C-O 3.52Å; R109-G163 PolarHBondContact N-O 3.43Å; R109-G163 CarbonylContact O-C 3.16Å; R109-G163 VanDerWaalsContact O-CA 3.31Å; R109-G163 WeakPolarHBondContact O-CA 3.08Å
110S95.3Very high96.6Very high31 Ų3164.7 Ų64.722%0.21733%0.332CS..  trans-58.7157.4168.263.60000110V112 K113 T114S110-V112 VanDerWaalsContact C-N 3.26Å; S110-V112 PolarHBondContact O-N 3.14Å; S110-V112 VanDerWaalsContact O-N 3.13Å; S110-K113 CarbonylContact O-C 3.51Å; S110-K113 WeakPolarHBondContact O-CA 3.05Å; S110-K113 PolarHBondContact O-N 3.26Å; S110-T114 PolarHBondContact O-N 3.36Å; S110-T114 VanDerWaalsContact O-N 3.07Å; S110-T114 PolarHBondContact O-OG1 2.91Å
111L97.3Very high96.5Very high132 Ų13267.1 Ų67.169%0.69135%0.345SS*.G310 helixtrans-44.9-51.3-176.7177.668.4000112.4K113 T114 V165L111-K113 VanDerWaalsContact C-N 3.27Å; L111-K113 PolarHBondContact O-N 3.47Å; L111-T114 PolarHBondContact O-N 3Å; L111-V165 HydrophobicContact CD1-CB 4.38Å; L111-V165 HydrophobicContact CD1-CG1 4.31Å; L111-V165 HydrophobicContact CD1-CG2 3.81Å
112V97.8Very high96.5Very high141 Ų14167 Ų6786%0.85534%0.344SS*.G310 helixtrans-66.2-25.6-178.2179.20000113.3S110S110-V112 VanDerWaalsContact C-N 3.26Å; S110-V112 PolarHBondContact O-N 3.14Å; S110-V112 VanDerWaalsContact O-N 3.13Å
113K97.8Very high96.5Very high155 Ų15567.4 Ų67.467%0.67435%0.346SS*.G310 helixtrans-100.7-0.8-175.9-65.2-176.4179-179.30113.4R109 S110 L111 S115R109-K113 HydrophobicContact CB-CB 4.29Å; S110-K113 CarbonylContact O-C 3.51Å; S110-K113 WeakPolarHBondContact O-CA 3.05Å; S110-K113 PolarHBondContact O-N 3.26Å; L111-K113 VanDerWaalsContact C-N 3.27Å; L111-K113 PolarHBondContact O-N 3.47Å; K113-S115 PolarHBondContact O-N 2.87Å
114T97.5Very high96.6Very high30 Ų3069 Ų6918%0.18435%0.353CS..  trans-74.4115.3-179.2-57.60000108.7R109 S110 L111 W119 V165 N166R109-T114 WeakPolarHBondContact CB-OG1 3.45Å; R109-T114 PolarHBondContact O-OG1 2.68Å; S110-T114 PolarHBondContact O-N 3.36Å; S110-T114 VanDerWaalsContact O-N 3.07Å; S110-T114 PolarHBondContact O-OG1 2.91Å; L111-T114 PolarHBondContact O-N 3Å; T114-W119 HydrophobicContact CG2-CB 4.34Å; T114-V165 HydrophobicContact CG2-CG1 4.15Å; T114-V165 VanDerWaalsContact OG1-CG1 3.31Å; T114-V165 WeakPolarHBondContact OG1-CG1 3.48Å; T114-N166 HydrophobicContact CG2-CB 4.41Å
115S98Very high96.7Very high47 Ų4768.1 Ų68.133%0.32934%0.34SS..  trans-75155.1175.572.90000110.8K113 Q117 D118 W119K113-S115 PolarHBondContact O-N 2.87Å; S115-Q117 PolarHBondContact O-N 3.24Å; S115-D118 PolarHBondContact O-N 2.9Å; S115-D118 WeakPolarHBondContact OG-CB 3.35Å; S115-D118 PolarHBondContact OG-N 3.05Å; S115-D118 PolarHBondContact OG-OD2 3.11Å; S115-W119 PolarHBondContact O-N 2.91Å
116E98.3Very high96.9Very high152 Ų15267.5 Ų67.571%0.7134%0.337SS*.Hα-helixtrans-59.9-36.8174.5-176178.9172.500111.7W119 N120E116-W119 WeakPolarHBondContact O-CB 3.4Å; E116-W119 PolarHBondContact O-N 3.23Å; E116-N120 WeakPolarHBondContact O-CB 3.44Å; E116-N120 VanDerWaalsContact O-CG 3.3Å; E116-N120 PolarHBondContact O-N 2.86Å; E116-N120 PolarHBondContact O-ND2 3.47Å
117Q98.1Very high97.2Very high147 Ų14767.7 Ų67.769%0.68734%0.338SS*.Hα-helixtrans-61-47.9174.9-177.6-178.8-0.200111.6S115 W119 N120 L121S115-Q117 PolarHBondContact O-N 3.24Å; Q117-W119 VanDerWaalsContact C-N 3.3Å; Q117-W119 PolarHBondContact O-N 3.42Å; Q117-N120 PolarHBondContact O-N 2.88Å; Q117-L121 VanDerWaalsContact O-CB 3.24Å; Q117-L121 WeakPolarHBondContact O-CB 3.3Å; Q117-L121 PolarHBondContact O-N 3.04Å
118D97.1Very high97.4Very high13 Ų1370 Ų707%0.0735%0.349CS..Hα-helixtrans-64.9-35.9177.6-69-38.7000111.7R107 S115 V122 N166R107-D118 HydrophobicContact CB-CB 3.78Å; R107-D118 VanDerWaalsContact CD-OD1 3.26Å; R107-D118 WeakPolarHBondContact CD-OD1 3.27Å; R107-D118 HydrophobicContact CG-CB 4.23Å; R107-D118 IonicContact NE-OD1 3.56Å; R107-D118 IonicContact NH1-OD1 2.63Å; S115-D118 PolarHBondContact O-N 2.9Å; S115-D118 WeakPolarHBondContact OG-CB 3.35Å; S115-D118 PolarHBondContact OG-N 3.05Å; S115-D118 PolarHBondContact OG-OD2 3.11Å; D118-V122 WeakPolarHBondContact O-CB 3.44Å; D118-V122 WeakPolarHBondContact O-CG2 3.36Å; D118-V122 PolarHBondContact O-N 3.32Å; D118-N166 PolarHBondContact O-ND2 2.83Å
119W98.4Very high97.7Very high99 Ų9967.6 Ų67.638%0.37534%0.336SS..Hα-helixtrans-63.7-53.8174.4175.1-89.9000111.6T114 S115 E116 Q117 N123 V165 N166 A169T114-W119 HydrophobicContact CG2-CB 4.34Å; S115-W119 PolarHBondContact O-N 2.91Å; E116-W119 WeakPolarHBondContact O-CB 3.4Å; E116-W119 PolarHBondContact O-N 3.23Å; Q117-W119 VanDerWaalsContact C-N 3.3Å; Q117-W119 PolarHBondContact O-N 3.42Å; W119-N123 VanDerWaalsContact CE2-ND2 3.33Å; W119-N123 PolarHBondContact NE1-ND2 2.82Å; W119-N123 WeakPolarHBondContact O-CB 3.34Å; W119-N123 PolarHBondContact O-N 3.46Å; W119-N123 VanDerWaalsContact O-N 3.09Å; W119-N123 PolarHBondContact O-ND2 3.19Å; W119-V165 HydrophobicContact CZ3-CG2 4.39Å; W119-N166 HydrophobicContact CD2-CB 4.43Å; W119-N166 HydrophobicContact CE3-CB 3.73Å; W119-N166 HydrophobicContact CZ3-CB 4.25Å; W119-A169 HydrophobicContact CH2-CB 3.89Å; W119-A169 HydrophobicContact CZ3-CB 4.36Å
120N98.5Very high98Very high69 Ų6962.1 Ų62.137%0.36932%0.316SS..Hα-helixtrans-63-46.1-177.2-73.6-20.8000110.9E116 Q117 V122 N123 D124E116-N120 WeakPolarHBondContact O-CB 3.44Å; E116-N120 VanDerWaalsContact O-CG 3.3Å; E116-N120 PolarHBondContact O-N 2.86Å; E116-N120 PolarHBondContact O-ND2 3.47Å; Q117-N120 PolarHBondContact O-N 2.88Å; N120-V122 PolarHBondContact O-N 3.49Å; N120-N123 PolarHBondContact O-N 2.81Å; N120-D124 WeakPolarHBondContact O-CB 3.46Å; N120-D124 PolarHBondContact O-N 3.46Å
121L97.5Very high98.1Very high50 Ų5064.6 Ų64.626%0.26232%0.322SS..Hα-helixtrans-62-44.4-177.6-174.163.6000112.2I105 Q117 D124 V125I105-L121 HydrophobicContact CD1-CD1 4.4Å; I105-L121 HydrophobicContact CD1-CD2 3.88Å; I105-L121 HydrophobicContact CD1-CG 3.57Å; Q117-L121 VanDerWaalsContact O-CB 3.24Å; Q117-L121 WeakPolarHBondContact O-CB 3.3Å; Q117-L121 PolarHBondContact O-N 3.04Å; L121-D124 PolarHBondContact O-N 2.97Å; L121-V125 HydrophobicContact CD1-CG2 4.36Å; L121-V125 WeakPolarHBondContact O-CG2 3.36Å; L121-V125 PolarHBondContact O-N 3.26Å
122V97.7Very high98.2Very high0 Ų061.7 Ų61.70%030%0.304CS..Hα-helixtrans-65.2-44.8177.4168.30000111.1I105 R107 D118 N120 H126 N166 Y167 A170I105-V122 HydrophobicContact CD1-CG2 4.35Å; I105-V122 HydrophobicContact CG1-CG2 4.42Å; R107-V122 HydrophobicContact CB-CG2 3.82Å; R107-V122 HydrophobicContact CG-CG2 3.99Å; D118-V122 WeakPolarHBondContact O-CB 3.44Å; D118-V122 WeakPolarHBondContact O-CG2 3.36Å; D118-V122 PolarHBondContact O-N 3.32Å; N120-V122 PolarHBondContact O-N 3.49Å; V122-H126 WeakPolarHBondContact O-CB 3.45Å; V122-H126 PolarHBondContact O-CD2 3.01Å; V122-H126 VanDerWaalsContact O-CD2 3.24Å; V122-H126 PolarHBondContact O-N 3.4Å; V122-N166 HydrophobicContact CB-CB 4.17Å; V122-N166 HydrophobicContact CG1-CB 4.09Å; V122-Y167 HydrophobicContact CG1-CD2 4.45Å; V122-A170 HydrophobicContact CG1-CB 4.32Å
123N98.5Very high98.3Very high28 Ų2855 Ų5515%0.1526%0.264CS..Hα-helixtrans-65-39.6177-81.9-81.6000112.5W119 N120 L127 K128W119-N123 VanDerWaalsContact CE2-ND2 3.33Å; W119-N123 PolarHBondContact NE1-ND2 2.82Å; W119-N123 WeakPolarHBondContact O-CB 3.34Å; W119-N123 PolarHBondContact O-N 3.46Å; W119-N123 VanDerWaalsContact O-N 3.09Å; W119-N123 PolarHBondContact O-ND2 3.19Å; N120-N123 PolarHBondContact O-N 2.81Å; N123-L127 WeakPolarHBondContact O-CB 3.26Å; N123-L127 PolarHBondContact O-N 3.02Å; N123-K128 PolarHBondContact O-N 3.14Å
124D98.4Very high98.3Very high46 Ų4647.8 Ų47.825%0.24623%0.233CC..Iπ-helixtrans-65.1-48.1-180-87.4-25.5000111.4I80 N120 L121 K128 G129I80-D124 HydrophobicContact CD1-CB 3.7Å; I80-D124 HydrophobicContact CG1-CB 4.2Å; N120-D124 WeakPolarHBondContact O-CB 3.46Å; N120-D124 PolarHBondContact O-N 3.46Å; L121-D124 PolarHBondContact O-N 2.97Å; D124-K128 WeakPolarHBondContact OD1-CD 3.24Å; D124-K128 IonicContact OD1-NZ 2.76Å; D124-K128 PolarHBondContact OD1-NZ 2.89Å; D124-G129 PolarHBondContact O-N 2.86Å
125V97.9Very high98.4Very high23 Ų2351.1 Ų51.114%0.13925%0.246CC..Iπ-helixtrans-69.3-48.9-179.7173.60000111.4V79 I105 L121V79-V125 HydrophobicContact CG2-CG1 4.37Å; V79-V125 WeakPolarHBondContact CG2-O 3.39Å; I105-V125 HydrophobicContact CD1-CB 4.22Å; I105-V125 HydrophobicContact CD1-CG2 3.89Å; I105-V125 HydrophobicContact CG1-CB 4.11Å; I105-V125 HydrophobicContact CG1-CG1 4.19Å; I105-V125 HydrophobicContact CG1-CG2 4.26Å; I105-V125 HydrophobicContact CG2-CG1 4.42Å; L121-V125 HydrophobicContact CD1-CG2 4.36Å; L121-V125 WeakPolarHBondContact O-CG2 3.36Å; L121-V125 PolarHBondContact O-N 3.26Å
126H98.3Very high98.4Very high3 Ų349.9 Ų49.91%0.01424%0.239CC..Iπ-helixtrans-78.2-63.2-173.6-74.1-78.1000112.7G104 I105 V122 S130 Y167 A170 K171G104-H126 WeakPolarHBondContact CA-CE1 3.37Å; I105-H126 PolarHBondContact N-CE1 3.35Å; I105-H126 PolarHBondContact N-NE2 3.05Å; I105-H126 PolarHBondContact O-NE2 3.05Å; V122-H126 WeakPolarHBondContact O-CB 3.45Å; V122-H126 PolarHBondContact O-CD2 3.01Å; V122-H126 VanDerWaalsContact O-CD2 3.24Å; V122-H126 PolarHBondContact O-N 3.4Å; H126-S130 VanDerWaalsContact O-CB 3.24Å; H126-S130 WeakPolarHBondContact O-CB 3.48Å; H126-S130 PolarHBondContact O-N 3.45Å; H126-S130 PolarHBondContact O-OG 2.97Å; H126-Y167 AromaticContact CE1-CE2 3.52Å; H126-Y167 AromaticContact NE2-CD2 3.69Å; H126-Y167 AromaticContact NE2-CE2 3.56Å; H126-A170 HydrophobicContact CB-CB 3.95Å; H126-K171 VanDerWaalsContact CE1-CE 3.48Å; H126-K171 WeakPolarHBondContact CE1-CE 3.12Å; H126-K171 VanDerWaalsContact ND1-CE 3.33Å; H126-K171 WeakPolarHBondContact ND1-CE 3.4Å
127L98.7Very high98.5Very high49 Ų4942.7 Ų42.726%0.25721%0.205SC..Iπ-helixtrans-82.1-55.1-168.5-179.456.8000111.1N123 S130 F131 A170 L174 L177N123-L127 WeakPolarHBondContact O-CB 3.26Å; N123-L127 PolarHBondContact O-N 3.02Å; L127-S130 PolarHBondContact O-N 3.1Å; L127-F131 WeakPolarHBondContact O-CB 3.49Å; L127-F131 PolarHBondContact O-N 3.04Å; L127-A170 HydrophobicContact CB-CB 4.45Å; L127-L174 HydrophobicContact CD1-CD2 4.01Å; L127-L174 HydrophobicContact CD1-CG 4.33Å; L127-L177 HydrophobicContact CD1-CB 4.49Å; L127-L177 HydrophobicContact CD1-CD2 4.36Å
128K98.8Very high98.5Very high86 Ų8636.9 Ų36.937%0.37418%0.178SC..Iπ-helixtrans-67.6-39.6-178.4-174.9-174.2-180177.40111.8I80 N123 D124 F131 K132I80-K128 HydrophobicContact CG2-CD 4.4Å; N123-K128 PolarHBondContact O-N 3.14Å; D124-K128 WeakPolarHBondContact OD1-CD 3.24Å; D124-K128 IonicContact OD1-NZ 2.76Å; D124-K128 PolarHBondContact OD1-NZ 2.89Å; K128-F131 WeakPolarHBondContact O-CB 3.45Å; K128-F131 PolarHBondContact O-N 2.84Å; K128-K132 HydrophobicContact CG-CG 4.24Å; K128-K132 WeakPolarHBondContact O-CB 3.47Å; K128-K132 VanDerWaalsContact O-CG 3.25Å; K128-K132 WeakPolarHBondContact O-CG 3.45Å; K128-K132 PolarHBondContact O-N 3.33Å
129G98.7Very high98.6Very high0 Ų040.2 Ų40.20%020%0.2CC..Hα-helixtrans-58.1-50.3174.900000111.9V79 D124 F131 K132 C133V79-G129 WeakPolarHBondContact O-CA 3.44Å; D124-G129 PolarHBondContact O-N 2.86Å; G129-F131 VanDerWaalsContact C-N 3.32Å; G129-F131 PolarHBondContact O-N 3.07Å; G129-K132 PolarHBondContact O-N 2.98Å; G129-K132 VanDerWaalsContact O-N 3.17Å; G129-C133 PolarHBondContact O-N 2.83Å
130S98.9Very high98.6Very high4 Ų440.2 Ų40.23%0.02820%0.201CC..Hα-helixtrans-59.8-42.3175.5-58.30000112.3N101 H126 L127 T134 L174N101-S130 WeakPolarHBondContact CB-OG 3.46Å; H126-S130 VanDerWaalsContact O-CB 3.24Å; H126-S130 WeakPolarHBondContact O-CB 3.48Å; H126-S130 PolarHBondContact O-N 3.45Å; H126-S130 PolarHBondContact O-OG 2.97Å; L127-S130 PolarHBondContact O-N 3.1Å; S130-T134 WeakPolarHBondContact O-CB 3.43Å; S130-T134 PolarHBondContact O-N 3.09Å; S130-T134 PolarHBondContact O-OG1 2.6Å; S130-L174 VanDerWaalsContact CB-CD2 3.49Å; S130-L174 WeakPolarHBondContact OG-CD2 3.42Å
131F98.9Very high98.6Very high82 Ų8236.9 Ų36.936%0.3618%0.183SC..Hα-helixtrans-60.4-46.4173.9167.9-106.3000112.1L127 K128 G129 T134 Q135 L177L127-F131 WeakPolarHBondContact O-CB 3.49Å; L127-F131 PolarHBondContact O-N 3.04Å; K128-F131 WeakPolarHBondContact O-CB 3.45Å; K128-F131 PolarHBondContact O-N 2.84Å; G129-F131 VanDerWaalsContact C-N 3.32Å; G129-F131 PolarHBondContact O-N 3.07Å; F131-T134 PolarHBondContact O-N 3.47Å; F131-Q135 WeakPolarHBondContact O-CB 3.44Å; F131-Q135 PolarHBondContact O-N 2.79Å; F131-L177 HydrophobicContact CB-CD2 3.98Å; F131-L177 HydrophobicContact CD2-CD1 4.07Å
132K98.9Very high98.7Very high71 Ų7138.7 Ų38.731%0.30919%0.189SC..Hα-helixtrans-68.3-43.2-176.7-73-66.6-179.4-173.50112.8K128 G129 T134 A136K128-K132 HydrophobicContact CG-CG 4.24Å; K128-K132 WeakPolarHBondContact O-CB 3.47Å; K128-K132 VanDerWaalsContact O-CG 3.25Å; K128-K132 WeakPolarHBondContact O-CG 3.45Å; K128-K132 PolarHBondContact O-N 3.33Å; G129-K132 PolarHBondContact O-N 2.98Å; G129-K132 VanDerWaalsContact O-N 3.17Å; K132-T134 VanDerWaalsContact C-N 3.35Å; K132-A136 WeakPolarHBondContact O-CB 3.35Å; K132-A136 PolarHBondContact O-N 2.71Å
133C98.9Very high98.7Very high0 Ų048 Ų480%023%0.229CC..Hα-helixtrans-62.1-44.8173.1-69.40000111.1G82 L99 N101 G129 A136 A137G82-C133 VanDerWaalsContact CA-SG 3.59Å; L99-C133 HydrophobicContact CD1-CB 4.24Å; L99-C133 HydrophobicContact CD2-CB 4.01Å; N101-C133 WeakPolarHBondContact OD1-CB 3.48Å; G129-C133 PolarHBondContact O-N 2.83Å; C133-A136 PolarHBondContact O-N 3.38Å; C133-A137 WeakPolarHBondContact O-CB 3.42Å; C133-A137 PolarHBondContact O-N 3.09Å
134T98.9Very high98.7Very high5 Ų549.1 Ų49.13%0.03123%0.234CC..Hα-helixtrans-63-48.9178.2-58.90000111.3N101 S130 F131 K132 A136 A137 F138 I149 M151 V181N101-T134 PolarHBondContact ND2-OG1 2.77Å; S130-T134 WeakPolarHBondContact O-CB 3.43Å; S130-T134 PolarHBondContact O-N 3.09Å; S130-T134 PolarHBondContact O-OG1 2.6Å; F131-T134 PolarHBondContact O-N 3.47Å; K132-T134 VanDerWaalsContact C-N 3.35Å; T134-A136 PolarHBondContact O-N 2.78Å; T134-A137 PolarHBondContact O-N 3.05Å; T134-A137 VanDerWaalsContact O-N 3.17Å; T134-F138 WeakPolarHBondContact O-CB 3.49Å; T134-F138 PolarHBondContact O-N 2.74Å; T134-I149 HydrophobicContact CG2-CD1 3.93Å; T134-I149 HydrophobicContact CG2-CG2 4.46Å; T134-M151 HydrophobicContact CG2-CE 4.27Å; T134-M151 WeakPolarHBondContact OG1-CE 3.44Å; T134-V181 HydrophobicContact CG2-CG1 4.03Å; T134-V181 HydrophobicContact CG2-CG2 4.13Å
135Q98.8Very high98.7Very high100 Ų10051.2 Ų51.247%0.46725%0.245SC..Hα-helixtrans-55-40.1176.8177.1174.262.600111.9F131 P139F131-Q135 WeakPolarHBondContact O-CB 3.44Å; F131-Q135 PolarHBondContact O-N 2.79Å; Q135-P139 WeakPolarHBondContact O-CD 3.46Å
136A98.9Very high98.7Very high21 Ų2150.5 Ų50.517%0.17424%0.24CC..Hα-helixtrans-74.7-36.3178.600000113.5A83 I86 K132 C133 T134 Y140A83-A136 HydrophobicContact CB-CB 4.35Å; I86-A136 HydrophobicContact CB-CB 4Å; I86-A136 HydrophobicContact CG1-CB 3.68Å; K132-A136 WeakPolarHBondContact O-CB 3.35Å; K132-A136 PolarHBondContact O-N 2.71Å; C133-A136 PolarHBondContact O-N 3.38Å; T134-A136 PolarHBondContact O-N 2.78Å; A136-Y140 WeakPolarHBondContact O-CD2 3.42Å
137A98.9Very high98.7Very high0 Ų050.4 Ų50.40%024%0.239CC..Hα-helixtrans-76.2-32.7179.700000113I86 V96 L99 C133 T134 Y140 M141I86-A137 HydrophobicContact CD1-CB 3.83Å; I86-A137 HydrophobicContact CG1-CB 4.07Å; V96-A137 HydrophobicContact CG1-CB 4.15Å; L99-A137 HydrophobicContact CD2-CB 4.09Å; C133-A137 WeakPolarHBondContact O-CB 3.42Å; C133-A137 PolarHBondContact O-N 3.09Å; T134-A137 PolarHBondContact O-N 3.05Å; T134-A137 VanDerWaalsContact O-N 3.17Å; A137-Y140 WeakPolarHBondContact O-CB 3.45Å; A137-Y140 PolarHBondContact O-N 3.19Å; A137-Y140 VanDerWaalsContact O-N 3.11Å; A137-M141 HydrophobicContact CB-CE 4.04Å; A137-M141 HydrophobicContact CB-SD 4.29Å; A137-M141 PolarHBondContact O-N 3.22Å; A137-M141 VanDerWaalsContact O-N 3.12Å
138F98.8Very high98.8Very high26 Ų2648.4 Ų48.411%0.11423%0.228CC..Hα-helixtrans-54.7-45.2-168.9-150.8-109.1000114.5T134 Y140 M141 K142 I149 V181 E184 V190T134-F138 WeakPolarHBondContact O-CB 3.49Å; T134-F138 PolarHBondContact O-N 2.74Å; F138-Y140 VanDerWaalsContact C-N 3.32Å; F138-Y140 PolarHBondContact O-N 3.03Å; F138-M141 PolarHBondContact O-N 2.94Å; F138-K142 HydrophobicContact CD1-CD 3.64Å; F138-K142 HydrophobicContact CD1-CG 4.02Å; F138-K142 HydrophobicContact CE1-CD 3.65Å; F138-K142 HydrophobicContact CE1-CG 4.08Å; F138-K142 WeakPolarHBondContact O-CG 3.49Å; F138-K142 PolarHBondContact O-N 3.42Å; F138-I149 HydrophobicContact CD2-CD1 4.09Å; F138-I149 HydrophobicContact CE2-CD1 4.33Å; F138-V181 HydrophobicContact CD2-CG1 4.38Å; F138-V181 HydrophobicContact CE2-CG1 3.79Å; F138-E184 HydrophobicContact CE1-CB 4.47Å; F138-E184 HydrophobicContact CZ-CB 4.12Å; F138-V190 HydrophobicContact CD2-CG1 3.95Å; F138-V190 HydrophobicContact CE2-CB 4.31Å; F138-V190 HydrophobicContact CE2-CG1 3.58Å; F138-V190 HydrophobicContact CZ-CG1 4.41Å
139P98.7Very high98.8Very high82 Ų8244.3 Ų44.353%0.53221%0.21SC..Hα-helixtrans-62.1-36.8179.2-23.735.7000113.4Q135 K143Q135-P139 WeakPolarHBondContact O-CD 3.46Å; P139-K143 WeakPolarHBondContact O-CB 3.32Å; P139-K143 PolarHBondContact O-N 3.2Å; P139-K143 VanDerWaalsContact O-N 3.08Å
140Y98.8Very high98.8Very high99 Ų9944.3 Ų44.339%0.38821%0.21SC..Hα-helixtrans-67.5-47.7176.4-62.1-78.7000111I86 I90 V96 A136 A137 F138 K142 K143 Q144I86-Y140 HydrophobicContact CG2-CD2 4.13Å; I86-Y140 HydrophobicContact CG2-CE2 4.08Å; I90-Y140 HydrophobicContact CD1-CD1 3.67Å; I90-Y140 HydrophobicContact CD1-CD2 4.18Å; I90-Y140 HydrophobicContact CD1-CE1 3.75Å; I90-Y140 HydrophobicContact CD1-CE2 4.25Å; I90-Y140 HydrophobicContact CD1-CG 3.9Å; I90-Y140 HydrophobicContact CG1-CD1 4.34Å; I90-Y140 HydrophobicContact CG1-CD2 4.44Å; I90-Y140 HydrophobicContact CG1-CE1 3.94Å; I90-Y140 HydrophobicContact CG1-CE2 4.05Å; I90-Y140 HydrophobicContact CG2-CE1 4.44Å; V96-Y140 HydrophobicContact CG1-CD2 4.35Å; V96-Y140 HydrophobicContact CG1-CG 4.33Å; A136-Y140 WeakPolarHBondContact O-CD2 3.42Å; A137-Y140 WeakPolarHBondContact O-CB 3.45Å; A137-Y140 PolarHBondContact O-N 3.19Å; A137-Y140 VanDerWaalsContact O-N 3.11Å; F138-Y140 VanDerWaalsContact C-N 3.32Å; F138-Y140 PolarHBondContact O-N 3.03Å; Y140-K142 VanDerWaalsContact C-N 3.34Å; Y140-K142 PolarHBondContact O-N 3.27Å; Y140-K143 PolarHBondContact O-N 3.08Å; Y140-Q144 WeakPolarHBondContact O-CB 3.32Å; Y140-Q144 VanDerWaalsContact O-CD 3.3Å; Y140-Q144 WeakPolarHBondContact O-CG 3.45Å; Y140-Q144 PolarHBondContact O-N 3.39Å
141M98.8Very high98.8Very high0 Ų044.1 Ų44.10%021%0.209CC..Hα-helixtrans-59.7-42.6177.1-69.4174.8172.600112.1V96 L99 A137 F138 Q144 N145 Y146 I149 V190V96-M141 HydrophobicContact CG2-CE 4.16Å; L99-M141 HydrophobicContact CB-CE 3.84Å; A137-M141 HydrophobicContact CB-CE 4.04Å; A137-M141 HydrophobicContact CB-SD 4.29Å; A137-M141 PolarHBondContact O-N 3.22Å; A137-M141 VanDerWaalsContact O-N 3.12Å; F138-M141 PolarHBondContact O-N 2.94Å; M141-Q144 CarbonylContact O-C 3.57Å; M141-Q144 PolarHBondContact O-N 3.19Å; M141-N145 PolarHBondContact O-N 2.9Å; M141-Y146 WeakPolarHBondContact CA-O 3.37Å; M141-Y146 PolarHBondContact O-N 3.35Å; M141-I149 HydrophobicContact CE-CG1 4Å; M141-I149 HydrophobicContact SD-CD1 3.86Å; M141-I149 HydrophobicContact SD-CG1 3.8Å; M141-V190 HydrophobicContact CB-CG1 4.26Å; M141-V190 HydrophobicContact CB-CG2 3.72Å; M141-V190 HydrophobicContact SD-CG1 4.1Å
142K98.6Very high98.8Very high88 Ų8840.5 Ų40.538%0.38319%0.194SC..Hα-helixtrans-60.7-45.8174.8-73.5-175.275.8163.70112.1F138 Y140 Q144 N145 N188 V190F138-K142 HydrophobicContact CD1-CD 3.64Å; F138-K142 HydrophobicContact CD1-CG 4.02Å; F138-K142 HydrophobicContact CE1-CD 3.65Å; F138-K142 HydrophobicContact CE1-CG 4.08Å; F138-K142 WeakPolarHBondContact O-CG 3.49Å; F138-K142 PolarHBondContact O-N 3.42Å; Y140-K142 VanDerWaalsContact C-N 3.34Å; Y140-K142 PolarHBondContact O-N 3.27Å; K142-Q144 VanDerWaalsContact C-N 3.27Å; K142-Q144 PolarHBondContact O-N 2.95Å; K142-N145 PolarHBondContact O-N 3.3Å; K142-N188 HydrophobicContact CB-CB 4.35Å; K142-N188 WeakPolarHBondContact CE-OD1 3.19Å; K142-N188 HydrophobicContact CG-CB 4.07Å; K142-V190 HydrophobicContact CG-CG2 4.35Å
143K98.5Very high98.7Very high194 Ų19437.2 Ų37.284%0.84318%0.179SC*.Hα-helixtrans-63.6-34.6177.9-174.9-179.5178.6-176.70112P139 Y140 N145P139-K143 WeakPolarHBondContact O-CB 3.32Å; P139-K143 PolarHBondContact O-N 3.2Å; P139-K143 VanDerWaalsContact O-N 3.08Å; Y140-K143 PolarHBondContact O-N 3.08Å; K143-N145 VanDerWaalsContact C-N 3.3Å
144Q98.3Very high98.5Very high53 Ų5338 Ų3825%0.24819%0.185CC..Hα-helixtrans-79.4-11178.1-69.9160.3-165.100113.5V96 Y140 M141 K142 Y146V96-Q144 PolarHBondContact O-NE2 3.42Å; Y140-Q144 WeakPolarHBondContact O-CB 3.32Å; Y140-Q144 VanDerWaalsContact O-CD 3.3Å; Y140-Q144 WeakPolarHBondContact O-CG 3.45Å; Y140-Q144 PolarHBondContact O-N 3.39Å; M141-Q144 CarbonylContact O-C 3.57Å; M141-Q144 PolarHBondContact O-N 3.19Å; K142-Q144 VanDerWaalsContact C-N 3.27Å; K142-Q144 PolarHBondContact O-N 2.95Å; Q144-Y146 PolarHBondContact O-N 3.19Å
145N98.3Very high98.3Very high89 Ų8939.5 Ų39.548%0.47619%0.193SC..THydrogen-bonded Turntrans49.537.6-169.5-162.754.5000112.9M141 K142 K143 N188 N189M141-N145 PolarHBondContact O-N 2.9Å; K142-N145 PolarHBondContact O-N 3.3Å; K143-N145 VanDerWaalsContact C-N 3.3Å; N145-N188 CarbonylContact C-O 3.6Å; N145-N188 WeakPolarHBondContact CA-O 3.48Å; N145-N188 WeakPolarHBondContact OD1-CA 3.41Å; N145-N188 PolarHBondContact OD1-O 3.12Å; N145-N188 VanDerWaalsContact OD1-O 3.13Å; N145-N189 WeakPolarHBondContact O-CB 3.25Å; N145-N189 PolarHBondContact O-ND2 3.09Å
146Y98.6Very high98.1Very high9 Ų935.3 Ų35.34%0.03517%0.174CC..  trans-159.7123.1177.3-173.4-86.1000109.4R13 D97 M141 Q144 R148 N189 C229 E231R13-Y146 VanDerWaalsContact NH1-CD1 3.27Å; D97-Y146 HydrophobicContact CB-CD1 3.78Å; D97-Y146 HydrophobicContact CB-CE1 3.85Å; M141-Y146 WeakPolarHBondContact CA-O 3.37Å; M141-Y146 PolarHBondContact O-N 3.35Å; Q144-Y146 PolarHBondContact O-N 3.19Å; Y146-R148 HydrophobicContact CE1-CG 3.96Å; Y146-N189 WeakPolarHBondContact CA-O 3.4Å; Y146-C229 PolarHBondContact OH-O 3.11Å; Y146-E231 HydrophobicContact CE2-CB 3.81Å; Y146-E231 PolarHBondContact OH-N 3.49Å
147G98.8Very high97.9Very high0 Ų034.4 Ų34.40%017%0.168CC..EExtended strand (participates in β ladder)trans-152143.2168.300000110.9D97 N189 V190 L191D97-G147 CarbonylContact O-C 3.41Å; D97-G147 WeakPolarHBondContact O-CA 3.44Å; G147-N189 PolarHBondContact N-O 2.91Å; G147-V190 WeakPolarHBondContact O-CA 3.38Å; G147-L191 PolarHBondContact O-N 3.22Å
148R98.9Very high97.7Very high7 Ų736.8 Ų36.83%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-131.8110.2172-61.4-71.7-176.7-88.49.6108.7D97 I98 L99 Y146 N189 L191 C229 H230D97-R148 PolarHBondContact O-N 3.13Å; I98-R148 CarbonylContact C-O 3.59Å; I98-R148 VanDerWaalsContact CA-O 3.3Å; I98-R148 WeakPolarHBondContact CA-O 3.41Å; I98-R148 HydrophobicContact CG1-CB 4.2Å; L99-R148 PolarHBondContact N-O 3.01Å; Y146-R148 HydrophobicContact CE1-CG 3.96Å; R148-N189 PolarHBondContact NH1-O 2.79Å; R148-N189 PolarHBondContact NH1-OD1 3.24Å; R148-N189 PolarHBondContact NH2-OD1 3.01Å; R148-L191 WeakPolarHBondContact CA-O 3.46Å; R148-C229 HydrophobicContact CB-CB 3.95Å; R148-C229 HydrophobicContact CG-CB 4.44Å; R148-C229 WeakPolarHBondContact CG-O 3.45Å; R148-H230 PolarHBondContact NE-O 2.82Å
149I99Very high97.5Very high0 Ų042.9 Ų42.90%020%0.203CC..EExtended strand (participates in β ladder)trans-112.1131.4-175.8-60.1159.4000108.2L99 T134 F138 M141 M151 V181 V190 L191 C192 N193L99-I149 HydrophobicContact CB-CG1 4.42Å; L99-I149 CarbonylContact O-C 3.44Å; L99-I149 WeakPolarHBondContact O-CA 3.47Å; T134-I149 HydrophobicContact CG2-CD1 3.93Å; T134-I149 HydrophobicContact CG2-CG2 4.46Å; F138-I149 HydrophobicContact CD2-CD1 4.09Å; F138-I149 HydrophobicContact CE2-CD1 4.33Å; M141-I149 HydrophobicContact CE-CG1 4Å; M141-I149 HydrophobicContact SD-CD1 3.86Å; M141-I149 HydrophobicContact SD-CG1 3.8Å; I149-M151 HydrophobicContact CG2-CE 3.95Å; I149-M151 HydrophobicContact CG2-SD 4.49Å; I149-V181 HydrophobicContact CD1-CG1 3.86Å; I149-V190 HydrophobicContact CD1-CG1 3.74Å; I149-L191 PolarHBondContact N-O 3.44Å; I149-C192 HydrophobicContact CB-CB 4.22Å; I149-C192 WeakPolarHBondContact O-CA 3.41Å; I149-N193 PolarHBondContact O-N 2.95Å
150I98.9Very high97.3Very high1 Ų140.7 Ų40.71%0.00520%0.196CC..EExtended strand (participates in β ladder)trans-116.4124.8174.9-56.9-64.9000108.4L99 V100 N101 N193 I195 V225 L228 C229L99-I150 PolarHBondContact O-N 3.05Å; V100-I150 HydrophobicContact CB-CB 4.44Å; V100-I150 HydrophobicContact CG1-CB 4.14Å; V100-I150 HydrophobicContact CG1-CG2 4.26Å; V100-I150 HydrophobicContact CG2-CB 4.28Å; V100-I150 HydrophobicContact CG2-CG1 4.26Å; N101-I150 WeakPolarHBondContact CB-O 3.33Å; N101-I150 PolarHBondContact N-O 2.89Å; I150-N193 WeakPolarHBondContact CA-O 3.29Å; I150-N193 HydrophobicContact CD1-CB 4.19Å; I150-I195 HydrophobicContact CG2-CB 4.07Å; I150-I195 HydrophobicContact CG2-CG2 3.55Å; I150-V225 HydrophobicContact CG1-CG1 4.21Å; I150-V225 HydrophobicContact CG2-CG1 4.45Å; I150-L228 HydrophobicContact CD1-CB 3.69Å; I150-L228 HydrophobicContact CD1-CD1 4.09Å; I150-C229 WeakPolarHBondContact CG1-SG 3.32Å
151M98.9Very high97Very high0 Ų040.6 Ų40.60%020%0.202CC..EExtended strand (participates in β ladder)trans-97.4131.1167.4-59-61.7-177.300109.2N101 T134 I149 L174 L177 A178 N193 V194 I195N101-M151 HydrophobicContact CB-SD 4.07Å; N101-M151 PolarHBondContact ND2-SD 3.27Å; N101-M151 VanDerWaalsContact ND2-SD 3.41Å; T134-M151 HydrophobicContact CG2-CE 4.27Å; T134-M151 WeakPolarHBondContact OG1-CE 3.44Å; I149-M151 HydrophobicContact CG2-CE 3.95Å; I149-M151 HydrophobicContact CG2-SD 4.49Å; M151-L174 HydrophobicContact CB-CB 4.32Å; M151-L174 HydrophobicContact SD-CD2 4.23Å; M151-L177 HydrophobicContact CE-CD2 3.72Å; M151-L177 HydrophobicContact CE-CG 3.92Å; M151-L177 HydrophobicContact SD-CD2 4.29Å; M151-A178 HydrophobicContact CB-CB 4.4Å; M151-A178 HydrophobicContact CG-CB 3.89Å; M151-N193 PolarHBondContact N-O 2.77Å; M151-V194 HydrophobicContact CB-CG2 4.28Å; M151-V194 CarbonylContact O-C 3.53Å; M151-V194 VanDerWaalsContact O-CA 3.29Å; M151-V194 WeakPolarHBondContact O-CA 3.31Å; M151-V194 WeakPolarHBondContact O-CG1 3.47Å; M151-I195 PolarHBondContact O-N 3.27Å
152T98.6Very high96.7Very high6 Ų649.2 Ų49.24%0.03724%0.24CC..EExtended strand (participates in β ladder)trans-94.9102.7177.6-60.70000110.9N101 K171 L174 I195 P197N101-T152 WeakPolarHBondContact O-CB 3.49Å; N101-T152 PolarHBondContact O-N 2.91Å; N101-T152 PolarHBondContact O-OG1 2.97Å; T152-K171 WeakPolarHBondContact O-CD 3.29Å; T152-K171 PolarHBondContact O-NZ 3.17Å; T152-L174 WeakPolarHBondContact O-CD1 3.48Å; T152-I195 HydrophobicContact CG2-CG2 4.23Å; T152-P197 HydrophobicContact CG2-CG 3.84Å
153S97.7Very high96.5Very high1 Ų145.6 Ų45.61%0.00723%0.228CC..  trans-89.9-153.9172.1-166.30000111.2K171 I195S153-K171 PolarHBondContact O-NZ 2.8Å; S153-K171 PolarHBondContact OG-O 2.83Å; S153-I195 PolarHBondContact N-O 2.74Å
154S95.8Very high96.3Very high18 Ų1837.2 Ų37.213%0.12619%0.191CC..  trans-163.9150.7-176.7175.30000109.9S156 G157 I158S154-S156 WeakPolarHBondContact CB-OG 3.1Å; S154-S156 PolarHBondContact O-N 2.95Å; S154-S156 PolarHBondContact OG-N 3.01Å; S154-S156 VanDerWaalsContact OG-N 3.12Å; S154-S156 PolarHBondContact OG-OG 2.96Å; S154-G157 WeakPolarHBondContact O-CA 3.48Å; S154-G157 PolarHBondContact O-N 2.86Å; S154-I158 PolarHBondContact O-N 3.37Å
155N94.6Very high96.3Very high36 Ų3636.9 Ų36.919%0.19319%0.193CC..Hα-helixtrans-56.6-34.4169.1-80.3-16.7000111.4G157 I158 Y159 V196 T198 E241N155-G157 VanDerWaalsContact C-N 3.25Å; N155-G157 PolarHBondContact O-N 2.92Å; N155-I158 PolarHBondContact O-N 2.85Å; N155-Y159 HydrophobicContact CB-CD2 4.11Å; N155-Y159 HydrophobicContact CB-CE2 4.44Å; N155-Y159 VanDerWaalsContact O-CD2 3.28Å; N155-Y159 WeakPolarHBondContact O-CD2 3.41Å; N155-Y159 PolarHBondContact O-N 2.9Å; N155-V196 VanDerWaalsContact N-CG1 3.33Å; N155-V196 VanDerWaalsContact OD1-CG1 3.31Å; N155-V196 WeakPolarHBondContact OD1-CG1 3.24Å; N155-T198 PolarHBondContact ND2-OG1 2.87Å; N155-E241 PolarHBondContact ND2-OE1 2.99Å; N155-E241 PolarHBondContact OD1-OE1 3.12Å
156S93.4Very high96.2Very high11 Ų1132.7 Ų32.78%0.07717%0.17CC..Hα-helixtrans-64.1-29.1172.7670000113.2S154 G160 Y167 T168S154-S156 WeakPolarHBondContact CB-OG 3.1Å; S154-S156 PolarHBondContact O-N 2.95Å; S154-S156 PolarHBondContact OG-N 3.01Å; S154-S156 VanDerWaalsContact OG-N 3.12Å; S154-S156 PolarHBondContact OG-OG 2.96Å; S156-G160 CarbonylContact O-C 3.47Å; S156-G160 WeakPolarHBondContact O-CA 3.39Å; S156-G160 PolarHBondContact O-N 3.13Å; S156-Y167 WeakPolarHBondContact OG-CD1 3.33Å; S156-Y167 WeakPolarHBondContact OG-CE1 3.06Å; S156-T168 WeakPolarHBondContact O-CG2 3.38Å; S156-T168 PolarHBondContact O-OG1 3.28Å
157G94.6Very high96.2Very high3 Ų333.8 Ų33.83%0.03118%0.175CC..Hα-helixtrans-61.8-56170.500000109.4S154 N155 M172S154-G157 WeakPolarHBondContact O-CA 3.48Å; S154-G157 PolarHBondContact O-N 2.86Å; N155-G157 VanDerWaalsContact C-N 3.25Å; N155-G157 PolarHBondContact O-N 2.92Å; G157-M172 WeakPolarHBondContact O-CG 3.38Å
158I95.2Very high96.1Very high49 Ų4935 Ų3525%0.25118%0.182SC..Hα-helixtrans-68.9-43.8-171.5-64.8151000112.7S154 N155 M172 I175 V196 L250S154-I158 PolarHBondContact O-N 3.37Å; N155-I158 PolarHBondContact O-N 2.85Å; I158-M172 VanDerWaalsContact CA-SD 3.52Å; I158-M172 HydrophobicContact CB-SD 4.37Å; I158-M172 HydrophobicContact CG1-SD 3.97Å; I158-I175 HydrophobicContact CD1-CD1 4.25Å; I158-I175 HydrophobicContact CG1-CD1 3.79Å; I158-V196 HydrophobicContact CD1-CB 4.4Å; I158-V196 HydrophobicContact CD1-CG1 3.75Å; I158-V196 HydrophobicContact CD1-CG2 3.82Å; I158-L250 HydrophobicContact CD1-CD1 3.47Å; I158-L250 VanDerWaalsContact CD1-CD1 3.47Å
159Y94.8Very high96.1Very high154 Ų15436.6 Ų36.660%0.60420%0.197SC*.Hα-helixtrans-106.5-6.8-170.7-54.8-65.7000113.7N155N155-Y159 HydrophobicContact CB-CD2 4.11Å; N155-Y159 HydrophobicContact CB-CE2 4.44Å; N155-Y159 VanDerWaalsContact O-CD2 3.28Å; N155-Y159 WeakPolarHBondContact O-CD2 3.41Å; N155-Y159 PolarHBondContact O-N 2.9Å
160G93.6Very high96Very high37 Ų3736.6 Ų36.638%0.38120%0.197SC..  trans74.7158-168.600000112.6S156S156-G160 CarbonylContact O-C 3.47Å; S156-G160 WeakPolarHBondContact O-CA 3.39Å; S156-G160 PolarHBondContact O-N 3.13Å
161N93.5Very high96Very high97 Ų9736.9 Ų36.952%0.51920%0.198SC..  trans-150.8142.7168.6-171.125.8000110.2G163 Q164N161-G163 PolarHBondContact O-N 2.62Å; N161-Q164 HydrophobicContact CB-CB 4.32Å; N161-Q164 HydrophobicContact CB-CG 4.37Å; N161-Q164 PolarHBondContact ND2-OE1 2.76Å; N161-Q164 PolarHBondContact O-N 3.37Å
162F92.9Very high96Very high180 Ų18039.9 Ų39.979%0.78921%0.213SC*.THydrogen-bonded Turntrans-62.6135.5-179.3178.9-94.9000110.7Q164F162-Q164 VanDerWaalsContact C-N 3.29Å; F162-Q164 PolarHBondContact O-N 3.41Å
163G93.9Very high96Very high13 Ų1340.7 Ų40.713%0.13422%0.223CC..THydrogen-bonded Turntrans805.2179.800000114.9D108 R109 N161D108-G163 CarbonylContact C-O 3.55Å; D108-G163 WeakPolarHBondContact CA-O 3.4Å; R109-G163 CarbonylContact C-O 3.52Å; R109-G163 PolarHBondContact N-O 3.43Å; R109-G163 CarbonylContact O-C 3.16Å; R109-G163 VanDerWaalsContact O-CA 3.31Å; R109-G163 WeakPolarHBondContact O-CA 3.08Å; N161-G163 PolarHBondContact O-N 2.62Å
164Q95.1Very high96Very high17 Ų1740.7 Ų40.78%0.07922%0.222CC..BIsolated β-bridgetrans-121.937.9-175-63.5-160.4-52.700112.6D108 N161 F162 N166 Y167 T168D108-Q164 PolarHBondContact OD1-NE2 3.4Å; D108-Q164 PolarHBondContact OD2-NE2 2.87Å; N161-Q164 HydrophobicContact CB-CB 4.32Å; N161-Q164 HydrophobicContact CB-CG 4.37Å; N161-Q164 PolarHBondContact ND2-OE1 2.76Å; N161-Q164 PolarHBondContact O-N 3.37Å; F162-Q164 VanDerWaalsContact C-N 3.29Å; F162-Q164 PolarHBondContact O-N 3.41Å; Q164-N166 PolarHBondContact O-N 3.4Å; Q164-Y167 HydrophobicContact CB-CD1 4.47Å; Q164-Y167 PolarHBondContact O-N 2.9Å; Q164-T168 WeakPolarHBondContact O-CA 3.39Å; Q164-T168 WeakPolarHBondContact O-CB 3.26Å; Q164-T168 PolarHBondContact O-N 3.21Å; Q164-T168 PolarHBondContact O-OG1 3.35Å
165V97.1Very high96.1Very high47 Ų4740 Ų4029%0.28522%0.217SC..Hα-helixtrans-60.8-44.9-174.565.60000112.8L111 T114 W119 A169L111-V165 HydrophobicContact CD1-CB 4.38Å; L111-V165 HydrophobicContact CD1-CG1 4.31Å; L111-V165 HydrophobicContact CD1-CG2 3.81Å; T114-V165 HydrophobicContact CG2-CG1 4.15Å; T114-V165 VanDerWaalsContact OG1-CG1 3.31Å; T114-V165 WeakPolarHBondContact OG1-CG1 3.48Å; W119-V165 HydrophobicContact CZ3-CG2 4.39Å; V165-A169 WeakPolarHBondContact O-CB 3.28Å; V165-A169 PolarHBondContact O-N 3.01Å; V165-A169 VanDerWaalsContact O-N 3.12Å
166N97.4Very high96.3Very high0 Ų040.1 Ų40.10%023%0.227CC..Hα-helixtrans-65.2-46.8176.952.5-3.9000111.4R107 T114 D118 W119 V122 Q164 A170R107-N166 PolarHBondContact O-ND2 2.82Å; T114-N166 HydrophobicContact CG2-CB 4.41Å; D118-N166 PolarHBondContact O-ND2 2.83Å; W119-N166 HydrophobicContact CD2-CB 4.43Å; W119-N166 HydrophobicContact CE3-CB 3.73Å; W119-N166 HydrophobicContact CZ3-CB 4.25Å; V122-N166 HydrophobicContact CB-CB 4.17Å; V122-N166 HydrophobicContact CG1-CB 4.09Å; Q164-N166 PolarHBondContact O-N 3.4Å; N166-A170 WeakPolarHBondContact O-CB 3.46Å; N166-A170 PolarHBondContact O-N 3Å
167Y96.9Very high96.6Very high32 Ų3241.1 Ų41.113%0.12523%0.232CC..Hα-helixtrans-67.8-45.4-178.2-177-103.6000112L106 V122 H126 S156 Q164 A169 A170 K171L106-Y167 HydrophobicContact CD2-CD1 4.31Å; L106-Y167 HydrophobicContact CD2-CD2 3.69Å; L106-Y167 HydrophobicContact CD2-CE1 4.27Å; L106-Y167 HydrophobicContact CD2-CE2 3.63Å; L106-Y167 HydrophobicContact CD2-CG 4.04Å; V122-Y167 HydrophobicContact CG1-CD2 4.45Å; H126-Y167 AromaticContact CE1-CE2 3.52Å; H126-Y167 AromaticContact NE2-CD2 3.69Å; H126-Y167 AromaticContact NE2-CE2 3.56Å; S156-Y167 WeakPolarHBondContact OG-CD1 3.33Å; S156-Y167 WeakPolarHBondContact OG-CE1 3.06Å; Q164-Y167 HydrophobicContact CB-CD1 4.47Å; Q164-Y167 PolarHBondContact O-N 2.9Å; Y167-A169 PolarHBondContact O-N 3.18Å; Y167-A170 PolarHBondContact O-N 2.73Å; Y167-K171 HydrophobicContact CD1-CG 4.14Å; Y167-K171 HydrophobicContact CD2-CG 4.27Å; Y167-K171 HydrophobicContact CE1-CG 3.91Å; Y167-K171 HydrophobicContact CE2-CD 4.27Å; Y167-K171 HydrophobicContact CE2-CG 4.05Å; Y167-K171 HydrophobicContact CG-CG 4.31Å; Y167-K171 VanDerWaalsContact O-CB 3.31Å; Y167-K171 WeakPolarHBondContact O-CB 3.16Å; Y167-K171 WeakPolarHBondContact O-CG 3.26Å; Y167-K171 PolarHBondContact O-N 3.05Å; Y167-K171 VanDerWaalsContact OH-CE 3.26Å; Y167-K171 WeakPolarHBondContact OH-CE 3.36Å
168T97.3Very high96.7Very high26 Ų2641 Ų4116%0.1623%0.23CC..Hα-helixtrans-56.6-49.7174.7-62.50000110.8S156 Q164 A170 K171 M172S156-T168 WeakPolarHBondContact O-CG2 3.38Å; S156-T168 PolarHBondContact O-OG1 3.28Å; Q164-T168 WeakPolarHBondContact O-CA 3.39Å; Q164-T168 WeakPolarHBondContact O-CB 3.26Å; Q164-T168 PolarHBondContact O-N 3.21Å; Q164-T168 PolarHBondContact O-OG1 3.35Å; T168-A170 PolarHBondContact O-N 3.04Å; T168-K171 PolarHBondContact O-N 2.89Å; T168-M172 PolarHBondContact O-N 3.24Å
169A98.4Very high96.9Very high41 Ų4140.8 Ų40.834%0.33923%0.23SC..Hα-helixtrans-59.9-47.417800000111.8W119 V165 Y167 K171 G173W119-A169 HydrophobicContact CH2-CB 3.89Å; W119-A169 HydrophobicContact CZ3-CB 4.36Å; V165-A169 WeakPolarHBondContact O-CB 3.28Å; V165-A169 PolarHBondContact O-N 3.01Å; V165-A169 VanDerWaalsContact O-N 3.12Å; Y167-A169 PolarHBondContact O-N 3.18Å; A169-K171 PolarHBondContact O-N 3.47Å; A169-G173 PolarHBondContact O-N 2.81Å
170A98.5Very high97Very high0 Ų037 Ų370%022%0.222CC..Hα-helixtrans-62.6-42.2178.400000112.3V122 H126 L127 N166 Y167 T168 G173 L174V122-A170 HydrophobicContact CG1-CB 4.32Å; H126-A170 HydrophobicContact CB-CB 3.95Å; L127-A170 HydrophobicContact CB-CB 4.45Å; N166-A170 WeakPolarHBondContact O-CB 3.46Å; N166-A170 PolarHBondContact O-N 3Å; Y167-A170 PolarHBondContact O-N 2.73Å; T168-A170 PolarHBondContact O-N 3.04Å; A170-G173 PolarHBondContact O-N 3.08Å; A170-L174 PolarHBondContact O-N 3.49Å; A170-L174 VanDerWaalsContact O-N 3.09Å
