A0A096NLL4_PAPAN Loading...

Phosphomannomutase

Involved in the synthesis of the GDP-mannose and dolichol-phosphate-mannose required for a number of critical mannosyl transfer reactions.

AlphaFold DB , UniProt , Accession A0A096NLL4, Species PAPAN (Papio anubis, Olive baboon), Gene PMM2, Length 246 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.6Low87.1Confident211 Ų21149.4 Ų49.4100%1.03932%0.321SS*.  0131.90-72.9-158.5-84.100108.8
2A73.3Confident88.1Confident37 Ų3745.7 Ų45.731%0.30630%0.296SS..PPolyproline II helixtrans-60147.8177.100000112.7Y205 L244 F245A2-Y205 WeakPolarHBondContact CA-OH 3.33Å; A2-L244 WeakPolarHBondContact CB-O 3.44Å; A2-L244 PolarHBondContact N-O 3.47Å; A2-L244 VanDerWaalsContact N-O 3.11Å; A2-F245 HydrophobicContact CB-CD1 3.63Å; A2-F245 HydrophobicContact CB-CE1 3.5Å
3A73.6Confident88.8Confident45 Ų4542.5 Ų42.537%0.37228%0.275SS..PPolyproline II helixtrans-63.9144.3174.300000111.8Y205A3-Y205 PolarHBondContact N-OH 2.95Å
4P75.4Confident89.2Confident115 Ų11542.3 Ų42.375%0.74727%0.271SS*.SBendtrans-74.7130.1-175.326.8-32.8000113.5K202P4-K202 WeakPolarHBondContact O-CD 3.29Å
5G87.5Confident89.5Confident44 Ų4439.9 Ų39.945%0.45426%0.257SS..SBendtrans125.5-176.1172.600000113.3A7G5-A7 PolarHBondContact O-N 2.78Å
6P94.1Very high90.1Very high79 Ų7937.4 Ų37.451%0.51324%0.241SC..SBendtrans-58.2130.3177.1-22.533.1000110.6Y201 K202P6-Y201 HydrophobicContact CB-CD1 4.44Å; P6-Y201 CarbonylContact O-C 3.54Å; P6-Y201 WeakPolarHBondContact O-CA 3.44Å; P6-K202 PolarHBondContact O-N 2.93Å
7A97.1Very high90.6Very high12 Ų1235.2 Ų35.210%0.09923%0.227CC..EExtended strand (participates in β ladder)trans-139.7162.2-178.500000111.3G5 I39 T203 Y205G5-A7 PolarHBondContact O-N 2.78Å; A7-I39 HydrophobicContact CB-CD1 3.49Å; A7-I39 VanDerWaalsContact CB-CD1 3.49Å; A7-I39 HydrophobicContact CB-CG1 4.03Å; A7-I39 WeakPolarHBondContact O-CG1 3.32Å; A7-T203 VanDerWaalsContact CA-O 3.24Å; A7-T203 WeakPolarHBondContact CA-O 3.21Å; A7-T203 WeakPolarHBondContact CB-O 3.3Å; A7-Y205 HydrophobicContact CB-CD2 4.38Å; A7-Y205 HydrophobicContact CB-CE2 3.92Å
8L98.5Very high90.9Very high0 Ų033.4 Ų33.40%022%0.215CC..EExtended strand (participates in β ladder)trans-130.9134.4179.3170.564.2000108.8L10 K40 Y66 V196 Y201 T203 I204 Y205L8-L10 HydrophobicContact CD1-CD2 4.28Å; L8-L10 HydrophobicContact CD2-CD1 4.27Å; L8-L10 HydrophobicContact CD2-CD2 3.89Å; L8-L10 HydrophobicContact CD2-CG 3.88Å; L8-L10 HydrophobicContact CG-CD2 4.15Å; L8-L10 HydrophobicContact CG-CG 4.04Å; L8-K40 WeakPolarHBondContact CA-O 3.45Å; L8-K40 HydrophobicContact CD1-CB 3.99Å; L8-Y66 HydrophobicContact CD1-CD2 3.81Å; L8-Y66 HydrophobicContact CD1-CE2 4.01Å; L8-Y66 HydrophobicContact CD2-CD2 4.39Å; L8-Y66 HydrophobicContact CD2-CE2 4.39Å; L8-V196 HydrophobicContact CD2-CB 3.81Å; L8-V196 HydrophobicContact CD2-CG1 3.7Å; L8-V196 HydrophobicContact CD2-CG2 4.07Å; L8-Y201 HydrophobicContact CB-CD1 3.93Å; L8-Y201 HydrophobicContact CB-CD2 3.96Å; L8-Y201 HydrophobicContact CB-CE1 4.05Å; L8-Y201 HydrophobicContact CB-CE2 4.07Å; L8-Y201 HydrophobicContact CB-CG 3.91Å; L8-Y201 HydrophobicContact CD2-CD2 4.1Å; L8-Y201 HydrophobicContact CD2-CE2 3.93Å; L8-T203 PolarHBondContact N-O 3.2Å; L8-T203 VanDerWaalsContact N-O 3.08Å; L8-I204 HydrophobicContact CD2-CG2 4.37Å; L8-I204 CarbonylContact O-C 3.58Å; L8-I204 WeakPolarHBondContact O-CA 3.33Å; L8-Y205 PolarHBondContact O-N 2.85Å
9C98.7Very high91Very high0 Ų034.3 Ų34.30%023%0.226CC..EExtended strand (participates in β ladder)trans-101.3118.5164.3-66.90000109.9F11 K40 I41 G42 F207 F245C9-F11 HydrophobicContact CB-CD2 4.38Å; C9-F11 HydrophobicContact CB-CE1 4.42Å; C9-F11 HydrophobicContact CB-CE2 3.44Å; C9-F11 VanDerWaalsContact CB-CE2 3.44Å; C9-F11 HydrophobicContact CB-CZ 3.46Å; C9-F11 VanDerWaalsContact CB-CZ 3.46Å; C9-K40 PolarHBondContact N-O 2.71Å; C9-I41 HydrophobicContact CB-CG2 4.38Å; C9-I41 CarbonylContact O-C 3.56Å; C9-I41 WeakPolarHBondContact O-CA 3.4Å; C9-G42 PolarHBondContact O-N 2.92Å; C9-F207 HydrophobicContact CB-CE2 4.08Å; C9-F245 WeakPolarHBondContact SG-CE2 3.26Å; C9-F245 WeakPolarHBondContact SG-CZ 3.34Å
10L98.8Very high90.8Very high0 Ų037.5 Ų37.50%025%0.246CC..EExtended strand (participates in β ladder)trans-100.2131.7169.3-69.7179.5000109.7L8 G42 F68 L193 I204 Y205 F206 F207L8-L10 HydrophobicContact CD1-CD2 4.28Å; L8-L10 HydrophobicContact CD2-CD1 4.27Å; L8-L10 HydrophobicContact CD2-CD2 3.89Å; L8-L10 HydrophobicContact CD2-CG 3.88Å; L8-L10 HydrophobicContact CG-CD2 4.15Å; L8-L10 HydrophobicContact CG-CG 4.04Å; L10-G42 CarbonylContact C-O 3.35Å; L10-G42 WeakPolarHBondContact CA-O 3.43Å; L10-F68 HydrophobicContact CD2-CD2 4.24Å; L10-F68 HydrophobicContact CD2-CE2 3.95Å; L10-L193 HydrophobicContact CD1-CD2 4.02Å; L10-I204 HydrophobicContact CD1-CG2 3.82Å; L10-I204 HydrophobicContact CG-CG2 4.16Å; L10-Y205 PolarHBondContact N-O 2.87Å; L10-F206 HydrophobicContact CB-CD2 4.12Å; L10-F206 CarbonylContact O-C 3.52Å; L10-F206 VanDerWaalsContact O-CA 3.31Å; L10-F206 WeakPolarHBondContact O-CA 3.38Å; L10-F207 PolarHBondContact O-N 3.49Å
11F98.8Very high90.3Very high0 Ų045.3 Ų45.30%027%0.271CS..EExtended strand (participates in β ladder)trans-118.6134.3179.7-56.2-87.8000109.7C9 T16 L17 L32 L35 I41 G42 V43 V44 F207 T237C9-F11 HydrophobicContact CB-CD2 4.38Å; C9-F11 HydrophobicContact CB-CE1 4.42Å; C9-F11 HydrophobicContact CB-CE2 3.44Å; C9-F11 VanDerWaalsContact CB-CE2 3.44Å; C9-F11 HydrophobicContact CB-CZ 3.46Å; C9-F11 VanDerWaalsContact CB-CZ 3.46Å; F11-T16 HydrophobicContact CB-CG2 4.37Å; F11-L17 HydrophobicContact CB-CD1 3.73Å; F11-L17 HydrophobicContact CB-CD2 3.99Å; F11-L17 HydrophobicContact CB-CG 3.85Å; F11-L17 HydrophobicContact CD1-CD2 3.86Å; F11-L17 HydrophobicContact CG-CD1 4.26Å; F11-L17 HydrophobicContact CG-CD2 3.95Å; F11-L17 HydrophobicContact CG-CG 4.36Å; F11-L32 HydrophobicContact CE2-CD2 4.12Å; F11-L32 HydrophobicContact CZ-CD2 4.11Å; F11-L35 HydrophobicContact CZ-CD2 3.89Å; F11-I41 HydrophobicContact CE2-CB 4.13Å; F11-I41 HydrophobicContact CE2-CG2 4.07Å; F11-G42 WeakPolarHBondContact CD2-O 3.32Å; F11-G42 PolarHBondContact N-O 2.96Å; F11-V43 CarbonylContact O-C 3.59Å; F11-V43 VanDerWaalsContact O-CA 3.3Å; F11-V43 WeakPolarHBondContact O-CA 3.37Å; F11-V44 PolarHBondContact O-N 2.8Å; F11-F207 HydrophobicContact CD1-CB 3.69Å; F11-F207 AromaticContact CD1-CD2 3.64Å; F11-F207 HydrophobicContact CD1-CD2 3.64Å; F11-F207 HydrophobicContact CD1-CE2 4.49Å; F11-F207 AromaticContact CD1-CG 3.8Å; F11-F207 HydrophobicContact CD1-CG 3.8Å; F11-F207 HydrophobicContact CE1-CB 4.18Å; F11-F207 HydrophobicContact CE1-CD1 4.44Å; F11-F207 AromaticContact CE1-CD2 3.37Å; F11-F207 HydrophobicContact CE1-CD2 3.37Å; F11-F207 AromaticContact CE1-CE2 3.81Å; F11-F207 HydrophobicContact CE1-CE2 3.81Å; F11-F207 AromaticContact CE1-CG 3.75Å; F11-F207 HydrophobicContact CE1-CG 3.75Å; F11-F207 HydrophobicContact CG-CD2 4.5Å; F11-F207 HydrophobicContact CZ-CD2 4.08Å; F11-F207 HydrophobicContact CZ-CE2 4.18Å; F11-T237 HydrophobicContact CD1-CG2 3.7Å; F11-T237 HydrophobicContact CE1-CG2 3.67Å
12D98.5Very high91.7Very high5 Ų541 Ų413%0.02725%0.248CC..  trans-59.8162.3151.9169.164.1000110.6D14 T16 L17 V44 K189 F206 F207D12-D14 PolarHBondContact OD2-N 3.11Å; D12-T16 HydrophobicContact CB-CG2 4.21Å; D12-T16 WeakPolarHBondContact CB-OG1 3.44Å; D12-T16 VanDerWaalsContact O-CB 3.26Å; D12-T16 WeakPolarHBondContact O-CB 3.29Å; D12-T16 VanDerWaalsContact O-CG2 3.3Å; D12-T16 WeakPolarHBondContact O-CG2 3.49Å; D12-T16 WeakPolarHBondContact OD2-CB 3.15Å; D12-T16 PolarHBondContact OD2-OG1 2.91Å; D12-L17 WeakPolarHBondContact O-CG 3.41Å; D12-V44 WeakPolarHBondContact CA-O 3.3Å; D12-K189 VanDerWaalsContact CG-NZ 3.28Å; D12-K189 IonicContact OD1-NZ 3.28Å; D12-K189 PolarHBondContact OD1-NZ 3.32Å; D12-F206 HydrophobicContact CB-CZ 4.29Å; D12-F207 PolarHBondContact N-O 2.97Å
13V97.5Very high92.8Very high4 Ų446 Ų462%0.02426%0.263CS..SBendtrans-97.9-59.5-176.9-176.70000111.8G15 L17 T18 V43 Q55 L56V13-G15 PolarHBondContact O-N 2.99Å; V13-L17 PolarHBondContact O-N 2.73Å; V13-T18 HydrophobicContact CG1-CG2 4.48Å; V13-T18 PolarHBondContact O-N 2.97Å; V13-T18 VanDerWaalsContact O-N 3.07Å; V13-V43 HydrophobicContact CG2-CB 4.2Å; V13-Q55 HydrophobicContact CG1-CB 4.15Å; V13-L56 HydrophobicContact CG1-CD1 4.3Å; V13-L56 HydrophobicContact CG1-CD2 4.13Å; V13-L56 HydrophobicContact CG1-CG 4.18Å; V13-L56 HydrophobicContact CG2-CD1 4.23Å
14D93.9Very high94Very high40 Ų4044.5 Ų44.521%0.21425%0.249CC..BIsolated β-bridgetrans-86.9108.4-164-114.5-25.4000111.3D12 T16 R21 Q55D12-D14 PolarHBondContact OD2-N 3.11Å; D14-T16 VanDerWaalsContact C-N 3.27Å; D14-R21 WeakPolarHBondContact OD1-CA 3.45Å; D14-R21 PolarHBondContact OD1-N 3.36Å; D14-Q55 VanDerWaalsContact CG-NE2 3.35Å; D14-Q55 PolarHBondContact OD1-NE2 3.37Å
15G94.6Very high95.1Very high6 Ų642.8 Ų42.86%0.06224%0.236CC..THydrogen-bonded Turntrans93.2-21.7-172.500000113.1V13 T18 A233V13-G15 PolarHBondContact O-N 2.99Å; G15-T18 WeakPolarHBondContact CA-O 3.45Å; G15-T18 PolarHBondContact N-O 3.24Å; G15-A233 CarbonylContact O-C 3.52Å; G15-A233 WeakPolarHBondContact O-CA 3.35Å