171K98.4Very high97.3Very high6 Ų635.8 Ų35.83%0.02621%0.208CC..Hα-helixtrans-71.1-34.2-177.7-69.3-74.6174.8167.90113.2H126 T152 S153 Y167 T168 A169 L174H126-K171 VanDerWaalsContact CE1-CE 3.48Å; H126-K171 WeakPolarHBondContact CE1-CE 3.12Å; H126-K171 VanDerWaalsContact ND1-CE 3.33Å; H126-K171 WeakPolarHBondContact ND1-CE 3.4Å; T152-K171 WeakPolarHBondContact O-CD 3.29Å; T152-K171 PolarHBondContact O-NZ 3.17Å; S153-K171 PolarHBondContact O-NZ 2.8Å; S153-K171 PolarHBondContact OG-O 2.83Å; Y167-K171 HydrophobicContact CD1-CG 4.14Å; Y167-K171 HydrophobicContact CD2-CG 4.27Å; Y167-K171 HydrophobicContact CE1-CG 3.91Å; Y167-K171 HydrophobicContact CE2-CD 4.27Å; Y167-K171 HydrophobicContact CE2-CG 4.05Å; Y167-K171 HydrophobicContact CG-CG 4.31Å; Y167-K171 VanDerWaalsContact O-CB 3.31Å; Y167-K171 WeakPolarHBondContact O-CB 3.16Å; Y167-K171 WeakPolarHBondContact O-CG 3.26Å; Y167-K171 PolarHBondContact O-N 3.05Å; Y167-K171 VanDerWaalsContact OH-CE 3.26Å; Y167-K171 WeakPolarHBondContact OH-CE 3.36Å; T168-K171 PolarHBondContact O-N 2.89Å; A169-K171 PolarHBondContact O-N 3.47Å; K171-L174 HydrophobicContact CD-CD1 4.18Å; K171-L174 PolarHBondContact O-N 3.4Å
172M98.1Very high97.5Very high63 Ų6331.3 Ų31.331%0.3119%0.185SC..Hα-helixtrans-71.7-35.9167.9-75.2-56.5-76.700112.6G157 I158 T168 L174 I175 G176 M252G157-M172 WeakPolarHBondContact O-CG 3.38Å; I158-M172 VanDerWaalsContact CA-SD 3.52Å; I158-M172 HydrophobicContact CB-SD 4.37Å; I158-M172 HydrophobicContact CG1-SD 3.97Å; T168-M172 PolarHBondContact O-N 3.24Å; M172-L174 PolarHBondContact O-N 3.35Å; M172-I175 HydrophobicContact CE-CD1 4.43Å; M172-I175 WeakPolarHBondContact O-CB 3.28Å; M172-I175 PolarHBondContact O-N 2.74Å; M172-I175 HydrophobicContact SD-CD1 3.8Å; M172-G176 PolarHBondContact O-N 3.13Å; M172-G176 VanDerWaalsContact O-N 3.16Å; M172-M252 HydrophobicContact CE-CE 4.49Å
173G98.6Very high97.8Very high23 Ų2329 Ų2924%0.23718%0.179CC..Hα-helixtrans-55.4-35172.500000112.6A169 A170 G176 L177A169-G173 PolarHBondContact O-N 2.81Å; A170-G173 PolarHBondContact O-N 3.08Å; G173-G176 PolarHBondContact O-N 3.22Å; G173-L177 WeakPolarHBondContact O-CB 3.26Å; G173-L177 PolarHBondContact O-N 3.37Å
174L98.8Very high98Very high1 Ų134.1 Ų34.11%0.00520%0.199CC..Hα-helixtrans-66.2-34.1175.6-71.1174.3000113.7L127 S130 M151 T152 A170 K171 M172 L177 A178L127-L174 HydrophobicContact CD1-CD2 4.01Å; L127-L174 HydrophobicContact CD1-CG 4.33Å; S130-L174 VanDerWaalsContact CB-CD2 3.49Å; S130-L174 WeakPolarHBondContact OG-CD2 3.42Å; M151-L174 HydrophobicContact CB-CB 4.32Å; M151-L174 HydrophobicContact SD-CD2 4.23Å; T152-L174 WeakPolarHBondContact O-CD1 3.48Å; A170-L174 PolarHBondContact O-N 3.49Å; A170-L174 VanDerWaalsContact O-N 3.09Å; K171-L174 HydrophobicContact CD-CD1 4.18Å; K171-L174 PolarHBondContact O-N 3.4Å; M172-L174 PolarHBondContact O-N 3.35Å; L174-L177 HydrophobicContact CD2-CD2 4.4Å; L174-A178 VanDerWaalsContact O-CB 3.31Å; L174-A178 WeakPolarHBondContact O-CB 3.34Å; L174-A178 PolarHBondContact O-N 3.12Å
175I98.3Very high98.1Very high4 Ų433.3 Ų33.32%0.02120%0.196CC..Hα-helixtrans-66.2-47.4173-70.8171.4000109.7I158 M172 L177 A178 N179 V194 Y239 M252I158-I175 HydrophobicContact CD1-CD1 4.25Å; I158-I175 HydrophobicContact CG1-CD1 3.79Å; M172-I175 HydrophobicContact CE-CD1 4.43Å; M172-I175 WeakPolarHBondContact O-CB 3.28Å; M172-I175 PolarHBondContact O-N 2.74Å; M172-I175 HydrophobicContact SD-CD1 3.8Å; I175-L177 VanDerWaalsContact C-N 3.32Å; I175-L177 PolarHBondContact O-N 3.27Å; I175-A178 PolarHBondContact O-N 3.22Å; I175-N179 VanDerWaalsContact O-CG 3.27Å; I175-N179 PolarHBondContact O-N 3.1Å; I175-N179 PolarHBondContact O-OD1 3.05Å; I175-V194 HydrophobicContact CG1-CG1 4.02Å; I175-V194 HydrophobicContact CG1-CG2 4.22Å; I175-Y239 HydrophobicContact CG2-CD1 4.31Å; I175-Y239 HydrophobicContact CG2-CD2 4.28Å; I175-Y239 HydrophobicContact CG2-CE1 3.78Å; I175-Y239 HydrophobicContact CG2-CE2 3.73Å; I175-Y239 VanDerWaalsContact CG2-CZ 3.46Å; I175-M252 HydrophobicContact CG2-CE 4.36Å
176G98Very high98.2Very high39 Ų3933.5 Ų33.540%0.40220%0.202SC..Hα-helixtrans-58.6-42.6175.600000112.7M172 G173 N179 T180M172-G176 PolarHBondContact O-N 3.13Å; M172-G176 VanDerWaalsContact O-N 3.16Å; G173-G176 PolarHBondContact O-N 3.22Å; G176-N179 PolarHBondContact O-N 3.15Å; G176-T180 PolarHBondContact O-N 3.32Å
177L98.7Very high98.2Very high32 Ų3244.8 Ų44.817%0.16825%0.245CC..Hα-helixtrans-62.8-45.9174.9178.762.8000111.7L127 F131 M151 G173 L174 I175 N179 T180 V181L127-L177 HydrophobicContact CD1-CB 4.49Å; L127-L177 HydrophobicContact CD1-CD2 4.36Å; F131-L177 HydrophobicContact CB-CD2 3.98Å; F131-L177 HydrophobicContact CD2-CD1 4.07Å; M151-L177 HydrophobicContact CE-CD2 3.72Å; M151-L177 HydrophobicContact CE-CG 3.92Å; M151-L177 HydrophobicContact SD-CD2 4.29Å; G173-L177 WeakPolarHBondContact O-CB 3.26Å; G173-L177 PolarHBondContact O-N 3.37Å; L174-L177 HydrophobicContact CD2-CD2 4.4Å; I175-L177 VanDerWaalsContact C-N 3.32Å; I175-L177 PolarHBondContact O-N 3.27Å; L177-N179 VanDerWaalsContact C-N 3.29Å; L177-N179 PolarHBondContact O-N 2.93Å; L177-T180 PolarHBondContact O-N 3.06Å; L177-V181 HydrophobicContact CD1-CG2 4.03Å; L177-V181 HydrophobicContact CG-CG2 4.29Å; L177-V181 VanDerWaalsContact O-CG2 3.28Å; L177-V181 WeakPolarHBondContact O-CG2 3.27Å; L177-V181 PolarHBondContact O-N 3.38Å
178A98.6Very high98.3Very high0 Ų045.4 Ų45.40%025%0.25CS..Hα-helixtrans-58.5-41.5179.800000112M151 L174 I175 T180 V181 A182 V194M151-A178 HydrophobicContact CB-CB 4.4Å; M151-A178 HydrophobicContact CG-CB 3.89Å; L174-A178 VanDerWaalsContact O-CB 3.31Å; L174-A178 WeakPolarHBondContact O-CB 3.34Å; L174-A178 PolarHBondContact O-N 3.12Å; I175-A178 PolarHBondContact O-N 3.22Å; A178-T180 PolarHBondContact O-N 3.38Å; A178-V181 PolarHBondContact O-N 2.82Å; A178-A182 VanDerWaalsContact O-CB 3.24Å; A178-A182 WeakPolarHBondContact O-CB 3.41Å; A178-A182 PolarHBondContact O-N 2.91Å; A178-V194 HydrophobicContact CB-CG2 3.36Å
179N97.5Very high98.3Very high44 Ų4446.7 Ų46.724%0.23526%0.256CS..Hα-helixtrans-57.9-49.5179.2-68.7-12.7000112.2I175 G176 L177 A182 I183 Y239I175-N179 VanDerWaalsContact O-CG 3.27Å; I175-N179 PolarHBondContact O-N 3.1Å; I175-N179 PolarHBondContact O-OD1 3.05Å; G176-N179 PolarHBondContact O-N 3.15Å; L177-N179 VanDerWaalsContact C-N 3.29Å; L177-N179 PolarHBondContact O-N 2.93Å; N179-A182 PolarHBondContact O-N 3.35Å; N179-I183 WeakPolarHBondContact O-CD1 3.48Å; N179-I183 VanDerWaalsContact O-CG1 3.28Å; N179-I183 WeakPolarHBondContact O-CG1 3.26Å; N179-I183 PolarHBondContact O-N 3Å; N179-I183 VanDerWaalsContact O-N 3.16Å; N179-Y239 VanDerWaalsContact CG-OH 3.26Å; N179-Y239 PolarHBondContact ND2-OH 2.96Å; N179-Y239 WeakPolarHBondContact OD1-CE1 3.46Å; N179-Y239 PolarHBondContact OD1-OH 3.27Å
180T98.5Very high98.4Very high74 Ų7444.8 Ų44.845%0.45424%0.24SC..Hα-helixtrans-67.6-41.9179.5-56.90000111.4G176 L177 A178 A182 I183 E184G176-T180 PolarHBondContact O-N 3.32Å; L177-T180 PolarHBondContact O-N 3.06Å; A178-T180 PolarHBondContact O-N 3.38Å; T180-A182 VanDerWaalsContact C-N 3.33Å; T180-A182 PolarHBondContact O-N 3.43Å; T180-I183 PolarHBondContact O-N 2.69Å; T180-E184 HydrophobicContact CG2-CG 4.33Å; T180-E184 WeakPolarHBondContact O-CG 3.42Å; T180-E184 PolarHBondContact O-N 2.78Å
181V98.8Very high98.4Very high12 Ų1245.5 Ų45.57%0.07324%0.244CC..Hα-helixtrans-63.1-40.1177.9175.80000111.3T134 F138 I149 L177 A178 I183 E184 G185 C192T134-V181 HydrophobicContact CG2-CG1 4.03Å; T134-V181 HydrophobicContact CG2-CG2 4.13Å; F138-V181 HydrophobicContact CD2-CG1 4.38Å; F138-V181 HydrophobicContact CE2-CG1 3.79Å; I149-V181 HydrophobicContact CD1-CG1 3.86Å; L177-V181 HydrophobicContact CD1-CG2 4.03Å; L177-V181 HydrophobicContact CG-CG2 4.29Å; L177-V181 VanDerWaalsContact O-CG2 3.28Å; L177-V181 WeakPolarHBondContact O-CG2 3.27Å; L177-V181 PolarHBondContact O-N 3.38Å; A178-V181 PolarHBondContact O-N 2.82Å; V181-I183 VanDerWaalsContact C-N 3.32Å; V181-I183 PolarHBondContact O-N 3.2Å; V181-E184 PolarHBondContact O-N 3.17Å; V181-G185 PolarHBondContact O-N 2.8Å; V181-C192 HydrophobicContact CB-CB 4.07Å; V181-C192 HydrophobicContact CG1-CB 3.69Å
182A98.5Very high98.4Very high4 Ų445.2 Ų45.23%0.03324%0.243CC..Hα-helixtrans-60.4-41.8175.800000111.8A178 N179 T180 A186 C192 N236A178-A182 VanDerWaalsContact O-CB 3.24Å; A178-A182 WeakPolarHBondContact O-CB 3.41Å; A178-A182 PolarHBondContact O-N 2.91Å; N179-A182 PolarHBondContact O-N 3.35Å; T180-A182 VanDerWaalsContact C-N 3.33Å; T180-A182 PolarHBondContact O-N 3.43Å; A182-A186 WeakPolarHBondContact O-CB 3.17Å; A182-A186 PolarHBondContact O-N 2.67Å; A182-C192 HydrophobicContact CB-CB 4.15Å; A182-N236 WeakPolarHBondContact CA-OD1 3.2Å; A182-N236 VanDerWaalsContact CB-OD1 3.26Å; A182-N236 WeakPolarHBondContact CB-OD1 3.31Å; A182-N236 PolarHBondContact O-ND2 2.85Å
183I98.1Very high98.4Very high131 Ų13142.3 Ų42.367%0.67223%0.228SC*.Hα-helixtrans-67.7-49.5177.3-66.9163.3000110.9N179 T180 V181 G185N179-I183 WeakPolarHBondContact O-CD1 3.48Å; N179-I183 VanDerWaalsContact O-CG1 3.28Å; N179-I183 WeakPolarHBondContact O-CG1 3.26Å; N179-I183 PolarHBondContact O-N 3Å; N179-I183 VanDerWaalsContact O-N 3.16Å; T180-I183 PolarHBondContact O-N 2.69Å; V181-I183 VanDerWaalsContact C-N 3.32Å; V181-I183 PolarHBondContact O-N 3.2Å; I183-G185 VanDerWaalsContact C-N 3.29Å; I183-G185 PolarHBondContact O-N 2.87Å
184E98.4Very high98.5Very high121 Ų12141.2 Ų41.257%0.56522%0.217SC*.Hα-helixtrans-67.5-29.4-178-71.6-174.8-172.800113F138 T180 V181F138-E184 HydrophobicContact CE1-CB 4.47Å; F138-E184 HydrophobicContact CZ-CB 4.12Å; T180-E184 HydrophobicContact CG2-CG 4.33Å; T180-E184 WeakPolarHBondContact O-CG 3.42Å; T180-E184 PolarHBondContact O-N 2.78Å; V181-E184 PolarHBondContact O-N 3.17Å
185G98.6Very high98.5Very high0 Ų041.1 Ų41.10%022%0.217CC..Hα-helixtrans-86.6-22.3-177.200000114.9V181 I183 R187 N188 N189 V190V181-G185 PolarHBondContact O-N 2.8Å; I183-G185 VanDerWaalsContact C-N 3.29Å; I183-G185 PolarHBondContact O-N 2.87Å; G185-R187 VanDerWaalsContact C-N 3.33Å; G185-R187 PolarHBondContact O-N 2.93Å; G185-N188 CarbonylContact O-C 3.6Å; G185-N188 PolarHBondContact O-N 2.88Å; G185-N189 PolarHBondContact O-N 3.28Å; G185-V190 CarbonylContact C-O 3.57Å; G185-V190 VanDerWaalsContact CA-O 3.26Å; G185-V190 WeakPolarHBondContact CA-O 3.4Å; G185-V190 PolarHBondContact O-N 2.99Å
186A97.9Very high98.4Very high51 Ų5141 Ų4142%0.42122%0.216SC..G310 helixtrans-52.9-45.4-170.900000113.5A182 N188 N189A182-A186 WeakPolarHBondContact O-CB 3.17Å; A182-A186 PolarHBondContact O-N 2.67Å; A186-N188 PolarHBondContact O-N 2.83Å; A186-N188 VanDerWaalsContact O-N 3.1Å; A186-N189 PolarHBondContact O-N 2.79Å
187R97.9Very high98.4Very high237 Ų23740 Ų4089%0.89420%0.202SC*.G310 helixtrans-65.9-13.7-178.8-67.7-174.9-179.4178.30.7114.3G185G185-R187 VanDerWaalsContact C-N 3.33Å; G185-R187 PolarHBondContact O-N 2.93Å
188N98.5Very high98Very high45 Ų4540.6 Ų40.624%0.24121%0.208CC..G310 helixtrans-118.618.7-178.4-63.1109.6000112.4K142 N145 G185 A186 V190K142-N188 HydrophobicContact CB-CB 4.35Å; K142-N188 WeakPolarHBondContact CE-OD1 3.19Å; K142-N188 HydrophobicContact CG-CB 4.07Å; N145-N188 CarbonylContact C-O 3.6Å; N145-N188 WeakPolarHBondContact CA-O 3.48Å; N145-N188 WeakPolarHBondContact OD1-CA 3.41Å; N145-N188 PolarHBondContact OD1-O 3.12Å; N145-N188 VanDerWaalsContact OD1-O 3.13Å; G185-N188 CarbonylContact O-C 3.6Å; G185-N188 PolarHBondContact O-N 2.88Å; A186-N188 PolarHBondContact O-N 2.83Å; A186-N188 VanDerWaalsContact O-N 3.1Å; N188-V190 HydrophobicContact CB-CG2 4.21Å; N188-V190 PolarHBondContact O-N 2.95Å; N188-V190 VanDerWaalsContact O-N 3.15Å
189N98.4Very high97.2Very high53 Ų5342 Ų4228%0.28322%0.219SC..THydrogen-bonded Turntrans52.136.5-176.6-178.433000112.3N145 Y146 G147 R148 G185 A186N145-N189 WeakPolarHBondContact O-CB 3.25Å; N145-N189 PolarHBondContact O-ND2 3.09Å; Y146-N189 WeakPolarHBondContact CA-O 3.4Å; G147-N189 PolarHBondContact N-O 2.91Å; R148-N189 PolarHBondContact NH1-O 2.79Å; R148-N189 PolarHBondContact NH1-OD1 3.24Å; R148-N189 PolarHBondContact NH2-OD1 3.01Å; G185-N189 PolarHBondContact O-N 3.28Å; A186-N189 PolarHBondContact O-N 2.79Å
190V98.8Very high96.3Very high0 Ų041.1 Ų41.10%022%0.218CC..EExtended strand (participates in β ladder)trans-102.9102.6170.6-1780000106.8F138 M141 K142 G147 I149 G185 N188F138-V190 HydrophobicContact CD2-CG1 3.95Å; F138-V190 HydrophobicContact CE2-CB 4.31Å; F138-V190 HydrophobicContact CE2-CG1 3.58Å; F138-V190 HydrophobicContact CZ-CG1 4.41Å; M141-V190 HydrophobicContact CB-CG1 4.26Å; M141-V190 HydrophobicContact CB-CG2 3.72Å; M141-V190 HydrophobicContact SD-CG1 4.1Å; K142-V190 HydrophobicContact CG-CG2 4.35Å; G147-V190 WeakPolarHBondContact O-CA 3.38Å; I149-V190 HydrophobicContact CD1-CG1 3.74Å; G185-V190 CarbonylContact C-O 3.57Å; G185-V190 VanDerWaalsContact CA-O 3.26Å; G185-V190 WeakPolarHBondContact CA-O 3.4Å; G185-V190 PolarHBondContact O-N 2.99Å; N188-V190 HydrophobicContact CB-CG2 4.21Å; N188-V190 PolarHBondContact O-N 2.95Å; N188-V190 VanDerWaalsContact O-N 3.15Å
191L98.9Very high94.8Very high16 Ų1640.3 Ų40.38%0.08422%0.215CC..EExtended strand (participates in β ladder)trans-98.9141.2-176.4-46.5-176.2000109.7G147 R148 I149 N236G147-L191 PolarHBondContact O-N 3.22Å; R148-L191 WeakPolarHBondContact CA-O 3.46Å; I149-L191 PolarHBondContact N-O 3.44Å; L191-N236 VanDerWaalsContact CA-OD1 3.28Å; L191-N236 WeakPolarHBondContact CA-OD1 3.32Å; L191-N236 HydrophobicContact CB-CB 4.3Å; L191-N236 HydrophobicContact CD2-CB 3.98Å
192C98.9Very high93Very high0 Ų050.8 Ų50.80%025%0.253CS..EExtended strand (participates in β ladder)trans-129.1120.8179.1-170.90000109.8I149 V181 A182 N236 G237I149-C192 HydrophobicContact CB-CB 4.22Å; I149-C192 WeakPolarHBondContact O-CA 3.41Å; V181-C192 HydrophobicContact CB-CB 4.07Å; V181-C192 HydrophobicContact CG1-CB 3.69Å; A182-C192 HydrophobicContact CB-CB 4.15Å; C192-N236 PolarHBondContact N-OD1 3.32Å; C192-G237 WeakPolarHBondContact O-CA 3.45Å; C192-G237 PolarHBondContact O-N 3.16Å
193N98.9Very high90.8Very high1 Ų155.4 Ų55.41%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-124.9164.1177.8-65.4-58000110.3I149 I150 M151 L228 D235 N236 G237 S238I149-N193 PolarHBondContact O-N 2.95Å; I150-N193 WeakPolarHBondContact CA-O 3.29Å; I150-N193 HydrophobicContact CD1-CB 4.19Å; M151-N193 PolarHBondContact N-O 2.77Å; N193-L228 HydrophobicContact CB-CD1 4.37Å; N193-L228 HydrophobicContact CB-CD2 4.33Å; N193-D235 PolarHBondContact ND2-O 3.27Å; N193-D235 PolarHBondContact OD1-O 3.37Å; N193-N236 VanDerWaalsContact OD1-CA 3.27Å; N193-N236 WeakPolarHBondContact OD1-CA 3.36Å; N193-N236 PolarHBondContact OD1-N 3.48Å; N193-G237 PolarHBondContact OD1-N 3.03Å; N193-S238 WeakPolarHBondContact CA-O 3.48Å; N193-S238 WeakPolarHBondContact OD1-CB 3.5Å; N193-S238 PolarHBondContact OD1-N 3.23Å
194V98.8Very high89.1Confident0 Ų051 Ų510%026%0.255CS..EExtended strand (participates in β ladder)trans-111.4132.2177.8-176.40000109M151 I175 A178 V196 S238 Y239 I240M151-V194 HydrophobicContact CB-CG2 4.28Å; M151-V194 CarbonylContact O-C 3.53Å; M151-V194 VanDerWaalsContact O-CA 3.29Å; M151-V194 WeakPolarHBondContact O-CA 3.31Å; M151-V194 WeakPolarHBondContact O-CG1 3.47Å; I175-V194 HydrophobicContact CG1-CG1 4.02Å; I175-V194 HydrophobicContact CG1-CG2 4.22Å; A178-V194 HydrophobicContact CB-CG2 3.36Å; V194-V196 HydrophobicContact CG1-CG2 4.17Å; V194-S238 PolarHBondContact N-O 3.49Å; V194-Y239 HydrophobicContact CB-CD1 3.95Å; V194-Y239 HydrophobicContact CB-CG 4.39Å; V194-Y239 HydrophobicContact CG2-CD1 3.7Å; V194-Y239 HydrophobicContact CG2-CE1 4.31Å; V194-Y239 WeakPolarHBondContact O-CA 3.43Å; V194-I240 PolarHBondContact O-N 2.88Å
195I98.7Very high87.4Confident0 Ų051.6 Ų51.60%026%0.257CS..EExtended strand (participates in β ladder)trans-100.1135.1163.5-17072000108.9I150 M151 T152 S153 P197 I221 V224 V225 I240I150-I195 HydrophobicContact CG2-CB 4.07Å; I150-I195 HydrophobicContact CG2-CG2 3.55Å; M151-I195 PolarHBondContact O-N 3.27Å; T152-I195 HydrophobicContact CG2-CG2 4.23Å; S153-I195 PolarHBondContact N-O 2.74Å; I195-P197 VanDerWaalsContact C-CD 3.47Å; I195-P197 HydrophobicContact CG1-CB 4.45Å; I195-P197 VanDerWaalsContact O-CD 3.29Å; I195-P197 WeakPolarHBondContact O-CD 3.46Å; I195-I221 HydrophobicContact CD1-CG2 4.22Å; I195-I221 HydrophobicContact CG1-CG2 4.21Å; I195-V224 HydrophobicContact CD1-CG1 4.04Å; I195-V225 HydrophobicContact CB-CG2 4.08Å; I195-V225 HydrophobicContact CD1-CG2 3.98Å; I195-V225 HydrophobicContact CG1-CG2 3.76Å; I195-V225 HydrophobicContact CG2-CG2 4.22Å; I195-I240 CarbonylContact C-O 3.59Å; I195-I240 WeakPolarHBondContact CA-O 3.43Å; I195-I240 HydrophobicContact CD1-CB 4.43Å; I195-I240 HydrophobicContact CD1-CG2 4.48Å
196V98Very high86.1Confident0 Ų055.1 Ų55.10%029%0.294CS..EExtended strand (participates in β ladder)trans-116.179.9175.1-169.30000107.3N155 I158 V194 I240 E241 S242 L250N155-V196 VanDerWaalsContact N-CG1 3.33Å; N155-V196 VanDerWaalsContact OD1-CG1 3.31Å; N155-V196 WeakPolarHBondContact OD1-CG1 3.24Å; I158-V196 HydrophobicContact CD1-CB 4.4Å; I158-V196 HydrophobicContact CD1-CG1 3.75Å; I158-V196 HydrophobicContact CD1-CG2 3.82Å; V194-V196 HydrophobicContact CG1-CG2 4.17Å; V196-I240 PolarHBondContact N-O 3.19Å; V196-E241 HydrophobicContact CB-CB 4.3Å; V196-E241 HydrophobicContact CB-CG 4.46Å; V196-E241 WeakPolarHBondContact O-CA 3.28Å; V196-S242 PolarHBondContact O-N 3.48Å; V196-S242 VanDerWaalsContact O-N 3.08Å; V196-L250 HydrophobicContact CG2-CD1 4.28Å
197P96.7Very high85Confident18 Ų1859 Ų5912%0.11731%0.306CS..EExtended strand (participates in β ladder)trans-81.7143.6-172.832.4-34.6000111.6L24 T152 I195 I221 S242L24-P197 HydrophobicContact CD1-CB 3.73Å; L24-P197 HydrophobicContact CD1-CG 3.72Å; L24-P197 HydrophobicContact CD2-CB 4.41Å; T152-P197 HydrophobicContact CG2-CG 3.84Å; I195-P197 VanDerWaalsContact C-CD 3.47Å; I195-P197 HydrophobicContact CG1-CB 4.45Å; I195-P197 VanDerWaalsContact O-CD 3.29Å; I195-P197 WeakPolarHBondContact O-CD 3.46Å; P197-I221 HydrophobicContact CB-CD1 3.88Å; P197-I221 HydrophobicContact CB-CG2 4.28Å; P197-S242 WeakPolarHBondContact CA-O 3.28Å
198T91.2Very high84.1Confident46 Ų4650 Ų5028%0.28228%0.275SS..  trans-117.9112.6160.5-57.40000109.1N155 L216 S242N155-T198 PolarHBondContact ND2-OG1 2.87Å; T198-L216 HydrophobicContact CG2-CD1 4.31Å; T198-L216 HydrophobicContact CG2-CD2 4.02Å; T198-S242 PolarHBondContact N-O 3.02Å
199A82.1Confident83.5Confident30 Ų3051.9 Ų51.925%0.24829%0.29CS..  trans-130.1146.7177.100000110.4L24 L216 P218 I221L24-A199 HydrophobicContact CD1-CB 4.41Å; L24-A199 HydrophobicContact CD2-CB 4.22Å; L24-A199 HydrophobicContact CG-CB 4.37Å; A199-L216 WeakPolarHBondContact CA-O 3.35Å; A199-P218 HydrophobicContact CB-CG 4.12Å; A199-I221 HydrophobicContact CB-CD1 4.25Å
200A76.8Confident82.8Confident24 Ų2455.2 Ų55.220%0.19831%0.308CS..  trans-62.8138173.600000109.5F213 L216A200-F213 HydrophobicContact CB-CD2 3.73Å; A200-F213 HydrophobicContact CB-CE2 3.71Å; A200-F213 HydrophobicContact CB-CG 4.19Å; A200-F213 HydrophobicContact CB-CZ 4.15Å; A200-L216 HydrophobicContact CB-CB 3.87Å; A200-L216 VanDerWaalsContact N-CB 3.34Å; A200-L216 PolarHBondContact N-O 3.31Å
201S67.9Low82.3Confident57 Ų5761.8 Ų61.840%0.39934%0.342SS..  trans-122.5167.1172.874.10000109.9M203 T204S201-M203 PolarHBondContact O-N 3.46Å; S201-M203 PolarHBondContact OG-N 3.32Å; S201-T204 PolarHBondContact N-OG1 3.3Å; S201-T204 PolarHBondContact O-N 3.48Å; S201-T204 PolarHBondContact O-OG1 3.09Å
202R60.2Low81.6Confident233 Ų23364.7 Ų64.788%0.87936%0.357SS*.THydrogen-bonded Turntrans-54.6-25.1171.8-68.9-178-179.1169.10.7112.9
203M52.8Low81Confident101 Ų10166.7 Ų66.750%0.49837%0.366SS..THydrogen-bonded Turntrans-77.8-23.3180-166.4-179.3-64.900113L106 S201 I207L106-M203 HydrophobicContact CD1-CE 4.36Å; S201-M203 PolarHBondContact O-N 3.46Å; S201-M203 PolarHBondContact OG-N 3.32Å; M203-I207 WeakPolarHBondContact O-CD1 2.96Å
204T62.1Low80.4Confident38 Ų3870.9 Ų70.923%0.23339%0.388CS..THydrogen-bonded Turntrans-93.3-2.9179.351.10000113.3S201 G206 I207 L208S201-T204 PolarHBondContact N-OG1 3.3Å; S201-T204 PolarHBondContact O-N 3.48Å; S201-T204 PolarHBondContact O-OG1 3.09Å; T204-G206 PolarHBondContact O-N 3.43Å; T204-I207 PolarHBondContact O-N 3.31Å; T204-I207 VanDerWaalsContact O-N 3.12Å; T204-L208 HydrophobicContact CG2-CD1 4.38Å; T204-L208 PolarHBondContact O-N 3.31Å
205E64Low80Confident133 Ų13375 Ų7562%0.62141%0.407SS*.THydrogen-bonded Turntrans-66115.9-179.7-163.7167-166.500109.6F213E205-F213 HydrophobicContact CB-CE2 3.84Å; E205-F213 HydrophobicContact CB-CZ 3.95Å; E205-F213 HydrophobicContact CG-CE2 4.24Å; E205-F213 HydrophobicContact CG-CZ 3.91Å
206G69.8Low79.5Confident75 Ų7575.4 Ų75.477%0.77341%0.41SS*.THydrogen-bonded Turntrans87.9-8.3-174.500000116.2T204T204-G206 PolarHBondContact O-N 3.43Å
207I76.2Confident79.2Confident131 Ų13180.2 Ų80.267%0.67243%0.431SS*.THydrogen-bonded Turntrans-90-44.1173.2-59.9178.2000110.6M203 T204M203-I207 WeakPolarHBondContact O-CD1 2.96Å; T204-I207 PolarHBondContact O-N 3.31Å; T204-I207 VanDerWaalsContact O-N 3.12Å
208L77.9Confident79Confident48 Ų4880.9 Ų80.925%0.25144%0.435SS..SBendtrans-86.1145.9178.9-63177000110.4T204 D210 L212 F213 L216T204-L208 HydrophobicContact CG2-CD1 4.38Å; T204-L208 PolarHBondContact O-N 3.31Å; L208-D210 PolarHBondContact O-N 2.86Å; L208-L212 HydrophobicContact CD2-CD2 4.17Å; L208-F213 HydrophobicContact CB-CB 4.34Å; L208-L216 HydrophobicContact CD1-CD1 3.65Å
209P85.7Confident79.1Confident85 Ų8585.6 Ų85.655%0.55245%0.451SS*.  trans-54.2137.9168.4-23.633.5000110.9I211 L212 F213P209-I211 HydrophobicContact CB-CG2 4.33Å; P209-I211 PolarHBondContact O-N 2.93Å; P209-L212 PolarHBondContact O-N 3.44Å; P209-F213 PolarHBondContact O-N 2.99Å
210D85.4Confident79.8Confident124 Ų12487 Ų8766%0.66346%0.455SS*.Hα-helixtrans-52-37.9-174.5-67.1-18000113.3L208 L212 F213 N214L208-D210 PolarHBondContact O-N 2.86Å; D210-L212 VanDerWaalsContact C-N 3.31Å; D210-L212 PolarHBondContact O-N 3.35Å; D210-F213 PolarHBondContact O-N 3.15Å; D210-N214 VanDerWaalsContact O-CB 3.25Å; D210-N214 WeakPolarHBondContact O-CB 3.4Å; D210-N214 PolarHBondContact O-N 2.85Å; D210-N214 PolarHBondContact O-ND2 3.35Å
211I86.6Confident80.7Confident138 Ų13885.9 Ų85.971%0.70845%0.445SS*.Hα-helixtrans-60.3-41.1177.8-165.8168.1000112P209 E215P209-I211 HydrophobicContact CB-CG2 4.33Å; P209-I211 PolarHBondContact O-N 2.93Å; I211-E215 WeakPolarHBondContact O-CG 3.49Å; I211-E215 PolarHBondContact O-N 2.85Å
212L85.7Confident82.2Confident76 Ų7683.3 Ų83.340%0.39843%0.427SS..Hα-helixtrans-75.8-44.5178.2-179.459.8000110.4L208 P209 D210 N214 E215 L216L208-L212 HydrophobicContact CD2-CD2 4.17Å; P209-L212 PolarHBondContact O-N 3.44Å; D210-L212 VanDerWaalsContact C-N 3.31Å; D210-L212 PolarHBondContact O-N 3.35Å; L212-N214 VanDerWaalsContact C-N 3.27Å; L212-N214 PolarHBondContact O-N 2.75Å; L212-E215 PolarHBondContact O-N 3.43Å; L212-E215 VanDerWaalsContact O-N 3.13Å; L212-L216 HydrophobicContact CD1-CD1 4.15Å; L212-L216 HydrophobicContact CD1-CD2 4.3Å; L212-L216 HydrophobicContact CD1-CG 4.05Å; L212-L216 HydrophobicContact CG-CD1 3.95Å; L212-L216 HydrophobicContact CG-CG 4.29Å; L212-L216 VanDerWaalsContact O-CG 3.3Å; L212-L216 WeakPolarHBondContact O-CG 3.19Å; L212-L216 PolarHBondContact O-N 3.18Å
213F84.7Confident84Confident43 Ų4375.6 Ų75.619%0.18941%0.407CS..Hα-helixtrans-55.4-44177.8-176.2-89.8000111.8A200 E205 L208 P209 D210 E215 L216A200-F213 HydrophobicContact CB-CD2 3.73Å; A200-F213 HydrophobicContact CB-CE2 3.71Å; A200-F213 HydrophobicContact CB-CG 4.19Å; A200-F213 HydrophobicContact CB-CZ 4.15Å; E205-F213 HydrophobicContact CB-CE2 3.84Å; E205-F213 HydrophobicContact CB-CZ 3.95Å; E205-F213 HydrophobicContact CG-CE2 4.24Å; E205-F213 HydrophobicContact CG-CZ 3.91Å; L208-F213 HydrophobicContact CB-CB 4.34Å; P209-F213 PolarHBondContact O-N 2.99Å; D210-F213 PolarHBondContact O-N 3.15Å; F213-E215 VanDerWaalsContact C-N 3.31Å; F213-E215 PolarHBondContact O-N 2.72Å; F213-L216 PolarHBondContact O-N 3.21Å
214N86.9Confident86.1Confident88 Ų8872.4 Ų72.447%0.47139%0.394SS..Hα-helixtrans-70.4-22.2-179.4-73.4-34000114.1D210 L212 K217D210-N214 VanDerWaalsContact O-CB 3.25Å; D210-N214 WeakPolarHBondContact O-CB 3.4Å; D210-N214 PolarHBondContact O-N 2.85Å; D210-N214 PolarHBondContact O-ND2 3.35Å; L212-N214 VanDerWaalsContact C-N 3.27Å; L212-N214 PolarHBondContact O-N 2.75Å; N214-K217 WeakPolarHBondContact O-CD 3.38Å; N214-K217 WeakPolarHBondContact O-CE 3.15Å; N214-K217 WeakPolarHBondContact O-CG 3.31Å; N214-K217 PolarHBondContact O-NZ 3.46Å
215E90.6Very high87.9Confident86 Ų8670.6 Ų70.640%0.40238%0.383SS..Hα-helixtrans-94.9-14.2176.9-68.1-51.9125.700113I211 L212 F213 K217 L220 A244I211-E215 WeakPolarHBondContact O-CG 3.49Å; I211-E215 PolarHBondContact O-N 2.85Å; L212-E215 PolarHBondContact O-N 3.43Å; L212-E215 VanDerWaalsContact O-N 3.13Å; F213-E215 VanDerWaalsContact C-N 3.31Å; F213-E215 PolarHBondContact O-N 2.72Å; E215-K217 PolarHBondContact O-N 2.92Å; E215-K217 IonicContact OE1-NZ 3.9Å; E215-L220 VanDerWaalsContact O-CD1 3.29Å; E215-L220 WeakPolarHBondContact O-CD1 3.47Å; E215-A244 HydrophobicContact CB-CB 4.02Å; E215-A244 VanDerWaalsContact O-CA 3.27Å; E215-A244 WeakPolarHBondContact O-CA 3.38Å
216L89.2Confident89.5Confident10 Ų1064.6 Ų64.65%0.05236%0.356CS..  trans-79.950.6174.3-66.6175000112.4T198 A199 A200 L208 L212 F213 A243 A244T198-L216 HydrophobicContact CG2-CD1 4.31Å; T198-L216 HydrophobicContact CG2-CD2 4.02Å; A199-L216 WeakPolarHBondContact CA-O 3.35Å; A200-L216 HydrophobicContact CB-CB 3.87Å; A200-L216 VanDerWaalsContact N-CB 3.34Å; A200-L216 PolarHBondContact N-O 3.31Å; L208-L216 HydrophobicContact CD1-CD1 3.65Å; L212-L216 HydrophobicContact CD1-CD1 4.15Å; L212-L216 HydrophobicContact CD1-CD2 4.3Å; L212-L216 HydrophobicContact CD1-CG 4.05Å; L212-L216 HydrophobicContact CG-CD1 3.95Å; L212-L216 HydrophobicContact CG-CG 4.29Å; L212-L216 VanDerWaalsContact O-CG 3.3Å; L212-L216 WeakPolarHBondContact O-CG 3.19Å; L212-L216 PolarHBondContact O-N 3.18Å; F213-L216 PolarHBondContact O-N 3.21Å; L216-A243 HydrophobicContact CD2-CB 3.94Å; L216-A244 HydrophobicContact CD2-CB 4.31Å
217K91Very high90.9Very high101 Ų10166.2 Ų66.244%0.43934%0.339SS..  trans-83.6130.3-178.9-70.8169.6178.6125.20111.4N214 E215 K219 L220N214-K217 WeakPolarHBondContact O-CD 3.38Å; N214-K217 WeakPolarHBondContact O-CE 3.15Å; N214-K217 WeakPolarHBondContact O-CG 3.31Å; N214-K217 PolarHBondContact O-NZ 3.46Å; E215-K217 PolarHBondContact O-N 2.92Å; E215-K217 IonicContact OE1-NZ 3.9Å; K217-K219 PolarHBondContact O-N 3.21Å; K217-K219 VanDerWaalsContact O-N 3.09Å; K217-L220 HydrophobicContact CB-CD1 4.27Å; K217-L220 HydrophobicContact CB-CG 4.22Å; K217-L220 WeakPolarHBondContact O-CB 3.44Å; K217-L220 PolarHBondContact O-N 3.06Å
218P91.3Very high92Very high31 Ų3160.3 Ų60.320%0.20131%0.309CS..G310 helixtrans-50-35.3172.4-32.838.8000115L24 E27 A199 L220 I221 A222L24-P218 HydrophobicContact CD2-CB 3.75Å; L24-P218 HydrophobicContact CD2-CG 4.34Å; L24-P218 HydrophobicContact CG-CB 4.21Å; L24-P218 HydrophobicContact CG-CG 4.5Å; E27-P218 HydrophobicContact CB-CB 4.4Å; E27-P218 HydrophobicContact CG-CB 3.71Å; A199-P218 HydrophobicContact CB-CG 4.12Å; P218-L220 PolarHBondContact O-N 3.35Å; P218-I221 PolarHBondContact O-N 2.88Å; P218-A222 PolarHBondContact O-N 3.46Å
219K94.7Very high93Very high145 Ų14558 Ų5863%0.6330%0.297SS*.G310 helixtrans-61.9-23.8178.6-171171.3-176.5174.50113.9E27 K217 I221 P223E27-K219 HydrophobicContact CG-CB 4.41Å; K217-K219 PolarHBondContact O-N 3.21Å; K217-K219 VanDerWaalsContact O-N 3.09Å; K219-I221 VanDerWaalsContact C-N 3.33Å; K219-P223 VanDerWaalsContact O-CD 3.23Å; K219-P223 WeakPolarHBondContact O-CD 3.31Å
220L95.6Very high93.6Very high61 Ų6154.6 Ų54.632%0.31927%0.273SS..G310 helixtrans-81.3-14.2177.2-63.4176.6000112.9E215 K217 P218E215-L220 VanDerWaalsContact O-CD1 3.29Å; E215-L220 WeakPolarHBondContact O-CD1 3.47Å; K217-L220 HydrophobicContact CB-CD1 4.27Å; K217-L220 HydrophobicContact CB-CG 4.22Å; K217-L220 WeakPolarHBondContact O-CB 3.44Å; K217-L220 PolarHBondContact O-N 3.06Å; P218-L220 PolarHBondContact O-N 3.35Å
221I97.1Very high94.2Very high0 Ų052.6 Ų52.60%026%0.26CS..THydrogen-bonded Turntrans-96.4-33.5177.3-64161.3000111L24 Y28 I195 P197 A199 P218 K219 P223 V224 V225L24-I221 HydrophobicContact CD2-CB 4.12Å; L24-I221 HydrophobicContact CD2-CD1 3.74Å; L24-I221 HydrophobicContact CD2-CG2 4.29Å; Y28-I221 HydrophobicContact CE1-CG2 4.26Å; I195-I221 HydrophobicContact CD1-CG2 4.22Å; I195-I221 HydrophobicContact CG1-CG2 4.21Å; P197-I221 HydrophobicContact CB-CD1 3.88Å; P197-I221 HydrophobicContact CB-CG2 4.28Å; A199-I221 HydrophobicContact CB-CD1 4.25Å; P218-I221 PolarHBondContact O-N 2.88Å; K219-I221 VanDerWaalsContact C-N 3.33Å; I221-P223 VanDerWaalsContact C-CD 3.46Å; I221-P223 VanDerWaalsContact C-N 3.33Å; I221-V224 WeakPolarHBondContact O-CB 3.5Å; I221-V224 PolarHBondContact O-N 3.31Å; I221-V225 HydrophobicContact CG2-CG2 4.43Å; I221-V225 PolarHBondContact O-N 3.24Å
222A98Very high94.7Very high3 Ų349 Ų493%0.02525%0.247CC..Hα-helixtrans-50.5-41.4-176.300000115.1E27 Y28 L31 P218 V224 V225 A226E27-A222 HydrophobicContact CB-CB 4.03Å; Y28-A222 HydrophobicContact CD1-CB 3.67Å; Y28-A222 HydrophobicContact CE1-CB 4.06Å; L31-A222 HydrophobicContact CB-CB 4.48Å; L31-A222 VanDerWaalsContact CD2-C 3.47Å; L31-A222 HydrophobicContact CD2-CB 3.86Å; P218-A222 PolarHBondContact O-N 3.46Å; A222-V224 VanDerWaalsContact C-N 3.28Å; A222-V224 PolarHBondContact O-N 3.24Å; A222-V225 PolarHBondContact O-N 2.79Å; A222-A226 WeakPolarHBondContact O-CB 3.28Å; A222-A226 PolarHBondContact O-N 2.75Å
223P98.1Very high95.3Very high70 Ų7045.4 Ų45.446%0.45523%0.229SC..Hα-helixtrans-60.4-33.2175.9-26.436.6000114.5L31 K219 I221 Y227L31-P223 HydrophobicContact CD2-CB 4.46Å; L31-P223 HydrophobicContact CD2-CG 4.19Å; K219-P223 VanDerWaalsContact O-CD 3.23Å; K219-P223 WeakPolarHBondContact O-CD 3.31Å; I221-P223 VanDerWaalsContact C-CD 3.46Å; I221-P223 VanDerWaalsContact C-N 3.33Å; P223-Y227 WeakPolarHBondContact O-CB 3.24Å; P223-Y227 PolarHBondContact O-N 3.42Å
224V98.5Very high95.9Very high35 Ų3551.8 Ų51.821%0.21226%0.259CS..Hα-helixtrans-66.8-48.8177.6-179.40000110.1I195 I221 A222 A226 Y227 L228 I240 A247I195-V224 HydrophobicContact CD1-CG1 4.04Å; I221-V224 WeakPolarHBondContact O-CB 3.5Å; I221-V224 PolarHBondContact O-N 3.31Å; A222-V224 VanDerWaalsContact C-N 3.28Å; A222-V224 PolarHBondContact O-N 3.24Å; V224-A226 VanDerWaalsContact C-N 3.33Å; V224-A226 PolarHBondContact O-N 3.19Å; V224-Y227 PolarHBondContact O-N 3.39Å; V224-L228 HydrophobicContact CG1-CD1 4.38Å; V224-L228 WeakPolarHBondContact O-CG 3.37Å; V224-L228 PolarHBondContact O-N 2.92Å; V224-I240 HydrophobicContact CG1-CG2 3.73Å; V224-A247 HydrophobicContact CG2-CB 4.17Å
225V98.7Very high96.4Very high0 Ų050.5 Ų50.50%025%0.252CS..Hα-helixtrans-61.8-42.6176.91720000111.3Y28 V100 I150 I195 I221 A222 L228 C229Y28-V225 HydrophobicContact CD1-CB 4.11Å; Y28-V225 HydrophobicContact CD1-CG1 4.22Å; Y28-V225 HydrophobicContact CD1-CG2 4.34Å; Y28-V225 HydrophobicContact CD2-CG1 4.32Å; Y28-V225 HydrophobicContact CE1-CB 3.96Å; Y28-V225 HydrophobicContact CE1-CG1 4.37Å; Y28-V225 HydrophobicContact CE1-CG2 3.7Å; Y28-V225 HydrophobicContact CE2-CG1 4.44Å; Y28-V225 HydrophobicContact CE2-CG2 4.28Å; Y28-V225 HydrophobicContact CG-CG1 4.2Å; V100-V225 HydrophobicContact CG1-CG1 4.26Å; V100-V225 HydrophobicContact CG2-CG1 4.1Å; I150-V225 HydrophobicContact CG1-CG1 4.21Å; I150-V225 HydrophobicContact CG2-CG1 4.45Å; I195-V225 HydrophobicContact CB-CG2 4.08Å; I195-V225 HydrophobicContact CD1-CG2 3.98Å; I195-V225 HydrophobicContact CG1-CG2 3.76Å; I195-V225 HydrophobicContact CG2-CG2 4.22Å; I221-V225 HydrophobicContact CG2-CG2 4.43Å; I221-V225 PolarHBondContact O-N 3.24Å; A222-V225 PolarHBondContact O-N 2.79Å; V225-L228 PolarHBondContact O-N 3.46Å; V225-C229 PolarHBondContact O-N 3.22Å; V225-C229 PolarHBondContact O-SG 3.43Å
226A98.6Very high96.8Very high7 Ų748.9 Ų48.96%0.05825%0.246CC..Hα-helixtrans-60.4-48.9175.700000110.7Y10 L31 F32 A222 V224 L228 C229 H230Y10-A226 PolarHBondContact OH-O 2.55Å; L31-A226 HydrophobicContact CD2-CB 3.74Å; L31-A226 HydrophobicContact CG-CB 4.32Å; F32-A226 HydrophobicContact CE1-CB 4.03Å; F32-A226 HydrophobicContact CZ-CB 4.35Å; A222-A226 WeakPolarHBondContact O-CB 3.28Å; A222-A226 PolarHBondContact O-N 2.75Å; V224-A226 VanDerWaalsContact C-N 3.33Å; V224-A226 PolarHBondContact O-N 3.19Å; A226-L228 PolarHBondContact O-N 3.21Å; A226-C229 CarbonylContact O-C 3.52Å; A226-C229 WeakPolarHBondContact O-CA 3.07Å; A226-C229 WeakPolarHBondContact O-CB 3.21Å; A226-C229 PolarHBondContact O-N 3.16Å; A226-H230 PolarHBondContact O-N 3.45Å; A226-H230 VanDerWaalsContact O-N 3.11Å
227Y98.6Very high97.2Very high109 Ų10949.5 Ų49.543%0.42726%0.255SS..Hα-helixtrans-60.1-44179.4-176.8-117.4000112.6L8 P223 V224 C229 H230 C233L8-Y227 HydrophobicContact CD1-CD2 3.6Å; L8-Y227 HydrophobicContact CD1-CE2 3.97Å; P223-Y227 WeakPolarHBondContact O-CB 3.24Å; P223-Y227 PolarHBondContact O-N 3.42Å; V224-Y227 PolarHBondContact O-N 3.39Å; Y227-C229 PolarHBondContact O-N 2.89Å; Y227-H230 HydrophobicContact CD2-CB 4.48Å; Y227-H230 WeakPolarHBondContact O-CB 3.08Å; Y227-H230 PolarHBondContact O-N 3.44Å; Y227-C233 HydrophobicContact CE1-CB 4.32Å; Y227-C233 HydrophobicContact CE2-CB 4.44Å; Y227-C233 WeakPolarHBondContact O-CB 3.35Å
228L98.7Very high97.5Very high7 Ų744.8 Ų44.84%0.03724%0.235CC..Hα-helixtrans-57.9-20.8172.9-70.5172.5000113.3I150 N193 V224 V225 A226 D235 I240I150-L228 HydrophobicContact CD1-CB 3.69Å; I150-L228 HydrophobicContact CD1-CD1 4.09Å; N193-L228 HydrophobicContact CB-CD1 4.37Å; N193-L228 HydrophobicContact CB-CD2 4.33Å; V224-L228 HydrophobicContact CG1-CD1 4.38Å; V224-L228 WeakPolarHBondContact O-CG 3.37Å; V224-L228 PolarHBondContact O-N 2.92Å; V225-L228 PolarHBondContact O-N 3.46Å; A226-L228 PolarHBondContact O-N 3.21Å; L228-D235 HydrophobicContact CD2-CB 4.21Å; L228-I240 HydrophobicContact CD1-CB 4.38Å; L228-I240 HydrophobicContact CD1-CG1 4.04Å; L228-I240 HydrophobicContact CD2-CG1 4.17Å
229C98.8Very high97.8Very high0 Ų044.5 Ų44.50%023%0.23CC..THydrogen-bonded Turntrans-99.60.2176.2-60.90000114.4Y10 F32 I98 Y146 R148 I150 V225 A226 Y227Y10-C229 HydrophobicContact CE1-CB 4.43Å; F32-C229 HydrophobicContact CE1-CB 3.85Å; F32-C229 HydrophobicContact CZ-CB 3.76Å; I98-C229 HydrophobicContact CD1-CB 3.94Å; I98-C229 HydrophobicContact CG1-CB 4.04Å; I98-C229 HydrophobicContact CG2-CB 3.87Å; Y146-C229 PolarHBondContact OH-O 3.11Å; R148-C229 HydrophobicContact CB-CB 3.95Å; R148-C229 HydrophobicContact CG-CB 4.44Å; R148-C229 WeakPolarHBondContact CG-O 3.45Å; I150-C229 WeakPolarHBondContact CG1-SG 3.32Å; V225-C229 PolarHBondContact O-N 3.22Å; V225-C229 PolarHBondContact O-SG 3.43Å; A226-C229 CarbonylContact O-C 3.52Å; A226-C229 WeakPolarHBondContact O-CA 3.07Å; A226-C229 WeakPolarHBondContact O-CB 3.21Å; A226-C229 PolarHBondContact O-N 3.16Å; Y227-C229 PolarHBondContact O-N 2.89Å
230H98.5Very high98Very high12 Ų1238.5 Ų38.56%0.05620%0.204CC..SBendtrans-80.9151.6178.9-167.8-100.9000110.8R9 Y10 R148 A226 Y227 S232 C233R9-H230 PolarHBondContact O-CD2 3.32Å; R9-H230 PolarHBondContact O-NE2 3.35Å; Y10-H230 HydrophobicContact CE1-CB 4.03Å; Y10-H230 AromaticContact CE1-CD2 3.99Å; Y10-H230 AromaticContact CZ-CD2 3.97Å; R148-H230 PolarHBondContact NE-O 2.82Å; A226-H230 PolarHBondContact O-N 3.45Å; A226-H230 VanDerWaalsContact O-N 3.11Å; Y227-H230 HydrophobicContact CD2-CB 4.48Å; Y227-H230 WeakPolarHBondContact O-CB 3.08Å; Y227-H230 PolarHBondContact O-N 3.44Å; H230-S232 WeakPolarHBondContact ND1-CB 3.49Å; H230-S232 PolarHBondContact ND1-N 3.05Å; H230-S232 VanDerWaalsContact ND1-N 3.19Å; H230-S232 PolarHBondContact ND1-OG 3.46Å; H230-S232 PolarHBondContact O-N 2.88Å; H230-C233 PolarHBondContact O-N 3.06Å; H230-C233 VanDerWaalsContact O-N 3.14Å
231E97.2Very high98.1Very high83 Ų8336.9 Ų36.939%0.38820%0.195SC..THydrogen-bonded Turntrans-65.4-25.2-178.264.3-175.6-176.600113.3M1 R13 Y146M1-E231 PolarHBondContact N-OE1 3.39Å; R13-E231 IonicContact NH2-OE2 2.88Å; R13-E231 PolarHBondContact NH2-OE2 2.85Å; Y146-E231 HydrophobicContact CE2-CB 3.81Å; Y146-E231 PolarHBondContact OH-N 3.49Å
232S97.4Very high98.1Very high61 Ų6137 Ų3743%0.42720%0.196SC..THydrogen-bonded Turntrans-83.1-8176.874.40000114.3H230H230-S232 WeakPolarHBondContact ND1-CB 3.49Å; H230-S232 PolarHBondContact ND1-N 3.05Å; H230-S232 VanDerWaalsContact ND1-N 3.19Å; H230-S232 PolarHBondContact ND1-OG 3.46Å; H230-S232 PolarHBondContact O-N 2.88Å