16T98.3Very high95.6Very high0 Ų048.3 Ų48.30%025%0.248CC..THydrogen-bonded Turntrans-95.6-48.5179.6-59.20000113F11 D12 D14 F207 G208 D209 V231 P234 T237F11-T16 HydrophobicContact CB-CG2 4.37Å; D12-T16 HydrophobicContact CB-CG2 4.21Å; D12-T16 WeakPolarHBondContact CB-OG1 3.44Å; D12-T16 VanDerWaalsContact O-CB 3.26Å; D12-T16 WeakPolarHBondContact O-CB 3.29Å; D12-T16 VanDerWaalsContact O-CG2 3.3Å; D12-T16 WeakPolarHBondContact O-CG2 3.49Å; D12-T16 WeakPolarHBondContact OD2-CB 3.15Å; D12-T16 PolarHBondContact OD2-OG1 2.91Å; D14-T16 VanDerWaalsContact C-N 3.27Å; T16-F207 HydrophobicContact CG2-CB 4.11Å; T16-F207 WeakPolarHBondContact CG2-O 3.38Å; T16-G208 WeakPolarHBondContact OG1-CA 3.41Å; T16-D209 PolarHBondContact OG1-N 2.85Å; T16-V231 HydrophobicContact CG2-CG2 3.97Å; T16-P234 WeakPolarHBondContact O-CA 3.29Å; T16-T237 WeakPolarHBondContact O-CB 3.49Å; T16-T237 PolarHBondContact O-OG1 2.83Å
17L98.3Very high95.7Very high1 Ų150.6 Ų50.61%0.00525%0.252CS..THydrogen-bonded Turntrans-109.8-27.9177.4-65.9-175.1000112.7F11 D12 V13 M28 L32 V43 Y64 T237F11-L17 HydrophobicContact CB-CD1 3.73Å; F11-L17 HydrophobicContact CB-CD2 3.99Å; F11-L17 HydrophobicContact CB-CG 3.85Å; F11-L17 HydrophobicContact CD1-CD2 3.86Å; F11-L17 HydrophobicContact CG-CD1 4.26Å; F11-L17 HydrophobicContact CG-CD2 3.95Å; F11-L17 HydrophobicContact CG-CG 4.36Å; D12-L17 WeakPolarHBondContact O-CG 3.41Å; V13-L17 PolarHBondContact O-N 2.73Å; L17-M28 HydrophobicContact CD2-CE 4.11Å; L17-L32 HydrophobicContact CD1-CD1 4.07Å; L17-L32 HydrophobicContact CD2-CD1 3.96Å; L17-L32 HydrophobicContact CD2-CD2 4.13Å; L17-V43 HydrophobicContact CD1-CG1 3.71Å; L17-Y64 HydrophobicContact CD1-CE1 4.46Å; L17-T237 HydrophobicContact CD2-CG2 4.08Å
18T96.5Very high95.8Very high2 Ų250.4 Ų50.41%0.01225%0.248CC..BIsolated β-bridgetrans-122.5156.9177.873.20000110.1V13 G15 Q22 I24 Q55 L56V13-T18 HydrophobicContact CG1-CG2 4.48Å; V13-T18 PolarHBondContact O-N 2.97Å; V13-T18 VanDerWaalsContact O-N 3.07Å; G15-T18 WeakPolarHBondContact CA-O 3.45Å; G15-T18 PolarHBondContact N-O 3.24Å; T18-Q22 WeakPolarHBondContact CB-O 3.37Å; T18-Q22 PolarHBondContact OG1-O 3.09Å; T18-I24 HydrophobicContact CG2-CB 3.82Å; T18-I24 HydrophobicContact CG2-CG1 4.4Å; T18-Q55 HydrophobicContact CG2-CB 4.35Å; T18-Q55 PolarHBondContact OG1-NE2 2.51Å; T18-L56 HydrophobicContact CG2-CD2 4.03Å
19A92.6Very high95.8Very high50 Ų5051.5 Ų51.541%0.41326%0.255SS..SBendtrans-59152.5159.800000109.5R21 Q22A19-R21 PolarHBondContact O-N 2.88Å; A19-R21 VanDerWaalsContact O-N 3.15Å; A19-Q22 HydrophobicContact CB-CB 4.02Å; A19-Q22 HydrophobicContact CB-CG 4.03Å; A19-Q22 WeakPolarHBondContact O-CB 3.43Å; A19-Q22 PolarHBondContact O-N 3.14Å
20P86.8Confident95.8Very high98 Ų9855 Ų5564%0.63627%0.273SS*.THydrogen-bonded Turntrans-54.3121.7-174.2-28.935.5000113.1Q22P20-Q22 PolarHBondContact O-N 3.1Å
21R80.9Confident95.8Very high202 Ų20256.2 Ų56.276%0.76228%0.279SS*.THydrogen-bonded Turntrans59.220.8-178.1-54179.2178.5173.20.2115D14 A19D14-R21 WeakPolarHBondContact OD1-CA 3.45Å; D14-R21 PolarHBondContact OD1-N 3.36Å; A19-R21 PolarHBondContact O-N 2.88Å; A19-R21 VanDerWaalsContact O-N 3.15Å
22Q91.9Very high95.7Very high121 Ų12156.2 Ų56.257%0.56528%0.279SS*.SBendtrans-105.9165.5178.1-65.1-68.1-18.100110.9T18 A19 P20 Q55T18-Q22 WeakPolarHBondContact CB-O 3.37Å; T18-Q22 PolarHBondContact OG1-O 3.09Å; A19-Q22 HydrophobicContact CB-CB 4.02Å; A19-Q22 HydrophobicContact CB-CG 4.03Å; A19-Q22 WeakPolarHBondContact O-CB 3.43Å; A19-Q22 PolarHBondContact O-N 3.14Å; P20-Q22 PolarHBondContact O-N 3.1Å; Q22-Q55 PolarHBondContact O-NE2 3.32Å
23K96.7Very high95.7Very high141 Ų14158.3 Ų58.361%0.61329%0.288SS*.PPolyproline II helixtrans-74.6146.9172.1-168.6171.9-178.8174.10110.5Q55K23-Q55 WeakPolarHBondContact CA-O 3.12Å; K23-Q55 WeakPolarHBondContact CG-O 3.36Å
24I98.1Very high95.8Very high15 Ų1565.2 Ų65.28%0.07732%0.318CS..PPolyproline II helixtrans-56.3139.7171.8-165.7168.2000110.5T18 M28 D29 L32 Q55 L56T18-I24 HydrophobicContact CG2-CB 3.82Å; T18-I24 HydrophobicContact CG2-CG1 4.4Å; I24-M28 HydrophobicContact CD1-CB 4.3Å; I24-M28 HydrophobicContact CD1-CG 3.94Å; I24-M28 HydrophobicContact CG1-CB 3.95Å; I24-M28 HydrophobicContact CG1-CG 4Å; I24-D29 HydrophobicContact CD1-CB 4.23Å; I24-D29 HydrophobicContact CG1-CB 4.48Å; I24-D29 HydrophobicContact CG2-CB 4.48Å; I24-L32 HydrophobicContact CD1-CD1 3.82Å; I24-Q55 WeakPolarHBondContact CB-O 3.23Å; I24-Q55 WeakPolarHBondContact CG2-O 3.35Å; I24-Q55 PolarHBondContact N-O 2.85Å; I24-L56 HydrophobicContact CB-CD2 4.1Å; I24-L56 HydrophobicContact CD1-CD2 3.97Å
25T98.2Very high95.9Very high78 Ų7863.7 Ų63.748%0.47931%0.31SS..PPolyproline II helixtrans-75151.4174.666.30000109.7E27 M28 D29T25-E27 PolarHBondContact O-N 2.96Å; T25-M28 PolarHBondContact O-N 2.9Å; T25-M28 WeakPolarHBondContact OG1-CB 3.44Å; T25-M28 PolarHBondContact OG1-N 2.97Å; T25-D29 PolarHBondContact O-N 3.01Å
26K97.9Very high96.1Very high161 Ų16166.3 Ų66.370%0.732%0.318SS*.Hα-helixtrans-57.6-38.8175.2-178.5173.8179.8172.80111.9D29 D30K26-D29 PolarHBondContact O-N 3.34Å; K26-D30 WeakPolarHBondContact O-CB 3.24Å; K26-D30 PolarHBondContact O-N 2.75Å
27E98Very high96Very high127 Ų12774 Ų7459%0.59335%0.354SS*.Hα-helixtrans-61.7-43.9178.9-178.5174.9-164.100112.5T25 F31 R238T25-E27 PolarHBondContact O-N 2.96Å; E27-F31 WeakPolarHBondContact O-CB 3.2Å; E27-F31 PolarHBondContact O-N 3.2Å; E27-R238 IonicContact OE1-CZ 3.8Å; E27-R238 IonicContact OE1-NH1 2.85Å; E27-R238 PolarHBondContact OE1-NH1 3.44Å
28M98.2Very high95.8Very high7 Ų780.2 Ų80.23%0.03438%0.381CS..Hα-helixtrans-69.5-40.7177.4-17855.5114.200111.7L17 I24 T25 F31 L32 P234 T237 R238L17-M28 HydrophobicContact CD2-CE 4.11Å; I24-M28 HydrophobicContact CD1-CB 4.3Å; I24-M28 HydrophobicContact CD1-CG 3.94Å; I24-M28 HydrophobicContact CG1-CB 3.95Å; I24-M28 HydrophobicContact CG1-CG 4Å; T25-M28 PolarHBondContact O-N 2.9Å; T25-M28 WeakPolarHBondContact OG1-CB 3.44Å; T25-M28 PolarHBondContact OG1-N 2.97Å; M28-F31 WeakPolarHBondContact O-CB 3.45Å; M28-F31 PolarHBondContact O-N 3.2Å; M28-F31 HydrophobicContact SD-CD1 3.93Å; M28-L32 HydrophobicContact CG-CD1 4.05Å; M28-L32 HydrophobicContact CG-CG 4.48Å; M28-L32 WeakPolarHBondContact O-CG 3.39Å; M28-L32 PolarHBondContact O-N 2.83Å; M28-L32 HydrophobicContact SD-CD1 4.28Å; M28-L32 HydrophobicContact SD-CG 4.15Å; M28-P234 HydrophobicContact CE-CB 3.63Å; M28-P234 WeakPolarHBondContact CE-O 3.39Å; M28-T237 HydrophobicContact CE-CG2 4.35Å; M28-R238 HydrophobicContact CE-CB 4.41Å
29D98.4Very high95.9Very high24 Ų2481 Ų8113%0.12839%0.385CS..Hα-helixtrans-60.1-49.8175.4-167.757.1000111.2I24 T25 K26 F31 L32 Q33 K63I24-D29 HydrophobicContact CD1-CB 4.23Å; I24-D29 HydrophobicContact CG1-CB 4.48Å; I24-D29 HydrophobicContact CG2-CB 4.48Å; T25-D29 PolarHBondContact O-N 3.01Å; K26-D29 PolarHBondContact O-N 3.34Å; D29-F31 VanDerWaalsContact C-N 3.26Å; D29-F31 PolarHBondContact O-N 3.39Å; D29-L32 PolarHBondContact O-N 2.99Å; D29-Q33 WeakPolarHBondContact O-CG 3.45Å; D29-Q33 PolarHBondContact O-N 3.09Å; D29-K63 IonicContact OD1-NZ 3.43Å; D29-K63 PolarHBondContact OD1-NZ 3.22Å; D29-K63 IonicContact OD2-NZ 3.82Å; D29-K63 PolarHBondContact OD2-NZ 2.72Å
30D98.4Very high96.1Very high74 Ų7482.6 Ų82.640%0.39638%0.382SS..Hα-helixtrans-59.1-37.3176.7-72.9-18.9000111.6K26 K34K26-D30 WeakPolarHBondContact O-CB 3.24Å; K26-D30 PolarHBondContact O-N 2.75Å; D30-K34 WeakPolarHBondContact O-CG 3.43Å; D30-K34 PolarHBondContact O-N 2.75Å
31F98.4Very high96.7Very high25 Ų2577.9 Ų77.911%0.1135%0.352CS..Hα-helixtrans-65.6-49.7175.6171.4-101.4000112.2E27 M28 D29 Q33 K34 L35 R238 C241 E242E27-F31 WeakPolarHBondContact O-CB 3.2Å; E27-F31 PolarHBondContact O-N 3.2Å; M28-F31 WeakPolarHBondContact O-CB 3.45Å; M28-F31 PolarHBondContact O-N 3.2Å; M28-F31 HydrophobicContact SD-CD1 3.93Å; D29-F31 VanDerWaalsContact C-N 3.26Å; D29-F31 PolarHBondContact O-N 3.39Å; F31-Q33 VanDerWaalsContact C-N 3.3Å; F31-Q33 PolarHBondContact O-N 2.97Å; F31-K34 WeakPolarHBondContact O-CB 3.43Å; F31-K34 PolarHBondContact O-N 2.82Å; F31-K34 VanDerWaalsContact O-N 3.1Å; F31-L35 HydrophobicContact CE1-CD2 4.33Å; F31-L35 PolarHBondContact O-N 2.88Å; F31-R238 HydrophobicContact CD1-CB 4.29Å; F31-R238 HydrophobicContact CD1-CG 4.02Å; F31-R238 HydrophobicContact CD2-CG 3.89Å; F31-R238 HydrophobicContact CE1-CB 4.18Å; F31-R238 HydrophobicContact CE1-CG 3.99Å; F31-R238 HydrophobicContact CE2-CG 3.86Å; F31-R238 HydrophobicContact CG-CG 3.97Å; F31-R238 HydrophobicContact CZ-CB 4.47Å; F31-R238 HydrophobicContact CZ-CG 3.91Å; F31-C241 HydrophobicContact CE1-CB 3.81Å; F31-C241 HydrophobicContact CZ-CB 3.52Å; F31-E242 HydrophobicContact CE2-CG 3.62Å; F31-E242 HydrophobicContact CZ-CG 4.08Å
32L98.4Very high97.6Very high0 Ų068.3 Ų68.30%032%0.315CS..Hα-helixtrans-62.6-38-179.6-68.8165.3000111.4F11 L17 I24 M28 D29 K34 L35 R36 I41 Y64F11-L32 HydrophobicContact CE2-CD2 4.12Å; F11-L32 HydrophobicContact CZ-CD2 4.11Å; L17-L32 HydrophobicContact CD1-CD1 4.07Å; L17-L32 HydrophobicContact CD2-CD1 3.96Å; L17-L32 HydrophobicContact CD2-CD2 4.13Å; I24-L32 HydrophobicContact CD1-CD1 3.82Å; M28-L32 HydrophobicContact CG-CD1 4.05Å; M28-L32 HydrophobicContact CG-CG 4.48Å; M28-L32 WeakPolarHBondContact O-CG 3.39Å; M28-L32 PolarHBondContact O-N 2.83Å; M28-L32 HydrophobicContact SD-CD1 4.28Å; M28-L32 HydrophobicContact SD-CG 4.15Å; D29-L32 PolarHBondContact O-N 2.99Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 2.79Å; L32-L35 HydrophobicContact CD2-CD2 4.49Å; L32-L35 WeakPolarHBondContact O-CB 3.4Å; L32-L35 PolarHBondContact O-N 3.08Å; L32-R36 WeakPolarHBondContact O-CB 3.46Å; L32-R36 PolarHBondContact O-N 2.86Å; L32-I41 HydrophobicContact CB-CD1 4.15Å; L32-Y64 HydrophobicContact CD1-CE1 4.16Å; L32-Y64 VanDerWaalsContact CD1-OH 3.31Å; L32-Y64 WeakPolarHBondContact CD1-OH 3.5Å