233C98.2Very high98Very high2 Ų237.5 Ų37.51%0.01420%0.2CC..  trans-87.3120.9174.9-177.30000108.8Y227 H230Y227-C233 HydrophobicContact CE1-CB 4.32Å; Y227-C233 HydrophobicContact CE2-CB 4.44Å; Y227-C233 WeakPolarHBondContact O-CB 3.35Å; H230-C233 PolarHBondContact O-N 3.06Å; H230-C233 VanDerWaalsContact O-N 3.14Å
234E97.4Very high97.7Very high177 Ų17736.1 Ų36.183%0.82720%0.195SC*.  trans-98.6-3.5-178.2-60.5-174.7160.800112.8N236E234-N236 PolarHBondContact O-N 3.2Å
235D98.2Very high97.5Very high60 Ų6037.2 Ų37.232%0.32121%0.213SC..  trans-57.7132.8176.6-85.3-74.3000111.1N193 L228 S238 K249N193-D235 PolarHBondContact ND2-O 3.27Å; N193-D235 PolarHBondContact OD1-O 3.37Å; L228-D235 HydrophobicContact CD2-CB 4.21Å; D235-S238 PolarHBondContact OD1-OG 2.94Å; D235-K249 IonicContact OD1-NZ 3.75Å
236N98.3Very high97.4Very high52 Ų5243.6 Ų43.628%0.27824%0.237SC..  trans-145.3133.2175.8-170.132.7000109.4A182 L191 C192 N193 E234 S238A182-N236 WeakPolarHBondContact CA-OD1 3.2Å; A182-N236 VanDerWaalsContact CB-OD1 3.26Å; A182-N236 WeakPolarHBondContact CB-OD1 3.31Å; A182-N236 PolarHBondContact O-ND2 2.85Å; L191-N236 VanDerWaalsContact CA-OD1 3.28Å; L191-N236 WeakPolarHBondContact CA-OD1 3.32Å; L191-N236 HydrophobicContact CB-CB 4.3Å; L191-N236 HydrophobicContact CD2-CB 3.98Å; C192-N236 PolarHBondContact N-OD1 3.32Å; N193-N236 VanDerWaalsContact OD1-CA 3.27Å; N193-N236 WeakPolarHBondContact OD1-CA 3.36Å; N193-N236 PolarHBondContact OD1-N 3.48Å; E234-N236 PolarHBondContact O-N 3.2Å; N236-S238 PolarHBondContact O-N 3.39Å
237G97.4Very high97.3Very high24 Ų2445.5 Ų45.525%0.24725%0.253CS..SBendtrans68.813.4-172.800000114C192 N193 Y239C192-G237 WeakPolarHBondContact O-CA 3.45Å; C192-G237 PolarHBondContact O-N 3.16Å; N193-G237 PolarHBondContact OD1-N 3.03Å; G237-Y239 VanDerWaalsContact O-CE1 3.27Å; G237-Y239 WeakPolarHBondContact O-CE1 3.24Å
238S97.9Very high97.3Very high1 Ų142.9 Ų42.91%0.00725%0.248CC..  trans-81.9140.1178.8-73.90000110.8N193 V194 D235 N236 K249N193-S238 WeakPolarHBondContact CA-O 3.48Å; N193-S238 WeakPolarHBondContact OD1-CB 3.5Å; N193-S238 PolarHBondContact OD1-N 3.23Å; V194-S238 PolarHBondContact N-O 3.49Å; D235-S238 PolarHBondContact OD1-OG 2.94Å; N236-S238 PolarHBondContact O-N 3.39Å; S238-K249 VanDerWaalsContact OG-CE 3.32Å; S238-K249 WeakPolarHBondContact OG-CE 3.31Å; S238-K249 PolarHBondContact OG-NZ 3.13Å
239Y97.5Very high97.3Very high26 Ų2647.6 Ų47.610%0.10227%0.269CS..EExtended strand (participates in β ladder)trans-107.7118.2170.3-31.4-36000108.2I175 N179 V194 G237 K249 L250I175-Y239 HydrophobicContact CG2-CD1 4.31Å; I175-Y239 HydrophobicContact CG2-CD2 4.28Å; I175-Y239 HydrophobicContact CG2-CE1 3.78Å; I175-Y239 HydrophobicContact CG2-CE2 3.73Å; I175-Y239 VanDerWaalsContact CG2-CZ 3.46Å; N179-Y239 VanDerWaalsContact CG-OH 3.26Å; N179-Y239 PolarHBondContact ND2-OH 2.96Å; N179-Y239 WeakPolarHBondContact OD1-CE1 3.46Å; N179-Y239 PolarHBondContact OD1-OH 3.27Å; V194-Y239 HydrophobicContact CB-CD1 3.95Å; V194-Y239 HydrophobicContact CB-CG 4.39Å; V194-Y239 HydrophobicContact CG2-CD1 3.7Å; V194-Y239 HydrophobicContact CG2-CE1 4.31Å; V194-Y239 WeakPolarHBondContact O-CA 3.43Å; G237-Y239 VanDerWaalsContact O-CE1 3.27Å; G237-Y239 WeakPolarHBondContact O-CE1 3.24Å; Y239-K249 CarbonylContact O-C 3.5Å; Y239-K249 WeakPolarHBondContact O-CA 3.49Å; Y239-L250 HydrophobicContact CD2-CB 4.46Å; Y239-L250 PolarHBondContact O-N 3.3Å
240I98.6Very high97.2Very high18 Ų1849 Ų499%0.09228%0.276CS..EExtended strand (participates in β ladder)trans-112.2115.9-176.2-54.1-56.6000108.7V194 I195 V196 V224 L228 A247 T248 K249V194-I240 PolarHBondContact O-N 2.88Å; I195-I240 CarbonylContact C-O 3.59Å; I195-I240 WeakPolarHBondContact CA-O 3.43Å; I195-I240 HydrophobicContact CD1-CB 4.43Å; I195-I240 HydrophobicContact CD1-CG2 4.48Å; V196-I240 PolarHBondContact N-O 3.19Å; V224-I240 HydrophobicContact CG1-CG2 3.73Å; L228-I240 HydrophobicContact CD1-CB 4.38Å; L228-I240 HydrophobicContact CD1-CG1 4.04Å; L228-I240 HydrophobicContact CD2-CG1 4.17Å; I240-A247 HydrophobicContact CG2-CB 4.07Å; I240-T248 CarbonylContact C-O 3.52Å; I240-T248 WeakPolarHBondContact CA-O 3.33Å; I240-K249 HydrophobicContact CD1-CB 3.99Å; I240-K249 HydrophobicContact CD1-CG 4.21Å
241E98.1Very high96.9Very high28 Ų2853.3 Ų53.313%0.13130%0.296CS..EExtended strand (participates in β ladder)trans-77.7140165.2-170.7-177.6-179.300109.5N155 V196 W246 A247 T248 L250N155-E241 PolarHBondContact ND2-OE1 2.99Å; N155-E241 PolarHBondContact OD1-OE1 3.12Å; V196-E241 HydrophobicContact CB-CB 4.3Å; V196-E241 HydrophobicContact CB-CG 4.46Å; V196-E241 WeakPolarHBondContact O-CA 3.28Å; E241-W246 HydrophobicContact CB-CZ3 4.28Å; E241-W246 HydrophobicContact CG-CZ3 3.93Å; E241-A247 CarbonylContact O-C 3.6Å; E241-A247 WeakPolarHBondContact O-CA 3.47Å; E241-A247 WeakPolarHBondContact O-CB 2.84Å; E241-T248 HydrophobicContact CB-CG2 4.09Å; E241-T248 PolarHBondContact N-O 2.85Å; E241-T248 PolarHBondContact O-N 3.29Å; E241-L250 HydrophobicContact CB-CD1 4.15Å; E241-L250 HydrophobicContact CB-CG 4.29Å
242S97.7Very high96.7Very high1 Ų154.6 Ų54.61%0.00730%0.303CS..EExtended strand (participates in β ladder)trans-150.3135.2174.3-172.80000113.1V196 P197 T198 W246V196-S242 PolarHBondContact O-N 3.48Å; V196-S242 VanDerWaalsContact O-N 3.08Å; P197-S242 WeakPolarHBondContact CA-O 3.28Å; T198-S242 PolarHBondContact N-O 3.02Å; S242-W246 VanDerWaalsContact CA-O 3.24Å; S242-W246 WeakPolarHBondContact CA-O 3.4Å; S242-W246 PolarHBondContact OG-O 3.39Å
243A94.4Very high96.6Very high15 Ų1555 Ų5512%0.12430%0.303CS..EExtended strand (participates in β ladder)trans-161.4145.3-179.900000109.4L216 G245 W246L216-A243 HydrophobicContact CD2-CB 3.94Å; A243-G245 PolarHBondContact O-N 3.48Å; A243-W246 PolarHBondContact N-O 3.07Å; A243-W246 WeakPolarHBondContact O-CA 3.27Å; A243-W246 WeakPolarHBondContact O-CB 3.2Å; A243-W246 PolarHBondContact O-N 3.42Å
244A92.7Very high96.3Very high41 Ų4160 Ų6034%0.33932%0.322SS..THydrogen-bonded Turntrans49.636.5170.200000116E215 L216 W246E215-A244 HydrophobicContact CB-CB 4.02Å; E215-A244 VanDerWaalsContact O-CA 3.27Å; E215-A244 WeakPolarHBondContact O-CA 3.38Å; L216-A244 HydrophobicContact CD2-CB 4.31Å; A244-W246 PolarHBondContact O-N 2.99Å
245G93.6Very high96Very high58 Ų5852.4 Ų52.460%0.59829%0.291SS*.THydrogen-bonded Turntrans76.83.5-178.800000114.9A243A243-G245 PolarHBondContact O-N 3.48Å
246W96.8Very high95.4Very high134 Ų13455.6 Ų55.651%0.50830%0.302SS..EExtended strand (participates in β ladder)trans-101.5150.3172.1173.787.3000110.7E241 S242 A243 A244 T248E241-W246 HydrophobicContact CB-CZ3 4.28Å; E241-W246 HydrophobicContact CG-CZ3 3.93Å; S242-W246 VanDerWaalsContact CA-O 3.24Å; S242-W246 WeakPolarHBondContact CA-O 3.4Å; S242-W246 PolarHBondContact OG-O 3.39Å; A243-W246 PolarHBondContact N-O 3.07Å; A243-W246 WeakPolarHBondContact O-CA 3.27Å; A243-W246 WeakPolarHBondContact O-CB 3.2Å; A243-W246 PolarHBondContact O-N 3.42Å; A244-W246 PolarHBondContact O-N 2.99Å; W246-T248 HydrophobicContact CH2-CG2 3.17Å; W246-T248 VanDerWaalsContact CZ2-CB 3.46Å; W246-T248 HydrophobicContact CZ2-CG2 3.46Å; W246-T248 VanDerWaalsContact CZ2-CG2 3.46Å; W246-T248 HydrophobicContact CZ3-CG2 4Å
247A98.1Very high94.8Very high46 Ų4654.5 Ų54.538%0.3830%0.303SS..EExtended strand (participates in β ladder)trans-147.8147.8170.700000111.4V224 I240 E241V224-A247 HydrophobicContact CG2-CB 4.17Å; I240-A247 HydrophobicContact CG2-CB 4.07Å; E241-A247 CarbonylContact O-C 3.6Å; E241-A247 WeakPolarHBondContact O-CA 3.47Å; E241-A247 WeakPolarHBondContact O-CB 2.84Å
248T98.2Very high94.3Very high54 Ų5455.2 Ų55.233%0.33131%0.306SS..EExtended strand (participates in β ladder)trans-142.5157.7173.1-166.30000111.3I240 E241 W246 L250I240-T248 CarbonylContact C-O 3.52Å; I240-T248 WeakPolarHBondContact CA-O 3.33Å; E241-T248 HydrophobicContact CB-CG2 4.09Å; E241-T248 PolarHBondContact N-O 2.85Å; E241-T248 PolarHBondContact O-N 3.29Å; W246-T248 HydrophobicContact CH2-CG2 3.17Å; W246-T248 VanDerWaalsContact CZ2-CB 3.46Å; W246-T248 HydrophobicContact CZ2-CG2 3.46Å; W246-T248 VanDerWaalsContact CZ2-CG2 3.46Å; W246-T248 HydrophobicContact CZ3-CG2 4Å; T248-L250 HydrophobicContact CG2-CD2 4.23Å
249K97.5Very high93.8Very high107 Ų10757.7 Ų57.747%0.46532%0.321SS..EExtended strand (participates in β ladder)trans-86.7131.8171.3-176.3167.9178.5163.20109.9D235 S238 Y239 I240D235-K249 IonicContact OD1-NZ 3.75Å; S238-K249 VanDerWaalsContact OG-CE 3.32Å; S238-K249 WeakPolarHBondContact OG-CE 3.31Å; S238-K249 PolarHBondContact OG-NZ 3.13Å; Y239-K249 CarbonylContact O-C 3.5Å; Y239-K249 WeakPolarHBondContact O-CA 3.49Å; I240-K249 HydrophobicContact CD1-CB 3.99Å; I240-K249 HydrophobicContact CD1-CG 4.21Å
250L96.6Very high93.4Very high29 Ų2959 Ų5915%0.15233%0.33CS..EExtended strand (participates in β ladder)trans-101.1146.6168.4-55.6176.5000109.4I158 V196 Y239 E241 T248I158-L250 HydrophobicContact CD1-CD1 3.47Å; I158-L250 VanDerWaalsContact CD1-CD1 3.47Å; V196-L250 HydrophobicContact CG2-CD1 4.28Å; Y239-L250 HydrophobicContact CD2-CB 4.46Å; Y239-L250 PolarHBondContact O-N 3.3Å; E241-L250 HydrophobicContact CB-CD1 4.15Å; E241-L250 HydrophobicContact CB-CG 4.29Å; T248-L250 HydrophobicContact CG2-CD2 4.23Å
251H93.4Very high92.6Very high103 Ų10361.2 Ų61.248%0.47734%0.337SS..  trans-147.716117458.5-167.2000111.4H288H251-H288 AromaticContact CG-ND1 3.95Å; H251-H288 AromaticContact ND1-CG 3.63Å
252M93.1Very high91.5Very high109 Ų10962.3 Ų62.354%0.53735%0.347SS..  trans-86.1135.5170.8-65.8178.7179.700109.4M172 I175 H288M172-M252 HydrophobicContact CE-CE 4.49Å; I175-M252 HydrophobicContact CG2-CE 4.36Å; M252-H288 PolarHBondContact O-ND1 3.41Å
253V94.9Very high90.7Very high71 Ų7163.7 Ų63.743%0.4336%0.356SS..EExtended strand (participates in β ladder)trans-117.7149.3176-65.20000110.5M283 A286 K287 H288V253-M283 HydrophobicContact CG2-CE 3.69Å; V253-A286 HydrophobicContact CB-CB 4.23Å; V253-A286 HydrophobicContact CG2-CB 4.25Å; V253-K287 CarbonylContact C-O 3.56Å; V253-K287 WeakPolarHBondContact CA-O 3.5Å; V253-H288 HydrophobicContact CG1-CB 4.37Å
254R91.7Very high90.1Very high106 Ų10665.5 Ų65.540%0.436%0.364SS..EExtended strand (participates in β ladder)trans-118130178.4-172.3-176.8178.4177.7-2109.1A286 K287 L289 A295R254-A286 CarbonylContact O-C 3.5Å; R254-A286 VanDerWaalsContact O-CA 3.25Å; R254-A286 WeakPolarHBondContact O-CA 3.44Å; R254-K287 PolarHBondContact N-O 2.94Å; R254-K287 PolarHBondContact O-N 3.29Å; R254-L289 HydrophobicContact CB-CD1 4.32Å; R254-A295 PolarHBondContact NH1-O 3.1Å
255G90.4Very high89.8Confident17 Ų1771.1 Ų71.118%0.17539%0.388CS..  trans-68.5167.5171.300000112.4G257G255-G257 PolarHBondContact O-N 3Å
256K85.6Confident89.4Confident128 Ų12871.2 Ų71.256%0.55738%0.375SS*.  trans-59.8-36.5175-176.8179.3177.7179.80111.3
257G87.6Confident89.2Confident29 Ų2969.3 Ų69.330%0.29938%0.379SS..  trans70.9-170.4-174.900000112.7G255G255-G257 PolarHBondContact O-N 3Å
258A86.2Confident88.9Confident38 Ų3871 Ų7131%0.31439%0.385SS..  trans-147.9153.8179.300000111.5V276 N279 V280A258-V276 HydrophobicContact CB-CB 4.5Å; A258-V276 HydrophobicContact CB-CG2 4.43Å; A258-N279 HydrophobicContact CB-CB 3.75Å; A258-V280 HydrophobicContact CB-CG2 3.99Å
259V88Confident88.6Confident53 Ų5371.1 Ų71.132%0.32139%0.386SS..  trans-72.5137.2165.3-1720000108.7R261 V302 L306V259-R261 HydrophobicContact CG1-CG 4.2Å; V259-R261 WeakPolarHBondContact CG1-O 3.33Å; V259-V302 HydrophobicContact CG2-CG1 3.95Å; V259-L306 HydrophobicContact CG1-CD1 3.78Å; V259-L306 HydrophobicContact CG1-CD2 3.77Å; V259-L306 HydrophobicContact CG1-CG 4.34Å
260L88.2Confident88.6Confident55 Ų5572.7 Ų72.729%0.28840%0.397SS..SBendtrans-101.417.5-175.1-54.3179.8000113.5V268 Y272 V273 V276 V280L260-V268 HydrophobicContact CB-CG1 3.84Å; L260-V268 HydrophobicContact CB-CG2 4.29Å; L260-Y272 WeakPolarHBondContact O-CD1 3.4Å; L260-V273 HydrophobicContact CB-CG2 4.2Å; L260-V273 HydrophobicContact CD1-CG2 4.17Å; L260-V273 HydrophobicContact CD2-CG2 4.36Å; L260-V273 HydrophobicContact CG-CG2 4.47Å; L260-V276 HydrophobicContact CD2-CG2 3.57Å; L260-V280 HydrophobicContact CD2-CG2 3.64Å
261R82.3Confident88.4Confident63 Ų6377.4 Ų77.424%0.23842%0.419CS..SBendtrans-161.2155.3179.755.6-179.6-179.3164.74.7111.2V259 S263 L264 D266 V268 Y272 L306V259-R261 HydrophobicContact CG1-CG 4.2Å; V259-R261 WeakPolarHBondContact CG1-O 3.33Å; R261-S263 WeakPolarHBondContact CD-O 3.44Å; R261-S263 WeakPolarHBondContact CG-O 3.31Å; R261-S263 PolarHBondContact NE-O 2.85Å; R261-L264 VanDerWaalsContact CZ-O 3.29Å; R261-L264 PolarHBondContact NH1-O 3.16Å; R261-L264 PolarHBondContact NH2-O 3.19Å; R261-D266 HydrophobicContact CB-CB 4.35Å; R261-D266 WeakPolarHBondContact CD-O 3.2Å; R261-D266 PolarHBondContact NH1-O 2.98Å; R261-V268 HydrophobicContact CB-CG2 4.28Å; R261-V268 HydrophobicContact CG-CG2 4.28Å; R261-Y272 VanDerWaalsContact N-CE1 3.28Å; R261-L306 HydrophobicContact CG-CD2 4.05Å
262P75.5Confident88.1Confident52 Ų5275.9 Ų75.934%0.33841%0.409SS..SBendtrans-68.5-40.9-179.5-15.727.4000114.2D266 Y272P262-D266 WeakPolarHBondContact CB-OD2 3.13Å; P262-D266 HydrophobicContact CG-CB 4.44Å; P262-Y272 HydrophobicContact CG-CD2 4.39Å; P262-Y272 HydrophobicContact CG-CE2 3.81Å
263S79.3Confident88Confident30 Ų3072.3 Ų72.321%0.2139%0.394CS..SBendtrans-138.7175.2-17976.20000111.8R261 D265 D266R261-S263 WeakPolarHBondContact CD-O 3.44Å; R261-S263 WeakPolarHBondContact CG-O 3.31Å; R261-S263 PolarHBondContact NE-O 2.85Å; S263-D265 PolarHBondContact O-N 3.45Å; S263-D265 PolarHBondContact OG-N 3.13Å; S263-D266 VanDerWaalsContact CB-OD2 3.31Å; S263-D266 WeakPolarHBondContact CB-OD2 3.12Å; S263-D266 PolarHBondContact N-OD2 3.16Å; S263-D266 VanDerWaalsContact OG-CG 3.32Å; S263-D266 PolarHBondContact OG-N 2.87Å; S263-D266 PolarHBondContact OG-OD2 3.26Å
264L83.5Confident87.9Confident53 Ų5376.3 Ų76.328%0.27741%0.405SS..SBendtrans-66.2-25.7172.6-79.1-171.3000114R261 L303 L306 K307R261-L264 VanDerWaalsContact CZ-O 3.29Å; R261-L264 PolarHBondContact NH1-O 3.16Å; R261-L264 PolarHBondContact NH2-O 3.19Å; L264-L303 HydrophobicContact CD2-CD2 4.2Å; L264-L306 HydrophobicContact CD2-CB 4.22Å; L264-L306 HydrophobicContact CD2-CD2 3.62Å; L264-L306 HydrophobicContact CD2-CG 3.85Å; L264-L306 HydrophobicContact CG-CB 4.42Å; L264-L306 HydrophobicContact CG-CD2 4.3Å; L264-L306 HydrophobicContact CG-CG 4.01Å; L264-K307 HydrophobicContact CD1-CB 4.28Å; L264-K307 HydrophobicContact CD1-CD 4.27Å; L264-K307 HydrophobicContact CD1-CG 3.24Å; L264-K307 HydrophobicContact CG-CG 4.21Å
265D86.5Confident87.6Confident158 Ų15876.4 Ų76.485%0.84541%0.414SS*.SBendtrans-87.4-19.4-176.2-62-40.2000111.9S263S263-D265 PolarHBondContact O-N 3.45Å; S263-D265 PolarHBondContact OG-N 3.13Å
266D84.7Confident87.3Confident61 Ų6176 Ų7633%0.32641%0.408SS..SBendtrans-75.1143.7175.6-65.9-61.8000111.9R261 P262 S263R261-D266 HydrophobicContact CB-CB 4.35Å; R261-D266 WeakPolarHBondContact CD-O 3.2Å; R261-D266 PolarHBondContact NH1-O 2.98Å; P262-D266 WeakPolarHBondContact CB-OD2 3.13Å; P262-D266 HydrophobicContact CG-CB 4.44Å; S263-D266 VanDerWaalsContact CB-OD2 3.31Å; S263-D266 WeakPolarHBondContact CB-OD2 3.12Å; S263-D266 PolarHBondContact N-OD2 3.16Å; S263-D266 VanDerWaalsContact OG-CG 3.32Å; S263-D266 PolarHBondContact OG-N 2.87Å; S263-D266 PolarHBondContact OG-OD2 3.26Å
267P91.6Very high87.6Confident93 Ų9376.3 Ų76.360%0.60441%0.406SS*.  trans-71.4156.2169.531.6-34.6000111.1T269P267-T269 HydrophobicContact CG-CG2 4.33Å; P267-T269 PolarHBondContact O-N 2.87Å
268V92Very high87.7Confident82 Ų8278.8 Ų78.850%0.49742%0.418SS..  trans-81.7113.7165.6178.60000108L260 R261 V273L260-V268 HydrophobicContact CB-CG1 3.84Å; L260-V268 HydrophobicContact CB-CG2 4.29Å; R261-V268 HydrophobicContact CB-CG2 4.28Å; R261-V268 HydrophobicContact CG-CG2 4.28Å; V268-V273 HydrophobicContact CG1-CG2 3.65Å
269T92.8Very high87.7Confident57 Ų5780.3 Ų80.335%0.3542%0.421SS..  trans-99.8154.3175.969.10000111.3P267 E271 Y272 V273P267-T269 HydrophobicContact CG-CG2 4.33Å; P267-T269 PolarHBondContact O-N 2.87Å; T269-E271 PolarHBondContact O-N 3.18Å; T269-Y272 PolarHBondContact O-N 2.92Å; T269-Y272 WeakPolarHBondContact OG1-CB 3.36Å; T269-Y272 PolarHBondContact OG1-N 3.47Å; T269-Y272 VanDerWaalsContact OG1-N 3.12Å; T269-V273 WeakPolarHBondContact O-CG2 3.3Å; T269-V273 PolarHBondContact O-N 3.29Å
270I96.7Very high87.8Confident139 Ų13979.9 Ų79.971%0.71342%0.419SS*.Hα-helixtrans-63.5-36.6177.1-63.9175.2000110.1V273 K274I270-V273 PolarHBondContact O-N 3.05Å; I270-K274 WeakPolarHBondContact O-CB 3.42Å; I270-K274 PolarHBondContact O-N 3.35Å
271E93.2Very high88.1Confident128 Ų12880.9 Ų80.960%0.59843%0.427SS*.Hα-helixtrans-60.6-48.1176.8-66.567.9-148.600110.8T269 V273 K274 D275T269-E271 PolarHBondContact O-N 3.18Å; E271-V273 PolarHBondContact O-N 3.21Å; E271-K274 WeakPolarHBondContact O-CB 3.29Å; E271-K274 PolarHBondContact O-N 3.03Å; E271-D275 PolarHBondContact O-N 2.89Å
272Y86Confident88.4Confident71 Ų7180.9 Ų80.928%0.27843%0.432SS..Hα-helixtrans-63.7-43.4178-164.3-76.4000111.2L260 R261 P262 T269 K274 D275 V276L260-Y272 WeakPolarHBondContact O-CD1 3.4Å; R261-Y272 VanDerWaalsContact N-CE1 3.28Å; P262-Y272 HydrophobicContact CG-CD2 4.39Å; P262-Y272 HydrophobicContact CG-CE2 3.81Å; T269-Y272 PolarHBondContact O-N 2.92Å; T269-Y272 WeakPolarHBondContact OG1-CB 3.36Å; T269-Y272 PolarHBondContact OG1-N 3.47Å; T269-Y272 VanDerWaalsContact OG1-N 3.12Å; Y272-K274 VanDerWaalsContact C-N 3.32Å; Y272-K274 PolarHBondContact O-N 3.23Å; Y272-D275 PolarHBondContact O-N 3.44Å; Y272-D275 VanDerWaalsContact O-N 3.16Å; Y272-V276 HydrophobicContact CD1-CG1 3.97Å; Y272-V276 HydrophobicContact CD1-CG2 4.12Å; Y272-V276 HydrophobicContact CE1-CB 4.48Å; Y272-V276 HydrophobicContact CE1-CG1 3.53Å; Y272-V276 HydrophobicContact CE1-CG2 4.14Å; Y272-V276 WeakPolarHBondContact O-CG2 3.25Å; Y272-V276 PolarHBondContact O-N 3.25Å
273V90.8Very high89.3Confident35 Ų3583 Ų8321%0.21244%0.438CS..Hα-helixtrans-57.5-45.9176172.70000111.1L260 V268 T269 I270 E271 D275 V276 W277L260-V273 HydrophobicContact CB-CG2 4.2Å; L260-V273 HydrophobicContact CD1-CG2 4.17Å; L260-V273 HydrophobicContact CD2-CG2 4.36Å; L260-V273 HydrophobicContact CG-CG2 4.47Å; V268-V273 HydrophobicContact CG1-CG2 3.65Å; T269-V273 WeakPolarHBondContact O-CG2 3.3Å; T269-V273 PolarHBondContact O-N 3.29Å; I270-V273 PolarHBondContact O-N 3.05Å; E271-V273 PolarHBondContact O-N 3.21Å; V273-D275 VanDerWaalsContact C-N 3.33Å; V273-D275 PolarHBondContact O-N 2.94Å; V273-V276 PolarHBondContact O-N 3.22Å; V273-W277 HydrophobicContact CG1-CE3 3.88Å; V273-W277 HydrophobicContact CG1-CZ3 4.2Å; V273-W277 WeakPolarHBondContact O-CA 3.32Å; V273-W277 WeakPolarHBondContact O-CB 3.28Å; V273-W277 PolarHBondContact O-N 2.88Å
274K92.9Very high89.8Confident154 Ų15486.1 Ų86.167%0.6746%0.46SS*.Hα-helixtrans-59.3-44.5176171.6178161.6-760111.3I270 E271 Y272 V276 W277I270-K274 WeakPolarHBondContact O-CB 3.42Å; I270-K274 PolarHBondContact O-N 3.35Å; E271-K274 WeakPolarHBondContact O-CB 3.29Å; E271-K274 PolarHBondContact O-N 3.03Å; Y272-K274 VanDerWaalsContact C-N 3.32Å; Y272-K274 PolarHBondContact O-N 3.23Å; K274-V276 VanDerWaalsContact C-N 3.29Å; K274-V276 PolarHBondContact O-N 2.93Å; K274-W277 WeakPolarHBondContact O-CB 3.4Å; K274-W277 PolarHBondContact O-N 2.88Å
275D85.4Confident89.9Confident108 Ų10888.3 Ų88.358%0.57847%0.467SS*.Hα-helixtrans-68.5-26.5-176.8-69.1-13.3000113.3E271 Y272 V273E271-D275 PolarHBondContact O-N 2.89Å; Y272-D275 PolarHBondContact O-N 3.44Å; Y272-D275 VanDerWaalsContact O-N 3.16Å; V273-D275 VanDerWaalsContact C-N 3.33Å; V273-D275 PolarHBondContact O-N 2.94Å
276V84.4Confident90.2Very high8 Ų882.4 Ų82.45%0.04844%0.44CS..Hα-helixtrans-104.83.2176.8-53.60000113.9A258 L260 Y272 V273 K274 S278 N279 V280A258-V276 HydrophobicContact CB-CB 4.5Å; A258-V276 HydrophobicContact CB-CG2 4.43Å; L260-V276 HydrophobicContact CD2-CG2 3.57Å; Y272-V276 HydrophobicContact CD1-CG1 3.97Å; Y272-V276 HydrophobicContact CD1-CG2 4.12Å; Y272-V276 HydrophobicContact CE1-CB 4.48Å; Y272-V276 HydrophobicContact CE1-CG1 3.53Å; Y272-V276 HydrophobicContact CE1-CG2 4.14Å; Y272-V276 WeakPolarHBondContact O-CG2 3.25Å; Y272-V276 PolarHBondContact O-N 3.25Å; V273-V276 PolarHBondContact O-N 3.22Å; K274-V276 VanDerWaalsContact C-N 3.29Å; K274-V276 PolarHBondContact O-N 2.93Å; V276-S278 VanDerWaalsContact C-N 3.29Å; V276-S278 PolarHBondContact O-N 2.96Å; V276-N279 WeakPolarHBondContact O-CB 3.4Å; V276-N279 PolarHBondContact O-N 2.87Å; V276-V280 HydrophobicContact CG2-CG2 4.33Å; V276-V280 PolarHBondContact O-N 3.41Å
277W92.4Very high90.5Very high136 Ų13686.8 Ų86.852%0.51546%0.456SS..Hα-helixtrans-58.9-37.3-170-170.4-113.9000113.5V273 K274 N279 V280 T281V273-W277 HydrophobicContact CG1-CE3 3.88Å; V273-W277 HydrophobicContact CG1-CZ3 4.2Å; V273-W277 WeakPolarHBondContact O-CA 3.32Å; V273-W277 WeakPolarHBondContact O-CB 3.28Å; V273-W277 PolarHBondContact O-N 2.88Å; K274-W277 WeakPolarHBondContact O-CB 3.4Å; K274-W277 PolarHBondContact O-N 2.88Å; W277-N279 PolarHBondContact O-N 3.04Å; W277-V280 HydrophobicContact CE3-CB 3.99Å; W277-V280 HydrophobicContact CE3-CG1 4.08Å; W277-V280 HydrophobicContact CE3-CG2 4.17Å; W277-V280 HydrophobicContact CH2-CG1 4.34Å; W277-V280 HydrophobicContact CZ3-CB 4.26Å; W277-V280 HydrophobicContact CZ3-CG1 3.82Å; W277-V280 WeakPolarHBondContact O-CB 3.47Å; W277-V280 PolarHBondContact O-N 2.87Å; W277-T281 HydrophobicContact CD2-CG2 4.25Å; W277-T281 HydrophobicContact CZ2-CG2 3.84Å; W277-T281 PolarHBondContact O-N 2.91Å; W277-T281 PolarHBondContact O-OG1 2.9Å
278S89.9Confident90.6Very high81 Ų8186.8 Ų86.857%0.56645%0.448SS*.Hα-helixtrans-59.6-31.1176.356.40000112.9V276 D282V276-S278 VanDerWaalsContact C-N 3.29Å; V276-S278 PolarHBondContact O-N 2.96Å; S278-D282 WeakPolarHBondContact O-CB 3.17Å; S278-D282 PolarHBondContact O-N 3.37Å; S278-D282 VanDerWaalsContact O-N 3.17Å
279N85.8Confident90.4Very high70 Ų7085.3 Ų85.337%0.37444%0.437SS..Hα-helixtrans-78.8-31.2175.7-59.5-16.4000111.7A258 V276 W277 T281A258-N279 HydrophobicContact CB-CB 3.75Å; V276-N279 WeakPolarHBondContact O-CB 3.4Å; V276-N279 PolarHBondContact O-N 2.87Å; W277-N279 PolarHBondContact O-N 3.04Å; N279-T281 VanDerWaalsContact C-N 3.31Å
280V89.3Confident90.2Very high44 Ų4485.3 Ų85.327%0.26745%0.449SS..Hα-helixtrans-64.9-39.6175.5178.70000110.6A258 L260 V276 W277A258-V280 HydrophobicContact CB-CG2 3.99Å; L260-V280 HydrophobicContact CD2-CG2 3.64Å; V276-V280 HydrophobicContact CG2-CG2 4.33Å; V276-V280 PolarHBondContact O-N 3.41Å; W277-V280 HydrophobicContact CE3-CB 3.99Å; W277-V280 HydrophobicContact CE3-CG1 4.08Å; W277-V280 HydrophobicContact CE3-CG2 4.17Å; W277-V280 HydrophobicContact CH2-CG1 4.34Å; W277-V280 HydrophobicContact CZ3-CB 4.26Å; W277-V280 HydrophobicContact CZ3-CG1 3.82Å; W277-V280 WeakPolarHBondContact O-CB 3.47Å; W277-V280 PolarHBondContact O-N 2.87Å
281T94.6Very high89.9Confident75 Ų7581.1 Ų81.146%0.4644%0.435SS..SBendtrans-95.72.9-17759.60000114W277 N279 M283W277-T281 HydrophobicContact CD2-CG2 4.25Å; W277-T281 HydrophobicContact CZ2-CG2 3.84Å; W277-T281 PolarHBondContact O-N 2.91Å; W277-T281 PolarHBondContact O-OG1 2.9Å; N279-T281 VanDerWaalsContact C-N 3.31Å; T281-M283 PolarHBondContact O-N 3.32Å
282D88.8Confident89.8Confident64 Ų6481.9 Ų81.934%0.34244%0.442SS..  trans-69.5116.6176.6-177.19.3000111.3S278 S284S278-D282 WeakPolarHBondContact O-CB 3.17Å; S278-D282 PolarHBondContact O-N 3.37Å; S278-D282 VanDerWaalsContact O-N 3.17Å; D282-S284 VanDerWaalsContact CG-OG 3.26Å; D282-S284 WeakPolarHBondContact OD1-CB 3.36Å; D282-S284 PolarHBondContact OD1-N 3.25Å; D282-S284 PolarHBondContact OD1-OG 3.49Å; D282-S284 PolarHBondContact OD2-OG 3.15Å; D282-S284 VanDerWaalsContact OD2-OG 3.07Å
283M95.1Very high90.1Very high96 Ų9681.9 Ų81.947%0.47346%0.456SS..  trans-104.73178.8-62.3-59.9-72.500113.2V253 T281 K285 A286V253-M283 HydrophobicContact CG2-CE 3.69Å; T281-M283 PolarHBondContact O-N 3.32Å; M283-K285 PolarHBondContact O-N 2.88Å; M283-A286 HydrophobicContact CB-CB 4.26Å; M283-A286 HydrophobicContact CE-CB 3.55Å; M283-A286 VanDerWaalsContact O-CB 3.23Å; M283-A286 WeakPolarHBondContact O-CB 3.36Å; M283-A286 PolarHBondContact O-N 2.92Å; M283-A286 HydrophobicContact SD-CB 4.22Å
284S89.7Confident90Very high95 Ų9584.5 Ų84.566%0.66447%0.466SS*.THydrogen-bonded Turntrans-60.8-29.3-177.965.50000113.5D282D282-S284 VanDerWaalsContact CG-OG 3.26Å; D282-S284 WeakPolarHBondContact OD1-CB 3.36Å; D282-S284 PolarHBondContact OD1-N 3.25Å; D282-S284 PolarHBondContact OD1-OG 3.49Å; D282-S284 PolarHBondContact OD2-OG 3.15Å; D282-S284 VanDerWaalsContact OD2-OG 3.07Å
285K84.9Confident89.8Confident100 Ų10078.6 Ų78.644%0.43545%0.446SS..THydrogen-bonded Turntrans-11123.9175.1-58.7-171.9-178.6-1710112.6M283 D316M283-K285 PolarHBondContact O-N 2.88Å; K285-D316 IonicContact NZ-OD1 3.26Å; K285-D316 PolarHBondContact NZ-OD1 2.82Å; K285-D316 IonicContact NZ-OD2 3.79Å
286A92.9Very high90.1Very high33 Ų3376.5 Ų76.527%0.27344%0.44SS..  trans-65143-177.500000112.4V253 R254 M283V253-A286 HydrophobicContact CB-CB 4.23Å; V253-A286 HydrophobicContact CG2-CB 4.25Å; R254-A286 CarbonylContact O-C 3.5Å; R254-A286 VanDerWaalsContact O-CA 3.25Å; R254-A286 WeakPolarHBondContact O-CA 3.44Å; M283-A286 HydrophobicContact CB-CB 4.26Å; M283-A286 HydrophobicContact CE-CB 3.55Å; M283-A286 VanDerWaalsContact O-CB 3.23Å; M283-A286 WeakPolarHBondContact O-CB 3.36Å; M283-A286 PolarHBondContact O-N 2.92Å; M283-A286 HydrophobicContact SD-CB 4.22Å
287K91.4Very high90.3Very high153 Ų15377.5 Ų77.567%0.66545%0.451SS*.EExtended strand (participates in β ladder)trans-131.3148.4-178.6-61.5-177.4-178.3-176.10110.9V253 R254V253-K287 CarbonylContact C-O 3.56Å; V253-K287 WeakPolarHBondContact CA-O 3.5Å; R254-K287 PolarHBondContact N-O 2.94Å; R254-K287 PolarHBondContact O-N 3.29Å
288H92.7Very high89.9Confident94 Ų9473.2 Ų73.244%0.43544%0.441SS..EExtended strand (participates in β ladder)trans-75.9139.5168.5176.254.3000109.8H251 M252 V253H251-H288 AromaticContact CG-ND1 3.95Å; H251-H288 AromaticContact ND1-CG 3.63Å; M252-H288 PolarHBondContact O-ND1 3.41Å; V253-H288 HydrophobicContact CG1-CB 4.37Å
289L89.5Confident89.7Confident50 Ų5074 Ų7426%0.26244%0.438SS..  trans-111.4131171.6-58.2-177.1000109.3R254 E294 A295R254-L289 HydrophobicContact CB-CD1 4.32Å; L289-E294 VanDerWaalsContact CA-OE2 3.31Å; L289-E294 WeakPolarHBondContact CA-OE2 3.27Å; L289-E294 HydrophobicContact CB-CB 4.47Å; L289-E294 HydrophobicContact CD2-CB 4.28Å; L289-A295 HydrophobicContact CD1-CB 3.76Å
290G87.7Confident89.7Confident58 Ų5875.7 Ų75.760%0.59845%0.446SS*.SBendtrans-82.4-23.3-175.900000113.9E294G290-E294 PolarHBondContact N-OE1 3.04Å; G290-E294 PolarHBondContact N-OE2 3.42Å
291A90.2Very high89.4Confident50 Ų5078.9 Ų78.941%0.41346%0.458SS..SBendtrans-149.1158.8-176.900000113.3A293 E294A291-A293 PolarHBondContact O-N 3.46Å; A291-E294 PolarHBondContact O-N 3.24Å
292I92.1Very high88.9Confident145 Ų14577.8 Ų77.874%0.74445%0.451SS*.Hα-helixtrans-59.4-31.5174.2-168.8168.6000112.7E294 A295 S296I292-E294 VanDerWaalsContact C-N 3.34Å; I292-E294 PolarHBondContact O-N 2.7Å; I292-A295 WeakPolarHBondContact O-CB 3.38Å; I292-A295 PolarHBondContact O-N 2.92Å; I292-S296 PolarHBondContact O-N 2.91Å; I292-S296 PolarHBondContact O-OG 3.29Å
293A91.4Very high88.6Confident71 Ų7177.9 Ų77.959%0.58745%0.452SS*.Hα-helixtrans-63.1-38.517900000112.4A291 A295 S296 G297A291-A293 PolarHBondContact O-N 3.46Å; A293-A295 VanDerWaalsContact C-N 3.33Å; A293-S296 PolarHBondContact O-N 2.92Å; A293-G297 PolarHBondContact O-N 3.42Å
294E89Confident87.7Confident90 Ų9078.9 Ų78.942%0.42146%0.455SS..Hα-helixtrans-63.1-42.6174.6-64.8168.2-149.200110.5L289 G290 A291 I292 S296 G297 T298L289-E294 VanDerWaalsContact CA-OE2 3.31Å; L289-E294 WeakPolarHBondContact CA-OE2 3.27Å; L289-E294 HydrophobicContact CB-CB 4.47Å; L289-E294 HydrophobicContact CD2-CB 4.28Å; G290-E294 PolarHBondContact N-OE1 3.04Å; G290-E294 PolarHBondContact N-OE2 3.42Å; A291-E294 PolarHBondContact O-N 3.24Å; I292-E294 VanDerWaalsContact C-N 3.34Å; I292-E294 PolarHBondContact O-N 2.7Å; E294-S296 VanDerWaalsContact C-N 3.32Å; E294-S296 PolarHBondContact O-N 3.22Å; E294-G297 PolarHBondContact O-N 3.07Å; E294-T298 PolarHBondContact O-N 2.72Å; E294-T298 VanDerWaalsContact O-N 3.08Å; E294-T298 PolarHBondContact O-OG1 3.17Å; E294-T298 VanDerWaalsContact O-OG1 3.13Å
295A89.5Confident86.8Confident30 Ų3078.6 Ų78.625%0.24844%0.442CS..Hα-helixtrans-63.1-38.5178.500000112.7R254 L289 I292 A293R254-A295 PolarHBondContact NH1-O 3.1Å; L289-A295 HydrophobicContact CD1-CB 3.76Å; I292-A295 WeakPolarHBondContact O-CB 3.38Å; I292-A295 PolarHBondContact O-N 2.92Å; A293-A295 VanDerWaalsContact C-N 3.33Å
296S90.7Very high86.3Confident64 Ų6474.5 Ų74.545%0.44843%0.425SS..Hα-helixtrans-69-41173.5-63.50000112.3I292 A293 E294 T298 L299 L300I292-S296 PolarHBondContact O-N 2.91Å; I292-S296 PolarHBondContact O-OG 3.29Å; A293-S296 PolarHBondContact O-N 2.92Å; E294-S296 VanDerWaalsContact C-N 3.32Å; E294-S296 PolarHBondContact O-N 3.22Å; S296-T298 PolarHBondContact O-N 2.82Å; S296-L299 PolarHBondContact O-N 3.04Å; S296-L299 VanDerWaalsContact O-N 3.16Å; S296-L300 PolarHBondContact O-N 2.83Å; S296-L300 VanDerWaalsContact O-N 3.14Å
297G87.9Confident85.3Confident28 Ų2880 Ų8029%0.28944%0.443SS..Hα-helixtrans-57-49.3176.900000112.2A293 E294 L299 L300 E301A293-G297 PolarHBondContact O-N 3.42Å; E294-G297 PolarHBondContact O-N 3.07Å; G297-L299 PolarHBondContact O-N 3.36Å; G297-L300 WeakPolarHBondContact O-CB 3.33Å; G297-L300 PolarHBondContact O-N 2.82Å; G297-E301 PolarHBondContact O-N 2.88Å; G297-E301 VanDerWaalsContact O-N 3.1Å
298T84.5Confident84.1Confident47 Ų4780.6 Ų80.629%0.28845%0.448SS..Hα-helixtrans-58.2-34.6176.8-50.20000112.8E294 S296 V302E294-T298 PolarHBondContact O-N 2.72Å; E294-T298 VanDerWaalsContact O-N 3.08Å; E294-T298 PolarHBondContact O-OG1 3.17Å; E294-T298 VanDerWaalsContact O-OG1 3.13Å; S296-T298 PolarHBondContact O-N 2.82Å; T298-V302 VanDerWaalsContact O-CG2 3.32Å; T298-V302 WeakPolarHBondContact O-CG2 3.23Å; T298-V302 PolarHBondContact O-N 3.28Å; T298-V302 VanDerWaalsContact O-N 3.15Å
299L86.2Confident82.2Confident97 Ų9778.7 Ų78.751%0.50845%0.453SS..Hα-helixtrans-72-36.4178.5-177.761.5000112S296 G297 V302 L303S296-L299 PolarHBondContact O-N 3.04Å; S296-L299 VanDerWaalsContact O-N 3.16Å; G297-L299 PolarHBondContact O-N 3.36Å; L299-V302 PolarHBondContact O-N 3.02Å; L299-L303 WeakPolarHBondContact O-CG 3.25Å; L299-L303 PolarHBondContact O-N 3.25Å
300L86.3Confident80.3Confident106 Ų10678 Ų7856%0.55546%0.459SS*.Hα-helixtrans-63.2-44.7174.9-70.7170.4000110.9S296 G297 V302 L303 E304S296-L300 PolarHBondContact O-N 2.83Å; S296-L300 VanDerWaalsContact O-N 3.14Å; G297-L300 WeakPolarHBondContact O-CB 3.33Å; G297-L300 PolarHBondContact O-N 2.82Å; L300-V302 VanDerWaalsContact C-N 3.31Å; L300-V302 PolarHBondContact O-N 3.36Å; L300-L303 WeakPolarHBondContact O-CB 3.14Å; L300-L303 PolarHBondContact O-N 3.17Å; L300-L303 VanDerWaalsContact O-N 3.08Å; L300-E304 WeakPolarHBondContact O-CG 3.37Å; L300-E304 PolarHBondContact O-N 3.02Å
301E81.9Confident78.6Confident110 Ų11076.7 Ų76.751%0.51445%0.445SS..Hα-helixtrans-57.7-43.2174.8-68.5170-170.500111.9G297 L303 E304 K305G297-E301 PolarHBondContact O-N 2.88Å; G297-E301 VanDerWaalsContact O-N 3.1Å; E301-L303 VanDerWaalsContact C-N 3.32Å; E301-L303 PolarHBondContact O-N 3.23Å; E301-E304 PolarHBondContact O-N 3.35Å; E301-K305 WeakPolarHBondContact O-CG 3.44Å; E301-K305 PolarHBondContact O-N 3.08Å
302V83.6Confident77Confident52 Ų5279.4 Ų79.432%0.31545%0.452SS..Hα-helixtrans-61.9-40.3175.9169.80000111.6V259 T298 L299 L300 L306V259-V302 HydrophobicContact CG2-CG1 3.95Å; T298-V302 VanDerWaalsContact O-CG2 3.32Å; T298-V302 WeakPolarHBondContact O-CG2 3.23Å; T298-V302 PolarHBondContact O-N 3.28Å; T298-V302 VanDerWaalsContact O-N 3.15Å; L299-V302 PolarHBondContact O-N 3.02Å; L300-V302 VanDerWaalsContact C-N 3.31Å; L300-V302 PolarHBondContact O-N 3.36Å; V302-L306 WeakPolarHBondContact O-CB 3.16Å; V302-L306 PolarHBondContact O-N 3.03Å
303L83Confident75.6Confident67 Ų6775.2 Ų75.235%0.35144%0.439SS..Hα-helixtrans-68.7-38.6177.7-73.9172.5000112.4L264 L299 L300 E301 L306 K307L264-L303 HydrophobicContact CD2-CD2 4.2Å; L299-L303 WeakPolarHBondContact O-CG 3.25Å; L299-L303 PolarHBondContact O-N 3.25Å; L300-L303 WeakPolarHBondContact O-CB 3.14Å; L300-L303 PolarHBondContact O-N 3.17Å; L300-L303 VanDerWaalsContact O-N 3.08Å; E301-L303 VanDerWaalsContact C-N 3.32Å; E301-L303 PolarHBondContact O-N 3.23Å; L303-L306 PolarHBondContact O-N 3.09Å; L303-K307 WeakPolarHBondContact O-CG 3.3Å; L303-K307 PolarHBondContact O-N 2.98Å
304E77.5Confident74.7Confident116 Ų11673.2 Ų73.254%0.54242%0.418SS..Hα-helixtrans-63-47.6174.8-73.5176.8170.400110.9L300 E301 L306 K307 E308L300-E304 WeakPolarHBondContact O-CG 3.37Å; L300-E304 PolarHBondContact O-N 3.02Å; E301-E304 PolarHBondContact O-N 3.35Å; E304-L306 VanDerWaalsContact C-N 3.25Å; E304-L306 PolarHBondContact O-N 3.13Å; E304-K307 WeakPolarHBondContact O-CB 3.34Å; E304-K307 PolarHBondContact O-N 3.4Å; E304-E308 PolarHBondContact O-N 2.73Å
305K69.8Low74.3Confident89 Ų8971.5 Ų71.539%0.38741%0.41SS..Hα-helixtrans-58.9-36.7174.6-72-177.7179.5-167.30112.9E301 E308 E315E301-K305 WeakPolarHBondContact O-CG 3.44Å; E301-K305 PolarHBondContact O-N 3.08Å; K305-E308 PolarHBondContact O-N 2.99Å; K305-E315 IonicContact NZ-OE1 3.96Å; K305-E315 PolarHBondContact NZ-OE1 2.8Å; K305-E315 IonicContact NZ-OE2 3.15Å; K305-E315 PolarHBondContact NZ-OE2 3.5Å
306L74.2Confident74.1Confident15 Ų1572.6 Ų72.68%0.07941%0.412CS..Hα-helixtrans-72.4-29.7177.3-168.656000112.9V259 R261 L264 V302 L303 E304V259-L306 HydrophobicContact CG1-CD1 3.78Å; V259-L306 HydrophobicContact CG1-CD2 3.77Å; V259-L306 HydrophobicContact CG1-CG 4.34Å; R261-L306 HydrophobicContact CG-CD2 4.05Å; L264-L306 HydrophobicContact CD2-CB 4.22Å; L264-L306 HydrophobicContact CD2-CD2 3.62Å; L264-L306 HydrophobicContact CD2-CG 3.85Å; L264-L306 HydrophobicContact CG-CB 4.42Å; L264-L306 HydrophobicContact CG-CD2 4.3Å; L264-L306 HydrophobicContact CG-CG 4.01Å; V302-L306 WeakPolarHBondContact O-CB 3.16Å; V302-L306 PolarHBondContact O-N 3.03Å; L303-L306 PolarHBondContact O-N 3.09Å; E304-L306 VanDerWaalsContact C-N 3.25Å; E304-L306 PolarHBondContact O-N 3.13Å
307K72.2Confident74Confident149 Ų14971.6 Ų71.665%0.64841%0.407SS*.Hα-helixtrans-66.1-36.3172.9-77.6174.7178.9177.80112.4L264 L303 E304 G309L264-K307 HydrophobicContact CD1-CB 4.28Å; L264-K307 HydrophobicContact CD1-CD 4.27Å; L264-K307 HydrophobicContact CD1-CG 3.24Å; L264-K307 HydrophobicContact CG-CG 4.21Å; L303-K307 WeakPolarHBondContact O-CG 3.3Å; L303-K307 PolarHBondContact O-N 2.98Å; E304-K307 WeakPolarHBondContact O-CB 3.34Å; E304-K307 PolarHBondContact O-N 3.4Å; K307-G309 PolarHBondContact O-N 3.28Å; K307-G309 VanDerWaalsContact O-N 3.13Å
308E66.4Low74.2Confident165 Ų16571.6 Ų71.677%0.77140%0.4SS*.THydrogen-bonded Turntrans-70.7-2-177.7-68.3179.7173.100113.8E304 K305E304-E308 PolarHBondContact O-N 2.73Å; K305-E308 PolarHBondContact O-N 2.99Å
309G53.5Low74.7Confident53 Ų5376.5 Ų76.555%0.54642%0.419SS..THydrogen-bonded Turntrans82.233.6173.300000114.2K307 G311K307-G309 PolarHBondContact O-N 3.28Å; K307-G309 VanDerWaalsContact O-N 3.13Å; G309-G311 PolarHBondContact O-N 3.2Å
310G48.9Very low75.2Confident37 Ų3772.2 Ų72.238%0.38140%0.396SS..THydrogen-bonded Turntrans-66.629-174.700000117.9D312G310-D312 PolarHBondContact O-N 2.88Å
311G51Low75.7Confident30 Ų3070.4 Ų70.431%0.30939%0.388SS..THydrogen-bonded Turntrans-60-26.8179.600000114.4G309 K376G309-G311 PolarHBondContact O-N 3.2Å; G311-K376 PolarHBondContact O-NZ 2.83Å
312D56.6Low76.4Confident107 Ų10766.9 Ų66.957%0.57238%0.375SS*.SBendtrans-123.8-6.6-177.8-64.8-32.1000114.4G310 K376G310-D312 PolarHBondContact O-N 2.88Å; D312-K376 IonicContact OD1-NZ 3.87Å; D312-K376 PolarHBondContact OD1-NZ 2.77Å
313A63.2Low77.1Confident56 Ų5671 Ų7146%0.46339%0.388SS..  trans-82.8123.8176.200000109.7G411A313-G411 CarbonylContact C-O 3.47Å; A313-G411 VanDerWaalsContact CA-O 3.3Å; A313-G411 WeakPolarHBondContact CA-O 3.29Å
314I72.5Confident77.8Confident29 Ų2970.4 Ų70.415%0.14938%0.384CS..EExtended strand (participates in β ladder)trans-102.8144.2172.452.9172.2000108.9L366 T370 L373 N410 G411I314-L366 HydrophobicContact CB-CD1 4.05Å; I314-L366 HydrophobicContact CD1-CD1 3.74Å; I314-L366 HydrophobicContact CD1-CD2 4.35Å; I314-L366 HydrophobicContact CD1-CG 3.59Å; I314-L366 HydrophobicContact CG1-CD1 3.79Å; I314-L366 HydrophobicContact CG1-CD2 4.07Å; I314-L366 HydrophobicContact CG1-CG 3.79Å; I314-T370 HydrophobicContact CB-CG2 4.28Å; I314-T370 HydrophobicContact CD1-CG2 3.6Å; I314-T370 WeakPolarHBondContact CD1-OG1 3.32Å; I314-T370 HydrophobicContact CG2-CG2 4.06Å; I314-L373 HydrophobicContact CD1-CB 4.22Å; I314-L373 HydrophobicContact CD1-CD1 3.49Å; I314-L373 VanDerWaalsContact CD1-CD1 3.49Å; I314-L373 HydrophobicContact CD1-CG 4.38Å; I314-L373 HydrophobicContact CG1-CD1 3.67Å; I314-N410 CarbonylContact O-C 3.55Å; I314-N410 WeakPolarHBondContact O-CA 3.48Å; I314-G411 WeakPolarHBondContact CG1-O 3.38Å; I314-G411 PolarHBondContact N-O 3.25Å; I314-G411 PolarHBondContact O-N 3.46Å
315E80.4Confident78.8Confident54 Ų5465.2 Ų65.225%0.25236%0.36SS..EExtended strand (participates in β ladder)trans-133130.8-178.7-176.6-169.479.600109.8K305 L408 T409 N410K305-E315 IonicContact NZ-OE1 3.96Å; K305-E315 PolarHBondContact NZ-OE1 2.8Å; K305-E315 IonicContact NZ-OE2 3.15Å; K305-E315 PolarHBondContact NZ-OE2 3.5Å; E315-L408 VanDerWaalsContact CD-CD1 3.43Å; E315-L408 HydrophobicContact CG-CD1 3.47Å; E315-L408 VanDerWaalsContact CG-CD1 3.47Å; E315-L408 HydrophobicContact CG-CD2 4.43Å; E315-L408 HydrophobicContact CG-CG 3.8Å; E315-L408 WeakPolarHBondContact OE2-CD2 3.38Å; E315-T409 VanDerWaalsContact CA-O 3.26Å; E315-T409 WeakPolarHBondContact CA-O 3.19Å; E315-N410 WeakPolarHBondContact CB-OD1 3.38Å; E315-N410 VanDerWaalsContact CG-OD1 3.26Å; E315-N410 WeakPolarHBondContact CG-OD1 3.41Å; E315-N410 PolarHBondContact OE2-OD1 2.8Å
316D85.6Confident80.2Confident54 Ų5462.3 Ų62.329%0.28935%0.348SS..EExtended strand (participates in β ladder)trans-139.7155.1167.4-156.516.3000111.8K285 L366 T409K285-D316 IonicContact NZ-OD1 3.26Å; K285-D316 PolarHBondContact NZ-OD1 2.82Å; K285-D316 IonicContact NZ-OD2 3.79Å; D316-L366 HydrophobicContact CB-CD1 3.81Å; D316-T409 PolarHBondContact N-O 3.09Å; D316-T409 VanDerWaalsContact N-O 3.12Å; D316-T409 PolarHBondContact O-N 2.95Å
317A88.7Confident81.3Confident42 Ų4263.1 Ų63.135%0.34735%0.354SS..EExtended strand (participates in β ladder)trans-91.4132.8175.300000109.7T406 L407A317-T406 HydrophobicContact CB-CG2 3.87Å; A317-L407 CarbonylContact C-O 3.59Å; A317-L407 WeakPolarHBondContact CA-O 3.18Å
318F92.2Very high82.5Confident29 Ų2956.1 Ų56.113%0.12732%0.323CS..EExtended strand (participates in β ladder)trans-116.6108.4175.5-179.4-92.8000109.2F320 F358 L361 P362 L365 L407F318-F320 HydrophobicContact CD1-CB 4.4Å; F318-F320 HydrophobicContact CD1-CD1 4.14Å; F318-F320 HydrophobicContact CE1-CB 3.84Å; F318-F320 HydrophobicContact CE1-CD1 4.18Å; F318-F320 HydrophobicContact CE1-CG 4.2Å; F318-F358 AromaticContact CE1-CE1 3.78Å; F318-F358 HydrophobicContact CE1-CE1 3.78Å; F318-F358 AromaticContact CE1-CZ 3.63Å; F318-F358 HydrophobicContact CE1-CZ 3.63Å; F318-F358 HydrophobicContact CZ-CE1 4.33Å; F318-F358 HydrophobicContact CZ-CE2 4.43Å; F318-F358 AromaticContact CZ-CZ 3.79Å; F318-F358 HydrophobicContact CZ-CZ 3.79Å; F318-L361 HydrophobicContact CE2-CB 4.33Å; F318-L361 HydrophobicContact CZ-CB 4.22Å; F318-P362 HydrophobicContact CB-CB 3.92Å; F318-P362 HydrophobicContact CB-CG 4.18Å; F318-P362 HydrophobicContact CD1-CB 4.32Å; F318-P362 HydrophobicContact CD1-CG 3.65Å; F318-P362 HydrophobicContact CD2-CB 4.49Å; F318-P362 HydrophobicContact CD2-CG 4.4Å; F318-P362 HydrophobicContact CE1-CG 4.06Å; F318-P362 HydrophobicContact CG-CB 4Å; F318-P362 HydrophobicContact CG-CG 3.81Å; F318-L365 HydrophobicContact CD2-CD1 3.95Å; F318-L365 HydrophobicContact CE2-CD1 3.65Å; F318-L407 PolarHBondContact N-O 2.86Å; F318-L407 PolarHBondContact O-N 3.06Å
319E94.4Very high84.1Confident149 Ų14948.3 Ų48.370%0.69629%0.287SS*.EExtended strand (participates in β ladder)trans-92136.3178.2-67.9177.2-163.700110.4T406E319-T406 HydrophobicContact CG-CG2 3.9Å
320F96.7Very high86.2Confident7 Ų749.1 Ų49.13%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-151.8156.1176.574.9-74.5000111.5F318 E324 L325 F358 F359 P402 S404 G405 L407F318-F320 HydrophobicContact CD1-CB 4.4Å; F318-F320 HydrophobicContact CD1-CD1 4.14Å; F318-F320 HydrophobicContact CE1-CB 3.84Å; F318-F320 HydrophobicContact CE1-CD1 4.18Å; F318-F320 HydrophobicContact CE1-CG 4.2Å; F320-E324 HydrophobicContact CB-CB 4.09Å; F320-E324 HydrophobicContact CB-CG 4.39Å; F320-L325 HydrophobicContact CD2-CD1 4.33Å; F320-L325 HydrophobicContact CD2-CD2 3.79Å; F320-L325 HydrophobicContact CD2-CG 3.95Å; F320-L325 HydrophobicContact CE2-CD1 4.13Å; F320-L325 HydrophobicContact CE2-CD2 3.91Å; F320-L325 HydrophobicContact CE2-CG 4.19Å; F320-F358 HydrophobicContact CB-CE1 4.14Å; F320-F358 HydrophobicContact CB-CZ 3.86Å; F320-F358 HydrophobicContact CD1-CE1 4.48Å; F320-F358 AromaticContact CD2-CE1 3.68Å; F320-F358 HydrophobicContact CD2-CE1 3.68Å; F320-F358 HydrophobicContact CD2-CZ 4.08Å; F320-F358 HydrophobicContact CE2-CE1 4.19Å; F320-F358 AromaticContact CG-CE1 3.83Å; F320-F358 HydrophobicContact CG-CE1 3.83Å; F320-F358 HydrophobicContact CG-CZ 4.08Å; F320-F359 HydrophobicContact CE1-CE1 4.23Å; F320-F359 HydrophobicContact CE2-CE1 4.29Å; F320-F359 HydrophobicContact CE2-CZ 4.18Å; F320-F359 AromaticContact CZ-CE1 3.79Å; F320-F359 HydrophobicContact CZ-CE1 3.79Å; F320-F359 HydrophobicContact CZ-CZ 4.01Å; F320-P402 WeakPolarHBondContact CE2-O 3.5Å; F320-P402 HydrophobicContact CZ-CB 4.35Å; F320-P402 HydrophobicContact CZ-CG 4.02Å; F320-P402 WeakPolarHBondContact CZ-O 3.27Å; F320-S404 CarbonylContact O-C 3.53Å; F320-S404 WeakPolarHBondContact O-CA 3.47Å; F320-G405 VanDerWaalsContact CD1-O 3.31Å; F320-G405 WeakPolarHBondContact CD1-O 3.23Å; F320-G405 PolarHBondContact N-O 3.37Å; F320-G405 PolarHBondContact O-N 3.17Å; F320-L407 HydrophobicContact CD1-CG 4.47Å; F320-L407 HydrophobicContact CE1-CD1 4.13Å; F320-L407 HydrophobicContact CE1-CD2 4.36Å; F320-L407 HydrophobicContact CE1-CG 3.87Å
321N97.3Very high88.5Confident69 Ų6947.3 Ų47.337%0.36926%0.26SS..  trans-139.5-168168.361.668.4000110K323 E324 L325 T403N321-K323 PolarHBondContact O-N 3.22Å; N321-K323 VanDerWaalsContact O-N 3.13Å; N321-K323 WeakPolarHBondContact OD1-CB 3.39Å; N321-K323 PolarHBondContact OD1-N 3.48Å; N321-E324 PolarHBondContact N-OE2 3.02Å; N321-E324 PolarHBondContact ND2-OE2 2.9Å; N321-E324 VanDerWaalsContact ND2-OE2 3.16Å; N321-E324 PolarHBondContact O-N 3.01Å; N321-E324 VanDerWaalsContact O-N 3.15Å; N321-E324 PolarHBondContact OD1-OE2 3.32Å; N321-L325 PolarHBondContact O-N 3.02Å; N321-T403 CarbonylContact C-O 3.41Å
322S97.5Very high90.8Very high35 Ų3545.9 Ų45.925%0.24525%0.245CC..Hα-helixtrans-53.4-33.9179.654.70000113.1E324 L325 I326S322-E324 PolarHBondContact O-N 2.97Å; S322-L325 PolarHBondContact O-N 2.77Å; S322-I326 WeakPolarHBondContact O-CB 3.43Å; S322-I326 WeakPolarHBondContact O-CD1 3.37Å; S322-I326 WeakPolarHBondContact O-CG1 3.31Å; S322-I326 PolarHBondContact O-N 2.78Å
323K97.7Very high92.7Very high138 Ų13841.8 Ų41.860%0.623%0.228SC*.Hα-helixtrans-59.6-48.4178-176.9-171.4170.1-166.50112.1N321 L325 T327N321-K323 PolarHBondContact O-N 3.22Å; N321-K323 VanDerWaalsContact O-N 3.13Å; N321-K323 WeakPolarHBondContact OD1-CB 3.39Å; N321-K323 PolarHBondContact OD1-N 3.48Å; K323-L325 VanDerWaalsContact C-N 3.35Å; K323-T327 VanDerWaalsContact O-CB 3.27Å; K323-T327 WeakPolarHBondContact O-CB 3.14Å; K323-T327 PolarHBondContact O-N 2.91Å; K323-T327 PolarHBondContact O-OG1 3.25Å
324E97.7Very high94.3Very high55 Ų5539.4 Ų39.426%0.25721%0.209SC..Hα-helixtrans-67-39179.6-72.766.7-133.700111.1F320 N321 S322 T327 Y328 F358F320-E324 HydrophobicContact CB-CB 4.09Å; F320-E324 HydrophobicContact CB-CG 4.39Å; N321-E324 PolarHBondContact N-OE2 3.02Å; N321-E324 PolarHBondContact ND2-OE2 2.9Å; N321-E324 VanDerWaalsContact ND2-OE2 3.16Å; N321-E324 PolarHBondContact O-N 3.01Å; N321-E324 VanDerWaalsContact O-N 3.15Å; N321-E324 PolarHBondContact OD1-OE2 3.32Å; S322-E324 PolarHBondContact O-N 2.97Å; E324-T327 PolarHBondContact O-N 3.19Å; E324-Y328 WeakPolarHBondContact O-CB 3.48Å; E324-Y328 PolarHBondContact O-N 2.92Å; E324-F358 HydrophobicContact CB-CE2 4.13Å; E324-F358 HydrophobicContact CB-CZ 4.04Å
325L98.1Very high95.4Very high7 Ų740 Ų404%0.03722%0.216CC..Hα-helixtrans-62.8-47.2176.5-63.3-176.9000112.5F320 N321 S322 K323 Y328 A329 F352 A354 F358 T403F320-L325 HydrophobicContact CD2-CD1 4.33Å; F320-L325 HydrophobicContact CD2-CD2 3.79Å; F320-L325 HydrophobicContact CD2-CG 3.95Å; F320-L325 HydrophobicContact CE2-CD1 4.13Å; F320-L325 HydrophobicContact CE2-CD2 3.91Å; F320-L325 HydrophobicContact CE2-CG 4.19Å; N321-L325 PolarHBondContact O-N 3.02Å; S322-L325 PolarHBondContact O-N 2.77Å; K323-L325 VanDerWaalsContact C-N 3.35Å; L325-Y328 PolarHBondContact O-N 3.35Å; L325-A329 WeakPolarHBondContact O-CB 3.45Å; L325-A329 PolarHBondContact O-N 3.43Å; L325-F352 HydrophobicContact CB-CZ 4.35Å; L325-F352 HydrophobicContact CD1-CE1 4.25Å; L325-F352 HydrophobicContact CD1-CZ 4.14Å; L325-A354 HydrophobicContact CD1-CB 3.91Å; L325-A354 HydrophobicContact CD2-CB 3.64Å; L325-A354 HydrophobicContact CG-CB 4.36Å; L325-F358 HydrophobicContact CD2-CB 4.47Å; L325-F358 HydrophobicContact CD2-CD1 3.4Å; L325-F358 HydrophobicContact CD2-CD2 4.1Å; L325-F358 HydrophobicContact CD2-CE1 3.46Å; L325-F358 VanDerWaalsContact CD2-CE1 3.46Å; L325-F358 HydrophobicContact CD2-CE2 4.16Å; L325-F358 HydrophobicContact CD2-CG 3.73Å; L325-F358 HydrophobicContact CD2-CZ 3.85Å; L325-T403 VanDerWaalsContact CD1-O 3.25Å; L325-T403 WeakPolarHBondContact CD1-O 3.49Å
326I98.3Very high96.1Very high29 Ų2942.6 Ų42.615%0.14924%0.235CC..Hα-helixtrans-66.8-42.5178.9-67.3165.6000110.1S322 Y328 A329 L330 L345 F352S322-I326 WeakPolarHBondContact O-CB 3.43Å; S322-I326 WeakPolarHBondContact O-CD1 3.37Å; S322-I326 WeakPolarHBondContact O-CG1 3.31Å; S322-I326 PolarHBondContact O-N 2.78Å; I326-Y328 VanDerWaalsContact C-N 3.31Å; I326-Y328 PolarHBondContact O-N 3.06Å; I326-A329 PolarHBondContact O-N 3.18Å; I326-L330 HydrophobicContact CG2-CD1 4.08Å; I326-L330 HydrophobicContact CG2-CG 4.46Å; I326-L330 WeakPolarHBondContact O-CG 3.48Å; I326-L330 PolarHBondContact O-N 3.47Å; I326-L345 HydrophobicContact CG2-CD2 4.19Å; I326-F352 HydrophobicContact CD1-CE2 4.39Å; I326-F352 HydrophobicContact CD1-CZ 4.49Å; I326-F352 HydrophobicContact CG1-CE2 4.09Å; I326-F352 HydrophobicContact CG1-CZ 4.3Å
327T98.1Very high96.5Very high31 Ų3149.4 Ų49.419%0.1926%0.262CS..Hα-helixtrans-58.6-44.9175.9-59.80000110.9K323 E324 G331 L493K323-T327 VanDerWaalsContact O-CB 3.27Å; K323-T327 WeakPolarHBondContact O-CB 3.14Å; K323-T327 PolarHBondContact O-N 2.91Å; K323-T327 PolarHBondContact O-OG1 3.25Å; E324-T327 PolarHBondContact O-N 3.19Å; T327-G331 PolarHBondContact O-N 2.83Å; T327-L493 HydrophobicContact CG2-CB 3.83Å
328Y98.4Very high96.7Very high3 Ų350.3 Ų50.31%0.01226%0.261CS..Hα-helixtrans-62.8-47.3175.5177.8-96.4000112.1E324 L325 I326 L330 G331 I332 I355 T357 F358 L361 Y491 S494E324-Y328 WeakPolarHBondContact O-CB 3.48Å; E324-Y328 PolarHBondContact O-N 2.92Å; L325-Y328 PolarHBondContact O-N 3.35Å; I326-Y328 VanDerWaalsContact C-N 3.31Å; I326-Y328 PolarHBondContact O-N 3.06Å; Y328-L330 PolarHBondContact O-N 3.01Å; Y328-G331 CarbonylContact O-C 3.45Å; Y328-G331 WeakPolarHBondContact O-CA 3.48Å; Y328-G331 PolarHBondContact O-N 3.14Å; Y328-I332 HydrophobicContact CD1-CD1 4.21Å; Y328-I332 HydrophobicContact CE1-CD1 3.55Å; Y328-I332 HydrophobicContact CE1-CG1 4.22Å; Y328-I332 HydrophobicContact CE1-CG2 4.36Å; Y328-I332 HydrophobicContact CE2-CG2 4.24Å; Y328-I332 WeakPolarHBondContact O-CG1 3.48Å; Y328-I332 PolarHBondContact O-N 3.03Å; Y328-I355 HydrophobicContact CE1-CB 4.26Å; Y328-I355 HydrophobicContact CE1-CG2 4.37Å; Y328-T357 WeakPolarHBondContact OH-CB 3.28Å; Y328-T357 PolarHBondContact OH-O 3.17Å; Y328-T357 PolarHBondContact OH-OG1 3.04Å; Y328-F358 HydrophobicContact CD1-CB 3.73Å; Y328-F358 HydrophobicContact CD1-CD2 4.11Å; Y328-F358 HydrophobicContact CD1-CG 4.42Å; Y328-F358 AromaticContact CD2-CD2 3.99Å; Y328-F358 HydrophobicContact CD2-CD2 3.99Å; Y328-F358 HydrophobicContact CE1-CB 3.89Å; Y328-F358 HydrophobicContact CG-CB 4.09Å; Y328-F358 AromaticContact CG-CD2 3.62Å; Y328-F358 HydrophobicContact CG-CD2 3.62Å; Y328-F358 HydrophobicContact CG-CG 4.35Å; Y328-L361 HydrophobicContact CD2-CD1 4.07Å; Y328-L361 HydrophobicContact CE2-CD1 4.44Å; Y328-Y491 HydrophobicContact CD2-CE2 4.08Å; Y328-Y491 AromaticContact CE2-CE2 3.63Å; Y328-Y491 HydrophobicContact CE2-CE2 3.63Å; Y328-S494 WeakPolarHBondContact CA-OG 3.37Å
329A98.3Very high96.8Very high1 Ų152.9 Ų52.91%0.00829%0.287CS..Hα-helixtrans-57.6-46.8179.500000111.7L325 I326 G331 I332 G333 A334 F344 L345 I355L325-A329 WeakPolarHBondContact O-CB 3.45Å; L325-A329 PolarHBondContact O-N 3.43Å; I326-A329 PolarHBondContact O-N 3.18Å; A329-G331 VanDerWaalsContact C-N 3.33Å; A329-G331 PolarHBondContact O-N 3.04Å; A329-I332 CarbonylContact O-C 3.44Å; A329-I332 WeakPolarHBondContact O-CG1 3.42Å; A329-I332 PolarHBondContact O-N 3.01Å; A329-G333 PolarHBondContact O-N 3.13Å; A329-A334 HydrophobicContact CB-CB 3.91Å; A329-A334 WeakPolarHBondContact O-CB 3.24Å; A329-A334 PolarHBondContact O-N 3.1Å; A329-F344 HydrophobicContact CB-CB 3.93Å; A329-L345 HydrophobicContact CB-CD2 4.03Å; A329-I355 HydrophobicContact CB-CD1 3.83Å
330L98Very high96.7Very high69 Ų6950.7 Ų50.736%0.36128%0.276SS..Hα-helixtrans-60.9-42.1172.7-68.9170.3000111.6I326 Y328 I332 G333 L345 Q487 L490I326-L330 HydrophobicContact CG2-CD1 4.08Å; I326-L330 HydrophobicContact CG2-CG 4.46Å; I326-L330 WeakPolarHBondContact O-CG 3.48Å; I326-L330 PolarHBondContact O-N 3.47Å; Y328-L330 PolarHBondContact O-N 3.01Å; L330-I332 PolarHBondContact O-N 3.31Å; L330-G333 PolarHBondContact O-N 3.48Å; L330-L345 HydrophobicContact CD2-CD1 4.38Å; L330-L345 HydrophobicContact CD2-CD2 3.6Å; L330-L345 HydrophobicContact CG-CD2 3.66Å; L330-Q487 PolarHBondContact O-NE2 2.83Å; L330-L490 HydrophobicContact CB-CD2 4.12Å
331G98Very high96.7Very high0 Ų050.5 Ų50.50%028%0.275CS..Hα-helixtrans-59.9-22.5176.700000114.6T327 Y328 A329 Q487 C521T327-G331 PolarHBondContact O-N 2.83Å; Y328-G331 CarbonylContact O-C 3.45Å; Y328-G331 WeakPolarHBondContact O-CA 3.48Å; Y328-G331 PolarHBondContact O-N 3.14Å; A329-G331 VanDerWaalsContact C-N 3.33Å; A329-G331 PolarHBondContact O-N 3.04Å; G331-Q487 VanDerWaalsContact C-NE2 3.32Å; G331-Q487 PolarHBondContact O-NE2 3.2Å; G331-C521 PolarHBondContact O-SG 3.09Å
332I98.1Very high96.6Very high0 Ų050 Ų500%027%0.271CS..THydrogen-bonded Turntrans-110.623.9173.966.2166.7000112.7Y328 A329 L330 I355 Y491 F525 R528Y328-I332 HydrophobicContact CD1-CD1 4.21Å; Y328-I332 HydrophobicContact CE1-CD1 3.55Å; Y328-I332 HydrophobicContact CE1-CG1 4.22Å; Y328-I332 HydrophobicContact CE1-CG2 4.36Å; Y328-I332 HydrophobicContact CE2-CG2 4.24Å; Y328-I332 WeakPolarHBondContact O-CG1 3.48Å; Y328-I332 PolarHBondContact O-N 3.03Å; A329-I332 CarbonylContact O-C 3.44Å; A329-I332 WeakPolarHBondContact O-CG1 3.42Å; A329-I332 PolarHBondContact O-N 3.01Å; L330-I332 PolarHBondContact O-N 3.31Å; I332-I355 HydrophobicContact CD1-CB 4.41Å; I332-I355 HydrophobicContact CD1-CD1 3.74Å; I332-I355 HydrophobicContact CD1-CG2 3.89Å; I332-I355 HydrophobicContact CG1-CD1 4.28Å; I332-Y491 HydrophobicContact CG2-CD2 3.71Å; I332-Y491 HydrophobicContact CG2-CE2 3.53Å; I332-F525 WeakPolarHBondContact O-CE1 3.36Å; I332-R528 HydrophobicContact CD1-CG 3.99Å; I332-R528 PolarHBondContact O-NH1 3.41Å
333G97Very high96.6Very high21 Ų2150.3 Ų50.322%0.21627%0.267CS..THydrogen-bonded Turntrans80.318.9168.200000115.6A329 L330 R528A329-G333 PolarHBondContact O-N 3.13Å; L330-G333 PolarHBondContact O-N 3.48Å; G333-R528 PolarHBondContact O-NH1 2.82Å
334A97.2Very high96.6Very high6 Ų643.8 Ų43.85%0.0524%0.239CC..  trans-59.8138.6165.700000109A329 D341 L345A329-A334 HydrophobicContact CB-CB 3.91Å; A329-A334 WeakPolarHBondContact O-CB 3.24Å; A329-A334 PolarHBondContact O-N 3.1Å; A334-D341 HydrophobicContact CB-CB 4.24Å; A334-L345 HydrophobicContact CB-CD1 4.24Å; A334-L345 HydrophobicContact CB-CD2 3.96Å; A334-L345 HydrophobicContact CB-CG 4.19Å
335S95.8Very high96.6Very high42 Ų4242.2 Ų42.229%0.29423%0.232SC..  trans-140.9138.6-172.9-173.20000111.7K337 N338 D341S335-K337 PolarHBondContact O-N 3.14Å; S335-K337 PolarHBondContact OG-N 3.04Å; S335-N338 PolarHBondContact O-N 2.84Å; S335-D341 PolarHBondContact N-OD2 3.18Å
336V95.2Very high96.6Very high108 Ų10846.9 Ų46.966%0.65525%0.25SC*.THydrogen-bonded Turntrans-58.4-17.3170.3-60.70000113.3N338 M342 L345V336-N338 PolarHBondContact O-N 3.49Å; V336-M342 HydrophobicContact CG1-SD 4.32Å; V336-L345 HydrophobicContact CG1-CD1 4.14Å
337K94.4Very high96.6Very high196 Ų19649.9 Ų49.985%0.85226%0.263SS*.THydrogen-bonded Turntrans-68-25172.4-68.8-175.9177.5178.80112.7S335S335-K337 PolarHBondContact O-N 3.14Å; S335-K337 PolarHBondContact OG-N 3.04Å
338N92.5Very high96.5Very high61 Ų6153.6 Ų53.633%0.32628%0.282SS..SBendtrans-101.4105.6175.3178.410.1000108.8S335 V336 K340 D341S335-N338 PolarHBondContact O-N 2.84Å; V336-N338 PolarHBondContact O-N 3.49Å; N338-K340 PolarHBondContact O-N 2.85Å; N338-K340 PolarHBondContact OD1-N 2.88Å; N338-D341 HydrophobicContact CB-CB 4.3Å; N338-D341 WeakPolarHBondContact CB-OD2 3.44Å; N338-D341 VanDerWaalsContact ND2-CG 3.29Å; N338-D341 PolarHBondContact ND2-OD1 2.65Å; N338-D341 PolarHBondContact ND2-OD2 2.83Å; N338-D341 WeakPolarHBondContact O-CB 3.2Å; N338-D341 PolarHBondContact O-N 2.58Å
339A93.1Very high96.4Very high83 Ų8355.7 Ų55.769%0.68629%0.293SS*.G310 helixtrans-54.8-30.7-178.600000113.1D341 M342A339-D341 PolarHBondContact O-N 2.83Å; A339-M342 WeakPolarHBondContact O-CB 3.42Å; A339-M342 WeakPolarHBondContact O-CG 3.38Å; A339-M342 PolarHBondContact O-N 3.32Å
340K93.7Very high96.2Very high104 Ų10460.6 Ų60.645%0.45233%0.333SS..G310 helixtrans-74.8-8.9177.5-63.3-169.3178.8-173.70114.2N338 D536 N537N338-K340 PolarHBondContact O-N 2.85Å; N338-K340 PolarHBondContact OD1-N 2.88Å; K340-D536 IonicContact NZ-OD1 3.87Å; K340-D536 PolarHBondContact NZ-OD1 3.38Å; K340-N537 HydrophobicContact CB-CB 4.41Å; K340-N537 VanDerWaalsContact CB-ND2 3.34Å; K340-N537 WeakPolarHBondContact CB-ND2 3.46Å; K340-N537 PolarHBondContact O-ND2 2.74Å; K340-N537 VanDerWaalsContact O-ND2 3.09Å
341D96.1Very high96.1Very high2 Ų262.2 Ų62.21%0.01134%0.343CS..G310 helixtrans-85.9-10.7173-71.4-22.6000112.1A334 S335 N338 A339 R343 F344 L345 R528A334-D341 HydrophobicContact CB-CB 4.24Å; S335-D341 PolarHBondContact N-OD2 3.18Å; N338-D341 HydrophobicContact CB-CB 4.3Å; N338-D341 WeakPolarHBondContact CB-OD2 3.44Å; N338-D341 VanDerWaalsContact ND2-CG 3.29Å; N338-D341 PolarHBondContact ND2-OD1 2.65Å; N338-D341 PolarHBondContact ND2-OD2 2.83Å; N338-D341 WeakPolarHBondContact O-CB 3.2Å; N338-D341 PolarHBondContact O-N 2.58Å; A339-D341 PolarHBondContact O-N 2.83Å; D341-R343 PolarHBondContact O-N 3.07Å; D341-F344 WeakPolarHBondContact O-CB 3.18Å; D341-F344 PolarHBondContact O-N 3.08Å; D341-L345 HydrophobicContact CB-CD1 4.31Å; D341-L345 PolarHBondContact O-N 2.91Å; D341-R528 IonicContact OD1-CZ 3.3Å; D341-R528 IonicContact OD1-NE 2.83Å; D341-R528 IonicContact OD1-NH2 2.88Å; D341-R528 PolarHBondContact OD1-NH2 3.07Å; D341-R528 IonicContact OD2-CZ 2.87Å; D341-R528 IonicContact OD2-NH2 3.31Å; D341-R528 PolarHBondContact OD2-NH2 2.98Å
342M96.2Very high96.1Very high59 Ų5963.7 Ų63.729%0.29135%0.349SS..Hα-helixtrans-57.8-36.1-176.6-73.1-54.6-53.300113.2V336 A339 F344 L345 Y346V336-M342 HydrophobicContact CG1-SD 4.32Å; A339-M342 WeakPolarHBondContact O-CB 3.42Å; A339-M342 WeakPolarHBondContact O-CG 3.38Å; A339-M342 PolarHBondContact O-N 3.32Å; M342-F344 PolarHBondContact O-N 3.22Å; M342-L345 PolarHBondContact O-N 3.31Å; M342-Y346 HydrophobicContact CE-CG 4.48Å; M342-Y346 PolarHBondContact O-N 2.86Å
343R96.9Very high96Very high41 Ų4164.7 Ų64.716%0.15536%0.357CS..Hα-helixtrans-58.8-14.3172.667.2172.658.4149.91.8115.3D341 D351 F352 A353 D536 N537D341-R343 PolarHBondContact O-N 3.07Å; R343-D351 HydrophobicContact CB-CB 4.27Å; R343-F352 VanDerWaalsContact O-CA 3.3Å; R343-F352 WeakPolarHBondContact O-CA 3.43Å; R343-F352 VanDerWaalsContact O-CD2 3.29Å; R343-F352 WeakPolarHBondContact O-CD2 3.4Å; R343-A353 PolarHBondContact O-N 3.24Å; R343-D536 PolarHBondContact NH1-O 2.94Å; R343-N537 WeakPolarHBondContact CD-O 3.12Å; R343-N537 PolarHBondContact NH1-O 2.93Å
344F98.1Very high96.1Very high2 Ų264 Ų641%0.00935%0.349CS..Hα-helixtrans-106.1-10.1175.7-51.7-55.1000112.7A329 D341 M342 A353 I355 N537 P539A329-F344 HydrophobicContact CB-CB 3.93Å; D341-F344 WeakPolarHBondContact O-CB 3.18Å; D341-F344 PolarHBondContact O-N 3.08Å; M342-F344 PolarHBondContact O-N 3.22Å; F344-A353 WeakPolarHBondContact CD1-O 3.15Å; F344-I355 HydrophobicContact CB-CD1 4.14Å; F344-I355 HydrophobicContact CB-CG1 4.17Å; F344-I355 HydrophobicContact CD1-CD1 4.25Å; F344-I355 HydrophobicContact CD1-CG1 3.49Å; F344-I355 VanDerWaalsContact CD1-CG1 3.49Å; F344-I355 HydrophobicContact CD2-CD1 3.98Å; F344-I355 HydrophobicContact CD2-CG1 4.05Å; F344-I355 HydrophobicContact CE1-CG1 3.77Å; F344-I355 HydrophobicContact CE2-CD1 4.43Å; F344-I355 HydrophobicContact CE2-CG1 4.29Å; F344-I355 HydrophobicContact CG-CD1 3.87Å; F344-I355 HydrophobicContact CG-CG1 3.65Å; F344-I355 HydrophobicContact CZ-CG1 4.15Å; F344-N537 HydrophobicContact CE2-CB 4.27Å; F344-N537 HydrophobicContact CZ-CB 4.42Å; F344-N537 VanDerWaalsContact CZ-O 3.3Å; F344-N537 WeakPolarHBondContact CZ-O 3.32Å; F344-P539 HydrophobicContact CE1-CB 4.36Å; F344-P539 HydrophobicContact CE1-CG 4.02Å
345L98Very high96.1Very high21 Ų2163.9 Ų63.911%0.1135%0.348CS..Hα-helixtrans-117.5-10.8-170.1-65.1-178.9000113.6I326 A329 L330 A334 V336 D341 M342I326-L345 HydrophobicContact CG2-CD2 4.19Å; A329-L345 HydrophobicContact CB-CD2 4.03Å; L330-L345 HydrophobicContact CD2-CD1 4.38Å; L330-L345 HydrophobicContact CD2-CD2 3.6Å; L330-L345 HydrophobicContact CG-CD2 3.66Å; A334-L345 HydrophobicContact CB-CD1 4.24Å; A334-L345 HydrophobicContact CB-CD2 3.96Å; A334-L345 HydrophobicContact CB-CG 4.19Å; V336-L345 HydrophobicContact CG1-CD1 4.14Å; D341-L345 HydrophobicContact CB-CD1 4.31Å; D341-L345 PolarHBondContact O-N 2.91Å; M342-L345 PolarHBondContact O-N 3.31Å
346Y97.8Very high96.2Very high106 Ų10661.9 Ų61.942%0.41633%0.334SS..  trans-134.3112.8-177-177.1-137000111.3M342 N348 D349 F352M342-Y346 HydrophobicContact CE-CG 4.48Å; M342-Y346 PolarHBondContact O-N 2.86Å; Y346-N348 HydrophobicContact CD1-CB 4.44Å; Y346-N348 HydrophobicContact CE1-CB 3.8Å; Y346-N348 HydrophobicContact CE2-CB 3.94Å; Y346-N348 WeakPolarHBondContact CE2-ND2 3.23Å; Y346-N348 PolarHBondContact O-N 3.09Å; Y346-D349 HydrophobicContact CD1-CB 4.06Å; Y346-D349 VanDerWaalsContact CD1-N 3.35Å; Y346-D349 WeakPolarHBondContact O-CB 3.43Å; Y346-D349 PolarHBondContact O-N 3.01Å; Y346-F352 WeakPolarHBondContact O-CD2 3.39Å
347E96.8Very high96.4Very high92 Ų9256.8 Ų56.843%0.4330%0.303SS..THydrogen-bonded Turntrans-66.3-16.1-176.368.1-81-171.100114.5F352E347-F352 HydrophobicContact CB-CD1 4.33Å; E347-F352 HydrophobicContact CB-CE1 4.16Å; E347-F352 HydrophobicContact CB-CZ 4.28Å
348N97.1Very high96.5Very high109 Ų10947.5 Ų47.558%0.58326%0.263SS*.THydrogen-bonded Turntrans-102.37.8172.6-48.4-73.3000113Y346Y346-N348 HydrophobicContact CD1-CB 4.44Å; Y346-N348 HydrophobicContact CE1-CB 3.8Å; Y346-N348 HydrophobicContact CE2-CB 3.94Å; Y346-N348 WeakPolarHBondContact CE2-ND2 3.23Å; Y346-N348 PolarHBondContact O-N 3.09Å
349D95.9Very high96.8Very high46 Ų4644.6 Ų44.625%0.24625%0.247CC..SBendtrans-61.8136.3166-166.4-68.8000108.6Y346 D351 F352Y346-D349 HydrophobicContact CD1-CB 4.06Å; Y346-D349 VanDerWaalsContact CD1-N 3.35Å; Y346-D349 WeakPolarHBondContact O-CB 3.43Å; Y346-D349 PolarHBondContact O-N 3.01Å; D349-D351 PolarHBondContact O-N 3.47Å; D349-D351 VanDerWaalsContact O-N 3.16Å; D349-D351 PolarHBondContact OD1-N 2.81Å; D349-F352 HydrophobicContact CB-CB 4.33Å; D349-F352 WeakPolarHBondContact O-CB 3.5Å; D349-F352 PolarHBondContact O-N 2.87Å
350A95.3Very high97Very high104 Ų10440.8 Ų40.886%0.8622%0.215SC*.THydrogen-bonded Turntrans-61.8-25.6-177.800000112.4
351D95.3Very high97Very high104 Ų10436 Ų3656%0.55619%0.194SC*.THydrogen-bonded Turntrans-105.121.4177.4-61.3-38.3000111.9R343 D349 A353R343-D351 HydrophobicContact CB-CB 4.27Å; D349-D351 PolarHBondContact O-N 3.47Å; D349-D351 VanDerWaalsContact O-N 3.16Å; D349-D351 PolarHBondContact OD1-N 2.81Å; D351-A353 PolarHBondContact O-N 3.1Å
352F97.5Very high96.9Very high30 Ų3036 Ų3613%0.13220%0.195CC..  trans-53.7124.3-177.4179.7-116000111.5L325 I326 R343 Y346 E347 D349 T403L325-F352 HydrophobicContact CB-CZ 4.35Å; L325-F352 HydrophobicContact CD1-CE1 4.25Å; L325-F352 HydrophobicContact CD1-CZ 4.14Å; I326-F352 HydrophobicContact CD1-CE2 4.39Å; I326-F352 HydrophobicContact CD1-CZ 4.49Å; I326-F352 HydrophobicContact CG1-CE2 4.09Å; I326-F352 HydrophobicContact CG1-CZ 4.3Å; R343-F352 VanDerWaalsContact O-CA 3.3Å; R343-F352 WeakPolarHBondContact O-CA 3.43Å; R343-F352 VanDerWaalsContact O-CD2 3.29Å; R343-F352 WeakPolarHBondContact O-CD2 3.4Å; Y346-F352 WeakPolarHBondContact O-CD2 3.39Å; E347-F352 HydrophobicContact CB-CD1 4.33Å; E347-F352 HydrophobicContact CB-CE1 4.16Å; E347-F352 HydrophobicContact CB-CZ 4.28Å; D349-F352 HydrophobicContact CB-CB 4.33Å; D349-F352 WeakPolarHBondContact O-CB 3.5Å; D349-F352 PolarHBondContact O-N 2.87Å; F352-T403 HydrophobicContact CD1-CG2 3.77Å; F352-T403 HydrophobicContact CE1-CG2 3.94Å
353A97.2Very high96.7Very high21 Ų2133.5 Ų33.517%0.17418%0.184CC..  trans-149.3158.1-174.900000111.8R343 F344 D351 P539R343-A353 PolarHBondContact O-N 3.24Å; F344-A353 WeakPolarHBondContact CD1-O 3.15Å; D351-A353 PolarHBondContact O-N 3.1Å; A353-P539 HydrophobicContact CB-CG 3.52Å
354A97.5Very high96.3Very high6 Ų632 Ų325%0.0518%0.179CC..  trans-78.6144.3171.100000111.1L325 F359 P539L325-A354 HydrophobicContact CD1-CB 3.91Å; L325-A354 HydrophobicContact CD2-CB 3.64Å; L325-A354 HydrophobicContact CG-CB 4.36Å; A354-F359 HydrophobicContact CB-CE2 3.58Å; A354-F359 HydrophobicContact CB-CZ 4.08Å; A354-P539 WeakPolarHBondContact O-CB 3.24Å
355I98Very high95.8Very high4 Ų434.2 Ų34.22%0.02119%0.19CC..  trans-73.8125164.6-60.8176.4000107.6Y328 A329 I332 F344 T357 F358 R528Y328-I355 HydrophobicContact CE1-CB 4.26Å; Y328-I355 HydrophobicContact CE1-CG2 4.37Å; A329-I355 HydrophobicContact CB-CD1 3.83Å; I332-I355 HydrophobicContact CD1-CB 4.41Å; I332-I355 HydrophobicContact CD1-CD1 3.74Å; I332-I355 HydrophobicContact CD1-CG2 3.89Å; I332-I355 HydrophobicContact CG1-CD1 4.28Å; F344-I355 HydrophobicContact CB-CD1 4.14Å; F344-I355 HydrophobicContact CB-CG1 4.17Å; F344-I355 HydrophobicContact CD1-CD1 4.25Å; F344-I355 HydrophobicContact CD1-CG1 3.49Å; F344-I355 VanDerWaalsContact CD1-CG1 3.49Å; F344-I355 HydrophobicContact CD2-CD1 3.98Å; F344-I355 HydrophobicContact CD2-CG1 4.05Å; F344-I355 HydrophobicContact CE1-CG1 3.77Å; F344-I355 HydrophobicContact CE2-CD1 4.43Å; F344-I355 HydrophobicContact CE2-CG1 4.29Å; F344-I355 HydrophobicContact CG-CD1 3.87Å; F344-I355 HydrophobicContact CG-CG1 3.65Å; F344-I355 HydrophobicContact CZ-CG1 4.15Å; I355-T357 PolarHBondContact O-N 3.14Å; I355-F358 VanDerWaalsContact O-CB 3.24Å; I355-F358 WeakPolarHBondContact O-CB 3.38Å; I355-F358 PolarHBondContact O-N 3.07Å; I355-R528 HydrophobicContact CD1-CG 4.19Å
356P98.1Very high95.3Very high0 Ų033.5 Ų33.50%019%0.187CC..G310 helixtrans-52.7-36.2-169.7-31.736.1000115F358 F359 L395 I397 L401 P539 F542P356-F358 PolarHBondContact O-N 3.36Å; P356-F358 VanDerWaalsContact O-N 3.12Å; P356-F359 WeakPolarHBondContact O-CD2 3.38Å; P356-F359 PolarHBondContact O-N 3.16Å; P356-L395 VanDerWaalsContact O-CD2 3.3Å; P356-L395 WeakPolarHBondContact O-CD2 3.26Å; P356-I397 HydrophobicContact CB-CD1 4.31Å; P356-I397 HydrophobicContact CB-CG1 4.1Å; P356-L401 HydrophobicContact CB-CD1 4.38Å; P356-P539 HydrophobicContact CG-CB 3.96Å; P356-F542 HydrophobicContact CB-CB 4.3Å; P356-F542 HydrophobicContact CB-CD1 3.5Å; P356-F542 VanDerWaalsContact CB-CD1 3.5Å; P356-F542 HydrophobicContact CB-CD2 4.28Å; P356-F542 HydrophobicContact CB-CE1 3.76Å; P356-F542 HydrophobicContact CB-CE2 4.49Å; P356-F542 HydrophobicContact CB-CG 3.78Å; P356-F542 HydrophobicContact CB-CZ 4.24Å; P356-F542 HydrophobicContact CG-CB 3.65Å; P356-F542 HydrophobicContact CG-CD1 3.83Å; P356-F542 HydrophobicContact CG-CD2 4.24Å; P356-F542 HydrophobicContact CG-CG 3.65Å
357T98.1Very high94.4Very high1 Ų129.2 Ų29.21%0.00617%0.171CC..G310 helixtrans-65.7-12.9-178.9510000114.4Y328 I355 F359 V360 L395 L523 V527Y328-T357 WeakPolarHBondContact OH-CB 3.28Å; Y328-T357 PolarHBondContact OH-O 3.17Å; Y328-T357 PolarHBondContact OH-OG1 3.04Å; I355-T357 PolarHBondContact O-N 3.14Å; T357-F359 PolarHBondContact O-N 3.15Å; T357-V360 PolarHBondContact O-N 2.88Å; T357-L395 HydrophobicContact CG2-CD2 4.43Å; T357-L523 HydrophobicContact CG2-CG 4.3Å; T357-V527 HydrophobicContact CG2-CB 3.89Å; T357-V527 HydrophobicContact CG2-CG1 4.03Å; T357-V527 HydrophobicContact CG2-CG2 3.58Å
358F98.1Very high93.4Very high1 Ų129.1 Ų29.10%0.00417%0.171CC..G310 helixtrans-54.2-39.4167.8175.2-103.2000111.3F318 F320 E324 L325 Y328 I355 P356 V360 L361F318-F358 AromaticContact CE1-CE1 3.78Å; F318-F358 HydrophobicContact CE1-CE1 3.78Å; F318-F358 AromaticContact CE1-CZ 3.63Å; F318-F358 HydrophobicContact CE1-CZ 3.63Å; F318-F358 HydrophobicContact CZ-CE1 4.33Å; F318-F358 HydrophobicContact CZ-CE2 4.43Å; F318-F358 AromaticContact CZ-CZ 3.79Å; F318-F358 HydrophobicContact CZ-CZ 3.79Å; F320-F358 HydrophobicContact CB-CE1 4.14Å; F320-F358 HydrophobicContact CB-CZ 3.86Å; F320-F358 HydrophobicContact CD1-CE1 4.48Å; F320-F358 AromaticContact CD2-CE1 3.68Å; F320-F358 HydrophobicContact CD2-CE1 3.68Å; F320-F358 HydrophobicContact CD2-CZ 4.08Å; F320-F358 HydrophobicContact CE2-CE1 4.19Å; F320-F358 AromaticContact CG-CE1 3.83Å; F320-F358 HydrophobicContact CG-CE1 3.83Å; F320-F358 HydrophobicContact CG-CZ 4.08Å; E324-F358 HydrophobicContact CB-CE2 4.13Å; E324-F358 HydrophobicContact CB-CZ 4.04Å; L325-F358 HydrophobicContact CD2-CB 4.47Å; L325-F358 HydrophobicContact CD2-CD1 3.4Å; L325-F358 HydrophobicContact CD2-CD2 4.1Å; L325-F358 HydrophobicContact CD2-CE1 3.46Å; L325-F358 VanDerWaalsContact CD2-CE1 3.46Å; L325-F358 HydrophobicContact CD2-CE2 4.16Å; L325-F358 HydrophobicContact CD2-CG 3.73Å; L325-F358 HydrophobicContact CD2-CZ 3.85Å; Y328-F358 HydrophobicContact CD1-CB 3.73Å; Y328-F358 HydrophobicContact CD1-CD2 4.11Å; Y328-F358 HydrophobicContact CD1-CG 4.42Å; Y328-F358 AromaticContact CD2-CD2 3.99Å; Y328-F358 HydrophobicContact CD2-CD2 3.99Å; Y328-F358 HydrophobicContact CE1-CB 3.89Å; Y328-F358 HydrophobicContact CG-CB 4.09Å; Y328-F358 AromaticContact CG-CD2 3.62Å; Y328-F358 HydrophobicContact CG-CD2 3.62Å; Y328-F358 HydrophobicContact CG-CG 4.35Å; I355-F358 VanDerWaalsContact O-CB 3.24Å; I355-F358 WeakPolarHBondContact O-CB 3.38Å; I355-F358 PolarHBondContact O-N 3.07Å; P356-F358 PolarHBondContact O-N 3.36Å; P356-F358 VanDerWaalsContact O-N 3.12Å; F358-V360 PolarHBondContact O-N 3.2Å; F358-L361 HydrophobicContact CD2-CD1 3.71Å; F358-L361 HydrophobicContact CE2-CD1 3.77Å; F358-L361 VanDerWaalsContact O-CB 3.32Å; F358-L361 WeakPolarHBondContact O-CB 3.46Å; F358-L361 VanDerWaalsContact O-CG 3.3Å; F358-L361 WeakPolarHBondContact O-CG 3.43Å; F358-L361 PolarHBondContact O-N 3.2Å
359F97.7Very high92.1Very high1 Ų127.5 Ų27.50%0.00417%0.169CC..G310 helixtrans-77.59.7-175.1-62.8-84.2000114.5F320 A354 P356 T357 L361 L395 L401 L407 V440 N442F320-F359 HydrophobicContact CE1-CE1 4.23Å; F320-F359 HydrophobicContact CE2-CE1 4.29Å; F320-F359 HydrophobicContact CE2-CZ 4.18Å; F320-F359 AromaticContact CZ-CE1 3.79Å; F320-F359 HydrophobicContact CZ-CE1 3.79Å; F320-F359 HydrophobicContact CZ-CZ 4.01Å; A354-F359 HydrophobicContact CB-CE2 3.58Å; A354-F359 HydrophobicContact CB-CZ 4.08Å; P356-F359 WeakPolarHBondContact O-CD2 3.38Å; P356-F359 PolarHBondContact O-N 3.16Å; T357-F359 PolarHBondContact O-N 3.15Å; F359-L361 VanDerWaalsContact C-N 3.31Å; F359-L395 HydrophobicContact CB-CD1 4.38Å; F359-L401 HydrophobicContact CD1-CD2 4.25Å; F359-L401 HydrophobicContact CD2-CD1 3.71Å; F359-L401 HydrophobicContact CD2-CD2 3.72Å; F359-L401 HydrophobicContact CD2-CG 4.2Å; F359-L401 HydrophobicContact CE1-CD2 4.21Å; F359-L401 HydrophobicContact CE2-CB 3.82Å; F359-L401 HydrophobicContact CE2-CD1 3.6Å; F359-L401 HydrophobicContact CE2-CD2 3.67Å; F359-L401 HydrophobicContact CE2-CG 3.88Å; F359-L401 HydrophobicContact CG-CD2 4.02Å; F359-L401 HydrophobicContact CZ-CB 4Å; F359-L401 HydrophobicContact CZ-CD2 3.92Å; F359-L401 HydrophobicContact CZ-CG 4.36Å; F359-L407 HydrophobicContact CD1-CD1 3.65Å; F359-L407 HydrophobicContact CE1-CD1 3.77Å; F359-V440 HydrophobicContact CB-CG1 4.07Å; F359-V440 HydrophobicContact CB-CG2 3.82Å; F359-V440 HydrophobicContact CD1-CG2 4.22Å; F359-V440 HydrophobicContact CG-CG2 4.1Å; F359-N442 PolarHBondContact O-ND2 3.32Å
360V97Very high90.4Very high3 Ų326.5 Ų26.52%0.01816%0.164CC..G310 helixtrans-71.1-32.1159.8176.40000110.9T357 F358 G363 L364 Q393 L395 L520T357-V360 PolarHBondContact O-N 2.88Å; F358-V360 PolarHBondContact O-N 3.2Å; V360-G363 PolarHBondContact O-N 3.43Å; V360-L364 HydrophobicContact CG1-CB 4.42Å; V360-L364 WeakPolarHBondContact O-CB 3.47Å; V360-L364 PolarHBondContact O-N 3.37Å; V360-Q393 HydrophobicContact CG1-CG 4.13Å; V360-Q393 HydrophobicContact CG2-CG 4.13Å; V360-L395 HydrophobicContact CG2-CB 4.03Å; V360-L395 HydrophobicContact CG2-CD1 4.21Å; V360-L395 HydrophobicContact CG2-CD2 4Å; V360-L395 HydrophobicContact CG2-CG 4.31Å; V360-L520 HydrophobicContact CG1-CD1 4.12Å; V360-L520 HydrophobicContact CG1-CD2 3.94Å
361L94.8Very high88.8Confident2 Ų227.6 Ų27.61%0.0116%0.155CC..Hα-helixtrans-59.4-44.2-170.7-67.3169.5000114.5F318 Y328 F358 F359 G363 L364 L365 S494F318-L361 HydrophobicContact CE2-CB 4.33Å; F318-L361 HydrophobicContact CZ-CB 4.22Å; Y328-L361 HydrophobicContact CD2-CD1 4.07Å; Y328-L361 HydrophobicContact CE2-CD1 4.44Å; F358-L361 HydrophobicContact CD2-CD1 3.71Å; F358-L361 HydrophobicContact CE2-CD1 3.77Å; F358-L361 VanDerWaalsContact O-CB 3.32Å; F358-L361 WeakPolarHBondContact O-CB 3.46Å; F358-L361 VanDerWaalsContact O-CG 3.3Å; F358-L361 WeakPolarHBondContact O-CG 3.43Å; F358-L361 PolarHBondContact O-N 3.2Å; F359-L361 VanDerWaalsContact C-N 3.31Å; L361-G363 VanDerWaalsContact C-N 3.33Å; L361-G363 PolarHBondContact O-N 3.01Å; L361-L364 HydrophobicContact CD2-CD2 4.43Å; L361-L364 PolarHBondContact O-N 3.41Å; L361-L365 WeakPolarHBondContact O-CB 3.26Å; L361-L365 VanDerWaalsContact O-CG 3.28Å; L361-L365 WeakPolarHBondContact O-CG 3.49Å; L361-L365 PolarHBondContact O-N 3.32Å; L361-S494 WeakPolarHBondContact CD1-O 3.2Å
362P93.8Very high87Confident4 Ų427.9 Ų27.93%0.02615%0.152CC..Hα-helixtrans-57.4-46.7179.4-22.431.5000112.2F318 L366 L407 T409F318-P362 HydrophobicContact CB-CB 3.92Å; F318-P362 HydrophobicContact CB-CG 4.18Å; F318-P362 HydrophobicContact CD1-CB 4.32Å; F318-P362 HydrophobicContact CD1-CG 3.65Å; F318-P362 HydrophobicContact CD2-CB 4.49Å; F318-P362 HydrophobicContact CD2-CG 4.4Å; F318-P362 HydrophobicContact CE1-CG 4.06Å; F318-P362 HydrophobicContact CG-CB 4Å; F318-P362 HydrophobicContact CG-CG 3.81Å; P362-L366 VanDerWaalsContact O-CB 3.24Å; P362-L366 WeakPolarHBondContact O-CB 3.27Å; P362-L366 PolarHBondContact O-N 3.12Å; P362-L366 VanDerWaalsContact O-N 3.07Å; P362-L407 HydrophobicContact CG-CD1 4.12Å; P362-T409 HydrophobicContact CB-CG2 4.28Å; P362-T409 VanDerWaalsContact CB-OG1 3.23Å; P362-T409 WeakPolarHBondContact CB-OG1 3.25Å
363G92.3Very high85.5Confident5 Ų526.9 Ų26.95%0.05215%0.148CC..Hα-helixtrans-67.4-40.9178.200000113.3V360 L361 Q367 S429V360-G363 PolarHBondContact O-N 3.43Å; L361-G363 VanDerWaalsContact C-N 3.33Å; L361-G363 PolarHBondContact O-N 3.01Å; G363-Q367 WeakPolarHBondContact O-CB 3.4Å; G363-Q367 PolarHBondContact O-N 2.97Å; G363-Q367 VanDerWaalsContact O-N 3.08Å; G363-S429 VanDerWaalsContact CA-OG 3.23Å; G363-S429 WeakPolarHBondContact CA-OG 3.4Å