33Q98.4Very high97.9Very high49 Ų4962.6 Ų62.623%0.22929%0.289CS..Hα-helixtrans-65.7-33.5175.2-64.8-47.3-56.400112.7D29 F31 K63D29-Q33 WeakPolarHBondContact O-CG 3.45Å; D29-Q33 PolarHBondContact O-N 3.09Å; F31-Q33 VanDerWaalsContact C-N 3.3Å; F31-Q33 PolarHBondContact O-N 2.97Å; Q33-K63 PolarHBondContact NE2-O 2.85Å; Q33-K63 PolarHBondContact OE1-O 3.42Å
34K98Very high98Very high149 Ų14955.9 Ų55.965%0.64826%0.26SS*.Hα-helixtrans-69.5-42.6171-70.9169.5-175.2173.50111.6D30 F31 L32 R36 Q37D30-K34 WeakPolarHBondContact O-CG 3.43Å; D30-K34 PolarHBondContact O-N 2.75Å; F31-K34 WeakPolarHBondContact O-CB 3.43Å; F31-K34 PolarHBondContact O-N 2.82Å; F31-K34 VanDerWaalsContact O-N 3.1Å; L32-K34 VanDerWaalsContact C-N 3.32Å; L32-K34 PolarHBondContact O-N 2.79Å; K34-R36 VanDerWaalsContact C-N 3.28Å; K34-R36 PolarHBondContact O-N 3.3Å; K34-Q37 WeakPolarHBondContact O-CB 3.24Å; K34-Q37 PolarHBondContact O-N 3.23Å
35L97.7Very high97.8Very high8 Ų855.4 Ų55.44%0.04226%0.259CS..Hα-helixtrans-59.5-41.3176.1-17961.6000111F11 F31 L32 Q37 K38 I39 I41 C241 F245F11-L35 HydrophobicContact CZ-CD2 3.89Å; F31-L35 HydrophobicContact CE1-CD2 4.33Å; F31-L35 PolarHBondContact O-N 2.88Å; L32-L35 HydrophobicContact CD2-CD2 4.49Å; L32-L35 WeakPolarHBondContact O-CB 3.4Å; L32-L35 PolarHBondContact O-N 3.08Å; L35-Q37 PolarHBondContact O-N 3.45Å; L35-Q37 VanDerWaalsContact O-N 3.12Å; L35-K38 PolarHBondContact O-N 2.79Å; L35-I39 HydrophobicContact CD1-CG2 3.67Å; L35-I39 HydrophobicContact CD2-CG2 4.5Å; L35-I39 HydrophobicContact CG-CG2 3.74Å; L35-I39 PolarHBondContact O-N 2.68Å; L35-I39 VanDerWaalsContact O-N 3.09Å; L35-I41 HydrophobicContact CD2-CG2 4.19Å; L35-I41 HydrophobicContact CG-CG2 4.2Å; L35-C241 HydrophobicContact CD2-CB 4.19Å; L35-F245 HydrophobicContact CD1-CB 3.86Å; L35-F245 HydrophobicContact CD1-CD2 3.75Å; L35-F245 HydrophobicContact CD1-CG 4.01Å
36R97.6Very high97.5Very high60 Ų6053.6 Ų53.623%0.22626%0.255CS..Hα-helixtrans-56.8-27178.4-169172.2-179-157.82.4114.3L32 K34 K38 I39 I41 E62 K63 D65L32-R36 WeakPolarHBondContact O-CB 3.46Å; L32-R36 PolarHBondContact O-N 2.86Å; K34-R36 VanDerWaalsContact C-N 3.28Å; K34-R36 PolarHBondContact O-N 3.3Å; R36-K38 PolarHBondContact O-N 3.18Å; R36-I39 CarbonylContact C-O 3.49Å; R36-I39 VanDerWaalsContact CA-O 3.24Å; R36-I39 WeakPolarHBondContact CA-O 3.43Å; R36-I41 HydrophobicContact CB-CD1 3.83Å; R36-I41 HydrophobicContact CB-CG1 4.01Å; R36-I41 HydrophobicContact CG-CD1 4.2Å; R36-I41 HydrophobicContact CG-CG1 3.92Å; R36-E62 PolarHBondContact NH1-O 3.02Å; R36-K63 WeakPolarHBondContact CD-O 3.31Å; R36-K63 PolarHBondContact NH1-O 3.12Å; R36-D65 IonicContact CZ-OD1 3.81Å; R36-D65 IonicContact NE-OD1 2.83Å; R36-D65 PolarHBondContact NE-OD1 3.22Å; R36-D65 VanDerWaalsContact NE-OD1 3.1Å; R36-D65 IonicContact NE-OD2 2.68Å; R36-D65 PolarHBondContact NE-OD2 3.38Å; R36-D65 IonicContact NH2-OD1 3.05Å; R36-D65 PolarHBondContact NH2-OD1 2.87Å
37Q96.4Very high97.1Very high162 Ų16247.9 Ų47.976%0.75724%0.235SC*.THydrogen-bonded Turntrans-69.3-21.1175.6-56.7-56.4-44.600112.9K34 L35K34-Q37 WeakPolarHBondContact O-CB 3.24Å; K34-Q37 PolarHBondContact O-N 3.23Å; L35-Q37 PolarHBondContact O-N 3.45Å; L35-Q37 VanDerWaalsContact O-N 3.12Å
38K95.1Very high96.8Very high132 Ų13245.4 Ų45.457%0.57423%0.226SC*.THydrogen-bonded Turntrans-103.1-33.9-178.8-58.7-173.2-177.1-176.30112.8L35 R36 F245 S246L35-K38 PolarHBondContact O-N 2.79Å; R36-K38 PolarHBondContact O-N 3.18Å; K38-F245 VanDerWaalsContact CD-O 3.29Å; K38-F245 WeakPolarHBondContact CD-O 3.29Å; K38-F245 PolarHBondContact NZ-O 2.68Å; K38-S246 PolarHBondContact NZ-OXT 3Å
39I97.1Very high96.6Very high18 Ų1846.5 Ų46.59%0.09223%0.231CC..SBendtrans-146.2149.4-173.1-167.2167.8000110.1A7 L35 R36 I41 Y205 F245A7-I39 HydrophobicContact CB-CD1 3.49Å; A7-I39 VanDerWaalsContact CB-CD1 3.49Å; A7-I39 HydrophobicContact CB-CG1 4.03Å; A7-I39 WeakPolarHBondContact O-CG1 3.32Å; L35-I39 HydrophobicContact CD1-CG2 3.67Å; L35-I39 HydrophobicContact CD2-CG2 4.5Å; L35-I39 HydrophobicContact CG-CG2 3.74Å; L35-I39 PolarHBondContact O-N 2.68Å; L35-I39 VanDerWaalsContact O-N 3.09Å; R36-I39 CarbonylContact C-O 3.49Å; R36-I39 VanDerWaalsContact CA-O 3.24Å; R36-I39 WeakPolarHBondContact CA-O 3.43Å; I39-I41 HydrophobicContact CG2-CG2 4.29Å; I39-Y205 HydrophobicContact CD1-CD2 4.14Å; I39-Y205 HydrophobicContact CD1-CE2 4.23Å; I39-F245 HydrophobicContact CD1-CD1 4.15Å; I39-F245 HydrophobicContact CD1-CE1 3.56Å; I39-F245 HydrophobicContact CD1-CZ 3.93Å