364L88.7Confident84.2Confident10 Ų1026.6 Ų26.65%0.05214%0.143CC..Hα-helixtrans-63.9-49.9176.9179.474000112V360 L361 L366 Q367 M368 L520V360-L364 HydrophobicContact CG1-CB 4.42Å; V360-L364 WeakPolarHBondContact O-CB 3.47Å; V360-L364 PolarHBondContact O-N 3.37Å; L361-L364 HydrophobicContact CD2-CD2 4.43Å; L361-L364 PolarHBondContact O-N 3.41Å; L364-L366 VanDerWaalsContact C-N 3.32Å; L364-L366 PolarHBondContact O-N 2.8Å; L364-Q367 WeakPolarHBondContact O-CB 3.44Å; L364-Q367 PolarHBondContact O-N 2.89Å; L364-Q367 VanDerWaalsContact O-N 3.16Å; L364-M368 HydrophobicContact CD1-CG 4.44Å; L364-M368 HydrophobicContact CD1-SD 4.21Å; L364-M368 HydrophobicContact CD2-SD 4.22Å; L364-M368 HydrophobicContact CG-CG 4.4Å; L364-M368 HydrophobicContact CG-SD 3.88Å; L364-M368 WeakPolarHBondContact O-CG 3.49Å; L364-M368 PolarHBondContact O-N 2.86Å; L364-L520 HydrophobicContact CD1-CD1 4.27Å; L364-L520 HydrophobicContact CD2-CD1 3.38Å; L364-L520 HydrophobicContact CG-CD1 4.35Å
365L87.7Confident82.8Confident48 Ų4828.2 Ų28.225%0.25115%0.154SC..Hα-helixtrans-65.1-39.7-177.9-69.4177.4000111.1F318 L361 Q367 M368 S369F318-L365 HydrophobicContact CD2-CD1 3.95Å; F318-L365 HydrophobicContact CE2-CD1 3.65Å; L361-L365 WeakPolarHBondContact O-CB 3.26Å; L361-L365 VanDerWaalsContact O-CG 3.28Å; L361-L365 WeakPolarHBondContact O-CG 3.49Å; L361-L365 PolarHBondContact O-N 3.32Å; L365-Q367 VanDerWaalsContact C-N 3.32Å; L365-Q367 PolarHBondContact O-N 3.03Å; L365-M368 PolarHBondContact O-N 2.96Å; L365-S369 VanDerWaalsContact O-CB 3.28Å; L365-S369 WeakPolarHBondContact O-CB 3.38Å; L365-S369 PolarHBondContact O-N 3.06Å; L365-S369 PolarHBondContact O-OG 3.32Å
366L85.8Confident81.4Confident7 Ų734.2 Ų34.24%0.03718%0.18CC..Hα-helixtrans-55.1-50.2171.6179.961.9000110.6I314 D316 P362 L364 M368 S369 T370 T409I314-L366 HydrophobicContact CB-CD1 4.05Å; I314-L366 HydrophobicContact CD1-CD1 3.74Å; I314-L366 HydrophobicContact CD1-CD2 4.35Å; I314-L366 HydrophobicContact CD1-CG 3.59Å; I314-L366 HydrophobicContact CG1-CD1 3.79Å; I314-L366 HydrophobicContact CG1-CD2 4.07Å; I314-L366 HydrophobicContact CG1-CG 3.79Å; D316-L366 HydrophobicContact CB-CD1 3.81Å; P362-L366 VanDerWaalsContact O-CB 3.24Å; P362-L366 WeakPolarHBondContact O-CB 3.27Å; P362-L366 PolarHBondContact O-N 3.12Å; P362-L366 VanDerWaalsContact O-N 3.07Å; L364-L366 VanDerWaalsContact C-N 3.32Å; L364-L366 PolarHBondContact O-N 2.8Å; L366-M368 PolarHBondContact O-N 3.45Å; L366-S369 PolarHBondContact O-N 3.28Å; L366-S369 PolarHBondContact O-OG 3.09Å; L366-T370 PolarHBondContact O-OG1 2.72Å; L366-T370 VanDerWaalsContact O-OG1 3.11Å; L366-T409 HydrophobicContact CD2-CG2 3.8Å; L366-T409 WeakPolarHBondContact CD2-O 3.49Å
367Q80.1Confident80.1Confident15 Ų1535.3 Ų35.37%0.0719%0.189CC..Hα-helixtrans-60.1-44.8177.2-175.2-173.8-6.800112.8G363 L364 L365 T370 L373 T427 S444 T446G363-Q367 WeakPolarHBondContact O-CB 3.4Å; G363-Q367 PolarHBondContact O-N 2.97Å; G363-Q367 VanDerWaalsContact O-N 3.08Å; L364-Q367 WeakPolarHBondContact O-CB 3.44Å; L364-Q367 PolarHBondContact O-N 2.89Å; L364-Q367 VanDerWaalsContact O-N 3.16Å; L365-Q367 VanDerWaalsContact C-N 3.32Å; L365-Q367 PolarHBondContact O-N 3.03Å; Q367-T370 PolarHBondContact O-OG1 2.7Å; Q367-L373 HydrophobicContact CG-CD2 4.44Å; Q367-T427 HydrophobicContact CG-CG2 4.48Å; Q367-T427 PolarHBondContact OE1-OG1 3.19Å; Q367-S444 PolarHBondContact OE1-OG 2.78Å; Q367-T446 PolarHBondContact NE2-OG1 3.06Å
368M75.9Confident79.1Confident90 Ų9035.7 Ų35.744%0.44319%0.191SC..Hα-helixtrans-70.8-30.1-177.9-70.1178.375.200113.4L364 L365 L366 T370 N498L364-M368 HydrophobicContact CD1-CG 4.44Å; L364-M368 HydrophobicContact CD1-SD 4.21Å; L364-M368 HydrophobicContact CD2-SD 4.22Å; L364-M368 HydrophobicContact CG-CG 4.4Å; L364-M368 HydrophobicContact CG-SD 3.88Å; L364-M368 WeakPolarHBondContact O-CG 3.49Å; L364-M368 PolarHBondContact O-N 2.86Å; L365-M368 PolarHBondContact O-N 2.96Å; L366-M368 PolarHBondContact O-N 3.45Å; M368-T370 PolarHBondContact O-N 3.45Å; M368-N498 HydrophobicContact CE-CB 4.37Å
369S69.2Low77.6Confident76 Ų7640 Ų4053%0.53122%0.22SC..Hα-helixtrans-76.4-9.4-17969.40000113.7L365 L366L365-S369 VanDerWaalsContact O-CB 3.28Å; L365-S369 WeakPolarHBondContact O-CB 3.38Å; L365-S369 PolarHBondContact O-N 3.06Å; L365-S369 PolarHBondContact O-OG 3.32Å; L366-S369 PolarHBondContact O-N 3.28Å; L366-S369 PolarHBondContact O-OG 3.09Å
370T61Low75.9Confident25 Ų2545 Ų4515%0.15325%0.246CC..  trans-124.194.9-172.257.60000112.7I314 L366 Q367 M368 K372 L373I314-T370 HydrophobicContact CB-CG2 4.28Å; I314-T370 HydrophobicContact CD1-CG2 3.6Å; I314-T370 WeakPolarHBondContact CD1-OG1 3.32Å; I314-T370 HydrophobicContact CG2-CG2 4.06Å; L366-T370 PolarHBondContact O-OG1 2.72Å; L366-T370 VanDerWaalsContact O-OG1 3.11Å; Q367-T370 PolarHBondContact O-OG1 2.7Å; M368-T370 PolarHBondContact O-N 3.45Å; T370-K372 PolarHBondContact O-N 3.45Å; T370-L373 PolarHBondContact O-N 3.28Å; T370-L373 VanDerWaalsContact O-N 3.15Å
371D60.2Low74Confident126 Ų12649.9 Ų49.967%0.67428%0.281SS*.Hα-helixtrans-51.3-31.4166-82-15.5000111.6L373 S375D371-L373 VanDerWaalsContact C-N 3.3Å; D371-L373 PolarHBondContact O-N 3.37Å; D371-S375 VanDerWaalsContact O-CB 3.23Å; D371-S375 WeakPolarHBondContact O-CB 3.47Å; D371-S375 PolarHBondContact O-N 3.47Å; D371-S375 PolarHBondContact O-OG 3.23Å
372K57.7Low72.1Confident111 Ų11159 Ų5948%0.48332%0.323SS..Hα-helixtrans-57.2-36.9-179.3-65.7-174.1179.1-1760113.8T370 K376T370-K372 PolarHBondContact O-N 3.45Å; K372-K376 VanDerWaalsContact O-CB 3.28Å; K372-K376 WeakPolarHBondContact O-CB 3.28Å; K372-K376 WeakPolarHBondContact O-CG 3.36Å; K372-K376 PolarHBondContact O-N 3.01Å
373L66.9Low70.5Confident8 Ų859.8 Ų59.84%0.04233%0.328CS..Hα-helixtrans-71.6-42.5-172.1-161.6115.4000111.3I314 Q367 T370 D371 A377 V413 T427I314-L373 HydrophobicContact CD1-CB 4.22Å; I314-L373 HydrophobicContact CD1-CD1 3.49Å; I314-L373 VanDerWaalsContact CD1-CD1 3.49Å; I314-L373 HydrophobicContact CD1-CG 4.38Å; I314-L373 HydrophobicContact CG1-CD1 3.67Å; Q367-L373 HydrophobicContact CG-CD2 4.44Å; T370-L373 PolarHBondContact O-N 3.28Å; T370-L373 VanDerWaalsContact O-N 3.15Å; D371-L373 VanDerWaalsContact C-N 3.3Å; D371-L373 PolarHBondContact O-N 3.37Å; L373-A377 WeakPolarHBondContact O-CB 3.24Å; L373-V413 HydrophobicContact CD1-CG2 4.4Å; L373-V413 HydrophobicContact CD2-CG2 3.87Å; L373-V413 HydrophobicContact CG-CG2 3.69Å; L373-V413 VanDerWaalsContact O-CG2 3.27Å; L373-V413 WeakPolarHBondContact O-CG2 3.22Å; L373-T427 HydrophobicContact CD2-CG2 3.31Å
374L70Confident69.3Low16 Ų1664.6 Ų64.68%0.08435%0.352CS..Hα-helixtrans-81.9-42.3178.9-65.4173.8000112.4K376 A377 L378 F385 I388 V425 I448L374-K376 PolarHBondContact O-N 2.84Å; L374-A377 WeakPolarHBondContact O-CB 3.5Å; L374-A377 PolarHBondContact O-N 3.16Å; L374-L378 PolarHBondContact O-N 3.07Å; L374-F385 HydrophobicContact CB-CE1 3.82Å; L374-F385 HydrophobicContact CB-CZ 4.26Å; L374-F385 HydrophobicContact CD1-CE1 4.42Å; L374-I388 HydrophobicContact CD1-CD1 4.19Å; L374-V425 HydrophobicContact CD2-CB 3.87Å; L374-V425 HydrophobicContact CD2-CG1 3.86Å; L374-V425 HydrophobicContact CD2-CG2 4.07Å; L374-I448 HydrophobicContact CD2-CD1 4.31Å
375S67.3Low68.2Low40 Ų4067.2 Ų67.228%0.2836%0.363SS..Hα-helixtrans-66.4-34.8-177.359.70000113.6D371D371-S375 VanDerWaalsContact O-CB 3.23Å; D371-S375 WeakPolarHBondContact O-CB 3.47Å; D371-S375 PolarHBondContact O-N 3.47Å; D371-S375 PolarHBondContact O-OG 3.23Å
376K67.9Low67.3Low130 Ų13068.6 Ų68.657%0.56538%0.377SS*.Hα-helixtrans-73.1-30.9173.5-75.9-176.9168-168.40113.3G311 D312 K372 L374 L378G311-K376 PolarHBondContact O-NZ 2.83Å; D312-K376 IonicContact OD1-NZ 3.87Å; D312-K376 PolarHBondContact OD1-NZ 2.77Å; K372-K376 VanDerWaalsContact O-CB 3.28Å; K372-K376 WeakPolarHBondContact O-CB 3.28Å; K372-K376 WeakPolarHBondContact O-CG 3.36Å; K372-K376 PolarHBondContact O-N 3.01Å; L374-K376 PolarHBondContact O-N 2.84Å; K376-L378 PolarHBondContact O-N 2.88Å
377A72.3Confident66.7Low23 Ų2371.8 Ų71.819%0.1939%0.394CS..Hα-helixtrans-68.2-26.9-176.400000112.6L373 L374 V413 V416 V425L373-A377 WeakPolarHBondContact O-CB 3.24Å; L374-A377 WeakPolarHBondContact O-CB 3.5Å; L374-A377 PolarHBondContact O-N 3.16Å; A377-V413 HydrophobicContact CB-CG1 4.1Å; A377-V413 HydrophobicContact CB-CG2 3.94Å; A377-V416 HydrophobicContact CB-CG2 3.87Å; A377-V425 HydrophobicContact CB-CG1 4.25Å; A377-V425 HydrophobicContact CB-CG2 4.45Å
378L75.9Confident66.7Low9 Ų974.2 Ų74.25%0.04741%0.407CS..SBendtrans-102.3136.1-176.9-62.4174.7000110.5L374 K376 N380 V383 V416 A423 V425 I448 A451L374-L378 PolarHBondContact O-N 3.07Å; K376-L378 PolarHBondContact O-N 2.88Å; L378-N380 PolarHBondContact O-N 3.19Å; L378-N380 VanDerWaalsContact O-N 3.16Å; L378-V383 HydrophobicContact CD1-CB 4.39Å; L378-V383 HydrophobicContact CD1-CG1 4.16Å; L378-V383 HydrophobicContact CD1-CG2 3.86Å; L378-V416 HydrophobicContact CD2-CG1 3.97Å; L378-A423 HydrophobicContact CD2-CB 3.5Å; L378-A423 VanDerWaalsContact CD2-CB 3.5Å; L378-V425 HydrophobicContact CD2-CG2 4.3Å; L378-I448 HydrophobicContact CD1-CD1 3.68Å; L378-A451 HydrophobicContact CD1-CB 4.15Å
379P66.7Low67.2Low92 Ų9274.5 Ų74.560%0.59741%0.41SS*.SBendtrans-65.8-18.6-178.823.6-31.7000113.8F454P379-F454 HydrophobicContact CG-CB 3.71Å; P379-F454 HydrophobicContact CG-CD2 3.86Å; P379-F454 HydrophobicContact CG-CG 3.97Å
380N62.9Low68.2Low105 Ų10573.3 Ų73.356%0.56140%0.396SS*.  trans-107.9116.7179-66.3-24000110.1L378 Q382 V383L378-N380 PolarHBondContact O-N 3.19Å; L378-N380 VanDerWaalsContact O-N 3.16Å; N380-Q382 VanDerWaalsContact C-N 3.29Å; N380-Q382 PolarHBondContact O-N 3.33Å; N380-V383 VanDerWaalsContact O-CG2 3.24Å; N380-V383 WeakPolarHBondContact O-CG2 3.3Å
381S56.3Low69.7Low106 Ų10673 Ų7374%0.74140%0.397SS*.SBendtrans-76.1-10.4179.453.40000114.6V383S381-V383 VanDerWaalsContact C-N 3.28Å; S381-V383 PolarHBondContact O-N 3.39Å
382Q56Low71.4Confident192 Ų19268 Ų6890%0.89737%0.37SS*.  trans-9237.9179.2-63.6-167-1.700113.1N380N380-Q382 VanDerWaalsContact C-N 3.29Å; N380-Q382 PolarHBondContact O-N 3.33Å
383V59.9Low73.3Confident22 Ų2262.9 Ų62.913%0.13335%0.347CS..  trans-81.7121.6177.7171.80000108.9L378 N380 S381 F385 I448 A451L378-V383 HydrophobicContact CD1-CB 4.39Å; L378-V383 HydrophobicContact CD1-CG1 4.16Å; L378-V383 HydrophobicContact CD1-CG2 3.86Å; N380-V383 VanDerWaalsContact O-CG2 3.24Å; N380-V383 WeakPolarHBondContact O-CG2 3.3Å; S381-V383 VanDerWaalsContact C-N 3.28Å; S381-V383 PolarHBondContact O-N 3.39Å; V383-F385 HydrophobicContact CB-CE1 4.41Å; V383-F385 HydrophobicContact CB-CE2 4.49Å; V383-F385 HydrophobicContact CB-CZ 4.21Å; V383-F385 HydrophobicContact CG1-CD1 4.19Å; V383-F385 HydrophobicContact CG1-CE1 3.98Å; V383-F385 HydrophobicContact CG1-CZ 4.27Å; V383-F385 VanDerWaalsContact O-CD2 3.24Å; V383-F385 WeakPolarHBondContact O-CD2 3.23Å; V383-F385 WeakPolarHBondContact O-CE2 3.5Å; V383-F385 PolarHBondContact O-N 2.95Å; V383-F385 VanDerWaalsContact O-N 3.15Å; V383-I448 HydrophobicContact CG1-CG2 3.45Å; V383-I448 VanDerWaalsContact CG1-CG2 3.45Å; V383-A451 HydrophobicContact CG1-CB 3.96Å; V383-A451 HydrophobicContact CG2-CB 4.05Å
384D66.6Low74.8Confident106 Ų10663.9 Ų63.957%0.56735%0.351SS*.  trans-71104.8172.5179.16.2000109.7S386D384-S386 PolarHBondContact O-N 2.87Å; D384-S386 WeakPolarHBondContact OD1-CB 3.45Å; D384-S386 PolarHBondContact OD1-N 3.27Å; D384-S386 PolarHBondContact OD1-OG 3.45Å; D384-S386 PolarHBondContact OD2-OG 3.17Å
385F66.8Low76.2Confident64 Ų6463.1 Ų63.128%0.28135%0.347SS..G310 helixtrans-77.94.9-179.9-68.7-66000113.7L374 V383 N387 I388 I448L374-F385 HydrophobicContact CB-CE1 3.82Å; L374-F385 HydrophobicContact CB-CZ 4.26Å; L374-F385 HydrophobicContact CD1-CE1 4.42Å; V383-F385 HydrophobicContact CB-CE1 4.41Å; V383-F385 HydrophobicContact CB-CE2 4.49Å; V383-F385 HydrophobicContact CB-CZ 4.21Å; V383-F385 HydrophobicContact CG1-CD1 4.19Å; V383-F385 HydrophobicContact CG1-CE1 3.98Å; V383-F385 HydrophobicContact CG1-CZ 4.27Å; V383-F385 VanDerWaalsContact O-CD2 3.24Å; V383-F385 WeakPolarHBondContact O-CD2 3.23Å; V383-F385 WeakPolarHBondContact O-CE2 3.5Å; V383-F385 PolarHBondContact O-N 2.95Å; V383-F385 VanDerWaalsContact O-N 3.15Å; F385-N387 PolarHBondContact O-N 3.49Å; F385-I388 HydrophobicContact CB-CD1 3.9Å; F385-I388 HydrophobicContact CB-CG1 4.43Å; F385-I388 HydrophobicContact CD1-CD1 3.73Å; F385-I388 HydrophobicContact CD1-CG1 4.28Å; F385-I388 HydrophobicContact CG-CD1 4.26Å; F385-I388 WeakPolarHBondContact O-CD1 3.38Å; F385-I388 WeakPolarHBondContact O-CG1 3.12Å; F385-I448 HydrophobicContact CE1-CD1 4.31Å
386S67.6Low77.6Confident78 Ų7863.2 Ų63.255%0.54534%0.343SS..G310 helixtrans-65.5-27.4174.1670000113.1D384D384-S386 PolarHBondContact O-N 2.87Å; D384-S386 WeakPolarHBondContact OD1-CB 3.45Å; D384-S386 PolarHBondContact OD1-N 3.27Å; D384-S386 PolarHBondContact OD1-OG 3.45Å; D384-S386 PolarHBondContact OD2-OG 3.17Å
387N73.6Confident79.1Confident74 Ų7457.5 Ų57.540%0.39632%0.319SS..G310 helixtrans-112.159.7-174.8-69.3-50.2000112.6F385 V449F385-N387 PolarHBondContact O-N 3.49Å; N387-V449 HydrophobicContact CB-CB 4.02Å; N387-V449 HydrophobicContact CB-CG2 4.29Å; N387-V449 PolarHBondContact O-N 2.92Å
388I80.8Confident80.2Confident65 Ų6559.2 Ų59.233%0.33333%0.327SS..EExtended strand (participates in β ladder)trans-97.5130.4174.9-63.5174.8000110.3L374 F385 T446 I448L374-I388 HydrophobicContact CD1-CD1 4.19Å; F385-I388 HydrophobicContact CB-CD1 3.9Å; F385-I388 HydrophobicContact CB-CG1 4.43Å; F385-I388 HydrophobicContact CD1-CD1 3.73Å; F385-I388 HydrophobicContact CD1-CG1 4.28Å; F385-I388 HydrophobicContact CG-CD1 4.26Å; F385-I388 WeakPolarHBondContact O-CD1 3.38Å; F385-I388 WeakPolarHBondContact O-CG1 3.12Å; I388-T446 HydrophobicContact CG2-CG2 3.19Å; I388-I448 HydrophobicContact CG1-CG1 4.39Å
389L85.8Confident81Confident96 Ų9661.3 Ų61.350%0.50334%0.338SS..EExtended strand (participates in β ladder)trans-113.7128.9173.8-57.1177.1000110.6G391 T446 F447 V449L389-G391 PolarHBondContact O-N 3.02Å; L389-T446 WeakPolarHBondContact O-CA 3.3Å; L389-F447 HydrophobicContact CB-CB 4.32Å; L389-F447 HydrophobicContact CD1-CD1 4.28Å; L389-F447 PolarHBondContact N-O 3.23Å; L389-F447 PolarHBondContact O-N 2.93Å; L389-V449 HydrophobicContact CD1-CG2 4.24Å; L389-V449 HydrophobicContact CG-CG2 4.48Å
390H89Confident82.1Confident52 Ų5261.9 Ų61.924%0.24134%0.336CS..EExtended strand (participates in β ladder)trans-76.7100.7168.4-161.182.1000108.8Q393 F549H390-Q393 PolarHBondContact CE1-OE1 3.2Å; H390-Q393 VanDerWaalsContact CE1-OE1 3.31Å; H390-Q393 PolarHBondContact NE2-OE1 2.84Å; H390-F549 AromaticContact CD2-CD2 3.68Å; H390-F549 AromaticContact CD2-CE2 3.37Å; H390-F549 WeakPolarHBondContact CD2-CE2 3.15Å; H390-F549 AromaticContact NE2-CE2 3.98Å; H390-F549 VanDerWaalsContact O-CD2 3.32Å; H390-F549 WeakPolarHBondContact O-CD2 3.24Å
391G92.5Very high83.6Confident17 Ų1759 Ų5918%0.17532%0.32CS..EExtended strand (participates in β ladder)trans-85-48.3-169.300000113.6L389 T445 R548 F549L389-G391 PolarHBondContact O-N 3.02Å; G391-T445 WeakPolarHBondContact CA-O 3.33Å; G391-T445 PolarHBondContact N-O 2.88Å; G391-R548 WeakPolarHBondContact O-CA 3.48Å; G391-F549 PolarHBondContact O-N 3.16Å
392E96.7Very high85.4Confident21 Ų2155.5 Ų55.510%0.09830%0.295CS..EExtended strand (participates in β ladder)trans-139.2151-177.5-50.4-178.5-178.400111.3T445 L467 K546 V547 R548E392-T445 HydrophobicContact CG-CG2 4.36Å; E392-T445 PolarHBondContact N-O 3.01Å; E392-T445 PolarHBondContact O-N 3.26Å; E392-L467 WeakPolarHBondContact OE1-CD1 3.07Å; E392-K546 WeakPolarHBondContact OE2-CE 3.28Å; E392-K546 IonicContact OE2-NZ 3.81Å; E392-K546 PolarHBondContact OE2-NZ 2.75Å; E392-V547 VanDerWaalsContact CA-O 3.22Å; E392-V547 WeakPolarHBondContact CA-O 3.34Å; E392-V547 VanDerWaalsContact CB-O 3.31Å; E392-V547 WeakPolarHBondContact CB-O 3.42Å; E392-R548 HydrophobicContact CG-CB 4.31Å; E392-R548 HydrophobicContact CG-CG 4.49Å; E392-R548 IonicContact OE1-CZ 2.91Å; E392-R548 IonicContact OE1-NE 2.73Å; E392-R548 PolarHBondContact OE1-NE 3.42Å; E392-R548 IonicContact OE1-NH2 3.85Å; E392-R548 PolarHBondContact OE1-NH2 3.24Å
393Q97.8Very high87.3Confident4 Ų449 Ų492%0.01927%0.268CS..EExtended strand (participates in β ladder)trans-132.2131.2172.9-173.666.245.900109.8V360 H390 N442 L520 L523 K546 V547 F549V360-Q393 HydrophobicContact CG1-CG 4.13Å; V360-Q393 HydrophobicContact CG2-CG 4.13Å; H390-Q393 PolarHBondContact CE1-OE1 3.2Å; H390-Q393 VanDerWaalsContact CE1-OE1 3.31Å; H390-Q393 PolarHBondContact NE2-OE1 2.84Å; Q393-N442 PolarHBondContact NE2-OD1 2.86Å; Q393-L520 HydrophobicContact CB-CD2 4.36Å; Q393-L520 HydrophobicContact CG-CD2 4.08Å; Q393-L523 HydrophobicContact CB-CD2 4.4Å; Q393-L523 HydrophobicContact CG-CD2 4.19Å; Q393-K546 CarbonylContact O-C 3.13Å; Q393-K546 VanDerWaalsContact O-CA 3.31Å; Q393-K546 WeakPolarHBondContact O-CA 3.32Å; Q393-V547 HydrophobicContact CB-CG2 4.03Å; Q393-V547 PolarHBondContact N-O 3.16Å; Q393-V547 VanDerWaalsContact N-O 3.08Å; Q393-V547 PolarHBondContact O-N 2.73Å; Q393-F549 HydrophobicContact CB-CE2 3.89Å; Q393-F549 HydrophobicContact CB-CZ 4.2Å
394Y98.3Very high89.1Confident30 Ų3051.2 Ų51.212%0.11829%0.285CS..EExtended strand (participates in β ladder)trans-116.5139.4161.8177-106.5000109.3E396 N442 Q443 V465 A544 V545 K546Y394-E396 HydrophobicContact CE1-CB 3.7Å; Y394-E396 WeakPolarHBondContact OH-CB 3.23Å; Y394-E396 VanDerWaalsContact OH-CD 3.3Å; Y394-E396 PolarHBondContact OH-OE2 3.35Å; Y394-N442 WeakPolarHBondContact O-CA 3.28Å; Y394-N442 PolarHBondContact O-OD1 2.84Å; Y394-Q443 HydrophobicContact CD1-CB 4.25Å; Y394-Q443 PolarHBondContact N-O 3.35Å; Y394-Q443 PolarHBondContact O-N 3.01Å; Y394-V465 HydrophobicContact CD1-CG2 3.86Å; Y394-V465 HydrophobicContact CD2-CB 4.1Å; Y394-V465 HydrophobicContact CD2-CG1 3.67Å; Y394-V465 HydrophobicContact CD2-CG2 4.1Å; Y394-V465 HydrophobicContact CE1-CG2 3.96Å; Y394-V465 HydrophobicContact CE2-CB 4.45Å; Y394-V465 HydrophobicContact CE2-CG1 3.79Å; Y394-V465 HydrophobicContact CE2-CG2 4.19Å; Y394-V465 HydrophobicContact CG-CB 4.13Å; Y394-V465 HydrophobicContact CG-CG1 4.22Å; Y394-V465 HydrophobicContact CG-CG2 3.9Å; Y394-A544 HydrophobicContact CE2-CB 3.89Å; Y394-V545 CarbonylContact C-O 3.53Å; Y394-V545 VanDerWaalsContact CA-O 3.25Å; Y394-V545 WeakPolarHBondContact CA-O 3.23Å; Y394-V545 VanDerWaalsContact CD2-O 3.3Å; Y394-V545 WeakPolarHBondContact CD2-O 3.33Å; Y394-K546 HydrophobicContact CD2-CB 4.12Å; Y394-K546 HydrophobicContact CD2-CD 4.3Å
395L98.5Very high90.4Very high0 Ų047.5 Ų47.50%027%0.272CS..EExtended strand (participates in β ladder)trans-138.2135.6171.6167.979.3000108P356 T357 F359 V360 I397 V440 R441 N442 F542 A544 V545P356-L395 VanDerWaalsContact O-CD2 3.3Å; P356-L395 WeakPolarHBondContact O-CD2 3.26Å; T357-L395 HydrophobicContact CG2-CD2 4.43Å; F359-L395 HydrophobicContact CB-CD1 4.38Å; V360-L395 HydrophobicContact CG2-CB 4.03Å; V360-L395 HydrophobicContact CG2-CD1 4.21Å; V360-L395 HydrophobicContact CG2-CD2 4Å; V360-L395 HydrophobicContact CG2-CG 4.31Å; L395-I397 HydrophobicContact CD1-CD1 4.11Å; L395-I397 HydrophobicContact CD2-CD1 4.18Å; L395-I397 HydrophobicContact CG-CD1 4.12Å; L395-V440 HydrophobicContact CD1-CG1 3.31Å; L395-R441 CarbonylContact C-O 3.57Å; L395-R441 WeakPolarHBondContact CA-O 3.36Å; L395-N442 VanDerWaalsContact CD1-OD1 3.24Å; L395-N442 WeakPolarHBondContact CD1-OD1 3.24Å; L395-F542 HydrophobicContact CD2-CE1 4.24Å; L395-F542 HydrophobicContact CD2-CZ 4.32Å; L395-A544 CarbonylContact O-C 3.53Å; L395-A544 WeakPolarHBondContact O-CA 3.38Å; L395-A544 WeakPolarHBondContact O-CB 3.38Å; L395-V545 HydrophobicContact CB-CG1 3.97Å; L395-V545 HydrophobicContact CD2-CG1 4.46Å; L395-V545 PolarHBondContact N-O 3.34Å; L395-V545 PolarHBondContact O-N 2.71Å
396E98.5Very high91.7Very high41 Ų4146.1 Ų46.119%0.19227%0.268CS..EExtended strand (participates in β ladder)trans-131.2131.8173.3-179.6175.4-171.400110.4Y394 V398 V440 R441 K543 A544Y394-E396 HydrophobicContact CE1-CB 3.7Å; Y394-E396 WeakPolarHBondContact OH-CB 3.23Å; Y394-E396 VanDerWaalsContact OH-CD 3.3Å; Y394-E396 PolarHBondContact OH-OE2 3.35Å; E396-V398 HydrophobicContact CG-CG2 4.44Å; E396-V440 WeakPolarHBondContact O-CA 3.43Å; E396-R441 HydrophobicContact CB-CB 4.34Å; E396-R441 PolarHBondContact N-O 2.87Å; E396-R441 PolarHBondContact O-N 2.9Å; E396-K543 WeakPolarHBondContact CA-O 3.34Å; E396-A544 HydrophobicContact CB-CB 4.16Å; E396-A544 HydrophobicContact CG-CB 4.32Å
397I97.9Very high93Very high11 Ų1142.5 Ų42.56%0.05624%0.243CC..EExtended strand (participates in β ladder)trans-95.6111.6173.3-52.1-48.1000107.3P356 L395 D399 L401 V440 F542 K543P356-I397 HydrophobicContact CB-CD1 4.31Å; P356-I397 HydrophobicContact CB-CG1 4.1Å; L395-I397 HydrophobicContact CD1-CD1 4.11Å; L395-I397 HydrophobicContact CD2-CD1 4.18Å; L395-I397 HydrophobicContact CG-CD1 4.12Å; I397-D399 WeakPolarHBondContact CG2-O 3.38Å; I397-L401 HydrophobicContact CD1-CD1 3.9Å; I397-L401 HydrophobicContact CD1-CD2 4.12Å; I397-L401 HydrophobicContact CD1-CG 4.47Å; I397-L401 HydrophobicContact CG1-CD1 4.03Å; I397-L401 HydrophobicContact CG2-CD1 3.85Å; I397-L401 HydrophobicContact CG2-CD2 3.92Å; I397-L401 HydrophobicContact CG2-CG 3.69Å; I397-V440 HydrophobicContact CD1-CG1 4.4Å; I397-V440 HydrophobicContact CD1-CG2 4.13Å; I397-F542 HydrophobicContact CB-CD1 4.44Å; I397-F542 HydrophobicContact CD1-CE1 4.5Å; I397-F542 HydrophobicContact CG1-CD1 3.59Å; I397-F542 HydrophobicContact CG1-CE1 3.75Å; I397-K543 PolarHBondContact N-O 2.96Å
398V95.5Very high93.9Very high59 Ų5941.9 Ų41.936%0.35824%0.239SC..  trans-85.8-35-175.4-177.20000110.9E396 L438 L439 R441E396-V398 HydrophobicContact CG-CG2 4.44Å; V398-L438 HydrophobicContact CB-CG 4.5Å; V398-L438 HydrophobicContact CG1-CD2 4.43Å; V398-L438 HydrophobicContact CG1-CG 4.49Å; V398-L438 HydrophobicContact CG2-CD2 4.36Å; V398-L438 HydrophobicContact CG2-CG 4.37Å; V398-L439 PolarHBondContact N-O 3.17Å; V398-R441 HydrophobicContact CG2-CG 3.92Å
399D92.8Very high94.5Very high53 Ų5338.9 Ų38.928%0.28322%0.224SC..SBendtrans-146.2177.7-178.1-159.21.8000111I397 R437 L439I397-D399 WeakPolarHBondContact CG2-O 3.38Å; D399-R437 IonicContact OD1-NH1 3.49Å; D399-R437 VanDerWaalsContact OD2-CD 3.24Å; D399-R437 WeakPolarHBondContact OD2-CD 3.34Å; D399-R437 IonicContact OD2-CZ 3.56Å; D399-R437 IonicContact OD2-NE 3.27Å; D399-R437 IonicContact OD2-NH1 2.77Å; D399-R437 PolarHBondContact OD2-NH1 3.44Å; D399-L439 HydrophobicContact CB-CD2 4.05Å
400D91.2Very high94.6Very high104 Ų10436.8 Ų36.856%0.55621%0.213SC*.PPolyproline II helixtrans-58.2136-177.8-70.9-25.7000112.8
401L93.7Very high94.6Very high44 Ų4434.6 Ų34.623%0.2321%0.205CC..PPolyproline II helixtrans-90.1127.8-174-67170.8000111.6P356 F359 I397 V440P356-L401 HydrophobicContact CB-CD1 4.38Å; F359-L401 HydrophobicContact CD1-CD2 4.25Å; F359-L401 HydrophobicContact CD2-CD1 3.71Å; F359-L401 HydrophobicContact CD2-CD2 3.72Å; F359-L401 HydrophobicContact CD2-CG 4.2Å; F359-L401 HydrophobicContact CE1-CD2 4.21Å; F359-L401 HydrophobicContact CE2-CB 3.82Å; F359-L401 HydrophobicContact CE2-CD1 3.6Å; F359-L401 HydrophobicContact CE2-CD2 3.67Å; F359-L401 HydrophobicContact CE2-CG 3.88Å; F359-L401 HydrophobicContact CG-CD2 4.02Å; F359-L401 HydrophobicContact CZ-CB 4Å; F359-L401 HydrophobicContact CZ-CD2 3.92Å; F359-L401 HydrophobicContact CZ-CG 4.36Å; I397-L401 HydrophobicContact CD1-CD1 3.9Å; I397-L401 HydrophobicContact CD1-CD2 4.12Å; I397-L401 HydrophobicContact CD1-CG 4.47Å; I397-L401 HydrophobicContact CG1-CD1 4.03Å; I397-L401 HydrophobicContact CG2-CD1 3.85Å; I397-L401 HydrophobicContact CG2-CD2 3.92Å; I397-L401 HydrophobicContact CG2-CG 3.69Å; L401-V440 HydrophobicContact CD2-CG2 3.77Å
402P93.8Very high94.3Very high33 Ų3339.1 Ų39.121%0.21422%0.22CC..PPolyproline II helixtrans-72.5154.4175.722.6-23.8000111.8F320 L407 L439F320-P402 WeakPolarHBondContact CE2-O 3.5Å; F320-P402 HydrophobicContact CZ-CB 4.35Å; F320-P402 HydrophobicContact CZ-CG 4.02Å; F320-P402 WeakPolarHBondContact CZ-O 3.27Å; P402-L407 HydrophobicContact CG-CD2 4.47Å; P402-L439 HydrophobicContact CG-CD1 3.8Å
403T96.4Very high93.9Very high54 Ų5440.2 Ų40.233%0.33123%0.228SC..SBendtrans-93.6-8.1174.650.50000113.4N321 L325 F352N321-T403 CarbonylContact C-O 3.41Å; L325-T403 VanDerWaalsContact CD1-O 3.25Å; L325-T403 WeakPolarHBondContact CD1-O 3.49Å; F352-T403 HydrophobicContact CD1-CG2 3.77Å; F352-T403 HydrophobicContact CE1-CG2 3.94Å
404S96.7Very high93.6Very high70 Ų7042.6 Ų42.649%0.4924%0.238SC..SBendtrans-161.5156.6172.460.10000110.6F320F320-S404 CarbonylContact O-C 3.53Å; F320-S404 WeakPolarHBondContact O-CA 3.47Å
405G94.2Very high93.3Very high28 Ų2841.5 Ų41.529%0.28923%0.234SC..EExtended strand (participates in β ladder)trans142.7-168.3170.400000112.4F320F320-G405 VanDerWaalsContact CD1-O 3.31Å; F320-G405 WeakPolarHBondContact CD1-O 3.23Å; F320-G405 PolarHBondContact N-O 3.37Å; F320-G405 PolarHBondContact O-N 3.17Å
406T94.6Very high92.9Very high34 Ų3442.9 Ų42.921%0.20924%0.243CC..EExtended strand (participates in β ladder)trans-106.9125.8175.1-44.80000109.4A317 E319 E434A317-T406 HydrophobicContact CB-CG2 3.87Å; E319-T406 HydrophobicContact CG-CG2 3.9Å; T406-E434 VanDerWaalsContact CB-OE1 3.28Å; T406-E434 WeakPolarHBondContact CB-OE1 3.47Å; T406-E434 PolarHBondContact OG1-OE1 2.87Å
407L95.2Very high92.7Very high2 Ų241.2 Ų41.21%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-100.8125169.6-60.9-175.9000110.6A317 F318 F320 F359 P362 P402 F432 L439A317-L407 CarbonylContact C-O 3.59Å; A317-L407 WeakPolarHBondContact CA-O 3.18Å; F318-L407 PolarHBondContact N-O 2.86Å; F318-L407 PolarHBondContact O-N 3.06Å; F320-L407 HydrophobicContact CD1-CG 4.47Å; F320-L407 HydrophobicContact CE1-CD1 4.13Å; F320-L407 HydrophobicContact CE1-CD2 4.36Å; F320-L407 HydrophobicContact CE1-CG 3.87Å; F359-L407 HydrophobicContact CD1-CD1 3.65Å; F359-L407 HydrophobicContact CE1-CD1 3.77Å; P362-L407 HydrophobicContact CG-CD1 4.12Å; P402-L407 HydrophobicContact CG-CD2 4.47Å; L407-F432 CarbonylContact C-O 3.47Å; L407-F432 VanDerWaalsContact CA-O 3.27Å; L407-F432 WeakPolarHBondContact CA-O 3.35Å; L407-L439 HydrophobicContact CD2-CD1 3.86Å
408L92.3Very high92.5Very high61 Ų6141.4 Ų41.432%0.31924%0.236SC..EExtended strand (participates in β ladder)trans-85.4117.4167.6-167.264.1000108.4E315 S431 F432E315-L408 VanDerWaalsContact CD-CD1 3.43Å; E315-L408 HydrophobicContact CG-CD1 3.47Å; E315-L408 VanDerWaalsContact CG-CD1 3.47Å; E315-L408 HydrophobicContact CG-CD2 4.43Å; E315-L408 HydrophobicContact CG-CG 3.8Å; E315-L408 WeakPolarHBondContact OE2-CD2 3.38Å; L408-S431 CarbonylContact O-C 3.59Å; L408-S431 WeakPolarHBondContact O-CA 3.28Å; L408-F432 PolarHBondContact N-O 3.36Å; L408-F432 WeakPolarHBondContact O-CD2 3.36Å; L408-F432 PolarHBondContact O-N 3.35Å
409T92.8Very high92.3Very high2 Ų243 Ų431%0.01224%0.238CC..EExtended strand (participates in β ladder)trans-113.1125.3-177.6-57.40000110.6E315 D316 P362 L366 E430 S431E315-T409 VanDerWaalsContact CA-O 3.26Å; E315-T409 WeakPolarHBondContact CA-O 3.19Å; D316-T409 PolarHBondContact N-O 3.09Å; D316-T409 VanDerWaalsContact N-O 3.12Å; D316-T409 PolarHBondContact O-N 2.95Å; P362-T409 HydrophobicContact CB-CG2 4.28Å; P362-T409 VanDerWaalsContact CB-OG1 3.23Å; P362-T409 WeakPolarHBondContact CB-OG1 3.25Å; L366-T409 HydrophobicContact CD2-CG2 3.8Å; L366-T409 WeakPolarHBondContact CD2-O 3.49Å; T409-E430 CarbonylContact C-O 3.52Å; T409-E430 WeakPolarHBondContact CA-O 3.35Å; T409-S431 WeakPolarHBondContact CG2-OG 3.49Å; T409-S431 WeakPolarHBondContact OG1-CB 3.23Å; T409-S431 PolarHBondContact OG1-OG 2.8Å
410N88.8Confident92.2Very high52 Ų5241.9 Ų41.928%0.27824%0.24SC..EExtended strand (participates in β ladder)trans-100.4134.7173.4-69.3-36.1000109.6I314 E315 S429 E430 F432I314-N410 CarbonylContact O-C 3.55Å; I314-N410 WeakPolarHBondContact O-CA 3.48Å; E315-N410 WeakPolarHBondContact CB-OD1 3.38Å; E315-N410 VanDerWaalsContact CG-OD1 3.26Å; E315-N410 WeakPolarHBondContact CG-OD1 3.41Å; E315-N410 PolarHBondContact OE2-OD1 2.8Å; N410-S429 CarbonylContact O-C 3.02Å; N410-S429 WeakPolarHBondContact O-CA 3.48Å; N410-S429 WeakPolarHBondContact O-CB 3.47Å; N410-E430 PolarHBondContact N-O 3.05Å; N410-E430 PolarHBondContact O-N 3.06Å; N410-F432 HydrophobicContact CB-CE2 4.48Å; N410-F432 WeakPolarHBondContact ND2-CE2 3.47Å
411G88.5Confident92.1Very high7 Ų741 Ų417%0.07224%0.242CC..EExtended strand (participates in β ladder)trans-132144-179.100000111.8A313 I314 N428A313-G411 CarbonylContact C-O 3.47Å; A313-G411 VanDerWaalsContact CA-O 3.3Å; A313-G411 WeakPolarHBondContact CA-O 3.29Å; I314-G411 WeakPolarHBondContact CG1-O 3.38Å; I314-G411 PolarHBondContact N-O 3.25Å; I314-G411 PolarHBondContact O-N 3.46Å; G411-N428 CarbonylContact C-O 3.57Å; G411-N428 WeakPolarHBondContact CA-O 3.39Å
412K86.8Confident92Very high111 Ų11138.9 Ų38.948%0.48323%0.231SC..EExtended strand (participates in β ladder)trans-148.1153.9176.264.8-177.1176.6-172.40112F414 T427 N428K412-F414 PolarHBondContact O-N 3Å; K412-T427 CarbonylContact O-C 3.54Å; K412-T427 VanDerWaalsContact O-CA 3.29Å; K412-T427 WeakPolarHBondContact O-CA 3.41Å; K412-N428 HydrophobicContact CG-CB 4.48Å; K412-N428 PolarHBondContact N-O 3.44Å; K412-N428 PolarHBondContact O-N 2.95Å
413V88.4Confident91.8Very high44 Ų4437.3 Ų37.327%0.26722%0.221SC..EExtended strand (participates in β ladder)trans-66123.5163.8-175.10000107.9L373 A377 V416 V425L373-V413 HydrophobicContact CD1-CG2 4.4Å; L373-V413 HydrophobicContact CD2-CG2 3.87Å; L373-V413 HydrophobicContact CG-CG2 3.69Å; L373-V413 VanDerWaalsContact O-CG2 3.27Å; L373-V413 WeakPolarHBondContact O-CG2 3.22Å; A377-V413 HydrophobicContact CB-CG1 4.1Å; A377-V413 HydrophobicContact CB-CG2 3.94Å; V413-V416 HydrophobicContact CG1-CG2 3.72Å; V413-V425 HydrophobicContact CG1-CG1 3.96Å
414F90Very high91.6Very high55 Ų5535.3 Ų35.324%0.24121%0.208CC..EExtended strand (participates in β ladder)trans-97.6-40.3176.6-176.2-100.7000111.4K412 V426 N428 I461 V464K412-F414 PolarHBondContact O-N 3Å; F414-V426 HydrophobicContact CB-CG1 4.3Å; F414-V426 HydrophobicContact CD1-CG1 4.22Å; F414-V426 PolarHBondContact N-O 2.97Å; F414-N428 HydrophobicContact CB-CB 4.29Å; F414-N428 WeakPolarHBondContact CD2-ND2 3.32Å; F414-I461 HydrophobicContact CD1-CD1 4.33Å; F414-I461 HydrophobicContact CD1-CG1 4.45Å; F414-I461 HydrophobicContact CE1-CD1 3.92Å; F414-I461 HydrophobicContact CE1-CG1 3.83Å; F414-I461 HydrophobicContact CZ-CD1 4.2Å; F414-I461 HydrophobicContact CZ-CG1 4.38Å; F414-I461 WeakPolarHBondContact O-CD1 3.47Å; F414-V464 HydrophobicContact CD1-CG2 3.96Å; F414-V464 HydrophobicContact CE1-CG2 3.82Å
415D92.2Very high91.4Very high6 Ų632 Ų323%0.03219%0.185CC..EExtended strand (participates in β ladder)trans-150.5155.2-179.6-157.611.4000113V426 K457 P460 I461 V464D415-V426 HydrophobicContact CB-CB 3.82Å; D415-V426 HydrophobicContact CB-CG2 3.95Å; D415-V426 PolarHBondContact N-O 2.76Å; D415-V426 VanDerWaalsContact N-O 3.08Å; D415-V426 PolarHBondContact O-N 3.19Å; D415-K457 WeakPolarHBondContact OD1-CE 3.49Å; D415-K457 IonicContact OD1-NZ 3.47Å; D415-K457 PolarHBondContact OD1-NZ 3.17Å; D415-P460 WeakPolarHBondContact OD2-CA 3.49Å; D415-I461 HydrophobicContact CB-CD1 4.17Å; D415-I461 HydrophobicContact CB-CG1 4.12Å; D415-I461 PolarHBondContact OD2-N 2.99Å; D415-V464 HydrophobicContact CB-CG2 4.22Å
416V91.6Very high91.3Very high29 Ų2930.6 Ų30.618%0.17617%0.171CC..EExtended strand (participates in β ladder)trans-137.5125.8173.5-173.40000109A377 L378 V413 V424 V425 F454 K457A377-V416 HydrophobicContact CB-CG2 3.87Å; L378-V416 HydrophobicContact CD2-CG1 3.97Å; V413-V416 HydrophobicContact CG1-CG2 3.72Å; V416-V424 CarbonylContact C-O 3.56Å; V416-V424 VanDerWaalsContact CA-O 3.31Å; V416-V424 WeakPolarHBondContact CA-O 3.22Å; V416-V425 HydrophobicContact CG2-CG1 4.47Å; V416-F454 HydrophobicContact CG1-CE2 4.34Å; V416-F454 HydrophobicContact CG1-CZ 3.91Å; V416-K457 WeakPolarHBondContact O-CE 3.17Å
417M93.5Very high91.2Very high7 Ų729.2 Ų29.23%0.03416%0.162CC..EExtended strand (participates in β ladder)trans-125.4145.9179.9-61.7164.5-94.500111.8A423 V424 V426 K457 P460M417-A423 WeakPolarHBondContact O-CA 3.36Å; M417-V424 HydrophobicContact CB-CB 4.22Å; M417-V424 HydrophobicContact CE-CB 3.99Å; M417-V424 HydrophobicContact CE-CG1 3.5Å; M417-V424 PolarHBondContact N-O 2.97Å; M417-V424 PolarHBondContact O-N 3.22Å; M417-V426 HydrophobicContact CE-CG2 3.62Å; M417-K457 CarbonylContact C-O 3.54Å; M417-K457 VanDerWaalsContact CA-O 3.22Å; M417-K457 WeakPolarHBondContact CA-O 3.45Å; M417-K457 WeakPolarHBondContact CB-O 3.28Å; M417-K457 HydrophobicContact CG-CG 4.32Å; M417-P460 HydrophobicContact CE-CB 4.08Å; M417-P460 VanDerWaalsContact SD-CA 3.58Å; M417-P460 HydrophobicContact SD-CB 3.81Å; M417-P460 HydrophobicContact SD-CG 4.43Å
418D92.9Very high91.2Very high14 Ų1430.9 Ų30.98%0.07517%0.171CC..EExtended strand (participates in β ladder)trans-95.8115.4171.1-170.6-16.2000109.8G420 G452 K453 F454 G455 K457D418-G420 WeakPolarHBondContact OD1-CA 3.44Å; D418-G420 PolarHBondContact OD1-N 3.31Å; D418-G452 WeakPolarHBondContact OD1-CA 3.23Å; D418-K453 VanDerWaalsContact CG-N 3.27Å; D418-K453 PolarHBondContact OD1-N 3.39Å; D418-K453 VanDerWaalsContact OD2-C 3.3Å; D418-K453 WeakPolarHBondContact OD2-CA 3.49Å; D418-K453 PolarHBondContact OD2-N 3.08Å; D418-F454 HydrophobicContact CB-CD1 4.05Å; D418-F454 HydrophobicContact CB-CE1 3.55Å; D418-F454 HydrophobicContact CB-CE2 4.21Å; D418-F454 HydrophobicContact CB-CZ 3.64Å; D418-F454 PolarHBondContact OD2-N 2.8Å; D418-G455 PolarHBondContact OD2-N 2.98Å; D418-K457 PolarHBondContact N-O 2.89Å
419K92.6Very high91.2Very high92 Ų9228.3 Ų28.340%0.416%0.159SC..  trans-103.113.1177.6-61.4-62.3-173.2177.30112.5S421 G422 V424 F447 K458K419-S421 PolarHBondContact O-N 3.27Å; K419-G422 PolarHBondContact N-O 3.49Å; K419-V424 HydrophobicContact CD-CG2 4.43Å; K419-V424 HydrophobicContact CG-CG2 3.57Å; K419-F447 HydrophobicContact CB-CE2 4.03Å; K419-F447 HydrophobicContact CG-CE2 4.34Å; K419-K458 WeakPolarHBondContact CE-O 3.37Å; K419-K458 PolarHBondContact NZ-O 3.3Å
420G90.1Very high91.4Very high31 Ų3131.5 Ų31.532%0.3217%0.173SC..SBendtrans76.6-53.1178.400000114D418 K453D418-G420 WeakPolarHBondContact OD1-CA 3.44Å; D418-G420 PolarHBondContact OD1-N 3.31Å; G420-K453 WeakPolarHBondContact O-CG 3.31Å
421S89.9Confident91.7Very high85 Ų8529 Ų2959%0.59416%0.16SC*.SBendtrans-83.1-14174.657.90000113.6K419 G450K419-S421 PolarHBondContact O-N 3.27Å; S421-G450 WeakPolarHBondContact O-CA 3.48Å; S421-G450 PolarHBondContact O-N 3Å
422G89.9Confident91.9Very high0 Ų030.6 Ų30.60%017%0.165CC..EExtended strand (participates in β ladder)trans-170.6176.9-17800000111.7K419 I448 G452K419-G422 PolarHBondContact N-O 3.49Å; G422-I448 CarbonylContact C-O 3.17Å; G422-I448 WeakPolarHBondContact CA-O 3.27Å; G422-G452 VanDerWaalsContact C-CA 3.45Å; G422-G452 WeakPolarHBondContact O-CA 3.38Å
423A91.2Very high92Very high0 Ų026.5 Ų26.50%015%0.148CC..EExtended strand (participates in β ladder)trans-102.1146.1171.900000110.5L378 M417 F447 I448 A451 F454L378-A423 HydrophobicContact CD2-CB 3.5Å; L378-A423 VanDerWaalsContact CD2-CB 3.5Å; M417-A423 WeakPolarHBondContact O-CA 3.36Å; A423-F447 CarbonylContact O-C 3.51Å; A423-F447 WeakPolarHBondContact O-CA 3.45Å; A423-I448 PolarHBondContact N-O 3.05Å; A423-I448 PolarHBondContact O-N 3.02Å; A423-A451 HydrophobicContact CB-CB 3.84Å; A423-A451 WeakPolarHBondContact CB-O 3.37Å; A423-F454 HydrophobicContact CB-CE1 3.83Å
424V92.4Very high91.8Very high11 Ų1131.7 Ų31.77%0.06717%0.17CC..EExtended strand (participates in β ladder)trans-108.7124.2167.1175.70000108.3V416 M417 K419 V426 T445 T446 F447V416-V424 CarbonylContact C-O 3.56Å; V416-V424 VanDerWaalsContact CA-O 3.31Å; V416-V424 WeakPolarHBondContact CA-O 3.22Å; M417-V424 HydrophobicContact CB-CB 4.22Å; M417-V424 HydrophobicContact CE-CB 3.99Å; M417-V424 HydrophobicContact CE-CG1 3.5Å; M417-V424 PolarHBondContact N-O 2.97Å; M417-V424 PolarHBondContact O-N 3.22Å; K419-V424 HydrophobicContact CD-CG2 4.43Å; K419-V424 HydrophobicContact CG-CG2 3.57Å; V424-V426 HydrophobicContact CG1-CG2 4.26Å; V424-T445 HydrophobicContact CG1-CG2 3.25Å; V424-T446 CarbonylContact C-O 3.34Å; V424-T446 WeakPolarHBondContact CA-O 3.48Å; V424-F447 HydrophobicContact CG2-CD2 3.66Å; V424-F447 HydrophobicContact CG2-CE2 4.3Å