40K98.3Very high96.4Very high83 Ų8350.9 Ų50.936%0.36125%0.251SS..EExtended strand (participates in β ladder)trans-66.7141.6173.3-70.3-69.3-172.4179.40109.8L8 C9 D65 Y201L8-K40 WeakPolarHBondContact CA-O 3.45Å; L8-K40 HydrophobicContact CD1-CB 3.99Å; C9-K40 PolarHBondContact N-O 2.71Å; K40-D65 WeakPolarHBondContact CA-OD2 3.47Å; K40-D65 HydrophobicContact CD-CB 3.81Å; K40-D65 WeakPolarHBondContact CD-OD1 3.43Å; K40-D65 WeakPolarHBondContact CD-OD2 3.46Å; K40-D65 IonicContact NZ-OD1 3.75Å; K40-D65 PolarHBondContact NZ-OD1 2.96Å; K40-Y201 HydrophobicContact CB-CE1 4.09Å; K40-Y201 HydrophobicContact CG-CE1 4.07Å
41I98.7Very high96Very high0 Ų050.4 Ų50.40%025%0.245CC..EExtended strand (participates in β ladder)trans-126.1144.9179.264.6170.5000111.2C9 F11 L32 L35 R36 I39 Y64 D65 Y66C9-I41 HydrophobicContact CB-CG2 4.38Å; C9-I41 CarbonylContact O-C 3.56Å; C9-I41 WeakPolarHBondContact O-CA 3.4Å; F11-I41 HydrophobicContact CE2-CB 4.13Å; F11-I41 HydrophobicContact CE2-CG2 4.07Å; L32-I41 HydrophobicContact CB-CD1 4.15Å; L35-I41 HydrophobicContact CD2-CG2 4.19Å; L35-I41 HydrophobicContact CG-CG2 4.2Å; R36-I41 HydrophobicContact CB-CD1 3.83Å; R36-I41 HydrophobicContact CB-CG1 4.01Å; R36-I41 HydrophobicContact CG-CD1 4.2Å; R36-I41 HydrophobicContact CG-CG1 3.92Å; I39-I41 HydrophobicContact CG2-CG2 4.29Å; I41-Y64 HydrophobicContact CB-CD1 4.47Å; I41-Y64 HydrophobicContact CD1-CD1 3.62Å; I41-Y64 HydrophobicContact CD1-CE1 3.89Å; I41-Y64 HydrophobicContact CD1-CG 4.48Å; I41-Y64 HydrophobicContact CG1-CD1 3.86Å; I41-D65 PolarHBondContact N-OD2 3.39Å; I41-D65 WeakPolarHBondContact O-CB 3.46Å; I41-D65 PolarHBondContact O-N 3.04Å; I41-Y66 PolarHBondContact O-N 3.1Å
42G98.8Very high95.9Very high0 Ų049.3 Ų49.30%024%0.241CC..EExtended strand (participates in β ladder)trans-146.8161.1173.800000112.5C9 L10 F11 Y66C9-G42 PolarHBondContact O-N 2.92Å; L10-G42 CarbonylContact C-O 3.35Å; L10-G42 WeakPolarHBondContact CA-O 3.43Å; F11-G42 WeakPolarHBondContact CD2-O 3.32Å; F11-G42 PolarHBondContact N-O 2.96Å; G42-Y66 CarbonylContact C-O 3.57Å; G42-Y66 WeakPolarHBondContact CA-O 3.31Å
43V98.8Very high95.8Very high2 Ų251.5 Ų51.51%0.01225%0.251CS..EExtended strand (participates in β ladder)trans-120.7144.9178.1-64.60000110.9F11 V13 L17 L56 Y64 Y66 V67 F68F11-V43 CarbonylContact O-C 3.59Å; F11-V43 VanDerWaalsContact O-CA 3.3Å; F11-V43 WeakPolarHBondContact O-CA 3.37Å; V13-V43 HydrophobicContact CG2-CB 4.2Å; L17-V43 HydrophobicContact CD1-CG1 3.71Å; V43-L56 HydrophobicContact CB-CD1 4.19Å; V43-L56 HydrophobicContact CG1-CD1 3.88Å; V43-L56 HydrophobicContact CG2-CD1 3.92Å; V43-Y64 HydrophobicContact CG1-CD1 3.63Å; V43-Y64 HydrophobicContact CG1-CE1 3.47Å; V43-Y64 VanDerWaalsContact CG1-CE1 3.47Å; V43-Y64 HydrophobicContact CG1-CE2 4.43Å; V43-Y64 HydrophobicContact CG1-CG 4.17Å; V43-Y66 PolarHBondContact N-O 2.76Å; V43-V67 HydrophobicContact CG2-CB 4.24Å; V43-V67 HydrophobicContact CG2-CG1 3.82Å; V43-V67 HydrophobicContact CG2-CG2 4.22Å; V43-F68 WeakPolarHBondContact O-CB 3.39Å; V43-F68 PolarHBondContact O-N 3.04Å
44V98.6Very high95.7Very high0 Ų054.6 Ų54.60%027%0.265CS..EExtended strand (participates in β ladder)trans-135.4130.1175.759.50000110.5F11 D12 F68 K189 C192 F206 I220F11-V44 PolarHBondContact O-N 2.8Å; D12-V44 WeakPolarHBondContact CA-O 3.3Å; V44-F68 WeakPolarHBondContact CA-O 3.47Å; V44-F68 HydrophobicContact CB-CB 4Å; V44-F68 HydrophobicContact CB-CD2 4.39Å; V44-F68 HydrophobicContact CG2-CB 3.96Å; V44-K189 HydrophobicContact CG1-CD 4.34Å; V44-K189 HydrophobicContact CG2-CB 4.27Å; V44-K189 HydrophobicContact CG2-CD 4.45Å; V44-K189 HydrophobicContact CG2-CG 4.03Å; V44-C192 HydrophobicContact CG2-CB 4.14Å; V44-F206 HydrophobicContact CG1-CD2 4.5Å; V44-F206 HydrophobicContact CG1-CE2 3.87Å; V44-I220 HydrophobicContact CG1-CD1 4.37Å
45G95Very high95.6Very high5 Ų547.7 Ų47.75%0.05224%0.235CC..  trans-148.7153.3-178.600000111.9S47 F68 P69 E70 N71G45-S47 VanDerWaalsContact C-N 3.26Å; G45-S47 PolarHBondContact O-N 3.45Å; G45-F68 PolarHBondContact N-O 3.28Å; G45-F68 VanDerWaalsContact N-O 3.08Å; G45-P69 CarbonylContact O-C 3.55Å; G45-E70 PolarHBondContact O-N 3.23Å; G45-N71 PolarHBondContact O-N 3.32Å
46G91.6Very high95.6Very high39 Ų3947.3 Ų47.340%0.40223%0.233SC..SBendtrans-77.9-11.1176.600000114.1N71G46-N71 WeakPolarHBondContact CA-OD1 3.41Å
47S89.4Confident95.6Very high41 Ų4144.9 Ų44.929%0.28723%0.227SC..SBendtrans-76.9161178.2-52.80000111.9G45 E70G45-S47 VanDerWaalsContact C-N 3.26Å; G45-S47 PolarHBondContact O-N 3.45Å; S47-E70 PolarHBondContact O-N 3.23Å