425V91.2Very high91.2Very high0 Ų033.7 Ų33.70%019%0.191CC..EExtended strand (participates in β ladder)trans-109.4122.1170.5-174.10000108.3L374 A377 L378 V413 V416 T427 T446 I448L374-V425 HydrophobicContact CD2-CB 3.87Å; L374-V425 HydrophobicContact CD2-CG1 3.86Å; L374-V425 HydrophobicContact CD2-CG2 4.07Å; A377-V425 HydrophobicContact CB-CG1 4.25Å; A377-V425 HydrophobicContact CB-CG2 4.45Å; L378-V425 HydrophobicContact CD2-CG2 4.3Å; V413-V425 HydrophobicContact CG1-CG1 3.96Å; V416-V425 HydrophobicContact CG2-CG1 4.47Å; V425-T427 HydrophobicContact CG1-CG2 4.02Å; V425-T446 PolarHBondContact N-O 3.15Å; V425-T446 PolarHBondContact O-N 2.71Å; V425-I448 HydrophobicContact CG2-CD1 4.02Å
426V93.3Very high90.7Very high0 Ų035.9 Ų35.90%021%0.214CC..EExtended strand (participates in β ladder)trans-98.2128.2172.6-174.70000107.6F414 D415 M417 V424 Q443 S444 V464F414-V426 HydrophobicContact CB-CG1 4.3Å; F414-V426 HydrophobicContact CD1-CG1 4.22Å; F414-V426 PolarHBondContact N-O 2.97Å; D415-V426 HydrophobicContact CB-CB 3.82Å; D415-V426 HydrophobicContact CB-CG2 3.95Å; D415-V426 PolarHBondContact N-O 2.76Å; D415-V426 VanDerWaalsContact N-O 3.08Å; D415-V426 PolarHBondContact O-N 3.19Å; M417-V426 HydrophobicContact CE-CG2 3.62Å; V424-V426 HydrophobicContact CG1-CG2 4.26Å; V426-Q443 HydrophobicContact CG1-CG 3.49Å; V426-Q443 VanDerWaalsContact CG1-CG 3.49Å; V426-S444 WeakPolarHBondContact CA-O 3.32Å; V426-V464 HydrophobicContact CG1-CG2 4.31Å; V426-V464 HydrophobicContact CG2-CG1 4.49Å; V426-V464 HydrophobicContact CG2-CG2 4.27Å
427T92.2Very high90.3Very high5 Ų539.3 Ų39.33%0.03122%0.224CC..EExtended strand (participates in β ladder)trans-121.3139.3177.878.90000109.4Q367 L373 K412 V425 Q443 S444Q367-T427 HydrophobicContact CG-CG2 4.48Å; Q367-T427 PolarHBondContact OE1-OG1 3.19Å; L373-T427 HydrophobicContact CD2-CG2 3.31Å; K412-T427 CarbonylContact O-C 3.54Å; K412-T427 VanDerWaalsContact O-CA 3.29Å; K412-T427 WeakPolarHBondContact O-CA 3.41Å; V425-T427 HydrophobicContact CG1-CG2 4.02Å; T427-Q443 CarbonylContact O-C 3.57Å; T427-Q443 VanDerWaalsContact O-CA 3.23Å; T427-Q443 WeakPolarHBondContact O-CA 3.39Å; T427-S444 PolarHBondContact N-O 3.16Å; T427-S444 PolarHBondContact O-N 2.93Å; T427-S444 PolarHBondContact OG1-OG 2.83Å
428N93.7Very high90.3Very high36 Ų3640.4 Ų40.419%0.19323%0.23CC..EExtended strand (participates in β ladder)trans-105.9144.7170.8-74.15.9000108.7G411 K412 F414 N442 Q443G411-N428 CarbonylContact C-O 3.57Å; G411-N428 WeakPolarHBondContact CA-O 3.39Å; K412-N428 HydrophobicContact CG-CB 4.48Å; K412-N428 PolarHBondContact N-O 3.44Å; K412-N428 PolarHBondContact O-N 2.95Å; F414-N428 HydrophobicContact CB-CB 4.29Å; F414-N428 WeakPolarHBondContact CD2-ND2 3.32Å; N428-N442 CarbonylContact C-O 3.54Å; N428-N442 WeakPolarHBondContact CA-O 3.32Å; N428-Q443 WeakPolarHBondContact OD1-CB 3.1Å; N428-Q443 VanDerWaalsContact OD1-CG 3.26Å; N428-Q443 WeakPolarHBondContact OD1-CG 3.22Å; N428-Q443 PolarHBondContact OD1-NE2 3.12Å
429S94.2Very high90.4Very high8 Ų839.8 Ų39.86%0.05623%0.226CC..EExtended strand (participates in β ladder)trans-137.2149.8164.645.70000112.4G363 N410 R441 N442G363-S429 VanDerWaalsContact CA-OG 3.23Å; G363-S429 WeakPolarHBondContact CA-OG 3.4Å; N410-S429 CarbonylContact O-C 3.02Å; N410-S429 WeakPolarHBondContact O-CA 3.48Å; N410-S429 WeakPolarHBondContact O-CB 3.47Å; S429-R441 WeakPolarHBondContact O-CA 3.41Å; S429-N442 PolarHBondContact N-O 3.45Å; S429-N442 PolarHBondContact O-N 3.28Å; S429-N442 WeakPolarHBondContact OG-CB 3.38Å
430E95.4Very high90.7Very high68 Ų6835.4 Ų35.432%0.31821%0.207SC..EExtended strand (participates in β ladder)trans-127.9129.8178.4-65.4-166.6135.300108.8T409 N410 F432 L438 V440 R441T409-E430 CarbonylContact C-O 3.52Å; T409-E430 WeakPolarHBondContact CA-O 3.35Å; N410-E430 PolarHBondContact N-O 3.05Å; N410-E430 PolarHBondContact O-N 3.06Å; E430-F432 HydrophobicContact CB-CE2 3.76Å; E430-F432 HydrophobicContact CB-CZ 3.96Å; E430-L438 HydrophobicContact CB-CD1 3.77Å; E430-L438 HydrophobicContact CG-CD1 4.28Å; E430-V440 WeakPolarHBondContact CA-O 3.26Å; E430-R441 HydrophobicContact CG-CG 4.21Å; E430-R441 IonicContact OE1-CZ 3.81Å; E430-R441 IonicContact OE1-NE 3.05Å; E430-R441 PolarHBondContact OE1-NE 3.06Å; E430-R441 IonicContact OE1-NH2 2.82Å
431S96.1Very high91Very high0 Ų038.4 Ų38.40%021%0.209CC..EExtended strand (participates in β ladder)trans-112.5131.1-179.7-56.60000111.2L408 T409 L439 V440L408-S431 CarbonylContact O-C 3.59Å; L408-S431 WeakPolarHBondContact O-CA 3.28Å; T409-S431 WeakPolarHBondContact CG2-OG 3.49Å; T409-S431 WeakPolarHBondContact OG1-CB 3.23Å; T409-S431 PolarHBondContact OG1-OG 2.8Å; S431-L439 PolarHBondContact O-N 3.08Å; S431-V440 PolarHBondContact N-O 3.12Å; S431-V440 PolarHBondContact O-N 3.15Å
432F93Very high91.3Very high40 Ų4034.6 Ų34.618%0.17518%0.182CC..EExtended strand (participates in β ladder)trans-116.8146.3-176.5-55-96.8000110.4L407 L408 N410 E430 G436 R437 L438L407-F432 CarbonylContact C-O 3.47Å; L407-F432 VanDerWaalsContact CA-O 3.27Å; L407-F432 WeakPolarHBondContact CA-O 3.35Å; L408-F432 PolarHBondContact N-O 3.36Å; L408-F432 WeakPolarHBondContact O-CD2 3.36Å; L408-F432 PolarHBondContact O-N 3.35Å; N410-F432 HydrophobicContact CB-CE2 4.48Å; N410-F432 WeakPolarHBondContact ND2-CE2 3.47Å; E430-F432 HydrophobicContact CB-CE2 3.76Å; E430-F432 HydrophobicContact CB-CZ 3.96Å; F432-G436 WeakPolarHBondContact CD1-O 3.24Å; F432-R437 VanDerWaalsContact CA-O 3.22Å; F432-R437 WeakPolarHBondContact CA-O 3.39Å; F432-L438 HydrophobicContact CD1-CB 4.01Å; F432-L438 HydrophobicContact CD1-CD1 4.33Å; F432-L438 HydrophobicContact CE1-CB 3.82Å; F432-L438 HydrophobicContact CE1-CD1 3.93Å; F432-L438 HydrophobicContact CE1-CG 4.41Å; F432-L438 HydrophobicContact CE2-CD1 4.45Å; F432-L438 HydrophobicContact CZ-CD1 3.99Å
433D87.3Confident91.6Very high25 Ų2534.9 Ų34.913%0.13418%0.183CC..  trans-76.4176.3167.966.125.2000112.2S435 G436 R437 L439D433-S435 PolarHBondContact O-N 2.91Å; D433-S435 VanDerWaalsContact O-N 3.08Å; D433-S435 WeakPolarHBondContact OD1-CA 3.26Å; D433-S435 WeakPolarHBondContact OD1-CB 3.47Å; D433-S435 PolarHBondContact OD1-N 2.87Å; D433-S435 PolarHBondContact OD1-OG 2.96Å; D433-G436 PolarHBondContact O-N 3.4Å; D433-G436 PolarHBondContact OD1-N 2.88Å; D433-R437 PolarHBondContact N-O 3.38Å; D433-R437 WeakPolarHBondContact OD1-CB 3.43Å; D433-R437 PolarHBondContact OD1-N 2.95Å; D433-R437 VanDerWaalsContact OD1-N 3.07Å; D433-R437 IonicContact OD2-CZ 3.58Å; D433-R437 IonicContact OD2-NE 3.45Å; D433-R437 PolarHBondContact OD2-NE 3.34Å; D433-R437 IonicContact OD2-NH2 2.72Å; D433-R437 PolarHBondContact OD2-NH2 2.89Å; D433-L439 HydrophobicContact CB-CD1 3.95Å; D433-L439 HydrophobicContact CB-CG 4.47Å
434E84.3Confident91.8Very high154 Ų15435.2 Ų35.272%0.7219%0.186SC*.THydrogen-bonded Turntrans-62.7-14.4-179.9-61.2-179.1142.600113.6T406T406-E434 VanDerWaalsContact CB-OE1 3.28Å; T406-E434 WeakPolarHBondContact CB-OE1 3.47Å; T406-E434 PolarHBondContact OG1-OE1 2.87Å
435S78.7Confident91.9Very high97 Ų9735.1 Ų35.168%0.67819%0.185SC*.THydrogen-bonded Turntrans-90.6-3.8173.977.50000113.6D433D433-S435 PolarHBondContact O-N 2.91Å; D433-S435 VanDerWaalsContact O-N 3.08Å; D433-S435 WeakPolarHBondContact OD1-CA 3.26Å; D433-S435 WeakPolarHBondContact OD1-CB 3.47Å; D433-S435 PolarHBondContact OD1-N 2.87Å; D433-S435 PolarHBondContact OD1-OG 2.96Å
436G81Confident91.9Very high51 Ų5135.3 Ų35.353%0.52619%0.186SC..  trans8512.2-178.100000114.2F432 D433F432-G436 WeakPolarHBondContact CD1-O 3.24Å; D433-G436 PolarHBondContact O-N 3.4Å; D433-G436 PolarHBondContact OD1-N 2.88Å
437R84Confident91.7Very high101 Ų10137.5 Ų37.538%0.38120%0.196SC..  trans-83.2131.2179.3-178.2176.860.8138-5.3110.7D399 F432 D433 L439D399-R437 IonicContact OD1-NH1 3.49Å; D399-R437 VanDerWaalsContact OD2-CD 3.24Å; D399-R437 WeakPolarHBondContact OD2-CD 3.34Å; D399-R437 IonicContact OD2-CZ 3.56Å; D399-R437 IonicContact OD2-NE 3.27Å; D399-R437 IonicContact OD2-NH1 2.77Å; D399-R437 PolarHBondContact OD2-NH1 3.44Å; F432-R437 VanDerWaalsContact CA-O 3.22Å; F432-R437 WeakPolarHBondContact CA-O 3.39Å; D433-R437 PolarHBondContact N-O 3.38Å; D433-R437 WeakPolarHBondContact OD1-CB 3.43Å; D433-R437 PolarHBondContact OD1-N 2.95Å; D433-R437 VanDerWaalsContact OD1-N 3.07Å; D433-R437 IonicContact OD2-CZ 3.58Å; D433-R437 IonicContact OD2-NE 3.45Å; D433-R437 PolarHBondContact OD2-NE 3.34Å; D433-R437 IonicContact OD2-NH2 2.72Å; D433-R437 PolarHBondContact OD2-NH2 2.89Å; R437-L439 HydrophobicContact CG-CD2 4.28Å; R437-L439 PolarHBondContact O-N 2.88Å
438L92Very high91.6Very high31 Ų3137.2 Ų37.216%0.16219%0.194CC..EExtended strand (participates in β ladder)trans-72.7122.5178.3176.863000111.1V398 E430 F432 R441V398-L438 HydrophobicContact CB-CG 4.5Å; V398-L438 HydrophobicContact CG1-CD2 4.43Å; V398-L438 HydrophobicContact CG1-CG 4.49Å; V398-L438 HydrophobicContact CG2-CD2 4.36Å; V398-L438 HydrophobicContact CG2-CG 4.37Å; E430-L438 HydrophobicContact CB-CD1 3.77Å; E430-L438 HydrophobicContact CG-CD1 4.28Å; F432-L438 HydrophobicContact CD1-CB 4.01Å; F432-L438 HydrophobicContact CD1-CD1 4.33Å; F432-L438 HydrophobicContact CE1-CB 3.82Å; F432-L438 HydrophobicContact CE1-CD1 3.93Å; F432-L438 HydrophobicContact CE1-CG 4.41Å; F432-L438 HydrophobicContact CE2-CD1 4.45Å; F432-L438 HydrophobicContact CZ-CD1 3.99Å; L438-R441 HydrophobicContact CD2-CG 4.43Å; L438-R441 VanDerWaalsContact CD2-CZ 3.48Å
439L95.9Very high91.2Very high0 Ų038.7 Ų38.70%021%0.205CC..EExtended strand (participates in β ladder)trans-108.7-38.7-179.1-57.8-175.1000112.8V398 D399 P402 L407 S431 D433 R437V398-L439 PolarHBondContact N-O 3.17Å; D399-L439 HydrophobicContact CB-CD2 4.05Å; P402-L439 HydrophobicContact CG-CD1 3.8Å; L407-L439 HydrophobicContact CD2-CD1 3.86Å; S431-L439 PolarHBondContact O-N 3.08Å; D433-L439 HydrophobicContact CB-CD1 3.95Å; D433-L439 HydrophobicContact CB-CG 4.47Å; R437-L439 HydrophobicContact CG-CD2 4.28Å; R437-L439 PolarHBondContact O-N 2.88Å
440V98Very high90.9Very high0 Ų041.4 Ų41.40%023%0.233CC..EExtended strand (participates in β ladder)trans-139.5135.9-166.4-176.90000111F359 L395 E396 I397 L401 E430 S431 N442F359-V440 HydrophobicContact CB-CG1 4.07Å; F359-V440 HydrophobicContact CB-CG2 3.82Å; F359-V440 HydrophobicContact CD1-CG2 4.22Å; F359-V440 HydrophobicContact CG-CG2 4.1Å; L395-V440 HydrophobicContact CD1-CG1 3.31Å; E396-V440 WeakPolarHBondContact O-CA 3.43Å; I397-V440 HydrophobicContact CD1-CG1 4.4Å; I397-V440 HydrophobicContact CD1-CG2 4.13Å; L401-V440 HydrophobicContact CD2-CG2 3.77Å; E430-V440 WeakPolarHBondContact CA-O 3.26Å; S431-V440 PolarHBondContact N-O 3.12Å; S431-V440 PolarHBondContact O-N 3.15Å; V440-N442 WeakPolarHBondContact CG1-ND2 3.26Å
441R97.8Very high90.5Very high95 Ų9538.9 Ų38.936%0.35822%0.224SC..EExtended strand (participates in β ladder)trans-114133.7164.9-61.6-168.5173.2103.11110.2L395 E396 V398 S429 E430 L438L395-R441 CarbonylContact C-O 3.57Å; L395-R441 WeakPolarHBondContact CA-O 3.36Å; E396-R441 HydrophobicContact CB-CB 4.34Å; E396-R441 PolarHBondContact N-O 2.87Å; E396-R441 PolarHBondContact O-N 2.9Å; V398-R441 HydrophobicContact CG2-CG 3.92Å; S429-R441 WeakPolarHBondContact O-CA 3.41Å; E430-R441 HydrophobicContact CG-CG 4.21Å; E430-R441 IonicContact OE1-CZ 3.81Å; E430-R441 IonicContact OE1-NE 3.05Å; E430-R441 PolarHBondContact OE1-NE 3.06Å; E430-R441 IonicContact OE1-NH2 2.82Å; L438-R441 HydrophobicContact CD2-CG 4.43Å; L438-R441 VanDerWaalsContact CD2-CZ 3.48Å
442N96.5Very high90.1Very high5 Ų539.4 Ų39.43%0.02723%0.23CC..EExtended strand (participates in β ladder)trans-121.7143.5174.9-82.4-71.3000109.6F359 Q393 Y394 L395 N428 S429 V440F359-N442 PolarHBondContact O-ND2 3.32Å; Q393-N442 PolarHBondContact NE2-OD1 2.86Å; Y394-N442 WeakPolarHBondContact O-CA 3.28Å; Y394-N442 PolarHBondContact O-OD1 2.84Å; L395-N442 VanDerWaalsContact CD1-OD1 3.24Å; L395-N442 WeakPolarHBondContact CD1-OD1 3.24Å; N428-N442 CarbonylContact C-O 3.54Å; N428-N442 WeakPolarHBondContact CA-O 3.32Å; S429-N442 PolarHBondContact N-O 3.45Å; S429-N442 PolarHBondContact O-N 3.28Å; S429-N442 WeakPolarHBondContact OG-CB 3.38Å; V440-N442 WeakPolarHBondContact CG1-ND2 3.26Å
443Q96.6Very high89.9Confident5 Ų546.1 Ų46.12%0.02326%0.259CS..EExtended strand (participates in β ladder)trans-134.8117.6164.9175.7179.893.300109.2Y394 V426 T427 N428 G463Y394-Q443 HydrophobicContact CD1-CB 4.25Å; Y394-Q443 PolarHBondContact N-O 3.35Å; Y394-Q443 PolarHBondContact O-N 3.01Å; V426-Q443 HydrophobicContact CG1-CG 3.49Å; V426-Q443 VanDerWaalsContact CG1-CG 3.49Å; T427-Q443 CarbonylContact O-C 3.57Å; T427-Q443 VanDerWaalsContact O-CA 3.23Å; T427-Q443 WeakPolarHBondContact O-CA 3.39Å; N428-Q443 WeakPolarHBondContact OD1-CB 3.1Å; N428-Q443 VanDerWaalsContact OD1-CG 3.26Å; N428-Q443 WeakPolarHBondContact OD1-CG 3.22Å; N428-Q443 PolarHBondContact OD1-NE2 3.12Å; Q443-G463 PolarHBondContact NE2-O 3.03Å
444S94.9Very high90Very high7 Ų747.5 Ų47.55%0.04926%0.264CS..EExtended strand (participates in β ladder)trans-105.6152.6176.9700000110.2Q367 V426 T427Q367-S444 PolarHBondContact OE1-OG 2.78Å; V426-S444 WeakPolarHBondContact CA-O 3.32Å; T427-S444 PolarHBondContact N-O 3.16Å; T427-S444 PolarHBondContact O-N 2.93Å; T427-S444 PolarHBondContact OG1-OG 2.83Å
445T94Very high90.1Very high9 Ų943.7 Ų43.76%0.05527%0.266CS..EExtended strand (participates in β ladder)trans-123.4120.4172.5-61.10000108.7G391 E392 V424G391-T445 WeakPolarHBondContact CA-O 3.33Å; G391-T445 PolarHBondContact N-O 2.88Å; E392-T445 HydrophobicContact CG-CG2 4.36Å; E392-T445 PolarHBondContact N-O 3.01Å; E392-T445 PolarHBondContact O-N 3.26Å; V424-T445 HydrophobicContact CG1-CG2 3.25Å
446T90.9Very high90.5Very high4 Ų440.4 Ų40.43%0.02525%0.247CC..EExtended strand (participates in β ladder)trans-110.8122.6-179.2-60.10000109.2Q367 I388 L389 V424 V425 I448Q367-T446 PolarHBondContact NE2-OG1 3.06Å; I388-T446 HydrophobicContact CG2-CG2 3.19Å; L389-T446 WeakPolarHBondContact O-CA 3.3Å; V424-T446 CarbonylContact C-O 3.34Å; V424-T446 WeakPolarHBondContact CA-O 3.48Å; V425-T446 PolarHBondContact N-O 3.15Å; V425-T446 PolarHBondContact O-N 2.71Å; T446-I448 HydrophobicContact CG2-CG1 4.16Å
447F90.3Very high91.1Very high46 Ų4642.4 Ų42.420%0.20224%0.241CC..EExtended strand (participates in β ladder)trans-98.9122.5174.2-175-96.5000109.5L389 K419 A423 V424 V449L389-F447 HydrophobicContact CB-CB 4.32Å; L389-F447 HydrophobicContact CD1-CD1 4.28Å; L389-F447 PolarHBondContact N-O 3.23Å; L389-F447 PolarHBondContact O-N 2.93Å; K419-F447 HydrophobicContact CB-CE2 4.03Å; K419-F447 HydrophobicContact CG-CE2 4.34Å; A423-F447 CarbonylContact O-C 3.51Å; A423-F447 WeakPolarHBondContact O-CA 3.45Å; V424-F447 HydrophobicContact CG2-CD2 3.66Å; V424-F447 HydrophobicContact CG2-CE2 4.3Å; F447-V449 HydrophobicContact CD1-CG2 3.93Å; F447-V449 HydrophobicContact CE1-CB 4.42Å; F447-V449 HydrophobicContact CE1-CG2 3.85Å
448I88.3Confident91.4Very high0 Ų044.9 Ų44.90%026%0.255CS..EExtended strand (participates in β ladder)trans-108.9108-179.1-53.1164.1000107.5L374 L378 V383 F385 I388 G422 A423 V425 T446 A451L374-I448 HydrophobicContact CD2-CD1 4.31Å; L378-I448 HydrophobicContact CD1-CD1 3.68Å; V383-I448 HydrophobicContact CG1-CG2 3.45Å; V383-I448 VanDerWaalsContact CG1-CG2 3.45Å; F385-I448 HydrophobicContact CE1-CD1 4.31Å; I388-I448 HydrophobicContact CG1-CG1 4.39Å; G422-I448 CarbonylContact C-O 3.17Å; G422-I448 WeakPolarHBondContact CA-O 3.27Å; A423-I448 PolarHBondContact N-O 3.05Å; A423-I448 PolarHBondContact O-N 3.02Å; V425-I448 HydrophobicContact CG2-CD1 4.02Å; T446-I448 HydrophobicContact CG2-CG1 4.16Å; I448-A451 HydrophobicContact CB-CB 4Å; I448-A451 HydrophobicContact CG2-CB 3.81Å; I448-A451 PolarHBondContact O-N 3.43Å
449V86.2Confident91.5Very high67 Ų6749.2 Ų49.241%0.40628%0.278SS..EExtended strand (participates in β ladder)trans-64.5136.5-175.6-176.70000109.4N387 L389 F447 A451N387-V449 HydrophobicContact CB-CB 4.02Å; N387-V449 HydrophobicContact CB-CG2 4.29Å; N387-V449 PolarHBondContact O-N 2.92Å; L389-V449 HydrophobicContact CD1-CG2 4.24Å; L389-V449 HydrophobicContact CG-CG2 4.48Å; F447-V449 HydrophobicContact CD1-CG2 3.93Å; F447-V449 HydrophobicContact CE1-CB 4.42Å; F447-V449 HydrophobicContact CE1-CG2 3.85Å; V449-A451 PolarHBondContact O-N 2.99Å
450G87Confident91.4Very high64 Ų6452.4 Ų52.466%0.6630%0.299SS*.THydrogen-bonded Turntrans80.7-15.4178.300000115.2S421 G452S421-G450 WeakPolarHBondContact O-CA 3.48Å; S421-G450 PolarHBondContact O-N 3Å; G450-G452 PolarHBondContact O-N 3.33Å
451A87.5Confident91.1Very high15 Ų1555.5 Ų55.512%0.12432%0.315CS..  trans-80.311.9179.800000114.8L378 V383 A423 I448 V449 F454L378-A451 HydrophobicContact CD1-CB 4.15Å; V383-A451 HydrophobicContact CG1-CB 3.96Å; V383-A451 HydrophobicContact CG2-CB 4.05Å; A423-A451 HydrophobicContact CB-CB 3.84Å; A423-A451 WeakPolarHBondContact CB-O 3.37Å; I448-A451 HydrophobicContact CB-CB 4Å; I448-A451 HydrophobicContact CG2-CB 3.81Å; I448-A451 PolarHBondContact O-N 3.43Å; V449-A451 PolarHBondContact O-N 2.99Å; A451-F454 VanDerWaalsContact O-CD1 3.31Å; A451-F454 WeakPolarHBondContact O-CD1 3.45Å
452G88.5Confident90.8Very high12 Ų1255.6 Ų55.612%0.12434%0.336CS..  trans-82-169.717900000113.3D418 G422 G450 F454D418-G452 WeakPolarHBondContact OD1-CA 3.23Å; G422-G452 VanDerWaalsContact C-CA 3.45Å; G422-G452 WeakPolarHBondContact O-CA 3.38Å; G450-G452 PolarHBondContact O-N 3.33Å; G452-F454 VanDerWaalsContact C-N 3.28Å; G452-F454 PolarHBondContact O-N 2.86Å
453K88.5Confident90.6Very high180 Ų18057.8 Ų57.878%0.78336%0.359SS*.  trans62.527.3177.6-46.8-178.6-177.1171.90114.8D418 G420 G455D418-K453 VanDerWaalsContact CG-N 3.27Å; D418-K453 PolarHBondContact OD1-N 3.39Å; D418-K453 VanDerWaalsContact OD2-C 3.3Å; D418-K453 WeakPolarHBondContact OD2-CA 3.49Å; D418-K453 PolarHBondContact OD2-N 3.08Å; G420-K453 WeakPolarHBondContact O-CG 3.31Å; K453-G455 VanDerWaalsContact C-N 3.35Å
454F88.5Confident90.6Very high55 Ų5558.7 Ų58.724%0.24137%0.365CS..SBendtrans-91.62.917464.1-88.7000113P379 V416 D418 A423 A451 G452P379-F454 HydrophobicContact CG-CB 3.71Å; P379-F454 HydrophobicContact CG-CD2 3.86Å; P379-F454 HydrophobicContact CG-CG 3.97Å; V416-F454 HydrophobicContact CG1-CE2 4.34Å; V416-F454 HydrophobicContact CG1-CZ 3.91Å; D418-F454 HydrophobicContact CB-CD1 4.05Å; D418-F454 HydrophobicContact CB-CE1 3.55Å; D418-F454 HydrophobicContact CB-CE2 4.21Å; D418-F454 HydrophobicContact CB-CZ 3.64Å; D418-F454 PolarHBondContact OD2-N 2.8Å; A423-F454 HydrophobicContact CB-CE1 3.83Å; A451-F454 VanDerWaalsContact O-CD1 3.31Å; A451-F454 WeakPolarHBondContact O-CD1 3.45Å; G452-F454 VanDerWaalsContact C-N 3.28Å; G452-F454 PolarHBondContact O-N 2.86Å
455G87.4Confident90.7Very high73 Ų7359.7 Ų59.775%0.75337%0.371SS*.  trans81.116.5176.100000113.9D418 K453D418-G455 PolarHBondContact OD2-N 2.98Å; K453-G455 VanDerWaalsContact C-N 3.35Å
456G87Confident90.8Very high28 Ų2863.7 Ų63.729%0.28940%0.397SS..  trans-70.4169.6175.500000113.3
457K92.8Very high91.1Very high94 Ų9465.9 Ų65.941%0.40941%0.408SS..  trans-63.5149.4172.766.3-170.9174.2-136.10111.2D415 V416 M417 D418 I461D415-K457 WeakPolarHBondContact OD1-CE 3.49Å; D415-K457 IonicContact OD1-NZ 3.47Å; D415-K457 PolarHBondContact OD1-NZ 3.17Å; V416-K457 WeakPolarHBondContact O-CE 3.17Å; M417-K457 CarbonylContact C-O 3.54Å; M417-K457 VanDerWaalsContact CA-O 3.22Å; M417-K457 WeakPolarHBondContact CA-O 3.45Å; M417-K457 WeakPolarHBondContact CB-O 3.28Å; M417-K457 HydrophobicContact CG-CG 4.32Å; D418-K457 PolarHBondContact N-O 2.89Å; K457-I461 HydrophobicContact CD-CG2 4.06Å
458K91.6Very high91.4Very high153 Ų15366.2 Ų66.267%0.66541%0.411SS*.SBendtrans-90-33.9178.4-65-174.3180179.60112.8K419K419-K458 WeakPolarHBondContact CE-O 3.37Å; K419-K458 PolarHBondContact NZ-O 3.3Å
459D93.1Very high91.6Very high122 Ų12271.1 Ų71.165%0.65244%0.442SS*.SBendtrans-100146.4-173.9-59.8-53.6000111.1
460P93.4Very high91.8Very high66 Ų6669.8 Ų69.843%0.42944%0.438SS..PPolyproline II helixtrans-68.4149.1179.928.3-34.2000111.4D415 M417 V464D415-P460 WeakPolarHBondContact OD2-CA 3.49Å; M417-P460 HydrophobicContact CE-CB 4.08Å; M417-P460 VanDerWaalsContact SD-CA 3.58Å; M417-P460 HydrophobicContact SD-CB 3.81Å; M417-P460 HydrophobicContact SD-CG 4.43Å; P460-V464 HydrophobicContact CB-CB 3.78Å; P460-V464 HydrophobicContact CB-CG1 4.02Å; P460-V464 HydrophobicContact CB-CG2 3.72Å
461I92.3Very high92.2Very high65 Ų6568 Ų6833%0.33342%0.415SS..PPolyproline II helixtrans-70.6163.9170.766.3-178000111.9F414 D415 K457 G463 V464F414-I461 HydrophobicContact CD1-CD1 4.33Å; F414-I461 HydrophobicContact CD1-CG1 4.45Å; F414-I461 HydrophobicContact CE1-CD1 3.92Å; F414-I461 HydrophobicContact CE1-CG1 3.83Å; F414-I461 HydrophobicContact CZ-CD1 4.2Å; F414-I461 HydrophobicContact CZ-CG1 4.38Å; F414-I461 WeakPolarHBondContact O-CD1 3.47Å; D415-I461 HydrophobicContact CB-CD1 4.17Å; D415-I461 HydrophobicContact CB-CG1 4.12Å; D415-I461 PolarHBondContact OD2-N 2.99Å; K457-I461 HydrophobicContact CD-CG2 4.06Å; I461-G463 PolarHBondContact O-N 3.22Å; I461-V464 HydrophobicContact CG1-CG2 4.39Å; I461-V464 PolarHBondContact O-N 3.4Å
462A92.3Very high92.5Very high97 Ų9775.6 Ų75.680%0.80245%0.454SS*.THydrogen-bonded Turntrans-56.5135.817100000110.9
463G92.3Very high92.9Very high51 Ų5180.2 Ų80.253%0.52647%0.467SS..THydrogen-bonded Turntrans99.1-10.1-177.400000114.9Q443 I461 V465Q443-G463 PolarHBondContact NE2-O 3.03Å; I461-G463 PolarHBondContact O-N 3.22Å; G463-V465 PolarHBondContact O-N 2.88Å
464V95.5Very high93.3Very high24 Ų2479.2 Ų79.215%0.14547%0.466CS..SBendtrans-70.7120.1161.5-179.10000108.2F414 D415 V426 P460 I461 P466F414-V464 HydrophobicContact CD1-CG2 3.96Å; F414-V464 HydrophobicContact CE1-CG2 3.82Å; D415-V464 HydrophobicContact CB-CG2 4.22Å; V426-V464 HydrophobicContact CG1-CG2 4.31Å; V426-V464 HydrophobicContact CG2-CG1 4.49Å; V426-V464 HydrophobicContact CG2-CG2 4.27Å; P460-V464 HydrophobicContact CB-CB 3.78Å; P460-V464 HydrophobicContact CB-CG1 4.02Å; P460-V464 HydrophobicContact CB-CG2 3.72Å; I461-V464 HydrophobicContact CG1-CG2 4.39Å; I461-V464 PolarHBondContact O-N 3.4Å; V464-P466 WeakPolarHBondContact O-CD 3.32Å
465V96.7Very high93.7Very high28 Ų2878 Ų7817%0.1746%0.463CS..PPolyproline II helixtrans-69.9121.7-174.3-177.90000109.7Y394 G463 K546 Y588Y394-V465 HydrophobicContact CD1-CG2 3.86Å; Y394-V465 HydrophobicContact CD2-CB 4.1Å; Y394-V465 HydrophobicContact CD2-CG1 3.67Å; Y394-V465 HydrophobicContact CD2-CG2 4.1Å; Y394-V465 HydrophobicContact CE1-CG2 3.96Å; Y394-V465 HydrophobicContact CE2-CB 4.45Å; Y394-V465 HydrophobicContact CE2-CG1 3.79Å; Y394-V465 HydrophobicContact CE2-CG2 4.19Å; Y394-V465 HydrophobicContact CG-CB 4.13Å; Y394-V465 HydrophobicContact CG-CG1 4.22Å; Y394-V465 HydrophobicContact CG-CG2 3.9Å; G463-V465 PolarHBondContact O-N 2.88Å; V465-K546 HydrophobicContact CB-CD 4.28Å; V465-K546 HydrophobicContact CG1-CD 4.14Å; V465-K546 HydrophobicContact CG1-CG 4.43Å; V465-K546 WeakPolarHBondContact O-CE 3.44Å; V465-K546 PolarHBondContact O-NZ 3.13Å; V465-Y588 WeakPolarHBondContact CG1-OH 3.48Å
466P96.8Very high94.2Very high93 Ų9377.1 Ų77.160%0.60444%0.441SS*.PPolyproline II helixtrans-75.6149.1-173.530.5-35.5000112.4V464 Y588V464-P466 WeakPolarHBondContact O-CD 3.32Å; P466-Y588 WeakPolarHBondContact O-CE1 3.39Å; P466-Y588 PolarHBondContact O-OH 3.2Å
467L97Very high94.7Very high50 Ų5076.4 Ų76.426%0.26243%0.433SS..PPolyproline II helixtrans-72.3160.8165.3-66.2165.7000110.7E392 K546 R548 G586E392-L467 WeakPolarHBondContact OE1-CD1 3.07Å; L467-K546 HydrophobicContact CD2-CG 3.97Å; L467-R548 HydrophobicContact CD1-CB 3.82Å; L467-R548 HydrophobicContact CD1-CG 4.49Å; L467-R548 HydrophobicContact CD2-CB 3.82Å; L467-G586 VanDerWaalsContact CD2-O 3.3Å; L467-G586 WeakPolarHBondContact CD2-O 3.33Å
468Q96.1Very high95Very high53 Ų5375.3 Ų75.325%0.24843%0.434CS..  trans-132.5124.1174.1-168.9178.6-2.700110.6N571 G586 Y588Q468-N571 PolarHBondContact OE1-ND2 3.03Å; Q468-G586 PolarHBondContact N-O 2.86Å; Q468-G586 CarbonylContact O-C 3.57Å; Q468-G586 WeakPolarHBondContact O-CA 3.43Å; Q468-Y588 HydrophobicContact CB-CD1 3.71Å; Q468-Y588 HydrophobicContact CB-CE1 3.97Å
469P93.7Very high95.3Very high103 Ų10369.5 Ų69.567%0.66941%0.411SS*.PPolyproline II helixtrans-62.2150.1178.527-34.4000111.2
470A90.9Very high95.5Very high39 Ų3969 Ų6932%0.32241%0.405SS..PPolyproline II helixtrans-61.4142.4173.200000110.1W564A470-W564 HydrophobicContact CB-CE3 4.37Å; A470-W564 HydrophobicContact CB-CH2 4.11Å; A470-W564 HydrophobicContact CB-CZ2 4.47Å; A470-W564 HydrophobicContact CB-CZ3 4.05Å
471P94.4Very high95.7Very high26 Ų2668 Ų6817%0.16939%0.393CS..PPolyproline II helixtrans-56.6142.8175.9-28.838.5000112.7R473 W564 N571P471-R473 HydrophobicContact CB-CG 3.95Å; P471-R473 PolarHBondContact O-N 3.46Å; P471-W564 HydrophobicContact CB-CG 4.2Å; P471-W564 HydrophobicContact CG-CB 3.73Å; P471-W564 HydrophobicContact CG-CG 3.83Å; P471-N571 HydrophobicContact CG-CB 4.49Å
472N93.9Very high96Very high175 Ų17569.4 Ų69.494%0.93641%0.405SS*.SBendtrans-79.858175.9-166.925.3000111.6
473R96.6Very high96.3Very high109 Ų10965 Ų6541%0.41137%0.368SS..SBendtrans-152171175.863.3174-177.884.6-9.1110.1P471 D476 W564 K565P471-R473 HydrophobicContact CB-CG 3.95Å; P471-R473 PolarHBondContact O-N 3.46Å; R473-D476 IonicContact CZ-OD1 2.72Å; R473-D476 IonicContact CZ-OD2 3.38Å; R473-D476 IonicContact NH1-OD1 2.73Å; R473-D476 PolarHBondContact NH1-OD1 3.11Å; R473-D476 IonicContact NH1-OD2 3.84Å; R473-D476 PolarHBondContact NH1-OD2 3.32Å; R473-D476 VanDerWaalsContact NH1-OD2 3.16Å; R473-D476 IonicContact NH2-OD1 2.58Å; R473-D476 PolarHBondContact NH2-OD1 3.4Å; R473-D476 IonicContact NH2-OD2 2.65Å; R473-D476 PolarHBondContact NH2-OD2 3.05Å; R473-W564 PolarHBondContact O-NE1 2.9Å; R473-K565 PolarHBondContact NH2-O 2.98Å; R473-K565 VanDerWaalsContact NH2-O 3.16Å
474Q97.1Very high96.5Very high159 Ų15965.3 Ų65.374%0.74336%0.362SS*.  trans-62.4146.8175.4-67-61.8-12.100111.9W564Q474-W564 VanDerWaalsContact C-NE1 3.33Å; Q474-W564 PolarHBondContact O-NE1 3.16Å
475P97.7Very high96.6Very high29 Ų2972.1 Ų72.119%0.18839%0.392CS..  trans-58.6144.9173.1-15.927.6000111.4A477 D562 L563 W564P475-A477 VanDerWaalsContact C-N 3.33Å; P475-D562 HydrophobicContact CB-CB 4.05Å; P475-D562 HydrophobicContact CG-CB 3.73Å; P475-L563 CarbonylContact C-O 3.57Å; P475-L563 WeakPolarHBondContact CA-O 3.18Å; P475-W564 HydrophobicContact CB-CD2 4.44Å; P475-W564 HydrophobicContact CB-CZ2 4.12Å; P475-W564 HydrophobicContact CG-CH2 4.12Å; P475-W564 HydrophobicContact CG-CZ2 3.6Å
476D97.8Very high96.6Very high55 Ų5576.4 Ų76.429%0.29441%0.414SS..SBendtrans-76.1-26.9172.1-59-55.1000111.6R473 L563 W564 K565 L598R473-D476 IonicContact CZ-OD1 2.72Å; R473-D476 IonicContact CZ-OD2 3.38Å; R473-D476 IonicContact NH1-OD1 2.73Å; R473-D476 PolarHBondContact NH1-OD1 3.11Å; R473-D476 IonicContact NH1-OD2 3.84Å; R473-D476 PolarHBondContact NH1-OD2 3.32Å; R473-D476 VanDerWaalsContact NH1-OD2 3.16Å; R473-D476 IonicContact NH2-OD1 2.58Å; R473-D476 PolarHBondContact NH2-OD1 3.4Å; R473-D476 IonicContact NH2-OD2 2.65Å; R473-D476 PolarHBondContact NH2-OD2 3.05Å; D476-L563 PolarHBondContact N-O 2.95Å; D476-W564 VanDerWaalsContact OD2-CA 3.29Å; D476-W564 WeakPolarHBondContact OD2-CA 3.3Å; D476-K565 PolarHBondContact OD2-N 2.91Å; D476-L598 HydrophobicContact CB-CD1 3.98Å
477A97.7Very high96.6Very high13 Ų1372.6 Ų72.611%0.10739%0.389CS..EExtended strand (participates in β ladder)trans-149.5151.5173.100000110.6P475 Q533 F534 L563P475-A477 VanDerWaalsContact C-N 3.33Å; A477-Q533 HydrophobicContact CB-CG 3.68Å; A477-F534 HydrophobicContact CB-CZ 4.31Å; A477-L563 HydrophobicContact CB-CB 4.38Å; A477-L563 HydrophobicContact CB-CD1 4.3Å; A477-L563 PolarHBondContact N-O 3.16Å; A477-L563 WeakPolarHBondContact O-CB 3.4Å; A477-L563 PolarHBondContact O-N 3.07Å
478T98.3Very high96.7Very high72 Ų7270.4 Ų70.444%0.44238%0.378SS..EExtended strand (participates in β ladder)trans-133126.8172.3-70.90000108.5R560 V561 D562T478-R560 HydrophobicContact CG2-CG 3.38Å; T478-V561 WeakPolarHBondContact CA-O 3.48Å; T478-D562 WeakPolarHBondContact CG2-OD1 3.4Å; T478-D562 PolarHBondContact OG1-OD1 3.42Å
479V97.6Very high96.7Very high30 Ų3069.5 Ų69.518%0.18238%0.379CS..EExtended strand (participates in β ladder)trans-119.5144.5179.8-175.30000108.9Y481 A529 R560 V561 L563V479-Y481 HydrophobicContact CG1-CD2 4.36Å; V479-Y481 HydrophobicContact CG1-CE1 4.38Å; V479-Y481 HydrophobicContact CG1-CE2 3.64Å; V479-A529 HydrophobicContact CB-CB 4.07Å; V479-A529 HydrophobicContact CG1-CB 4.35Å; V479-A529 HydrophobicContact CG2-CB 4.26Å; V479-R560 CarbonylContact O-C 3.55Å; V479-R560 WeakPolarHBondContact O-CA 3.35Å; V479-V561 PolarHBondContact N-O 3.23Å; V479-V561 PolarHBondContact O-N 3.06Å; V479-L563 HydrophobicContact CG2-CD1 4.23Å
480Q98Very high96.9Very high111 Ų11167.6 Ų67.652%0.51936%0.363SS..EExtended strand (participates in β ladder)trans-123.3142.1177.1-66.4-172.221.100112.2T558 L559 R560Q480-T558 HydrophobicContact CB-CG2 4.24Å; Q480-L559 CarbonylContact C-O 3.57Å; Q480-L559 VanDerWaalsContact CA-O 3.23Å; Q480-L559 WeakPolarHBondContact CA-O 3.01Å; Q480-R560 HydrophobicContact CG-CB 4.06Å; Q480-R560 HydrophobicContact CG-CG 3.92Å
481Y97.2Very high97.2Very high45 Ų4565.9 Ų65.918%0.17635%0.348CS..EExtended strand (participates in β ladder)trans-135.1124.3172.5-59.2-77000110V479 F525 A529 T558 L559V479-Y481 HydrophobicContact CG1-CD2 4.36Å; V479-Y481 HydrophobicContact CG1-CE1 4.38Å; V479-Y481 HydrophobicContact CG1-CE2 3.64Å; Y481-F525 HydrophobicContact CD1-CD1 4.22Å; Y481-F525 HydrophobicContact CD1-CE1 4.47Å; Y481-F525 HydrophobicContact CD2-CB 4.41Å; Y481-F525 AromaticContact CD2-CD1 3.87Å; Y481-F525 HydrophobicContact CD2-CD1 3.87Å; Y481-F525 AromaticContact CG-CD1 3.64Å; Y481-F525 HydrophobicContact CG-CD1 3.64Å; Y481-F525 HydrophobicContact CG-CE1 4.14Å; Y481-A529 HydrophobicContact CE2-CB 3.98Å; Y481-T558 CarbonylContact O-C 3.35Å; Y481-T558 WeakPolarHBondContact O-CA 3.4Å; Y481-L559 PolarHBondContact N-O 3.47Å; Y481-L559 PolarHBondContact O-N 3.35Å
482T98Very high97.3Very high96 Ų9667.4 Ų67.459%0.58935%0.35SS*.EExtended strand (participates in β ladder)trans-86.3121.1167.6-54.60000108.7T558T482-T558 PolarHBondContact OG1-OG1 2.89Å
483T98Very high97.4Very high5 Ų564.2 Ų64.23%0.03133%0.333CS..PPolyproline II helixtrans-73.5150.8176.660.20000110.3Q487 L517 F525 G556 Q557 L559T483-Q487 HydrophobicContact CG2-CG 4.5Å; T483-L517 HydrophobicContact CG2-CD2 3.98Å; T483-F525 HydrophobicContact CG2-CE2 4.11Å; T483-F525 HydrophobicContact CG2-CZ 4.12Å; T483-G556 WeakPolarHBondContact O-CA 3.34Å; T483-G556 PolarHBondContact O-N 3.4Å; T483-G556 PolarHBondContact OG1-N 3.05Å; T483-Q557 PolarHBondContact N-O 3.48Å; T483-Q557 PolarHBondContact OG1-N 3.39Å; T483-Q557 PolarHBondContact OG1-O 2.73Å; T483-L559 HydrophobicContact CG2-CD1 3.92Å; T483-L559 HydrophobicContact CG2-CG 4.13Å
484S97Very high97.3Very high57 Ų5759.5 Ų59.540%0.39932%0.317SS..PPolyproline II helixtrans-68.5153.4169.1-177.70000111D486 Q487 P555 G556S484-D486 PolarHBondContact O-N 3.38Å; S484-D486 PolarHBondContact OG-N 2.95Å; S484-D486 VanDerWaalsContact OG-N 3.17Å; S484-Q487 WeakPolarHBondContact O-CB 3.48Å; S484-Q487 PolarHBondContact O-N 3.28Å; S484-Q487 VanDerWaalsContact O-N 3.09Å; S484-P555 WeakPolarHBondContact O-CB 3.48Å; S484-G556 PolarHBondContact O-N 3.48Å; S484-G556 VanDerWaalsContact O-N 3.13Å
485E97.1Very high96.8Very high166 Ų16652.9 Ų52.978%0.77629%0.291SS*.THydrogen-bonded Turntrans-58.9-31.2166.4-65.3-171162.600110.9Q487 P555E485-Q487 VanDerWaalsContact C-N 3.35Å; E485-P555 VanDerWaalsContact O-CB 3.23Å; E485-P555 WeakPolarHBondContact O-CB 3.47Å
486D97.1Very high96.3Very high118 Ų11852.2 Ų52.263%0.63129%0.286SS*.THydrogen-bonded Turntrans-89.97.1177.7-60.4-49000113.5S484 A488 A489 L490S484-D486 PolarHBondContact O-N 3.38Å; S484-D486 PolarHBondContact OG-N 2.95Å; S484-D486 VanDerWaalsContact OG-N 3.17Å; D486-A488 VanDerWaalsContact C-N 3.33Å; D486-A488 PolarHBondContact O-N 2.89Å; D486-A489 WeakPolarHBondContact O-CB 3.42Å; D486-A489 PolarHBondContact O-N 3.27Å; D486-L490 PolarHBondContact O-N 3.42Å
487Q98.1Very high95.9Very high14 Ų1456.6 Ų56.67%0.06530%0.302CS..Hα-helixtrans-59.5-41.5-169.2-1667152.200112.8L330 G331 T483 S484 E485 A489 L490 Y491 L517 F525L330-Q487 PolarHBondContact O-NE2 2.83Å; G331-Q487 VanDerWaalsContact C-NE2 3.32Å; G331-Q487 PolarHBondContact O-NE2 3.2Å; T483-Q487 HydrophobicContact CG2-CG 4.5Å; S484-Q487 WeakPolarHBondContact O-CB 3.48Å; S484-Q487 PolarHBondContact O-N 3.28Å; S484-Q487 VanDerWaalsContact O-N 3.09Å; E485-Q487 VanDerWaalsContact C-N 3.35Å; Q487-A489 VanDerWaalsContact C-N 3.32Å; Q487-A489 PolarHBondContact O-N 3.01Å; Q487-L490 PolarHBondContact O-N 3.4Å; Q487-Y491 WeakPolarHBondContact O-CB 3.23Å; Q487-Y491 PolarHBondContact O-N 2.68Å; Q487-L517 HydrophobicContact CB-CD1 3.86Å; Q487-L517 HydrophobicContact CG-CD1 3.8Å; Q487-F525 HydrophobicContact CG-CE2 4.15Å; Q487-F525 HydrophobicContact CG-CZ 4.38Å
488A97.4Very high95.4Very high4 Ų458.8 Ų58.83%0.03331%0.312CS..Hα-helixtrans-66-35.9177.800000112D486 L490 R492 H501 L517 P555D486-A488 VanDerWaalsContact C-N 3.33Å; D486-A488 PolarHBondContact O-N 2.89Å; A488-L490 VanDerWaalsContact C-N 3.35Å; A488-R492 WeakPolarHBondContact O-CG 3.41Å; A488-R492 PolarHBondContact O-N 3.2Å; A488-R492 VanDerWaalsContact O-N 3.1Å; A488-H501 HydrophobicContact CB-CB 4.46Å; A488-H501 WeakPolarHBondContact CB-O 3.43Å; A488-L517 HydrophobicContact CB-CD1 4.04Å; A488-P555 HydrophobicContact CB-CG 3.95Å
489A97.3Very high95.1Very high33 Ų3358 Ų5827%0.27331%0.309SS..Hα-helixtrans-68.1-34.1177.700000112.3D486 Q487 R492 I502D486-A489 WeakPolarHBondContact O-CB 3.42Å; D486-A489 PolarHBondContact O-N 3.27Å; Q487-A489 VanDerWaalsContact C-N 3.32Å; Q487-A489 PolarHBondContact O-N 3.01Å; A489-R492 WeakPolarHBondContact O-CG 3.48Å; A489-I502 HydrophobicContact CB-CD1 3.67Å
490L97.6Very high94.8Very high63 Ų6358.2 Ų58.233%0.3331%0.308SS..Hα-helixtrans-73.9-50.3172.5-179.259.4000111.5L330 D486 Q487 A488 R492 L493L330-L490 HydrophobicContact CB-CD2 4.12Å; D486-L490 PolarHBondContact O-N 3.42Å; Q487-L490 PolarHBondContact O-N 3.4Å; A488-L490 VanDerWaalsContact C-N 3.35Å; L490-R492 VanDerWaalsContact C-N 3.31Å; L490-R492 PolarHBondContact O-N 3Å; L490-L493 HydrophobicContact CD1-CD1 4.36Å; L490-L493 WeakPolarHBondContact O-CB 3.41Å; L490-L493 PolarHBondContact O-N 3.38Å; L490-L493 VanDerWaalsContact O-N 3.1Å
491Y98.2Very high94.6Very high3 Ų353.7 Ų53.71%0.01229%0.287CS..Hα-helixtrans-59.4-40.1-175.5-178.6-93000112.7Y328 I332 Q487 L493 S494 H518 L520 C521Y328-Y491 HydrophobicContact CD2-CE2 4.08Å; Y328-Y491 AromaticContact CE2-CE2 3.63Å; Y328-Y491 HydrophobicContact CE2-CE2 3.63Å; I332-Y491 HydrophobicContact CG2-CD2 3.71Å; I332-Y491 HydrophobicContact CG2-CE2 3.53Å; Q487-Y491 WeakPolarHBondContact O-CB 3.23Å; Q487-Y491 PolarHBondContact O-N 2.68Å; Y491-L493 PolarHBondContact O-N 2.91Å; Y491-S494 VanDerWaalsContact O-CB 3.24Å; Y491-S494 WeakPolarHBondContact O-CB 3.41Å; Y491-S494 PolarHBondContact O-N 2.79Å; Y491-S494 PolarHBondContact O-OG 2.76Å; Y491-H518 HydrophobicContact CD1-CB 3.75Å; Y491-H518 AromaticContact CD1-CD2 3.84Å; Y491-H518 AromaticContact CD1-CE1 3.86Å; Y491-H518 AromaticContact CD1-CG 3.45Å; Y491-H518 VanDerWaalsContact CD1-CG 3.45Å; Y491-H518 AromaticContact CD1-ND1 3.47Å; Y491-H518 WeakPolarHBondContact CD1-ND1 3.27Å; Y491-H518 HydrophobicContact CE1-CB 3.71Å; Y491-H518 AromaticContact CE1-CD2 3.95Å; Y491-H518 AromaticContact CE1-CG 3.74Å; Y491-L520 HydrophobicContact CE1-CB 4.47Å; Y491-L520 VanDerWaalsContact OH-CB 3.23Å; Y491-L520 WeakPolarHBondContact OH-CB 3.29Å; Y491-C521 HydrophobicContact CD1-CB 3.9Å; Y491-C521 HydrophobicContact CD2-CB 3.55Å; Y491-C521 HydrophobicContact CE1-CB 4.14Å; Y491-C521 HydrophobicContact CE2-CB 3.8Å; Y491-C521 HydrophobicContact CG-CB 3.6Å
492R96Very high94.6Very high58 Ų5855.2 Ų55.222%0.21930%0.297CS..G310 helixtrans-58.4-21.7178.964.8177.5-59.6-75.52114.2A488 A489 L490 S494 G495 D496A488-R492 WeakPolarHBondContact O-CG 3.41Å; A488-R492 PolarHBondContact O-N 3.2Å; A488-R492 VanDerWaalsContact O-N 3.1Å; A489-R492 WeakPolarHBondContact O-CG 3.48Å; L490-R492 VanDerWaalsContact C-N 3.31Å; L490-R492 PolarHBondContact O-N 3Å; R492-S494 PolarHBondContact O-N 2.78Å; R492-G495 PolarHBondContact O-N 2.92Å; R492-G495 VanDerWaalsContact O-N 3.14Å; R492-D496 WeakPolarHBondContact CA-O 3.38Å; R492-D496 WeakPolarHBondContact CB-O 3.31Å