48D91.3Very high95.6Very high76 Ų7643.4 Ų43.441%0.40622%0.224SC..  trans-66.6170.3171.258.329.8000112.2K51 V52D48-K51 PolarHBondContact O-N 3.16Å; D48-K51 WeakPolarHBondContact OD1-CB 3.2Å; D48-K51 PolarHBondContact OD1-N 2.91Å; D48-V52 WeakPolarHBondContact O-CG2 3.18Å; D48-V52 PolarHBondContact O-N 2.71Å; D48-V52 VanDerWaalsContact O-N 3.14Å
49F94.9Very high95.7Very high29 Ų2940.2 Ų40.213%0.12721%0.213CC..Hα-helixtrans-66-39.8-175.4-179.6-116.1000112K51 V52 Q53 V60 V61 V67 P69 Y76F49-K51 VanDerWaalsContact C-N 3.28Å; F49-K51 PolarHBondContact O-N 3.17Å; F49-V52 WeakPolarHBondContact O-CB 3.22Å; F49-V52 PolarHBondContact O-N 3.48Å; F49-V52 VanDerWaalsContact O-N 3.14Å; F49-Q53 HydrophobicContact CD1-CG 4.25Å; F49-Q53 HydrophobicContact CE1-CG 3.88Å; F49-Q53 HydrophobicContact CE2-CG 4.17Å; F49-Q53 HydrophobicContact CZ-CG 3.84Å; F49-Q53 WeakPolarHBondContact O-CG 3.38Å; F49-Q53 PolarHBondContact O-N 2.81Å; F49-V60 HydrophobicContact CE2-CG1 3.66Å; F49-V60 HydrophobicContact CZ-CG1 4.01Å; F49-V61 HydrophobicContact CE2-CG1 3.63Å; F49-V61 HydrophobicContact CZ-CG1 3.61Å; F49-V67 HydrophobicContact CD2-CG1 4.49Å; F49-V67 HydrophobicContact CE2-CG1 4.29Å; F49-P69 HydrophobicContact CB-CB 4.17Å; F49-P69 HydrophobicContact CB-CG 3.84Å; F49-P69 HydrophobicContact CD2-CG 3.62Å; F49-P69 HydrophobicContact CG-CG 4.2Å; F49-Y76 HydrophobicContact CD2-CD2 4.35Å; F49-Y76 AromaticContact CD2-CE2 3.8Å; F49-Y76 HydrophobicContact CD2-CE2 3.8Å; F49-Y76 HydrophobicContact CE2-CD2 4.17Å; F49-Y76 AromaticContact CE2-CE2 3.81Å; F49-Y76 HydrophobicContact CE2-CE2 3.81Å; F49-Y76 HydrophobicContact CG-CE2 4.19Å; F49-Y76 HydrophobicContact CZ-CE2 4.24Å
50E94.1Very high95.7Very high117 Ų11739.3 Ų39.355%0.54721%0.209SC..Hα-helixtrans-57.7-43.3176.8-66.980.3-179.200110.8Q53 E54E50-Q53 WeakPolarHBondContact O-CB 3.18Å; E50-Q53 PolarHBondContact O-N 2.7Å; E50-E54 WeakPolarHBondContact O-CG 3.36Å; E50-E54 PolarHBondContact O-N 3.14Å
51K90.5Very high95.7Very high63 Ų6336.5 Ų36.527%0.27420%0.198SC..Hα-helixtrans-66.7-39.2177-170.762.3-177.6172.50112.5D48 F49 Q53 E54 Q55D48-K51 PolarHBondContact O-N 3.16Å; D48-K51 WeakPolarHBondContact OD1-CB 3.2Å; D48-K51 PolarHBondContact OD1-N 2.91Å; F49-K51 VanDerWaalsContact C-N 3.28Å; F49-K51 PolarHBondContact O-N 3.17Å; K51-Q53 VanDerWaalsContact C-N 3.28Å; K51-Q53 PolarHBondContact O-N 3.28Å; K51-E54 VanDerWaalsContact CD-OE2 3.25Å; K51-E54 WeakPolarHBondContact CD-OE2 3.34Å; K51-E54 IonicContact NZ-OE2 2.63Å; K51-E54 PolarHBondContact NZ-OE2 2.86Å; K51-E54 WeakPolarHBondContact O-CB 3.25Å; K51-E54 PolarHBondContact O-N 2.71Å; K51-Q55 WeakPolarHBondContact O-CG 3.39Å; K51-Q55 PolarHBondContact O-N 2.75Å
52V95.8Very high95.6Very high3 Ų343.1 Ų43.12%0.01823%0.229CC..Hα-helixtrans-60.8-40173.1174.60000110.5D48 F49 Q55 L56 V60 V67 P69D48-V52 WeakPolarHBondContact O-CG2 3.18Å; D48-V52 PolarHBondContact O-N 2.71Å; D48-V52 VanDerWaalsContact O-N 3.14Å; F49-V52 WeakPolarHBondContact O-CB 3.22Å; F49-V52 PolarHBondContact O-N 3.48Å; F49-V52 VanDerWaalsContact O-N 3.14Å; V52-Q55 PolarHBondContact O-N 3.29Å; V52-L56 HydrophobicContact CG1-CD1 3.96Å; V52-L56 HydrophobicContact CG1-CG 4.48Å; V52-L56 WeakPolarHBondContact O-CB 3.24Å; V52-L56 PolarHBondContact O-N 2.77Å; V52-V60 HydrophobicContact CG1-CG2 4.11Å; V52-V67 HydrophobicContact CG1-CG1 4.1Å; V52-P69 HydrophobicContact CG2-CB 4.38Å
53Q96.8Very high95.6Very high45 Ų4544.6 Ų44.621%0.2124%0.236CC..Hα-helixtrans-65.9-40.4175.4-71.6-177.2-62.900112.9F49 E50 K51 Q55 G57 N58 V60F49-Q53 HydrophobicContact CD1-CG 4.25Å; F49-Q53 HydrophobicContact CE1-CG 3.88Å; F49-Q53 HydrophobicContact CE2-CG 4.17Å; F49-Q53 HydrophobicContact CZ-CG 3.84Å; F49-Q53 WeakPolarHBondContact O-CG 3.38Å; F49-Q53 PolarHBondContact O-N 2.81Å; E50-Q53 WeakPolarHBondContact O-CB 3.18Å; E50-Q53 PolarHBondContact O-N 2.7Å; K51-Q53 VanDerWaalsContact C-N 3.28Å; K51-Q53 PolarHBondContact O-N 3.28Å; Q53-Q55 PolarHBondContact O-N 3.42Å; Q53-G57 WeakPolarHBondContact CA-O 3.36Å; Q53-G57 CarbonylContact O-C 3.56Å; Q53-G57 WeakPolarHBondContact O-CA 3.5Å; Q53-G57 PolarHBondContact O-N 2.92Å; Q53-N58 PolarHBondContact NE2-O 2.85Å; Q53-V60 HydrophobicContact CG-CG1 3.88Å
54E95.1Very high95.6Very high115 Ų11544.6 Ų44.654%0.53724%0.235SC..Hα-helixtrans-56.6-38.8174.5-73.1178.6-177.100111.6E50 K51E50-E54 WeakPolarHBondContact O-CG 3.36Å; E50-E54 PolarHBondContact O-N 3.14Å; K51-E54 VanDerWaalsContact CD-OE2 3.25Å; K51-E54 WeakPolarHBondContact CD-OE2 3.34Å; K51-E54 IonicContact NZ-OE2 2.63Å; K51-E54 PolarHBondContact NZ-OE2 2.86Å; K51-E54 WeakPolarHBondContact O-CB 3.25Å; K51-E54 PolarHBondContact O-N 2.71Å