493L95.9Very high94.5Very high108 Ų10853.4 Ų53.457%0.56528%0.284SS*.G310 helixtrans-65.5-18.3175.2-59.7-178.1000112.4T327 L490 Y491 G495T327-L493 HydrophobicContact CG2-CB 3.83Å; L490-L493 HydrophobicContact CD1-CD1 4.36Å; L490-L493 WeakPolarHBondContact O-CB 3.41Å; L490-L493 PolarHBondContact O-N 3.38Å; L490-L493 VanDerWaalsContact O-N 3.1Å; Y491-L493 PolarHBondContact O-N 2.91Å; L493-G495 VanDerWaalsContact C-N 3.25Å; L493-G495 PolarHBondContact O-N 3.17Å
494S93.9Very high94.4Very high11 Ų1156.8 Ų56.88%0.07731%0.306CS..G310 helixtrans-72.1-16.1174.4-40.20000113.2Y328 L361 Y491 R492Y328-S494 WeakPolarHBondContact CA-OG 3.37Å; L361-S494 WeakPolarHBondContact CD1-O 3.2Å; Y491-S494 VanDerWaalsContact O-CB 3.24Å; Y491-S494 WeakPolarHBondContact O-CB 3.41Å; Y491-S494 PolarHBondContact O-N 2.79Å; Y491-S494 PolarHBondContact O-OG 2.76Å; R492-S494 PolarHBondContact O-N 2.78Å
495G86.9Confident94.3Very high20 Ų2061 Ų6121%0.20632%0.32CS..SBendtrans146.9-35.2172.700000115.2R492 L493 K497R492-G495 PolarHBondContact O-N 2.92Å; R492-G495 VanDerWaalsContact O-N 3.14Å; L493-G495 VanDerWaalsContact C-N 3.25Å; L493-G495 PolarHBondContact O-N 3.17Å; G495-K497 PolarHBondContact O-N 2.88Å
496D87.7Confident93.9Very high14 Ų1456.8 Ų56.88%0.07530%0.301CS..  trans-78.394-179.3-173.6-11.6000111.4R492 N498 H518R492-D496 WeakPolarHBondContact CA-O 3.38Å; R492-D496 WeakPolarHBondContact CB-O 3.31Å; D496-N498 VanDerWaalsContact C-N 3.33Å; D496-N498 VanDerWaalsContact OD1-CB 3.23Å; D496-N498 WeakPolarHBondContact OD1-CB 3.45Å; D496-N498 PolarHBondContact OD1-N 3.46Å; D496-H518 PolarHBondContact O-NE2 3.21Å; D496-H518 VanDerWaalsContact O-NE2 3.14Å; D496-H518 IonicContact OD2-CD2 2.68Å; D496-H518 PolarHBondContact OD2-CD2 2.88Å
497K88.8Confident93.7Very high147 Ų14751.1 Ų51.164%0.63927%0.271SS*.  trans-88.711-177.4-65.9-179-176.5173.70114G495G495-K497 PolarHBondContact O-N 2.88Å
498N88Confident93.4Very high60 Ų6055.7 Ų55.732%0.32130%0.295SS..  trans-51.1125.7-177.8-179.7-18.6000111.1M368 D496 L500 H501M368-N498 HydrophobicContact CE-CB 4.37Å; D496-N498 VanDerWaalsContact C-N 3.33Å; D496-N498 VanDerWaalsContact OD1-CB 3.23Å; D496-N498 WeakPolarHBondContact OD1-CB 3.45Å; D496-N498 PolarHBondContact OD1-N 3.46Å; N498-L500 PolarHBondContact O-N 3.04Å; N498-L500 VanDerWaalsContact O-N 3.17Å; N498-L500 VanDerWaalsContact OD1-CB 3.28Å; N498-L500 WeakPolarHBondContact OD1-CB 3.31Å; N498-L500 PolarHBondContact OD1-N 3.01Å; N498-H501 PolarHBondContact O-N 3.27Å
499P91.5Very high92.9Very high56 Ų5662.1 Ų62.136%0.36433%0.328SS..G310 helixtrans-65.4-19.1-173.928-37.6000113.8H501 I502 D503 M506P499-H501 PolarHBondContact O-N 3.35Å; P499-I502 PolarHBondContact O-N 3.3Å; P499-D503 HydrophobicContact CB-CB 4.22Å; P499-D503 WeakPolarHBondContact O-CB 3.11Å; P499-D503 PolarHBondContact O-N 2.8Å; P499-M506 HydrophobicContact CB-CB 4.17Å; P499-M506 HydrophobicContact CB-CG 3.87Å; P499-M506 HydrophobicContact CG-CB 4.45Å; P499-M506 HydrophobicContact CG-CE 4.33Å; P499-M506 HydrophobicContact CG-CG 4.11Å
500L91.1Very high92.3Very high34 Ų3462.4 Ų62.418%0.17833%0.331CS..G310 helixtrans-50.5-28.3173.3178.459000113.4N498 A510 F512 P515 I516N498-L500 PolarHBondContact O-N 3.04Å; N498-L500 VanDerWaalsContact O-N 3.17Å; N498-L500 VanDerWaalsContact OD1-CB 3.28Å; N498-L500 WeakPolarHBondContact OD1-CB 3.31Å; N498-L500 PolarHBondContact OD1-N 3.01Å; L500-A510 HydrophobicContact CD1-CB 3.5Å; L500-F512 HydrophobicContact CD1-CD2 3.79Å; L500-F512 HydrophobicContact CD1-CE2 4.11Å; L500-P515 WeakPolarHBondContact O-CA 3.35Å; L500-I516 HydrophobicContact CD2-CD1 4.29Å; L500-I516 HydrophobicContact CG-CG1 4.25Å
501H94.6Very high91.9Very high16 Ų1662.7 Ų62.77%0.07435%0.349CS..G310 helixtrans-96.31.9-174.8-57.1-60.4000114.3A488 N498 P499 I516 H518A488-H501 HydrophobicContact CB-CB 4.46Å; A488-H501 WeakPolarHBondContact CB-O 3.43Å; N498-H501 PolarHBondContact O-N 3.27Å; P499-H501 PolarHBondContact O-N 3.35Å; H501-I516 PolarHBondContact ND1-O 2.9Å; H501-H518 WeakPolarHBondContact CB-CE1 3.34Å; H501-H518 AromaticContact CD2-CD2 3.17Å; H501-H518 PolarHBondContact CD2-CD2 3.31Å; H501-H518 AromaticContact CD2-CE1 3.68Å; H501-H518 AromaticContact CD2-CG 3.71Å; H501-H518 AromaticContact CD2-NE2 3.17Å; H501-H518 PolarHBondContact CD2-NE2 3.08Å; H501-H518 AromaticContact CG-CD2 3.63Å; H501-H518 AromaticContact CG-CE1 3.43Å; H501-H518 VanDerWaalsContact CG-CE1 3.43Å; H501-H518 AromaticContact CG-CG 3.75Å; H501-H518 AromaticContact CG-ND1 3.65Å; H501-H518 AromaticContact CG-NE2 3.44Å; H501-H518 AromaticContact ND1-CG 3.96Å; H501-H518 AromaticContact NE2-CD2 3.54Å; H501-H518 AromaticContact NE2-CG 3.91Å
502I96Very high91.6Very high76 Ų7665.4 Ų65.439%0.3936%0.361SS..THydrogen-bonded Turntrans-145.4-31.1-178.1-165.763.5000114.4A489 P499 P504A489-I502 HydrophobicContact CB-CD1 3.67Å; P499-I502 PolarHBondContact O-N 3.3Å; I502-P504 WeakPolarHBondContact O-CD 3.43Å
503D95.5Very high91.5Very high58 Ų5871.9 Ų71.931%0.3139%0.39SS..  trans-94.9116.2-176.3-175.8-19.7000110.6P499 Q505 M506 A507P499-D503 HydrophobicContact CB-CB 4.22Å; P499-D503 WeakPolarHBondContact O-CB 3.11Å; P499-D503 PolarHBondContact O-N 2.8Å; D503-Q505 VanDerWaalsContact C-N 3.27Å; D503-Q505 PolarHBondContact O-N 2.83Å; D503-Q505 WeakPolarHBondContact OD1-CB 3.49Å; D503-Q505 PolarHBondContact OD1-N 2.97Å; D503-M506 HydrophobicContact CB-CB 4.04Å; D503-M506 HydrophobicContact CB-CG 3.99Å; D503-M506 PolarHBondContact O-N 2.94Å; D503-A507 PolarHBondContact O-N 2.88Å
504P95.9Very high91.5Very high77 Ų7769.8 Ų69.850%0.538%0.382SS..Hα-helixtrans-58.6-33.6177.9-24.635.1000114.3I502 A507 L508 P515I502-P504 WeakPolarHBondContact O-CD 3.43Å; P504-A507 PolarHBondContact O-N 2.81Å; P504-L508 VanDerWaalsContact O-CG 3.31Å; P504-L508 WeakPolarHBondContact O-CG 3.34Å; P504-L508 PolarHBondContact O-N 3.43Å; P504-P515 HydrophobicContact CG-CG 4.48Å
505Q95Very high91.6Very high144 Ų14470.5 Ų70.567%0.67339%0.387SS*.Hα-helixtrans-70-42.3179.8-61.9-176.314.200110.7D503 A507 L508 L509D503-Q505 VanDerWaalsContact C-N 3.27Å; D503-Q505 PolarHBondContact O-N 2.83Å; D503-Q505 WeakPolarHBondContact OD1-CB 3.49Å; D503-Q505 PolarHBondContact OD1-N 2.97Å; Q505-A507 VanDerWaalsContact C-N 3.35Å; Q505-L508 PolarHBondContact O-N 3.37Å; Q505-L509 WeakPolarHBondContact O-CG 3.48Å; Q505-L509 PolarHBondContact O-N 2.85Å
506M89.5Confident92.1Very high78 Ų7870.4 Ų70.438%0.38438%0.381SS..Hα-helixtrans-67.3-36.7176.3-65.4-57.1-59.400111.9P499 D503 L509 A510P499-M506 HydrophobicContact CB-CB 4.17Å; P499-M506 HydrophobicContact CB-CG 3.87Å; P499-M506 HydrophobicContact CG-CB 4.45Å; P499-M506 HydrophobicContact CG-CE 4.33Å; P499-M506 HydrophobicContact CG-CG 4.11Å; D503-M506 HydrophobicContact CB-CB 4.04Å; D503-M506 HydrophobicContact CB-CG 3.99Å; D503-M506 PolarHBondContact O-N 2.94Å; M506-L509 PolarHBondContact O-N 2.82Å; M506-L509 HydrophobicContact SD-CD1 4.01Å; M506-A510 WeakPolarHBondContact O-CB 3.42Å; M506-A510 PolarHBondContact O-N 2.97Å
507A91.9Very high92.6Very high0 Ų070 Ų700%038%0.379CS..Hα-helixtrans-61.1-45.6172.500000112.1D503 P504 Q505 A510 G511 F512 P515D503-A507 PolarHBondContact O-N 2.88Å; P504-A507 PolarHBondContact O-N 2.81Å; Q505-A507 VanDerWaalsContact C-N 3.35Å; A507-A510 CarbonylContact O-C 3.55Å; A507-A510 PolarHBondContact O-N 2.85Å; A507-G511 PolarHBondContact O-N 2.82Å; A507-F512 CarbonylContact C-O 3.56Å; A507-F512 HydrophobicContact CB-CB 4.37Å; A507-F512 WeakPolarHBondContact O-CA 3.47Å; A507-F512 PolarHBondContact O-N 2.83Å; A507-F512 VanDerWaalsContact O-O 3.06Å; A507-P515 HydrophobicContact CB-CG 4.24Å
508L92.1Very high92.9Very high110 Ų11063 Ų6358%0.57635%0.349SS*.Hα-helixtrans-61.6-44.3176.6-74.9168.6000112.2P504 Q505 A510 G511 F512P504-L508 VanDerWaalsContact O-CG 3.31Å; P504-L508 WeakPolarHBondContact O-CG 3.34Å; P504-L508 PolarHBondContact O-N 3.43Å; Q505-L508 PolarHBondContact O-N 3.37Å; L508-A510 VanDerWaalsContact C-N 3.25Å; L508-A510 PolarHBondContact O-N 2.72Å; L508-G511 PolarHBondContact O-N 2.97Å; L508-F512 VanDerWaalsContact CA-O 3.23Å; L508-F512 WeakPolarHBondContact CA-O 3.5Å; L508-F512 PolarHBondContact N-O 3.44Å
509L87.4Confident93.3Very high139 Ų13961.5 Ų61.573%0.72835%0.347SS*.Hα-helixtrans-61.3-34.8175.7-72.8172.8000112.1Q505 M506 G511Q505-L509 WeakPolarHBondContact O-CG 3.48Å; Q505-L509 PolarHBondContact O-N 2.85Å; M506-L509 PolarHBondContact O-N 2.82Å; M506-L509 HydrophobicContact SD-CD1 4.01Å; L509-G511 PolarHBondContact O-N 2.87Å
510A85.2Confident93.5Very high39 Ų3959.3 Ų59.332%0.32233%0.332SS..THydrogen-bonded Turntrans-80.53.5174.300000114.1L500 M506 A507 L508 F512L500-A510 HydrophobicContact CD1-CB 3.5Å; M506-A510 WeakPolarHBondContact O-CB 3.42Å; M506-A510 PolarHBondContact O-N 2.97Å; A507-A510 CarbonylContact O-C 3.55Å; A507-A510 PolarHBondContact O-N 2.85Å; L508-A510 VanDerWaalsContact C-N 3.25Å; L508-A510 PolarHBondContact O-N 2.72Å; A510-F512 HydrophobicContact CB-CD2 3.95Å; A510-F512 HydrophobicContact CB-CE2 4.19Å
511G89.3Confident93.9Very high69 Ų6957.7 Ų57.771%0.71132%0.324SS*.THydrogen-bonded Turntrans86.912.3177.100000115.5A507 L508 L509A507-G511 PolarHBondContact O-N 2.82Å; L508-G511 PolarHBondContact O-N 2.97Å; L509-G511 PolarHBondContact O-N 2.87Å
512F92.1Very high94.1Very high59 Ų5957.1 Ų57.126%0.25932%0.321SS..  trans-105.3141.1176.2-57.1-76.1000111.5L500 A507 L508 A510 T514 I516 P552L500-F512 HydrophobicContact CD1-CD2 3.79Å; L500-F512 HydrophobicContact CD1-CE2 4.11Å; A507-F512 CarbonylContact C-O 3.56Å; A507-F512 HydrophobicContact CB-CB 4.37Å; A507-F512 WeakPolarHBondContact O-CA 3.47Å; A507-F512 PolarHBondContact O-N 2.83Å; A507-F512 VanDerWaalsContact O-O 3.06Å; L508-F512 VanDerWaalsContact CA-O 3.23Å; L508-F512 WeakPolarHBondContact CA-O 3.5Å; L508-F512 PolarHBondContact N-O 3.44Å; A510-F512 HydrophobicContact CB-CD2 3.95Å; A510-F512 HydrophobicContact CB-CE2 4.19Å; F512-T514 VanDerWaalsContact C-N 3.27Å; F512-T514 WeakPolarHBondContact CB-O 3.49Å; F512-T514 PolarHBondContact O-N 3.01Å; F512-I516 HydrophobicContact CB-CG2 4.1Å; F512-I516 HydrophobicContact CD1-CG2 3.69Å; F512-I516 HydrophobicContact CD2-CD1 4.32Å; F512-I516 HydrophobicContact CD2-CG2 4.42Å; F512-I516 HydrophobicContact CE1-CD1 4.16Å; F512-I516 HydrophobicContact CE1-CG2 4.23Å; F512-I516 HydrophobicContact CE2-CD1 3.9Å; F512-I516 HydrophobicContact CG-CG2 3.8Å; F512-I516 HydrophobicContact CZ-CD1 3.81Å; F512-P552 HydrophobicContact CE1-CB 3.91Å; F512-P552 HydrophobicContact CE1-CG 3.91Å
513K93.6Very high94.2Very high195 Ų19553.6 Ų53.685%0.84830%0.303SS*.SBendtrans-69.2-26.8179.6-66.6-174.5179.4-177.10113.3
514T95.6Very high94.3Very high63 Ų6350.8 Ų50.839%0.38729%0.288SS..SBendtrans-145.8160.1-178.5560000108.4F512 I516F512-T514 VanDerWaalsContact C-N 3.27Å; F512-T514 WeakPolarHBondContact CB-O 3.49Å; F512-T514 PolarHBondContact O-N 3.01Å; T514-I516 PolarHBondContact O-N 3.07Å
515P96.7Very high94.4Very high27 Ų2747.3 Ų47.318%0.17527%0.265CS..PPolyproline II helixtrans-51.5139.7169.6-26.435.9000111.8L500 P504 A507 P555L500-P515 WeakPolarHBondContact O-CA 3.35Å; P504-P515 HydrophobicContact CG-CG 4.48Å; A507-P515 HydrophobicContact CB-CG 4.24Å; P515-P555 WeakPolarHBondContact O-CD 3.4Å
516I96.5Very high94.6Very high18 Ų1840.5 Ų40.59%0.09223%0.233CC..PPolyproline II helixtrans-104157.3179.762.5169.2000110.4L500 H501 F512 T514 P552 V553L500-I516 HydrophobicContact CD2-CD1 4.29Å; L500-I516 HydrophobicContact CG-CG1 4.25Å; H501-I516 PolarHBondContact ND1-O 2.9Å; F512-I516 HydrophobicContact CB-CG2 4.1Å; F512-I516 HydrophobicContact CD1-CG2 3.69Å; F512-I516 HydrophobicContact CD2-CD1 4.32Å; F512-I516 HydrophobicContact CD2-CG2 4.42Å; F512-I516 HydrophobicContact CE1-CD1 4.16Å; F512-I516 HydrophobicContact CE1-CG2 4.23Å; F512-I516 HydrophobicContact CE2-CD1 3.9Å; F512-I516 HydrophobicContact CG-CG2 3.8Å; F512-I516 HydrophobicContact CZ-CD1 3.81Å; T514-I516 PolarHBondContact O-N 3.07Å; I516-P552 HydrophobicContact CB-CB 4.33Å; I516-P552 HydrophobicContact CD1-CB 3.92Å; I516-P552 HydrophobicContact CG2-CB 4.04Å; I516-V553 CarbonylContact C-O 3.43Å; I516-V553 WeakPolarHBondContact CA-O 3.4Å
517L97.6Very high95Very high4 Ų436.8 Ų36.82%0.02122%0.215CC..PPolyproline II helixtrans-69143.6173.5-167.167.2000110.7T483 Q487 A488 G519 C521 V553 P555T483-L517 HydrophobicContact CG2-CD2 3.98Å; Q487-L517 HydrophobicContact CB-CD1 3.86Å; Q487-L517 HydrophobicContact CG-CD1 3.8Å; A488-L517 HydrophobicContact CB-CD1 4.04Å; L517-G519 PolarHBondContact O-N 2.95Å; L517-C521 HydrophobicContact CD1-CB 4.14Å; L517-C521 HydrophobicContact CD2-CB 4.37Å; L517-C521 HydrophobicContact CG-CB 3.98Å; L517-V553 HydrophobicContact CB-CB 4.01Å; L517-V553 HydrophobicContact CB-CG1 4.19Å; L517-V553 WeakPolarHBondContact CB-O 3.4Å; L517-V553 HydrophobicContact CD2-CB 4.28Å; L517-V553 HydrophobicContact CD2-CG1 3.93Å; L517-V553 PolarHBondContact N-O 2.77Å; L517-P555 HydrophobicContact CB-CG 4.4Å
518H95.9Very high95.3Very high2 Ų237 Ų371%0.00922%0.216CC..PPolyproline II helixtrans-58.2132.3172-55.672.7000110.5Y491 D496 H501 L520 C521 T522Y491-H518 HydrophobicContact CD1-CB 3.75Å; Y491-H518 AromaticContact CD1-CD2 3.84Å; Y491-H518 AromaticContact CD1-CE1 3.86Å; Y491-H518 AromaticContact CD1-CG 3.45Å; Y491-H518 VanDerWaalsContact CD1-CG 3.45Å; Y491-H518 AromaticContact CD1-ND1 3.47Å; Y491-H518 WeakPolarHBondContact CD1-ND1 3.27Å; Y491-H518 HydrophobicContact CE1-CB 3.71Å; Y491-H518 AromaticContact CE1-CD2 3.95Å; Y491-H518 AromaticContact CE1-CG 3.74Å; D496-H518 PolarHBondContact O-NE2 3.21Å; D496-H518 VanDerWaalsContact O-NE2 3.14Å; D496-H518 IonicContact OD2-CD2 2.68Å; D496-H518 PolarHBondContact OD2-CD2 2.88Å; H501-H518 WeakPolarHBondContact CB-CE1 3.34Å; H501-H518 AromaticContact CD2-CD2 3.17Å; H501-H518 PolarHBondContact CD2-CD2 3.31Å; H501-H518 AromaticContact CD2-CE1 3.68Å; H501-H518 AromaticContact CD2-CG 3.71Å; H501-H518 AromaticContact CD2-NE2 3.17Å; H501-H518 PolarHBondContact CD2-NE2 3.08Å; H501-H518 AromaticContact CG-CD2 3.63Å; H501-H518 AromaticContact CG-CE1 3.43Å; H501-H518 VanDerWaalsContact CG-CE1 3.43Å; H501-H518 AromaticContact CG-CG 3.75Å; H501-H518 AromaticContact CG-ND1 3.65Å; H501-H518 AromaticContact CG-NE2 3.44Å; H501-H518 AromaticContact ND1-CG 3.96Å; H501-H518 AromaticContact NE2-CD2 3.54Å; H501-H518 AromaticContact NE2-CG 3.91Å; H518-L520 PolarHBondContact O-N 2.88Å; H518-C521 HydrophobicContact CB-CB 3.96Å; H518-C521 WeakPolarHBondContact O-CA 3.3Å; H518-C521 VanDerWaalsContact O-CB 3.27Å; H518-C521 WeakPolarHBondContact O-CB 3.25Å; H518-C521 PolarHBondContact O-N 3.43Å; H518-T522 PolarHBondContact O-N 3.18Å
519G96.1Very high95.6Very high28 Ų2831.8 Ų31.829%0.28919%0.189SC..Hα-helixtrans-55.1-39.4173.500000111.8L517 C521 T522 L523 F549L517-G519 PolarHBondContact O-N 2.95Å; G519-C521 VanDerWaalsContact C-N 3.3Å; G519-C521 PolarHBondContact O-N 2.93Å; G519-T522 WeakPolarHBondContact O-CB 3.44Å; G519-T522 PolarHBondContact O-N 3.49Å; G519-T522 VanDerWaalsContact O-N 3.16Å; G519-L523 PolarHBondContact O-N 2.87Å; G519-F549 WeakPolarHBondContact O-CE1 3.21Å
520L96.7Very high96.1Very high10 Ų1025.1 Ų25.15%0.05215%0.154CC..Hα-helixtrans-66.3-27.5176.2-66.7173.5000114V360 L364 Q393 Y491 H518 L523 G524 F549V360-L520 HydrophobicContact CG1-CD1 4.12Å; V360-L520 HydrophobicContact CG1-CD2 3.94Å; L364-L520 HydrophobicContact CD1-CD1 4.27Å; L364-L520 HydrophobicContact CD2-CD1 3.38Å; L364-L520 HydrophobicContact CG-CD1 4.35Å; Q393-L520 HydrophobicContact CB-CD2 4.36Å; Q393-L520 HydrophobicContact CG-CD2 4.08Å; Y491-L520 HydrophobicContact CE1-CB 4.47Å; Y491-L520 VanDerWaalsContact OH-CB 3.23Å; Y491-L520 WeakPolarHBondContact OH-CB 3.29Å; H518-L520 PolarHBondContact O-N 2.88Å; L520-L523 HydrophobicContact CD2-CD2 3.95Å; L520-L523 WeakPolarHBondContact O-CB 3.43Å; L520-L523 PolarHBondContact O-N 2.74Å; L520-G524 PolarHBondContact O-N 3.31Å; L520-F549 HydrophobicContact CD2-CE2 4.43Å; L520-F549 HydrophobicContact CD2-CZ 3.94Å
521C98.2Very high96.6Very high0 Ų023.3 Ų23.30%014%0.139CC..Hα-helixtrans-66.6-48.5170.1-179.60000109.9G331 Y491 L517 H518 G519 L523 G524 F525G331-C521 PolarHBondContact O-SG 3.09Å; Y491-C521 HydrophobicContact CD1-CB 3.9Å; Y491-C521 HydrophobicContact CD2-CB 3.55Å; Y491-C521 HydrophobicContact CE1-CB 4.14Å; Y491-C521 HydrophobicContact CE2-CB 3.8Å; Y491-C521 HydrophobicContact CG-CB 3.6Å; L517-C521 HydrophobicContact CD1-CB 4.14Å; L517-C521 HydrophobicContact CD2-CB 4.37Å; L517-C521 HydrophobicContact CG-CB 3.98Å; H518-C521 HydrophobicContact CB-CB 3.96Å; H518-C521 WeakPolarHBondContact O-CA 3.3Å; H518-C521 VanDerWaalsContact O-CB 3.27Å; H518-C521 WeakPolarHBondContact O-CB 3.25Å; H518-C521 PolarHBondContact O-N 3.43Å; G519-C521 VanDerWaalsContact C-N 3.3Å; G519-C521 PolarHBondContact O-N 2.93Å; C521-L523 VanDerWaalsContact C-N 3.28Å; C521-L523 PolarHBondContact O-N 2.95Å; C521-G524 WeakPolarHBondContact O-CA 3.32Å; C521-G524 PolarHBondContact O-N 2.88Å; C521-F525 WeakPolarHBondContact O-CD2 3.17Å; C521-F525 PolarHBondContact O-N 3.26Å; C521-F525 VanDerWaalsContact O-N 3.09Å
522T98.4Very high96.9Very high4 Ų422 Ų223%0.02512%0.121CC..Hα-helixtrans-55.7-42.9174-50.50000111.6H518 G519 G524 F525 S526 V553 L559 T574 V583 I584H518-T522 PolarHBondContact O-N 3.18Å; G519-T522 WeakPolarHBondContact O-CB 3.44Å; G519-T522 PolarHBondContact O-N 3.49Å; G519-T522 VanDerWaalsContact O-N 3.16Å; T522-G524 VanDerWaalsContact C-N 3.33Å; T522-G524 PolarHBondContact O-N 2.83Å; T522-F525 WeakPolarHBondContact O-CB 3.33Å; T522-F525 PolarHBondContact O-N 3.01Å; T522-S526 PolarHBondContact O-N 2.86Å; T522-S526 PolarHBondContact O-OG 2.8Å; T522-V553 HydrophobicContact CG2-CG2 4.2Å; T522-L559 HydrophobicContact CG2-CD1 4Å; T522-L559 HydrophobicContact CG2-CD2 4.05Å; T522-T574 HydrophobicContact CG2-CG2 3.97Å; T522-V583 HydrophobicContact CG2-CG2 4.07Å; T522-I584 HydrophobicContact CG2-CD1 3.67Å; T522-I584 HydrophobicContact CG2-CG1 4.12Å
523L98.5Very high97.1Very high1 Ų123 Ų231%0.00513%0.127CC..Hα-helixtrans-56.6-45.8173.2169.663000111.7T357 Q393 G519 L520 C521 F525 S526 V527 V545 V547 F549 F572 I584T357-L523 HydrophobicContact CG2-CG 4.3Å; Q393-L523 HydrophobicContact CB-CD2 4.4Å; Q393-L523 HydrophobicContact CG-CD2 4.19Å; G519-L523 PolarHBondContact O-N 2.87Å; L520-L523 HydrophobicContact CD2-CD2 3.95Å; L520-L523 WeakPolarHBondContact O-CB 3.43Å; L520-L523 PolarHBondContact O-N 2.74Å; C521-L523 VanDerWaalsContact C-N 3.28Å; C521-L523 PolarHBondContact O-N 2.95Å; L523-F525 PolarHBondContact O-N 3.49Å; L523-S526 PolarHBondContact O-N 2.92Å; L523-S526 VanDerWaalsContact O-N 3.15Å; L523-V527 HydrophobicContact CD1-CG2 3.81Å; L523-V527 HydrophobicContact CG-CG2 4.39Å; L523-V527 WeakPolarHBondContact O-CG2 3.02Å; L523-V527 PolarHBondContact O-N 3.29Å; L523-V545 HydrophobicContact CD1-CG1 4.5Å; L523-V545 HydrophobicContact CD1-CG2 3.89Å; L523-V547 HydrophobicContact CD1-CB 4.47Å; L523-V547 HydrophobicContact CD1-CG1 3.5Å; L523-V547 HydrophobicContact CD1-CG2 4.12Å; L523-V547 HydrophobicContact CD2-CG2 4.39Å; L523-F549 HydrophobicContact CB-CE1 4.13Å; L523-F549 HydrophobicContact CB-CZ 4.26Å; L523-F549 HydrophobicContact CD2-CZ 4.37Å; L523-F572 HydrophobicContact CD1-CZ 4.31Å; L523-I584 HydrophobicContact CB-CD1 4.35Å
524G98.3Very high97.2Very high0 Ų013.8 Ų13.80%09%0.087CC..Hα-helixtrans-58.1-44.8177.600000112.8L520 C521 T522 S526 V527 R528L520-G524 PolarHBondContact O-N 3.31Å; C521-G524 WeakPolarHBondContact O-CA 3.32Å; C521-G524 PolarHBondContact O-N 2.88Å; T522-G524 VanDerWaalsContact C-N 3.33Å; T522-G524 PolarHBondContact O-N 2.83Å; G524-S526 VanDerWaalsContact C-N 3.35Å; G524-S526 PolarHBondContact O-N 2.97Å; G524-V527 PolarHBondContact O-N 2.82Å; G524-R528 WeakPolarHBondContact O-CB 3.33Å; G524-R528 WeakPolarHBondContact O-CG 3.1Å; G524-R528 PolarHBondContact O-N 3.15Å
525F98.6Very high97.2Very high4 Ų410.9 Ų10.92%0.0187%0.069CC..Hα-helixtrans-58.2-45.1172.8-83.2-85.6000112.2I332 Y481 T483 Q487 C521 T522 L523 R528 A529 L559I332-F525 WeakPolarHBondContact O-CE1 3.36Å; Y481-F525 HydrophobicContact CD1-CD1 4.22Å; Y481-F525 HydrophobicContact CD1-CE1 4.47Å; Y481-F525 HydrophobicContact CD2-CB 4.41Å; Y481-F525 AromaticContact CD2-CD1 3.87Å; Y481-F525 HydrophobicContact CD2-CD1 3.87Å; Y481-F525 AromaticContact CG-CD1 3.64Å; Y481-F525 HydrophobicContact CG-CD1 3.64Å; Y481-F525 HydrophobicContact CG-CE1 4.14Å; T483-F525 HydrophobicContact CG2-CE2 4.11Å; T483-F525 HydrophobicContact CG2-CZ 4.12Å; Q487-F525 HydrophobicContact CG-CE2 4.15Å; Q487-F525 HydrophobicContact CG-CZ 4.38Å; C521-F525 WeakPolarHBondContact O-CD2 3.17Å; C521-F525 PolarHBondContact O-N 3.26Å; C521-F525 VanDerWaalsContact O-N 3.09Å; T522-F525 WeakPolarHBondContact O-CB 3.33Å; T522-F525 PolarHBondContact O-N 3.01Å; L523-F525 PolarHBondContact O-N 3.49Å; F525-R528 PolarHBondContact O-N 3.47Å; F525-A529 PolarHBondContact O-N 3.29Å; F525-L559 HydrophobicContact CB-CD1 3.87Å; F525-L559 HydrophobicContact CD2-CD1 4.06Å; F525-L559 HydrophobicContact CG-CD1 3.92Å
526S98.6Very high97Very high0 Ų013.4 Ų13.40%08%0.081CC..Hα-helixtrans-67.1-41.6-179.4-47.80000112.8T522 L523 G524 R528 A529 V530 T574T522-S526 PolarHBondContact O-N 2.86Å; T522-S526 PolarHBondContact O-OG 2.8Å; L523-S526 PolarHBondContact O-N 2.92Å; L523-S526 VanDerWaalsContact O-N 3.15Å; G524-S526 VanDerWaalsContact C-N 3.35Å; G524-S526 PolarHBondContact O-N 2.97Å; S526-R528 VanDerWaalsContact C-N 3.34Å; S526-A529 VanDerWaalsContact O-CB 3.27Å; S526-A529 WeakPolarHBondContact O-CB 3.42Å; S526-A529 PolarHBondContact O-N 3.34Å; S526-V530 PolarHBondContact O-N 2.93Å; S526-V530 VanDerWaalsContact O-N 3.15Å; S526-T574 PolarHBondContact OG-OG1 2.67Å
527V98.3Very high96.9Very high0 Ų012.7 Ų12.70%08%0.077CC..Hα-helixtrans-65.7-38.5175.6174.90000111T357 L523 G524 A529 V530 L531 F542 V545 V589T357-V527 HydrophobicContact CG2-CB 3.89Å; T357-V527 HydrophobicContact CG2-CG1 4.03Å; T357-V527 HydrophobicContact CG2-CG2 3.58Å; L523-V527 HydrophobicContact CD1-CG2 3.81Å; L523-V527 HydrophobicContact CG-CG2 4.39Å; L523-V527 WeakPolarHBondContact O-CG2 3.02Å; L523-V527 PolarHBondContact O-N 3.29Å; G524-V527 PolarHBondContact O-N 2.82Å; V527-A529 VanDerWaalsContact C-N 3.3Å; V527-A529 PolarHBondContact O-N 3.5Å; V527-V530 WeakPolarHBondContact O-CB 3.18Å; V527-V530 PolarHBondContact O-N 3.29Å; V527-V530 VanDerWaalsContact O-N 3.12Å; V527-L531 HydrophobicContact CG1-CD1 4.19Å; V527-L531 HydrophobicContact CG1-CG 4.24Å; V527-L531 WeakPolarHBondContact O-CG 3.31Å; V527-L531 PolarHBondContact O-N 2.92Å; V527-F542 HydrophobicContact CG1-CD2 4.05Å; V527-F542 HydrophobicContact CG1-CE2 3.78Å; V527-V545 HydrophobicContact CG2-CB 4.41Å; V527-V545 HydrophobicContact CG2-CG2 3.95Å; V527-V589 HydrophobicContact CG2-CG2 4.16Å
528R97.5Very high96.8Very high5 Ų515.6 Ų15.62%0.0199%0.092CC..Hα-helixtrans-60.6-38.8172.2-76.4-175.564.5-123.7-5.6112.6I332 G333 D341 I355 G524 F525 S526 V530 L531 A532I332-R528 HydrophobicContact CD1-CG 3.99Å; I332-R528 PolarHBondContact O-NH1 3.41Å; G333-R528 PolarHBondContact O-NH1 2.82Å; D341-R528 IonicContact OD1-CZ 3.3Å; D341-R528 IonicContact OD1-NE 2.83Å; D341-R528 IonicContact OD1-NH2 2.88Å; D341-R528 PolarHBondContact OD1-NH2 3.07Å; D341-R528 IonicContact OD2-CZ 2.87Å; D341-R528 IonicContact OD2-NH2 3.31Å; D341-R528 PolarHBondContact OD2-NH2 2.98Å; I355-R528 HydrophobicContact CD1-CG 4.19Å; G524-R528 WeakPolarHBondContact O-CB 3.33Å; G524-R528 WeakPolarHBondContact O-CG 3.1Å; G524-R528 PolarHBondContact O-N 3.15Å; F525-R528 PolarHBondContact O-N 3.47Å; S526-R528 VanDerWaalsContact C-N 3.34Å; R528-V530 VanDerWaalsContact C-N 3.31Å; R528-V530 PolarHBondContact O-N 3.12Å; R528-L531 PolarHBondContact O-N 3.32Å; R528-A532 VanDerWaalsContact O-CB 3.28Å; R528-A532 WeakPolarHBondContact O-CB 3.23Å; R528-A532 PolarHBondContact O-N 2.83Å
529A97.8Very high96.8Very high0 Ų016.3 Ų16.30%010%0.097CC..Hα-helixtrans-57.4-44.5172.400000112V479 Y481 F525 S526 V527 Q533 V561 L563V479-A529 HydrophobicContact CB-CB 4.07Å; V479-A529 HydrophobicContact CG1-CB 4.35Å; V479-A529 HydrophobicContact CG2-CB 4.26Å; Y481-A529 HydrophobicContact CE2-CB 3.98Å; F525-A529 PolarHBondContact O-N 3.29Å; S526-A529 VanDerWaalsContact O-CB 3.27Å; S526-A529 WeakPolarHBondContact O-CB 3.42Å; S526-A529 PolarHBondContact O-N 3.34Å; V527-A529 VanDerWaalsContact C-N 3.3Å; V527-A529 PolarHBondContact O-N 3.5Å; A529-Q533 VanDerWaalsContact O-CB 3.26Å; A529-Q533 WeakPolarHBondContact O-CB 3.32Å; A529-Q533 PolarHBondContact O-N 2.97Å; A529-V561 HydrophobicContact CB-CB 3.96Å; A529-V561 HydrophobicContact CB-CG1 3.93Å; A529-V561 HydrophobicContact CB-CG2 4.13Å; A529-L563 HydrophobicContact CB-CD1 4.31Å
530V97.9Very high96.7Very high0 Ų017.4 Ų17.40%010%0.104CC..Hα-helixtrans-64.4-47177.1175.50000111.3S526 V527 R528 Q533 F534 L563 I570 F572 V589S526-V530 PolarHBondContact O-N 2.93Å; S526-V530 VanDerWaalsContact O-N 3.15Å; V527-V530 WeakPolarHBondContact O-CB 3.18Å; V527-V530 PolarHBondContact O-N 3.29Å; V527-V530 VanDerWaalsContact O-N 3.12Å; R528-V530 VanDerWaalsContact C-N 3.31Å; R528-V530 PolarHBondContact O-N 3.12Å; V530-Q533 PolarHBondContact O-N 2.62Å; V530-F534 HydrophobicContact CG1-CD2 4.34Å; V530-F534 PolarHBondContact O-N 3.22Å; V530-L563 HydrophobicContact CG2-CD2 3.72Å; V530-I570 HydrophobicContact CG1-CB 4Å; V530-I570 HydrophobicContact CG1-CG1 3.93Å; V530-I570 HydrophobicContact CG1-CG2 4.17Å; V530-I570 HydrophobicContact CG2-CB 4.49Å; V530-I570 HydrophobicContact CG2-CG2 4.07Å; V530-F572 HydrophobicContact CG2-CD1 4.49Å; V530-V589 HydrophobicContact CB-CB 4.49Å; V530-V589 HydrophobicContact CB-CG2 4.23Å; V530-V589 HydrophobicContact CG1-CB 3.92Å; V530-V589 HydrophobicContact CG1-CG1 3.91Å; V530-V589 HydrophobicContact CG1-CG2 4.2Å; V530-V589 HydrophobicContact CG2-CB 4.35Å; V530-V589 HydrophobicContact CG2-CG2 3.94Å
531L96.5Very high96.6Very high0 Ų017.9 Ų17.90%011%0.107CC..Hα-helixtrans-62.1-45.4-179.5-70.6177.4000111.4V527 R528 Q533 A535 D536 N537 F542V527-L531 HydrophobicContact CG1-CD1 4.19Å; V527-L531 HydrophobicContact CG1-CG 4.24Å; V527-L531 WeakPolarHBondContact O-CG 3.31Å; V527-L531 PolarHBondContact O-N 2.92Å; R528-L531 PolarHBondContact O-N 3.32Å; L531-Q533 PolarHBondContact O-N 2.82Å; L531-A535 HydrophobicContact CD2-CB 3.95Å; L531-A535 CarbonylContact O-C 3.56Å; L531-A535 VanDerWaalsContact O-C 3.28Å; L531-A535 WeakPolarHBondContact O-CA 3.3Å; L531-A535 WeakPolarHBondContact O-CB 3.17Å; L531-A535 PolarHBondContact O-N 3.19Å; L531-D536 PolarHBondContact O-N 2.84Å; L531-D536 VanDerWaalsContact O-N 3.09Å; L531-N537 PolarHBondContact O-N 2.9Å; L531-F542 HydrophobicContact CD2-CB 4.34Å
532A95.3Very high96.6Very high41 Ų4118 Ų1834%0.33911%0.107SC..Hα-helixtrans-62.4-42.5178.500000111.9R528 N537R528-A532 VanDerWaalsContact O-CB 3.28Å; R528-A532 WeakPolarHBondContact O-CB 3.23Å; R528-A532 PolarHBondContact O-N 2.83Å; A532-N537 VanDerWaalsContact CA-OD1 3.26Å; A532-N537 WeakPolarHBondContact CA-OD1 3.37Å; A532-N537 PolarHBondContact N-OD1 2.92Å
533Q96.2Very high96.6Very high81 Ų8122.3 Ų22.338%0.37913%0.125SC..Hα-helixtrans-82.5-35.6-174-171.26239.500113.9A477 A529 V530 L531 L563A477-Q533 HydrophobicContact CB-CG 3.68Å; A529-Q533 VanDerWaalsContact O-CB 3.26Å; A529-Q533 WeakPolarHBondContact O-CB 3.32Å; A529-Q533 PolarHBondContact O-N 2.97Å; V530-Q533 PolarHBondContact O-N 2.62Å; L531-Q533 PolarHBondContact O-N 2.82Å; Q533-L563 HydrophobicContact CB-CD1 4.06Å; Q533-L563 HydrophobicContact CG-CD1 4.28Å
534F96.6Very high96.6Very high2 Ų222.3 Ų22.31%0.00913%0.125CC..Hα-helixtrans-123.6-8.1-168-60.3-69.8000115.2A477 V530 L563 K565 I570 L591 A596A477-F534 HydrophobicContact CB-CZ 4.31Å; V530-F534 HydrophobicContact CG1-CD2 4.34Å; V530-F534 PolarHBondContact O-N 3.22Å; F534-L563 HydrophobicContact CD2-CD1 4.4Å; F534-L563 HydrophobicContact CE2-CB 3.76Å; F534-L563 HydrophobicContact CE2-CD1 3.71Å; F534-L563 HydrophobicContact CE2-CG 4.29Å; F534-L563 HydrophobicContact CZ-CB 4.25Å; F534-K565 HydrophobicContact CD1-CD 4.01Å; F534-K565 HydrophobicContact CE1-CB 4.04Å; F534-K565 HydrophobicContact CE1-CD 4.03Å; F534-K565 HydrophobicContact CZ-CB 4.34Å; F534-I570 HydrophobicContact CB-CD1 4.21Å; F534-I570 HydrophobicContact CB-CG1 4.32Å; F534-I570 HydrophobicContact CD1-CD1 4.16Å; F534-I570 HydrophobicContact CD2-CB 4.48Å; F534-I570 HydrophobicContact CD2-CD1 3.96Å; F534-I570 HydrophobicContact CD2-CG1 3.97Å; F534-I570 HydrophobicContact CD2-CG2 3.73Å; F534-I570 HydrophobicContact CE2-CD1 4.36Å; F534-I570 HydrophobicContact CE2-CG2 3.62Å; F534-I570 HydrophobicContact CG-CD1 3.84Å; F534-I570 HydrophobicContact CG-CG1 4.18Å; F534-I570 HydrophobicContact CZ-CG2 4.48Å; F534-L591 HydrophobicContact CB-CD1 3.93Å; F534-A596 HydrophobicContact CD1-CB 4.34Å
535A95Very high96.6Very high1 Ų122.3 Ų22.31%0.00813%0.125CC..SBendtrans-129.89.8-17800000113.9L531 N537 N538 L541 L591L531-A535 HydrophobicContact CD2-CB 3.95Å; L531-A535 CarbonylContact O-C 3.56Å; L531-A535 VanDerWaalsContact O-C 3.28Å; L531-A535 WeakPolarHBondContact O-CA 3.3Å; L531-A535 WeakPolarHBondContact O-CB 3.17Å; L531-A535 PolarHBondContact O-N 3.19Å; A535-N537 PolarHBondContact O-N 3.2Å; A535-N538 VanDerWaalsContact O-CB 3.26Å; A535-N538 WeakPolarHBondContact O-CB 3.14Å; A535-N538 PolarHBondContact O-N 3.3Å; A535-L541 HydrophobicContact CB-CB 4.12Å; A535-L541 HydrophobicContact CB-CD1 4.04Å; A535-L591 HydrophobicContact CB-CD2 4.46Å
536D92.8Very high96.6Very high81 Ų8122.1 Ų22.143%0.43313%0.125SC..THydrogen-bonded Turntrans51.238.5-176.7-164.838.2000113.4K340 R343 L531 N538K340-D536 IonicContact NZ-OD1 3.87Å; K340-D536 PolarHBondContact NZ-OD1 3.38Å; R343-D536 PolarHBondContact NH1-O 2.94Å; L531-D536 PolarHBondContact O-N 2.84Å; L531-D536 VanDerWaalsContact O-N 3.09Å; D536-N538 PolarHBondContact O-N 3.19Å
537N94.3Very high96.6Very high2 Ų222.1 Ų22.11%0.01113%0.125CC..THydrogen-bonded Turntrans56.614.8-171.9-89.9-7.3000114.8K340 R343 F344 L531 A532 A535 P539K340-N537 HydrophobicContact CB-CB 4.41Å; K340-N537 VanDerWaalsContact CB-ND2 3.34Å; K340-N537 WeakPolarHBondContact CB-ND2 3.46Å; K340-N537 PolarHBondContact O-ND2 2.74Å; K340-N537 VanDerWaalsContact O-ND2 3.09Å; R343-N537 WeakPolarHBondContact CD-O 3.12Å; R343-N537 PolarHBondContact NH1-O 2.93Å; F344-N537 HydrophobicContact CE2-CB 4.27Å; F344-N537 HydrophobicContact CZ-CB 4.42Å; F344-N537 VanDerWaalsContact CZ-O 3.3Å; F344-N537 WeakPolarHBondContact CZ-O 3.32Å; L531-N537 PolarHBondContact O-N 2.9Å; A532-N537 VanDerWaalsContact CA-OD1 3.26Å; A532-N537 WeakPolarHBondContact CA-OD1 3.37Å; A532-N537 PolarHBondContact N-OD1 2.92Å; A535-N537 PolarHBondContact O-N 3.2Å; N537-P539 WeakPolarHBondContact O-CD 3.38Å
538N94.8Very high96.6Very high65 Ų6527.5 Ų27.535%0.34815%0.145SC..  trans-81.9107.4178.1-176.9-10.2000109.7A535 D536 A540 L541A535-N538 VanDerWaalsContact O-CB 3.26Å; A535-N538 WeakPolarHBondContact O-CB 3.14Å; A535-N538 PolarHBondContact O-N 3.3Å; D536-N538 PolarHBondContact O-N 3.19Å; N538-A540 PolarHBondContact O-N 3.3Å; N538-A540 VanDerWaalsContact OD1-CB 3.28Å; N538-A540 WeakPolarHBondContact OD1-CB 3.37Å; N538-A540 PolarHBondContact OD1-N 3.35Å; N538-L541 HydrophobicContact CB-CD1 4.31Å; N538-L541 HydrophobicContact CB-CG 4.29Å; N538-L541 PolarHBondContact O-N 3.15Å
539P95.5Very high96.6Very high17 Ų1728.8 Ų28.811%0.1115%0.151CC..G310 helixtrans-68.8-21.8-177.731.3-36.8000112.8F344 A353 A354 P356 N537 L541 F542F344-P539 HydrophobicContact CE1-CB 4.36Å; F344-P539 HydrophobicContact CE1-CG 4.02Å; A353-P539 HydrophobicContact CB-CG 3.52Å; A354-P539 WeakPolarHBondContact O-CB 3.24Å; P356-P539 HydrophobicContact CG-CB 3.96Å; N537-P539 WeakPolarHBondContact O-CD 3.38Å; P539-L541 PolarHBondContact O-N 3.16Å; P539-L541 VanDerWaalsContact O-N 3.16Å; P539-F542 WeakPolarHBondContact O-CB 3.32Å; P539-F542 PolarHBondContact O-N 2.79Å
540A94.4Very high96.5Very high52 Ų5231.4 Ų31.443%0.4317%0.169SC..G310 helixtrans-65-19.9178.800000112.9N538 F542 K592N538-A540 PolarHBondContact O-N 3.3Å; N538-A540 VanDerWaalsContact OD1-CB 3.28Å; N538-A540 WeakPolarHBondContact OD1-CB 3.37Å; N538-A540 PolarHBondContact OD1-N 3.35Å; A540-F542 VanDerWaalsContact C-N 3.35Å; A540-K592 VanDerWaalsContact O-CD 3.32Å; A540-K592 WeakPolarHBondContact O-CD 3.35Å; A540-K592 WeakPolarHBondContact O-CE 3.22Å; A540-K592 PolarHBondContact O-NZ 2.82Å
541L96Very high96.3Very high20 Ų2032.9 Ų32.911%0.10518%0.184CC..G310 helixtrans-79.9-13.8173.7-65.1-176.3000113.3A535 N538 P539 L591 K592 S593A535-L541 HydrophobicContact CB-CB 4.12Å; A535-L541 HydrophobicContact CB-CD1 4.04Å; N538-L541 HydrophobicContact CB-CD1 4.31Å; N538-L541 HydrophobicContact CB-CG 4.29Å; N538-L541 PolarHBondContact O-N 3.15Å; P539-L541 PolarHBondContact O-N 3.16Å; P539-L541 VanDerWaalsContact O-N 3.16Å; L541-L591 CarbonylContact O-C 3.56Å; L541-L591 VanDerWaalsContact O-CA 3.22Å; L541-L591 WeakPolarHBondContact O-CA 3.37Å; L541-K592 PolarHBondContact O-N 2.72Å; L541-S593 WeakPolarHBondContact CD2-OG 3.21Å
542F97.9Very high96.3Very high1 Ų136 Ų360%0.00421%0.205CC..EExtended strand (participates in β ladder)trans-68.9138.2174-176.8-86.2000110.4P356 L395 I397 V527 L531 P539 A540 A544 V545 V589 K592P356-F542 HydrophobicContact CB-CB 4.3Å; P356-F542 HydrophobicContact CB-CD1 3.5Å; P356-F542 VanDerWaalsContact CB-CD1 3.5Å; P356-F542 HydrophobicContact CB-CD2 4.28Å; P356-F542 HydrophobicContact CB-CE1 3.76Å; P356-F542 HydrophobicContact CB-CE2 4.49Å; P356-F542 HydrophobicContact CB-CG 3.78Å; P356-F542 HydrophobicContact CB-CZ 4.24Å; P356-F542 HydrophobicContact CG-CB 3.65Å; P356-F542 HydrophobicContact CG-CD1 3.83Å; P356-F542 HydrophobicContact CG-CD2 4.24Å; P356-F542 HydrophobicContact CG-CG 3.65Å; L395-F542 HydrophobicContact CD2-CE1 4.24Å; L395-F542 HydrophobicContact CD2-CZ 4.32Å; I397-F542 HydrophobicContact CB-CD1 4.44Å; I397-F542 HydrophobicContact CD1-CE1 4.5Å; I397-F542 HydrophobicContact CG1-CD1 3.59Å; I397-F542 HydrophobicContact CG1-CE1 3.75Å; V527-F542 HydrophobicContact CG1-CD2 4.05Å; V527-F542 HydrophobicContact CG1-CE2 3.78Å; L531-F542 HydrophobicContact CD2-CB 4.34Å; P539-F542 WeakPolarHBondContact O-CB 3.32Å; P539-F542 PolarHBondContact O-N 2.79Å; A540-F542 VanDerWaalsContact C-N 3.35Å; F542-A544 VanDerWaalsContact CZ-C 3.44Å; F542-V545 HydrophobicContact CE2-CB 3.99Å; F542-V545 HydrophobicContact CE2-CG1 4.34Å; F542-V545 HydrophobicContact CZ-CB 3.72Å; F542-V545 HydrophobicContact CZ-CG1 3.74Å; F542-V589 HydrophobicContact CD2-CG1 3.8Å; F542-V589 HydrophobicContact CE2-CG1 3.78Å; F542-V589 HydrophobicContact CE2-CG2 4.4Å; F542-K592 WeakPolarHBondContact O-CE 3.47Å
543K98Very high96.4Very high95 Ų9534.1 Ų34.141%0.41319%0.189SC..EExtended strand (participates in β ladder)trans-115-57.2172.7-177.1-179.6176.3-179.60111.3E396 I397 D590 K592E396-K543 WeakPolarHBondContact CA-O 3.34Å; I397-K543 PolarHBondContact N-O 2.96Å; K543-D590 WeakPolarHBondContact CA-O 3.31Å; K543-D590 HydrophobicContact CB-CB 4.31Å; K543-D590 VanDerWaalsContact CB-O 3.31Å; K543-D590 WeakPolarHBondContact CB-O 3.39Å; K543-D590 PolarHBondContact N-O 3.16Å; K543-K592 HydrophobicContact CB-CG 4.01Å
544A98.5Very high96.5Very high1 Ų133.8 Ų33.81%0.00819%0.189CC..EExtended strand (participates in β ladder)trans-152.9160.8-177.100000112.2Y394 L395 E396 F542 V589 D590Y394-A544 HydrophobicContact CE2-CB 3.89Å; L395-A544 CarbonylContact O-C 3.53Å; L395-A544 WeakPolarHBondContact O-CA 3.38Å; L395-A544 WeakPolarHBondContact O-CB 3.38Å; E396-A544 HydrophobicContact CB-CB 4.16Å; E396-A544 HydrophobicContact CG-CB 4.32Å; F542-A544 VanDerWaalsContact CZ-C 3.44Å; A544-V589 CarbonylContact O-C 3.6Å; A544-V589 VanDerWaalsContact O-CA 3.31Å; A544-V589 WeakPolarHBondContact O-CA 3.49Å; A544-D590 HydrophobicContact CB-CB 4.41Å; A544-D590 PolarHBondContact N-O 2.96Å; A544-D590 PolarHBondContact O-N 2.84Å
545V98.7Very high96.6Very high0 Ų034.8 Ų34.80%020%0.196CC..EExtended strand (participates in β ladder)trans-136.9141.7169.665.30000110Y394 L395 L523 V527 F542 V547 F572 Y588 V589Y394-V545 CarbonylContact C-O 3.53Å; Y394-V545 VanDerWaalsContact CA-O 3.25Å; Y394-V545 WeakPolarHBondContact CA-O 3.23Å; Y394-V545 VanDerWaalsContact CD2-O 3.3Å; Y394-V545 WeakPolarHBondContact CD2-O 3.33Å; L395-V545 HydrophobicContact CB-CG1 3.97Å; L395-V545 HydrophobicContact CD2-CG1 4.46Å; L395-V545 PolarHBondContact N-O 3.34Å; L395-V545 PolarHBondContact O-N 2.71Å; L523-V545 HydrophobicContact CD1-CG1 4.5Å; L523-V545 HydrophobicContact CD1-CG2 3.89Å; V527-V545 HydrophobicContact CG2-CB 4.41Å; V527-V545 HydrophobicContact CG2-CG2 3.95Å; F542-V545 HydrophobicContact CE2-CB 3.99Å; F542-V545 HydrophobicContact CE2-CG1 4.34Å; F542-V545 HydrophobicContact CZ-CB 3.72Å; F542-V545 HydrophobicContact CZ-CG1 3.74Å; V545-V547 HydrophobicContact CG2-CG1 4.01Å; V545-F572 HydrophobicContact CG2-CE1 4.03Å; V545-F572 HydrophobicContact CG2-CZ 4.14Å; V545-Y588 WeakPolarHBondContact CA-O 3.43Å; V545-Y588 WeakPolarHBondContact CG2-O 3.49Å; V545-V589 HydrophobicContact CB-CG2 4.12Å; V545-V589 HydrophobicContact CG2-CG2 3.74Å
546K98.6Very high96.7Very high0 Ų036 Ų360%021%0.209CC..EExtended strand (participates in β ladder)trans-129.6135.2169.1179.771.5-171-164.40109.1E392 Q393 Y394 V465 L467 A587 Y588E392-K546 WeakPolarHBondContact OE2-CE 3.28Å; E392-K546 IonicContact OE2-NZ 3.81Å; E392-K546 PolarHBondContact OE2-NZ 2.75Å; Q393-K546 CarbonylContact O-C 3.13Å; Q393-K546 VanDerWaalsContact O-CA 3.31Å; Q393-K546 WeakPolarHBondContact O-CA 3.32Å; Y394-K546 HydrophobicContact CD2-CB 4.12Å; Y394-K546 HydrophobicContact CD2-CD 4.3Å; V465-K546 HydrophobicContact CB-CD 4.28Å; V465-K546 HydrophobicContact CG1-CD 4.14Å; V465-K546 HydrophobicContact CG1-CG 4.43Å; V465-K546 WeakPolarHBondContact O-CE 3.44Å; V465-K546 PolarHBondContact O-NZ 3.13Å; L467-K546 HydrophobicContact CD2-CG 3.97Å; K546-A587 CarbonylContact O-C 3.59Å; K546-A587 WeakPolarHBondContact O-CA 3.31Å; K546-Y588 HydrophobicContact CB-CD1 4.19Å; K546-Y588 HydrophobicContact CB-CD2 4.42Å; K546-Y588 HydrophobicContact CB-CE1 3.61Å; K546-Y588 HydrophobicContact CB-CE2 3.86Å; K546-Y588 VanDerWaalsContact CB-CZ 3.42Å; K546-Y588 HydrophobicContact CG-CE1 3.95Å; K546-Y588 PolarHBondContact N-O 3.2Å; K546-Y588 PolarHBondContact O-N 3.16Å
547V98.6Very high97Very high0 Ų033.6 Ų33.60%020%0.195CC..EExtended strand (participates in β ladder)trans-143158.4175.9-55.30000113E392 Q393 L523 V545 F549 F572 I584 A587E392-V547 VanDerWaalsContact CA-O 3.22Å; E392-V547 WeakPolarHBondContact CA-O 3.34Å; E392-V547 VanDerWaalsContact CB-O 3.31Å; E392-V547 WeakPolarHBondContact CB-O 3.42Å; Q393-V547 HydrophobicContact CB-CG2 4.03Å; Q393-V547 PolarHBondContact N-O 3.16Å; Q393-V547 VanDerWaalsContact N-O 3.08Å; Q393-V547 PolarHBondContact O-N 2.73Å; L523-V547 HydrophobicContact CD1-CB 4.47Å; L523-V547 HydrophobicContact CD1-CG1 3.5Å; L523-V547 HydrophobicContact CD1-CG2 4.12Å; L523-V547 HydrophobicContact CD2-CG2 4.39Å; V545-V547 HydrophobicContact CG2-CG1 4.01Å; V547-F549 HydrophobicContact CG2-CE1 3.95Å; V547-F549 HydrophobicContact CG2-CE2 3.83Å; V547-F549 HydrophobicContact CG2-CZ 3.52Å; V547-F572 HydrophobicContact CG1-CE1 4.16Å; V547-F572 HydrophobicContact CG1-CE2 4.07Å; V547-F572 HydrophobicContact CG1-CZ 3.38Å; V547-I584 HydrophobicContact CB-CG2 3.89Å; V547-I584 HydrophobicContact CG1-CG2 3.96Å; V547-A587 HydrophobicContact CB-CB 4.04Å; V547-A587 HydrophobicContact CG1-CB 3.66Å
548R98Very high97.2Very high113 Ų11334.3 Ų34.343%0.42620%0.199SC..EExtended strand (participates in β ladder)trans-111.7134158175.3174.8-72.2-125.10.3109.9G391 E392 L467 I584 S585G391-R548 WeakPolarHBondContact O-CA 3.48Å; E392-R548 HydrophobicContact CG-CB 4.31Å; E392-R548 HydrophobicContact CG-CG 4.49Å; E392-R548 IonicContact OE1-CZ 2.91Å; E392-R548 IonicContact OE1-NE 2.73Å; E392-R548 PolarHBondContact OE1-NE 3.42Å; E392-R548 IonicContact OE1-NH2 3.85Å; E392-R548 PolarHBondContact OE1-NH2 3.24Å; L467-R548 HydrophobicContact CD1-CB 3.82Å; L467-R548 HydrophobicContact CD1-CG 4.49Å; L467-R548 HydrophobicContact CD2-CB 3.82Å; R548-I584 WeakPolarHBondContact O-CA 3.49Å; R548-S585 WeakPolarHBondContact CB-O 2.75Å; R548-S585 PolarHBondContact N-O 2.83Å; R548-S585 PolarHBondContact O-N 3.47Å
549F97.2Very high97.3Very high32 Ų3231.2 Ų31.214%0.1418%0.182CC..EExtended strand (participates in β ladder)trans-84.1111.6168.9-57.7-71.1000108.6H390 G391 Q393 G519 L520 L523 V547 I584H390-F549 AromaticContact CD2-CD2 3.68Å; H390-F549 AromaticContact CD2-CE2 3.37Å; H390-F549 WeakPolarHBondContact CD2-CE2 3.15Å; H390-F549 AromaticContact NE2-CE2 3.98Å; H390-F549 VanDerWaalsContact O-CD2 3.32Å; H390-F549 WeakPolarHBondContact O-CD2 3.24Å; G391-F549 PolarHBondContact O-N 3.16Å; Q393-F549 HydrophobicContact CB-CE2 3.89Å; Q393-F549 HydrophobicContact CB-CZ 4.2Å; G519-F549 WeakPolarHBondContact O-CE1 3.21Å; L520-F549 HydrophobicContact CD2-CE2 4.43Å; L520-F549 HydrophobicContact CD2-CZ 3.94Å; L523-F549 HydrophobicContact CB-CE1 4.13Å; L523-F549 HydrophobicContact CB-CZ 4.26Å; L523-F549 HydrophobicContact CD2-CZ 4.37Å; V547-F549 HydrophobicContact CG2-CE1 3.95Å; V547-F549 HydrophobicContact CG2-CE2 3.83Å; V547-F549 HydrophobicContact CG2-CZ 3.52Å; F549-I584 HydrophobicContact CD1-CD1 4.5Å; F549-I584 HydrophobicContact CD1-CG1 4.18Å; F549-I584 HydrophobicContact CE1-CD1 4.23Å; F549-I584 HydrophobicContact CE1-CG1 4.38Å
550S95.5Very high97.5Very high55 Ų5533.6 Ų33.639%0.38519%0.189SC..  trans-104.6-11.5-173.156.10000113.9E582 V583 I584S550-E582 VanDerWaalsContact OG-C 3.29Å; S550-E582 PolarHBondContact OG-O 3.43Å; S550-V583 PolarHBondContact N-O 2.94Å; S550-V583 WeakPolarHBondContact OG-CA 3.13Å; S550-V583 PolarHBondContact OG-N 2.89Å; S550-V583 PolarHBondContact OG-O 2.58Å; S550-I584 PolarHBondContact OG-N 2.65Å
551G94.7Very high97.7Very high31 Ų3131.1 Ų31.132%0.3217%0.169SC..SBendtrans-171.7164.717900000113.4
552P95.4Very high97.8Very high67 Ų6730.3 Ų30.344%0.43517%0.165SC..  trans-79.8156.3179.235.3-38.2000112F512 I516 V583F512-P552 HydrophobicContact CE1-CB 3.91Å; F512-P552 HydrophobicContact CE1-CG 3.91Å; I516-P552 HydrophobicContact CB-CB 4.33Å; I516-P552 HydrophobicContact CD1-CB 3.92Å; I516-P552 HydrophobicContact CG2-CB 4.04Å; P552-V583 WeakPolarHBondContact O-CG1 3.24Å
553V98Very high97.8Very high1 Ų130.3 Ų30.31%0.00616%0.164CC..  trans-117.8136.6168.9176.10000107.6I516 L517 T522 Q557 L559 V576 V583I516-V553 CarbonylContact C-O 3.43Å; I516-V553 WeakPolarHBondContact CA-O 3.4Å; L517-V553 HydrophobicContact CB-CB 4.01Å; L517-V553 HydrophobicContact CB-CG1 4.19Å; L517-V553 WeakPolarHBondContact CB-O 3.4Å; L517-V553 HydrophobicContact CD2-CB 4.28Å; L517-V553 HydrophobicContact CD2-CG1 3.93Å; L517-V553 PolarHBondContact N-O 2.77Å; T522-V553 HydrophobicContact CG2-CG2 4.2Å; V553-Q557 HydrophobicContact CG1-CB 4.39Å; V553-L559 HydrophobicContact CB-CD2 4.48Å; V553-L559 HydrophobicContact CG1-CD2 3.85Å; V553-L559 HydrophobicContact CG2-CD2 3.76Å; V553-V576 HydrophobicContact CG1-CG2 4.42Å; V553-V576 HydrophobicContact CG2-CG2 3.91Å; V553-V583 HydrophobicContact CG2-CB 3.92Å; V553-V583 HydrophobicContact CG2-CG1 3.83Å; V553-V583 HydrophobicContact CG2-CG2 3.75Å
554I97.8Very high97.9Very high73 Ų7326 Ų2637%0.37415%0.146SC..  trans-91.7129.5171.5-57.3175000107.6G556 Q557I554-G556 PolarHBondContact O-N 2.82Å; I554-Q557 HydrophobicContact CB-CG 4.12Å; I554-Q557 VanDerWaalsContact O-CB 3.22Å; I554-Q557 WeakPolarHBondContact O-CB 3.34Å; I554-Q557 VanDerWaalsContact O-CG 3.29Å; I554-Q557 WeakPolarHBondContact O-CG 3.29Å; I554-Q557 PolarHBondContact O-N 2.73Å; I554-Q557 VanDerWaalsContact O-N 3.09Å
555P97.9Very high97.8Very high24 Ų2427.7 Ų27.716%0.15615%0.153CC..THydrogen-bonded Turntrans-51.1140.2173.1-26.535.7000111.8S484 E485 A488 P515 L517S484-P555 WeakPolarHBondContact O-CB 3.48Å; E485-P555 VanDerWaalsContact O-CB 3.23Å; E485-P555 WeakPolarHBondContact O-CB 3.47Å; A488-P555 HydrophobicContact CB-CG 3.95Å; P515-P555 WeakPolarHBondContact O-CD 3.4Å; L517-P555 HydrophobicContact CB-CG 4.4Å
556G97.7Very high97.5Very high27 Ų2731.9 Ų31.928%0.27817%0.172SC..THydrogen-bonded Turntrans95.5-19.7-170.800000114T483 S484 I554T483-G556 WeakPolarHBondContact O-CA 3.34Å; T483-G556 PolarHBondContact O-N 3.4Å; T483-G556 PolarHBondContact OG1-N 3.05Å; S484-G556 PolarHBondContact O-N 3.48Å; S484-G556 VanDerWaalsContact O-N 3.13Å; I554-G556 PolarHBondContact O-N 2.82Å
557Q98.4Very high97.3Very high29 Ų2934.4 Ų34.414%0.13620%0.198CC..PPolyproline II helixtrans-75158.5177.2-70.1-176.4-38.700112.8T483 V553 I554 V576T483-Q557 PolarHBondContact N-O 3.48Å; T483-Q557 PolarHBondContact OG1-N 3.39Å; T483-Q557 PolarHBondContact OG1-O 2.73Å; V553-Q557 HydrophobicContact CG1-CB 4.39Å; I554-Q557 HydrophobicContact CB-CG 4.12Å; I554-Q557 VanDerWaalsContact O-CB 3.22Å; I554-Q557 WeakPolarHBondContact O-CB 3.34Å; I554-Q557 VanDerWaalsContact O-CG 3.29Å; I554-Q557 WeakPolarHBondContact O-CG 3.29Å; I554-Q557 PolarHBondContact O-N 2.73Å; I554-Q557 VanDerWaalsContact O-N 3.09Å; Q557-V576 HydrophobicContact CB-CG1 4.07Å; Q557-V576 HydrophobicContact CG-CG1 4.2Å
558T98.7Very high97.2Very high17 Ų1737.6 Ų37.610%0.10422%0.218CC..EExtended strand (participates in β ladder)trans-96.4120.2179.3-52.30000111Q480 Y481 T482 V576 V577 E578Q480-T558 HydrophobicContact CB-CG2 4.24Å; Y481-T558 CarbonylContact O-C 3.35Å; Y481-T558 WeakPolarHBondContact O-CA 3.4Å; T482-T558 PolarHBondContact OG1-OG1 2.89Å; T558-V576 WeakPolarHBondContact O-CA 3.37Å; T558-V577 HydrophobicContact CG2-CB 4.37Å; T558-V577 HydrophobicContact CG2-CG2 3.82Å; T558-V577 PolarHBondContact O-N 3.02Å; T558-E578 WeakPolarHBondContact CB-OE1 3.37Å; T558-E578 VanDerWaalsContact N-CD 3.32Å; T558-E578 PolarHBondContact N-OE1 2.85Å; T558-E578 PolarHBondContact N-OE2 2.96Å; T558-E578 PolarHBondContact OG1-OE1 3.49Å
559L98.7Very high97.1Very high0 Ų035.6 Ų35.60%021%0.211CC..EExtended strand (participates in β ladder)trans-86121.8173.1-59.1178.4000109.4Q480 Y481 T483 T522 F525 V553 T574 V576 V583Q480-L559 CarbonylContact C-O 3.57Å; Q480-L559 VanDerWaalsContact CA-O 3.23Å; Q480-L559 WeakPolarHBondContact CA-O 3.01Å; Y481-L559 PolarHBondContact N-O 3.47Å; Y481-L559 PolarHBondContact O-N 3.35Å; T483-L559 HydrophobicContact CG2-CD1 3.92Å; T483-L559 HydrophobicContact CG2-CG 4.13Å; T522-L559 HydrophobicContact CG2-CD1 4Å; T522-L559 HydrophobicContact CG2-CD2 4.05Å; F525-L559 HydrophobicContact CB-CD1 3.87Å; F525-L559 HydrophobicContact CD2-CD1 4.06Å; F525-L559 HydrophobicContact CG-CD1 3.92Å; V553-L559 HydrophobicContact CB-CD2 4.48Å; V553-L559 HydrophobicContact CG1-CD2 3.85Å; V553-L559 HydrophobicContact CG2-CD2 3.76Å; L559-T574 HydrophobicContact CB-CG2 4.07Å; L559-T574 HydrophobicContact CD2-CG2 4.05Å; L559-T574 HydrophobicContact CG-CG2 4.5Å; L559-V576 HydrophobicContact CD2-CG2 4.42Å; L559-V583 HydrophobicContact CD2-CG2 4.5Å
560R98.6Very high97.2Very high68 Ų6834.1 Ų34.126%0.25720%0.204SC..EExtended strand (participates in β ladder)trans-102120.4166.2-172.6-174.386.7-142.4-5.1109.5T478 V479 Q480 D562 T574 V575 V577T478-R560 HydrophobicContact CG2-CG 3.38Å; V479-R560 CarbonylContact O-C 3.55Å; V479-R560 WeakPolarHBondContact O-CA 3.35Å; Q480-R560 HydrophobicContact CG-CB 4.06Å; Q480-R560 HydrophobicContact CG-CG 3.92Å; R560-D562 IonicContact CZ-OD1 3.61Å; R560-D562 IonicContact CZ-OD2 2.97Å; R560-D562 IonicContact NE-OD1 2.73Å; R560-D562 PolarHBondContact NE-OD1 2.59Å; R560-D562 IonicContact NE-OD2 3.45Å; R560-D562 PolarHBondContact NE-OD2 3.29Å; R560-D562 IonicContact NH2-OD1 2.75Å; R560-D562 IonicContact NH2-OD2 3.47Å; R560-D562 PolarHBondContact NH2-OD2 3.25Å; R560-T574 CarbonylContact O-C 3.55Å; R560-T574 WeakPolarHBondContact O-CA 3.35Å; R560-V575 PolarHBondContact N-O 2.86Å; R560-V575 PolarHBondContact O-N 2.85Å; R560-V577 HydrophobicContact CB-CG2 3.73Å
561V98.6Very high97.3Very high0 Ų031.5 Ų31.50%019%0.186CC..EExtended strand (participates in β ladder)trans-104.9109.7178.2-166.40000108.2T478 V479 A529 L563 F572 R573 T574T478-V561 WeakPolarHBondContact CA-O 3.48Å; V479-V561 PolarHBondContact N-O 3.23Å; V479-V561 PolarHBondContact O-N 3.06Å; A529-V561 HydrophobicContact CB-CB 3.96Å; A529-V561 HydrophobicContact CB-CG1 3.93Å; A529-V561 HydrophobicContact CB-CG2 4.13Å; V561-L563 HydrophobicContact CG1-CD2 3.59Å; V561-L563 HydrophobicContact CG1-CG 4.31Å; V561-F572 HydrophobicContact CG1-CB 4.37Å; V561-F572 HydrophobicContact CG1-CD2 4.33Å; V561-R573 WeakPolarHBondContact CA-O 3.26Å; V561-T574 HydrophobicContact CG2-CG2 4.23Å
562D98.6Very high97.5Very high3 Ų330.1 Ų30.12%0.01617%0.171CC..EExtended strand (participates in β ladder)trans-92.6133174.8-62.8-28.9000108.4P475 T478 R560 W564 F572 R573P475-D562 HydrophobicContact CB-CB 4.05Å; P475-D562 HydrophobicContact CG-CB 3.73Å; T478-D562 WeakPolarHBondContact CG2-OD1 3.4Å; T478-D562 PolarHBondContact OG1-OD1 3.42Å; R560-D562 IonicContact CZ-OD1 3.61Å; R560-D562 IonicContact CZ-OD2 2.97Å; R560-D562 IonicContact NE-OD1 2.73Å; R560-D562 PolarHBondContact NE-OD1 2.59Å; R560-D562 IonicContact NE-OD2 3.45Å; R560-D562 PolarHBondContact NE-OD2 3.29Å; R560-D562 IonicContact NH2-OD1 2.75Å; R560-D562 IonicContact NH2-OD2 3.47Å; R560-D562 PolarHBondContact NH2-OD2 3.25Å; D562-W564 HydrophobicContact CB-CH2 3.47Å; D562-W564 VanDerWaalsContact CB-CH2 3.47Å; D562-W564 HydrophobicContact CB-CZ2 4.3Å; D562-W564 HydrophobicContact CB-CZ3 3.69Å; D562-W564 WeakPolarHBondContact O-CZ3 3.18Å; D562-F572 WeakPolarHBondContact O-CA 3.44Å; D562-F572 WeakPolarHBondContact O-CB 3.29Å; D562-R573 HydrophobicContact CB-CG 3.93Å; D562-R573 PolarHBondContact N-O 2.82Å; D562-R573 PolarHBondContact O-N 2.85Å; D562-R573 IonicContact OD2-CZ 2.71Å; D562-R573 VanDerWaalsContact OD2-CZ 3.3Å; D562-R573 IonicContact OD2-NE 3.58Å; D562-R573 PolarHBondContact OD2-NE 2.81Å; D562-R573 IonicContact OD2-NH2 3.34Å; D562-R573 PolarHBondContact OD2-NH2 2.96Å
563L98.5Very high97.6Very high0 Ų030.4 Ų30.40%016%0.163CC..EExtended strand (participates in β ladder)trans-126.3135.6-169.5-53.6173.1000111.5P475 D476 A477 V479 A529 V530 Q533 F534 V561 I570 N571 F572P475-L563 CarbonylContact C-O 3.57Å; P475-L563 WeakPolarHBondContact CA-O 3.18Å; D476-L563 PolarHBondContact N-O 2.95Å; A477-L563 HydrophobicContact CB-CB 4.38Å; A477-L563 HydrophobicContact CB-CD1 4.3Å; A477-L563 PolarHBondContact N-O 3.16Å; A477-L563 WeakPolarHBondContact O-CB 3.4Å; A477-L563 PolarHBondContact O-N 3.07Å; V479-L563 HydrophobicContact CG2-CD1 4.23Å; A529-L563 HydrophobicContact CB-CD1 4.31Å; V530-L563 HydrophobicContact CG2-CD2 3.72Å; Q533-L563 HydrophobicContact CB-CD1 4.06Å; Q533-L563 HydrophobicContact CG-CD1 4.28Å; F534-L563 HydrophobicContact CD2-CD1 4.4Å; F534-L563 HydrophobicContact CE2-CB 3.76Å; F534-L563 HydrophobicContact CE2-CD1 3.71Å; F534-L563 HydrophobicContact CE2-CG 4.29Å; F534-L563 HydrophobicContact CZ-CB 4.25Å; V561-L563 HydrophobicContact CG1-CD2 3.59Å; V561-L563 HydrophobicContact CG1-CG 4.31Å; L563-I570 HydrophobicContact CB-CG2 4.29Å; L563-I570 HydrophobicContact CD2-CG2 4.43Å; L563-N571 WeakPolarHBondContact CA-O 3.31Å; L563-F572 HydrophobicContact CD2-CB 3.53Å
564W98.3Very high97.7Very high4 Ų430.3 Ų30.32%0.01516%0.163CC..EExtended strand (participates in β ladder)trans-127.8118.2175.1-61.3-103.3000110.8A470 P471 R473 Q474 P475 D476 D562 I570 N571 R573A470-W564 HydrophobicContact CB-CE3 4.37Å; A470-W564 HydrophobicContact CB-CH2 4.11Å; A470-W564 HydrophobicContact CB-CZ2 4.47Å; A470-W564 HydrophobicContact CB-CZ3 4.05Å; P471-W564 HydrophobicContact CB-CG 4.2Å; P471-W564 HydrophobicContact CG-CB 3.73Å; P471-W564 HydrophobicContact CG-CG 3.83Å; R473-W564 PolarHBondContact O-NE1 2.9Å; Q474-W564 VanDerWaalsContact C-NE1 3.33Å; Q474-W564 PolarHBondContact O-NE1 3.16Å; P475-W564 HydrophobicContact CB-CD2 4.44Å; P475-W564 HydrophobicContact CB-CZ2 4.12Å; P475-W564 HydrophobicContact CG-CH2 4.12Å; P475-W564 HydrophobicContact CG-CZ2 3.6Å; D476-W564 VanDerWaalsContact OD2-CA 3.29Å; D476-W564 WeakPolarHBondContact OD2-CA 3.3Å; D562-W564 HydrophobicContact CB-CH2 3.47Å; D562-W564 VanDerWaalsContact CB-CH2 3.47Å; D562-W564 HydrophobicContact CB-CZ2 4.3Å; D562-W564 HydrophobicContact CB-CZ3 3.69Å; D562-W564 WeakPolarHBondContact O-CZ3 3.18Å; W564-I570 CarbonylContact O-C 3.59Å; W564-I570 WeakPolarHBondContact O-CA 3.15Å; W564-N571 HydrophobicContact CB-CB 4.33Å; W564-N571 PolarHBondContact N-O 2.72Å; W564-N571 PolarHBondContact O-N 3.05Å; W564-R573 HydrophobicContact CH2-CG 3.8Å; W564-R573 HydrophobicContact CZ3-CB 4.46Å; W564-R573 HydrophobicContact CZ3-CG 3.88Å
565K96.3Very high97.7Very high37 Ų3727.2 Ų27.216%0.16115%0.147CC..EExtended strand (participates in β ladder)trans-82.4126.9176.3-177.3170.6-178.6174.30110.7R473 D476 F534 G567 I570 S594 A596R473-K565 PolarHBondContact NH2-O 2.98Å; R473-K565 VanDerWaalsContact NH2-O 3.16Å; D476-K565 PolarHBondContact OD2-N 2.91Å; F534-K565 HydrophobicContact CD1-CD 4.01Å; F534-K565 HydrophobicContact CE1-CB 4.04Å; F534-K565 HydrophobicContact CE1-CD 4.03Å; F534-K565 HydrophobicContact CZ-CB 4.34Å; K565-G567 VanDerWaalsContact CE-O 3.27Å; K565-G567 WeakPolarHBondContact CE-O 3.18Å; K565-I570 HydrophobicContact CB-CD1 3.84Å; K565-I570 HydrophobicContact CD-CD1 4.26Å; K565-I570 HydrophobicContact CG-CD1 3.66Å; K565-S594 VanDerWaalsContact CE-OG 3.29Å; K565-S594 WeakPolarHBondContact CE-OG 3.31Å; K565-S594 PolarHBondContact NZ-OG 2.78Å; K565-A596 PolarHBondContact NZ-O 2.93Å
566Q94.2Very high97.7Very high88 Ų8826.1 Ų26.141%0.41114%0.14SC..EExtended strand (participates in β ladder)trans-132.581.8174-64.9-166.783.900109T568 R569 N571Q566-T568 PolarHBondContact O-N 3.33Å; Q566-R569 CarbonylContact C-O 3.41Å; Q566-R569 WeakPolarHBondContact CA-O 3.22Å; Q566-R569 PolarHBondContact N-O 3.06Å; Q566-R569 PolarHBondContact O-N 3.08Å; Q566-R569 VanDerWaalsContact O-N 3.16Å; Q566-N571 PolarHBondContact NE2-OD1 3.32Å
567G93.5Very high97.8Very high53 Ų5327.8 Ų27.855%0.54615%0.145SC..THydrogen-bonded Turntrans66.4-122.8-171.100000111.1K565K565-G567 VanDerWaalsContact CE-O 3.27Å; K565-G567 WeakPolarHBondContact CE-O 3.18Å
568T96Very high97.8Very high67 Ų6731.1 Ų31.141%0.41116%0.16SC..THydrogen-bonded Turntrans-87.9-6.9175.455.80000113.8Q566 L591Q566-T568 PolarHBondContact O-N 3.33Å; T568-L591 WeakPolarHBondContact CB-O 3.4Å; T568-L591 PolarHBondContact O-N 3.37Å
569R97.6Very high97.7Very high72 Ų7233.8 Ų33.827%0.27218%0.177SC..EExtended strand (participates in β ladder)trans-92.6130.8173.6-178.8166.2-70.5-169.2-6.7110.3Q566 Y588 D590Q566-R569 CarbonylContact C-O 3.41Å; Q566-R569 WeakPolarHBondContact CA-O 3.22Å; Q566-R569 PolarHBondContact N-O 3.06Å; Q566-R569 PolarHBondContact O-N 3.08Å; Q566-R569 VanDerWaalsContact O-N 3.16Å; R569-Y588 HydrophobicContact CG-CD2 4.34Å; R569-Y588 HydrophobicContact CG-CG 4.36Å; R569-D590 WeakPolarHBondContact CB-OD1 3.44Å; R569-D590 WeakPolarHBondContact CG-OD1 3.43Å; R569-D590 IonicContact CZ-OD1 3.49Å; R569-D590 IonicContact CZ-OD2 2.74Å; R569-D590 IonicContact NE-OD1 3.42Å; R569-D590 PolarHBondContact NE-OD1 2.91Å; R569-D590 IonicContact NE-OD2 3.9Å; R569-D590 IonicContact NH2-OD1 3.16Å; R569-D590 PolarHBondContact NH2-OD1 2.84Å; R569-D590 IonicContact NH2-OD2 3.41Å; R569-D590 PolarHBondContact NH2-OD2 2.85Å
570I98.1Very high97.6Very high0 Ų036.4 Ų36.40%020%0.204CC..EExtended strand (participates in β ladder)trans-112103.9174.6-47.4-57000107.9V530 F534 L563 W564 K565 Y588 V589 L591V530-I570 HydrophobicContact CG1-CB 4Å; V530-I570 HydrophobicContact CG1-CG1 3.93Å; V530-I570 HydrophobicContact CG1-CG2 4.17Å; V530-I570 HydrophobicContact CG2-CB 4.49Å; V530-I570 HydrophobicContact CG2-CG2 4.07Å; F534-I570 HydrophobicContact CB-CD1 4.21Å; F534-I570 HydrophobicContact CB-CG1 4.32Å; F534-I570 HydrophobicContact CD1-CD1 4.16Å; F534-I570 HydrophobicContact CD2-CB 4.48Å; F534-I570 HydrophobicContact CD2-CD1 3.96Å; F534-I570 HydrophobicContact CD2-CG1 3.97Å; F534-I570 HydrophobicContact CD2-CG2 3.73Å; F534-I570 HydrophobicContact CE2-CD1 4.36Å; F534-I570 HydrophobicContact CE2-CG2 3.62Å; F534-I570 HydrophobicContact CG-CD1 3.84Å; F534-I570 HydrophobicContact CG-CG1 4.18Å; F534-I570 HydrophobicContact CZ-CG2 4.48Å; L563-I570 HydrophobicContact CB-CG2 4.29Å; L563-I570 HydrophobicContact CD2-CG2 4.43Å; W564-I570 CarbonylContact O-C 3.59Å; W564-I570 WeakPolarHBondContact O-CA 3.15Å; K565-I570 HydrophobicContact CB-CD1 3.84Å; K565-I570 HydrophobicContact CD-CD1 4.26Å; K565-I570 HydrophobicContact CG-CD1 3.66Å; I570-Y588 CarbonylContact O-C 3.48Å; I570-Y588 WeakPolarHBondContact O-CA 3.16Å; I570-V589 PolarHBondContact N-O 2.68Å; I570-V589 PolarHBondContact O-N 2.87Å; I570-L591 HydrophobicContact CD1-CD1 4.49Å; I570-L591 HydrophobicContact CG1-CD1 4.02Å; I570-L591 HydrophobicContact CG1-CG 4.44Å
571N98.5Very high97.6Very high0 Ų040 Ų400%022%0.221CC..EExtended strand (participates in β ladder)trans-71.7146.5169.5-69.587.7000109.4Q468 P471 L563 W564 Q566 A587Q468-N571 PolarHBondContact OE1-ND2 3.03Å; P471-N571 HydrophobicContact CG-CB 4.49Å; L563-N571 WeakPolarHBondContact CA-O 3.31Å; W564-N571 HydrophobicContact CB-CB 4.33Å; W564-N571 PolarHBondContact N-O 2.72Å; W564-N571 PolarHBondContact O-N 3.05Å; Q566-N571 PolarHBondContact NE2-OD1 3.32Å; N571-A587 WeakPolarHBondContact CA-O 3.29Å
572F98.5Very high97.5Very high2 Ų243.9 Ų43.91%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-146.4160.7175.469.8-85000112.4L523 V530 V545 V547 V561 D562 L563 I584 A587 V589L523-F572 HydrophobicContact CD1-CZ 4.31Å; V530-F572 HydrophobicContact CG2-CD1 4.49Å; V545-F572 HydrophobicContact CG2-CE1 4.03Å; V545-F572 HydrophobicContact CG2-CZ 4.14Å; V547-F572 HydrophobicContact CG1-CE1 4.16Å; V547-F572 HydrophobicContact CG1-CE2 4.07Å; V547-F572 HydrophobicContact CG1-CZ 3.38Å; V561-F572 HydrophobicContact CG1-CB 4.37Å; V561-F572 HydrophobicContact CG1-CD2 4.33Å; D562-F572 WeakPolarHBondContact O-CA 3.44Å; D562-F572 WeakPolarHBondContact O-CB 3.29Å; L563-F572 HydrophobicContact CD2-CB 3.53Å; F572-I584 HydrophobicContact CD2-CG2 4.35Å; F572-I584 HydrophobicContact CE2-CG2 3.72Å; F572-I584 HydrophobicContact CZ-CG2 4.43Å; F572-A587 HydrophobicContact CD1-CB 3.98Å; F572-A587 HydrophobicContact CD2-CB 4.02Å; F572-A587 HydrophobicContact CE1-CB 3.71Å; F572-A587 HydrophobicContact CE2-CB 3.78Å; F572-A587 HydrophobicContact CG-CB 4.14Å; F572-A587 HydrophobicContact CZ-CB 3.65Å; F572-A587 PolarHBondContact N-O 2.77Å; F572-A587 WeakPolarHBondContact O-CB 2.95Å; F572-V589 HydrophobicContact CD1-CG2 4.27Å; F572-V589 HydrophobicContact CE1-CG2 3.8Å
573R98.2Very high97.5Very high73 Ų7343.9 Ų43.928%0.27524%0.239SC..EExtended strand (participates in β ladder)trans-135.8154.3163.569.6177.7178.7-159.5-7.6108.7V561 D562 W564 V575 E582 I584V561-R573 WeakPolarHBondContact CA-O 3.26Å; D562-R573 HydrophobicContact CB-CG 3.93Å; D562-R573 PolarHBondContact N-O 2.82Å; D562-R573 PolarHBondContact O-N 2.85Å; D562-R573 IonicContact OD2-CZ 2.71Å; D562-R573 VanDerWaalsContact OD2-CZ 3.3Å; D562-R573 IonicContact OD2-NE 3.58Å; D562-R573 PolarHBondContact OD2-NE 2.81Å; D562-R573 IonicContact OD2-NH2 3.34Å; D562-R573 PolarHBondContact OD2-NH2 2.96Å; W564-R573 HydrophobicContact CH2-CG 3.8Å; W564-R573 HydrophobicContact CZ3-CB 4.46Å; W564-R573 HydrophobicContact CZ3-CG 3.88Å; R573-V575 HydrophobicContact CG-CG2 4.46Å; R573-E582 VanDerWaalsContact CD-OE2 3.29Å; R573-E582 WeakPolarHBondContact CD-OE2 3.38Å; R573-I584 WeakPolarHBondContact CA-O 3.49Å
574T98.6Very high97.5Very high0 Ų043.9 Ų43.90%024%0.239CC..EExtended strand (participates in β ladder)trans-121.2129.7175.4-50.30000109.7T522 S526 L559 R560 V561 V583 I584T522-T574 HydrophobicContact CG2-CG2 3.97Å; S526-T574 PolarHBondContact OG-OG1 2.67Å; L559-T574 HydrophobicContact CB-CG2 4.07Å; L559-T574 HydrophobicContact CD2-CG2 4.05Å; L559-T574 HydrophobicContact CG-CG2 4.5Å; R560-T574 CarbonylContact O-C 3.55Å; R560-T574 WeakPolarHBondContact O-CA 3.35Å; V561-T574 HydrophobicContact CG2-CG2 4.23Å; T574-V583 HydrophobicContact CG2-CG2 3.9Å; T574-V583 WeakPolarHBondContact O-CG2 3.41Å; T574-V583 PolarHBondContact O-N 2.87Å; T574-I584 PolarHBondContact N-O 2.79Å; T574-I584 PolarHBondContact O-N 3.25Å
575V98.5Very high97.5Very high8 Ų844.6 Ų44.65%0.04825%0.245CC..EExtended strand (participates in β ladder)trans-124.3138.2-176.6177.10000108.9R560 R573 V577 K581 E582R560-V575 PolarHBondContact N-O 2.86Å; R560-V575 PolarHBondContact O-N 2.85Å; R573-V575 HydrophobicContact CG-CG2 4.46Å; V575-V577 PolarHBondContact O-N 3.39Å; V575-K581 WeakPolarHBondContact CA-O 3.49Å; V575-E582 HydrophobicContact CG2-CB 4.45Å
576V98.6Very high97.5Very high1 Ų143.7 Ų43.71%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-78.4116168.6169.70000108.5V553 Q557 T558 L559 E578 T579 G580 K581 V583V553-V576 HydrophobicContact CG1-CG2 4.42Å; V553-V576 HydrophobicContact CG2-CG2 3.91Å; Q557-V576 HydrophobicContact CB-CG1 4.07Å; Q557-V576 HydrophobicContact CG-CG1 4.2Å; T558-V576 WeakPolarHBondContact O-CA 3.37Å; L559-V576 HydrophobicContact CD2-CG2 4.42Å; V576-E578 VanDerWaalsContact C-N 3.3Å; V576-E578 HydrophobicContact CG1-CB 4.42Å; V576-E578 WeakPolarHBondContact CG1-OE2 3.27Å; V576-E578 PolarHBondContact O-N 3.49Å; V576-T579 HydrophobicContact CG1-CG2 4.08Å; V576-T579 WeakPolarHBondContact CG1-OG1 3.35Å; V576-T579 PolarHBondContact O-N 3.47Å; V576-G580 WeakPolarHBondContact O-CA 3.47Å; V576-G580 PolarHBondContact O-N 3.39Å; V576-K581 PolarHBondContact N-O 3.32Å; V576-V583 HydrophobicContact CG2-CG1 3.68Å; V576-V583 HydrophobicContact CG2-CG2 4.35Å
577V98.5Very high97.7Very high61 Ų6139.5 Ų39.537%0.3723%0.227SC..THydrogen-bonded Turntrans-58.2-43.7-174.3174.40000111.4T558 R560 V575 T579T558-V577 HydrophobicContact CG2-CB 4.37Å; T558-V577 HydrophobicContact CG2-CG2 3.82Å; T558-V577 PolarHBondContact O-N 3.02Å; R560-V577 HydrophobicContact CB-CG2 3.73Å; V575-V577 PolarHBondContact O-N 3.39Å; V577-T579 VanDerWaalsContact C-N 3.26Å; V577-T579 PolarHBondContact O-N 3.4Å
578E98.3Very high98Very high99 Ų9937.3 Ų37.346%0.46320%0.202SC..THydrogen-bonded Turntrans-67.4-25.7-173.7-62.379.9-177.500112.9T558 V576T558-E578 WeakPolarHBondContact CB-OE1 3.37Å; T558-E578 VanDerWaalsContact N-CD 3.32Å; T558-E578 PolarHBondContact N-OE1 2.85Å; T558-E578 PolarHBondContact N-OE2 2.96Å; T558-E578 PolarHBondContact OG1-OE1 3.49Å; V576-E578 VanDerWaalsContact C-N 3.3Å; V576-E578 HydrophobicContact CG1-CB 4.42Å; V576-E578 WeakPolarHBondContact CG1-OE2 3.27Å; V576-E578 PolarHBondContact O-N 3.49Å
579T97.1Very high98.1Very high73 Ų7334.1 Ų34.145%0.44818%0.182SC..THydrogen-bonded Turntrans-114.7-13.9-176.967.60000113.7V576 V577 K581V576-T579 HydrophobicContact CG1-CG2 4.08Å; V576-T579 WeakPolarHBondContact CG1-OG1 3.35Å; V576-T579 PolarHBondContact O-N 3.47Å; V577-T579 VanDerWaalsContact C-N 3.26Å; V577-T579 PolarHBondContact O-N 3.4Å; T579-K581 PolarHBondContact O-N 3.32Å; T579-K581 WeakPolarHBondContact OG1-CB 3.44Å; T579-K581 PolarHBondContact OG1-N 3.37Å
580G97.3Very high98.1Very high55 Ų5531.9 Ų31.957%0.56718%0.176SC*.  trans67.15-171.200000114.5V576V576-G580 WeakPolarHBondContact O-CA 3.47Å; V576-G580 PolarHBondContact O-N 3.39Å
581K97.8Very high98.1Very high145 Ų14532.1 Ų32.163%0.6318%0.177SC*.  trans-80134.8-176.2-67.3-177.4177.8-178.40111.7V575 V576 T579V575-K581 WeakPolarHBondContact CA-O 3.49Å; V576-K581 PolarHBondContact N-O 3.32Å; T579-K581 PolarHBondContact O-N 3.32Å; T579-K581 WeakPolarHBondContact OG1-CB 3.44Å; T579-K581 PolarHBondContact OG1-N 3.37Å
582E97.7Very high97.9Very high81 Ų8137 Ų3738%0.37920%0.198SC..EExtended strand (participates in β ladder)trans-76.5123.5171.8-171.5174.382.500110.6S550 R573 V575 I584 S585S550-E582 VanDerWaalsContact OG-C 3.29Å; S550-E582 PolarHBondContact OG-O 3.43Å; R573-E582 VanDerWaalsContact CD-OE2 3.29Å; R573-E582 WeakPolarHBondContact CD-OE2 3.38Å; V575-E582 HydrophobicContact CG2-CB 4.45Å; E582-I584 WeakPolarHBondContact CG-O 3.4Å; E582-S585 WeakPolarHBondContact OE1-CB 3.39Å
583V98.1Very high97.3Very high3 Ų339.2 Ų39.22%0.01821%0.214CC..EExtended strand (participates in β ladder)trans-110.7-23.3-177.1-650000113.2T522 S550 P552 V553 L559 T574 V576T522-V583 HydrophobicContact CG2-CG2 4.07Å; S550-V583 PolarHBondContact N-O 2.94Å; S550-V583 WeakPolarHBondContact OG-CA 3.13Å; S550-V583 PolarHBondContact OG-N 2.89Å; S550-V583 PolarHBondContact OG-O 2.58Å; P552-V583 WeakPolarHBondContact O-CG1 3.24Å; V553-V583 HydrophobicContact CG2-CB 3.92Å; V553-V583 HydrophobicContact CG2-CG1 3.83Å; V553-V583 HydrophobicContact CG2-CG2 3.75Å; L559-V583 HydrophobicContact CD2-CG2 4.5Å; T574-V583 HydrophobicContact CG2-CG2 3.9Å; T574-V583 WeakPolarHBondContact O-CG2 3.41Å; T574-V583 PolarHBondContact O-N 2.87Å; V576-V583 HydrophobicContact CG2-CG1 3.68Å; V576-V583 HydrophobicContact CG2-CG2 4.35Å
584I98.3Very high95.8Very high0 Ų037.6 Ų37.60%021%0.214CC..EExtended strand (participates in β ladder)trans-128.6128.9167-66.6178.5000109.1T522 L523 V547 R548 F549 S550 F572 R573 T574 E582 A587T522-I584 HydrophobicContact CG2-CD1 3.67Å; T522-I584 HydrophobicContact CG2-CG1 4.12Å; L523-I584 HydrophobicContact CB-CD1 4.35Å; V547-I584 HydrophobicContact CB-CG2 3.89Å; V547-I584 HydrophobicContact CG1-CG2 3.96Å; R548-I584 WeakPolarHBondContact O-CA 3.49Å; F549-I584 HydrophobicContact CD1-CD1 4.5Å; F549-I584 HydrophobicContact CD1-CG1 4.18Å; F549-I584 HydrophobicContact CE1-CD1 4.23Å; F549-I584 HydrophobicContact CE1-CG1 4.38Å; S550-I584 PolarHBondContact OG-N 2.65Å; F572-I584 HydrophobicContact CD2-CG2 4.35Å; F572-I584 HydrophobicContact CE2-CG2 3.72Å; F572-I584 HydrophobicContact CZ-CG2 4.43Å; R573-I584 WeakPolarHBondContact CA-O 3.49Å; T574-I584 PolarHBondContact N-O 2.79Å; T574-I584 PolarHBondContact O-N 3.25Å; E582-I584 WeakPolarHBondContact CG-O 3.4Å; I584-A587 HydrophobicContact CG2-CB 3.67Å
585S97.8Very high93.9Very high19 Ų1944.5 Ų44.513%0.13325%0.246CC..EExtended strand (participates in β ladder)trans-136.6168.3-176.875.30000112.6R548 E582 A587R548-S585 WeakPolarHBondContact CB-O 2.75Å; R548-S585 PolarHBondContact N-O 2.83Å; R548-S585 PolarHBondContact O-N 3.47Å; E582-S585 WeakPolarHBondContact OE1-CB 3.39Å; S585-A587 PolarHBondContact O-N 2.84Å
586G97.3Very high91.6Very high17 Ų1745.6 Ų45.618%0.17526%0.256CS..EExtended strand (participates in β ladder)trans59.322.4177.700000114.1L467 Q468L467-G586 VanDerWaalsContact CD2-O 3.3Å; L467-G586 WeakPolarHBondContact CD2-O 3.33Å; Q468-G586 PolarHBondContact N-O 2.86Å; Q468-G586 CarbonylContact O-C 3.57Å; Q468-G586 WeakPolarHBondContact O-CA 3.43Å
587A98.5Very high89Confident1 Ų155.3 Ų55.31%0.00830%0.298CS..EExtended strand (participates in β ladder)trans-103.2149.2-158.900000113.4K546 V547 N571 F572 I584 S585K546-A587 CarbonylContact O-C 3.59Å; K546-A587 WeakPolarHBondContact O-CA 3.31Å; V547-A587 HydrophobicContact CB-CB 4.04Å; V547-A587 HydrophobicContact CG1-CB 3.66Å; N571-A587 WeakPolarHBondContact CA-O 3.29Å; F572-A587 HydrophobicContact CD1-CB 3.98Å; F572-A587 HydrophobicContact CD2-CB 4.02Å; F572-A587 HydrophobicContact CE1-CB 3.71Å; F572-A587 HydrophobicContact CE2-CB 3.78Å; F572-A587 HydrophobicContact CG-CB 4.14Å; F572-A587 HydrophobicContact CZ-CB 3.65Å; F572-A587 PolarHBondContact N-O 2.77Å; F572-A587 WeakPolarHBondContact O-CB 2.95Å; I584-A587 HydrophobicContact CG2-CB 3.67Å; S585-A587 PolarHBondContact O-N 2.84Å
588Y98.6Very high86.1Confident7 Ų760 Ų603%0.02732%0.32CS..EExtended strand (participates in β ladder)trans-154.2151.9174.158-90.3000112.5V465 P466 Q468 V545 K546 R569 I570V465-Y588 WeakPolarHBondContact CG1-OH 3.48Å; P466-Y588 WeakPolarHBondContact O-CE1 3.39Å; P466-Y588 PolarHBondContact O-OH 3.2Å; Q468-Y588 HydrophobicContact CB-CD1 3.71Å; Q468-Y588 HydrophobicContact CB-CE1 3.97Å; V545-Y588 WeakPolarHBondContact CA-O 3.43Å; V545-Y588 WeakPolarHBondContact CG2-O 3.49Å; K546-Y588 HydrophobicContact CB-CD1 4.19Å; K546-Y588 HydrophobicContact CB-CD2 4.42Å; K546-Y588 HydrophobicContact CB-CE1 3.61Å; K546-Y588 HydrophobicContact CB-CE2 3.86Å; K546-Y588 VanDerWaalsContact CB-CZ 3.42Å; K546-Y588 HydrophobicContact CG-CE1 3.95Å; K546-Y588 PolarHBondContact N-O 3.2Å; K546-Y588 PolarHBondContact O-N 3.16Å; R569-Y588 HydrophobicContact CG-CD2 4.34Å; R569-Y588 HydrophobicContact CG-CG 4.36Å; I570-Y588 CarbonylContact O-C 3.48Å; I570-Y588 WeakPolarHBondContact O-CA 3.16Å
589V98.5Very high85.5Confident0 Ų058 Ų580%031%0.313CS..EExtended strand (participates in β ladder)trans-112.1129.5165173.60000108.3V527 V530 F542 A544 V545 I570 F572 L591V527-V589 HydrophobicContact CG2-CG2 4.16Å; V530-V589 HydrophobicContact CB-CB 4.49Å; V530-V589 HydrophobicContact CB-CG2 4.23Å; V530-V589 HydrophobicContact CG1-CB 3.92Å; V530-V589 HydrophobicContact CG1-CG1 3.91Å; V530-V589 HydrophobicContact CG1-CG2 4.2Å; V530-V589 HydrophobicContact CG2-CB 4.35Å; V530-V589 HydrophobicContact CG2-CG2 3.94Å; F542-V589 HydrophobicContact CD2-CG1 3.8Å; F542-V589 HydrophobicContact CE2-CG1 3.78Å; F542-V589 HydrophobicContact CE2-CG2 4.4Å; A544-V589 CarbonylContact O-C 3.6Å; A544-V589 VanDerWaalsContact O-CA 3.31Å; A544-V589 WeakPolarHBondContact O-CA 3.49Å; V545-V589 HydrophobicContact CB-CG2 4.12Å; V545-V589 HydrophobicContact CG2-CG2 3.74Å; I570-V589 PolarHBondContact N-O 2.68Å; I570-V589 PolarHBondContact O-N 2.87Å; F572-V589 HydrophobicContact CD1-CG2 4.27Å; F572-V589 HydrophobicContact CE1-CG2 3.8Å; V589-L591 HydrophobicContact CG1-CD2 3.87Å; V589-L591 HydrophobicContact CG1-CG 4.44Å
590D98.3Very high84.9Confident25 Ų2557.2 Ų57.213%0.13431%0.306CS..EExtended strand (participates in β ladder)trans-92.3130.4166.2-73.3-38.4000109.8K543 A544 R569K543-D590 WeakPolarHBondContact CA-O 3.31Å; K543-D590 HydrophobicContact CB-CB 4.31Å; K543-D590 VanDerWaalsContact CB-O 3.31Å; K543-D590 WeakPolarHBondContact CB-O 3.39Å; K543-D590 PolarHBondContact N-O 3.16Å; A544-D590 HydrophobicContact CB-CB 4.41Å; A544-D590 PolarHBondContact N-O 2.96Å; A544-D590 PolarHBondContact O-N 2.84Å; R569-D590 WeakPolarHBondContact CB-OD1 3.44Å; R569-D590 WeakPolarHBondContact CG-OD1 3.43Å; R569-D590 IonicContact CZ-OD1 3.49Å; R569-D590 IonicContact CZ-OD2 2.74Å; R569-D590 IonicContact NE-OD1 3.42Å; R569-D590 PolarHBondContact NE-OD1 2.91Å; R569-D590 IonicContact NE-OD2 3.9Å; R569-D590 IonicContact NH2-OD1 3.16Å; R569-D590 PolarHBondContact NH2-OD1 2.84Å; R569-D590 IonicContact NH2-OD2 3.41Å; R569-D590 PolarHBondContact NH2-OD2 2.85Å
591L97.6Very high84.2Confident4 Ų457.3 Ų57.32%0.02129%0.291CS..EExtended strand (participates in β ladder)trans-102.7148.3172.3-57.9176.7000110.1F534 A535 L541 T568 I570 V589 S593F534-L591 HydrophobicContact CB-CD1 3.93Å; A535-L591 HydrophobicContact CB-CD2 4.46Å; L541-L591 CarbonylContact O-C 3.56Å; L541-L591 VanDerWaalsContact O-CA 3.22Å; L541-L591 WeakPolarHBondContact O-CA 3.37Å; T568-L591 WeakPolarHBondContact CB-O 3.4Å; T568-L591 PolarHBondContact O-N 3.37Å; I570-L591 HydrophobicContact CD1-CD1 4.49Å; I570-L591 HydrophobicContact CG1-CD1 4.02Å; I570-L591 HydrophobicContact CG1-CG 4.44Å; V589-L591 HydrophobicContact CG1-CD2 3.87Å; V589-L591 HydrophobicContact CG1-CG 4.44Å; L591-S593 VanDerWaalsContact C-N 3.31Å; L591-S593 WeakPolarHBondContact CB-O 3.18Å
592K94.1Very high83.4Confident102 Ų10252.2 Ų52.244%0.44327%0.271SS..SBendtrans-65-37.6171.7-61.9-175.1-170.8166.40111.1A540 L541 F542 K543A540-K592 VanDerWaalsContact O-CD 3.32Å; A540-K592 WeakPolarHBondContact O-CD 3.35Å; A540-K592 WeakPolarHBondContact O-CE 3.22Å; A540-K592 PolarHBondContact O-NZ 2.82Å; L541-K592 PolarHBondContact O-N 2.72Å; F542-K592 WeakPolarHBondContact O-CE 3.47Å; K543-K592 HydrophobicContact CB-CG 4.01Å
593S84.9Confident82.5Confident49 Ų4950.4 Ų50.434%0.34326%0.264SS..  trans-150.9158.517072.90000109.9L541 L591L541-S593 WeakPolarHBondContact CD2-OG 3.21Å; L591-S593 VanDerWaalsContact C-N 3.31Å; L591-S593 WeakPolarHBondContact CB-O 3.18Å
594S66.6Low81.5Confident39 Ų3953.5 Ų53.527%0.27328%0.281SS..  trans-116.7109.817577.80000109.7K565K565-S594 VanDerWaalsContact CE-OG 3.29Å; K565-S594 WeakPolarHBondContact CE-OG 3.31Å; K565-S594 PolarHBondContact NZ-OG 2.78Å
595Q59.2Low80.3Confident146 Ų14657.4 Ų57.468%0.68230%0.301SS*.  trans-80.6-19.4-179.9-72.1-167.7-7.900113.7K597Q595-K597 PolarHBondContact O-N 3.03Å
596A51Low78.9Confident30 Ų3060.3 Ų60.325%0.24831%0.314CS..  trans-72.2111.2-177.800000112.2F534 K565F534-A596 HydrophobicContact CD1-CB 4.34Å; K565-A596 PolarHBondContact NZ-O 2.93Å
597K42.8Very low77.4Confident206 Ų20663.9 Ų63.990%0.89633%0.325SS*.  trans-76.3119.3151.6-69.7-177179.1179.60106Q595Q595-K597 PolarHBondContact O-N 3.03Å
598L38.8Very low75.5Confident158 Ų15869.6 Ų69.683%0.82735%0.354SS*.  trans-65.50170.2-78.4166.8000109.8D476D476-L598 HydrophobicContact CB-CD1 3.98Å

Retrieved 598 of 598 residues in 399.5 ms (Link to these results)

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