55Q95.8Very high95.6Very high4 Ų444.7 Ų44.72%0.01924%0.236CC..Hα-helixtrans-83.2-43.3-176.7-64.1-169-87.200113.2V13 D14 T18 Q22 K23 I24 K51 V52 Q53V13-Q55 HydrophobicContact CG1-CB 4.15Å; D14-Q55 VanDerWaalsContact CG-NE2 3.35Å; D14-Q55 PolarHBondContact OD1-NE2 3.37Å; T18-Q55 HydrophobicContact CG2-CB 4.35Å; T18-Q55 PolarHBondContact OG1-NE2 2.51Å; Q22-Q55 PolarHBondContact O-NE2 3.32Å; K23-Q55 WeakPolarHBondContact CA-O 3.12Å; K23-Q55 WeakPolarHBondContact CG-O 3.36Å; I24-Q55 WeakPolarHBondContact CB-O 3.23Å; I24-Q55 WeakPolarHBondContact CG2-O 3.35Å; I24-Q55 PolarHBondContact N-O 2.85Å; K51-Q55 WeakPolarHBondContact O-CG 3.39Å; K51-Q55 PolarHBondContact O-N 2.75Å; V52-Q55 PolarHBondContact O-N 3.29Å; Q53-Q55 PolarHBondContact O-N 3.42Å
56L97.8Very high95.8Very high0 Ų044.7 Ų44.70%024%0.235CC..Hα-helixtrans-105.6-6.9-170.2-58-175.8000114V13 T18 I24 V43 V52 V60 Y64V13-L56 HydrophobicContact CG1-CD1 4.3Å; V13-L56 HydrophobicContact CG1-CD2 4.13Å; V13-L56 HydrophobicContact CG1-CG 4.18Å; V13-L56 HydrophobicContact CG2-CD1 4.23Å; T18-L56 HydrophobicContact CG2-CD2 4.03Å; I24-L56 HydrophobicContact CB-CD2 4.1Å; I24-L56 HydrophobicContact CD1-CD2 3.97Å; V43-L56 HydrophobicContact CB-CD1 4.19Å; V43-L56 HydrophobicContact CG1-CD1 3.88Å; V43-L56 HydrophobicContact CG2-CD1 3.92Å; V52-L56 HydrophobicContact CG1-CD1 3.96Å; V52-L56 HydrophobicContact CG1-CG 4.48Å; V52-L56 WeakPolarHBondContact O-CB 3.24Å; V52-L56 PolarHBondContact O-N 2.77Å; L56-V60 HydrophobicContact CB-CB 4.23Å; L56-V60 HydrophobicContact CB-CG2 3.74Å; L56-V60 HydrophobicContact CD1-CG2 3.88Å; L56-V60 HydrophobicContact CG-CG2 4.46Å; L56-Y64 HydrophobicContact CB-CE2 4.4Å; L56-Y64 HydrophobicContact CD1-CE2 4.08Å
57G96.8Very high96.1Very high8 Ų842.9 Ų42.98%0.08222%0.216CC..  trans103.8152.3-17500000112.7Q53 D59 V60Q53-G57 WeakPolarHBondContact CA-O 3.36Å; Q53-G57 CarbonylContact O-C 3.56Å; Q53-G57 WeakPolarHBondContact O-CA 3.5Å; Q53-G57 PolarHBondContact O-N 2.92Å; G57-D59 PolarHBondContact O-N 2.89Å; G57-V60 WeakPolarHBondContact O-CB 3.46Å; G57-V60 PolarHBondContact O-N 2.82Å; G57-V60 VanDerWaalsContact O-N 3.11Å
58N96.7Very high96.5Very high131 Ų13141 Ų4170%0.70120%0.202SC*.THydrogen-bonded Turntrans-63.7-25.1-179.1-67.3-17.4000112.7Q53 V60Q53-N58 PolarHBondContact NE2-O 2.85Å; N58-V60 VanDerWaalsContact C-N 3.29Å; N58-V60 PolarHBondContact O-N 3.38Å
59D96.9Very high96.8Very high65 Ų6537.4 Ų37.435%0.34818%0.183SC..THydrogen-bonded Turntrans-87.316.5177.558.8-21000113.2G57 V61 E62 K63G57-D59 PolarHBondContact O-N 2.89Å; D59-V61 PolarHBondContact O-N 2.78Å; D59-V61 VanDerWaalsContact O-N 3.09Å; D59-E62 WeakPolarHBondContact O-CA 3.42Å; D59-E62 WeakPolarHBondContact O-CB 3.39Å; D59-E62 PolarHBondContact O-N 2.83Å; D59-K63 PolarHBondContact O-N 3.19Å; D59-K63 WeakPolarHBondContact OD1-CE 3.42Å; D59-K63 IonicContact OD1-NZ 3.29Å; D59-K63 WeakPolarHBondContact OD2-CE 3.48Å; D59-K63 IonicContact OD2-NZ 2.89Å
60V97.8Very high96.8Very high0 Ų037.5 Ų37.50%018%0.184CC..Hα-helixtrans-51.1-38.1-177.366.30000113.5F49 V52 Q53 L56 G57 N58 E62 K63 Y64 V67F49-V60 HydrophobicContact CE2-CG1 3.66Å; F49-V60 HydrophobicContact CZ-CG1 4.01Å; V52-V60 HydrophobicContact CG1-CG2 4.11Å; Q53-V60 HydrophobicContact CG-CG1 3.88Å; L56-V60 HydrophobicContact CB-CB 4.23Å; L56-V60 HydrophobicContact CB-CG2 3.74Å; L56-V60 HydrophobicContact CD1-CG2 3.88Å; L56-V60 HydrophobicContact CG-CG2 4.46Å; G57-V60 WeakPolarHBondContact O-CB 3.46Å; G57-V60 PolarHBondContact O-N 2.82Å; G57-V60 VanDerWaalsContact O-N 3.11Å; N58-V60 VanDerWaalsContact C-N 3.29Å; N58-V60 PolarHBondContact O-N 3.38Å; V60-E62 PolarHBondContact O-N 3.23Å; V60-K63 PolarHBondContact O-N 2.9Å; V60-Y64 HydrophobicContact CG2-CD2 3.66Å; V60-Y64 HydrophobicContact CG2-CE2 3.87Å; V60-Y64 WeakPolarHBondContact O-CD2 3.43Å; V60-Y64 PolarHBondContact O-N 2.96Å; V60-V67 HydrophobicContact CG1-CG1 4.39Å; V60-V67 HydrophobicContact CG2-CG1 4.18Å; V60-V67 HydrophobicContact CG2-CG2 4.06Å
61V97.8Very high96.9Very high23 Ų2332.9 Ų32.914%0.13916%0.163CC..Hα-helixtrans-70.3-17.7-179.5-61.20000113.4F49 D59 V67 Y76 G79F49-V61 HydrophobicContact CE2-CG1 3.63Å; F49-V61 HydrophobicContact CZ-CG1 3.61Å; D59-V61 PolarHBondContact O-N 2.78Å; D59-V61 VanDerWaalsContact O-N 3.09Å; V61-V67 HydrophobicContact CG1-CG2 4.3Å; V61-Y76 HydrophobicContact CB-CD1 4.46Å; V61-Y76 HydrophobicContact CG1-CD1 3.7Å; V61-Y76 HydrophobicContact CG1-CD2 4.19Å; V61-Y76 HydrophobicContact CG1-CE1 4.19Å; V61-Y76 HydrophobicContact CG1-CG 3.71Å; V61-G79 VanDerWaalsContact O-CA 3.3Å; V61-G79 WeakPolarHBondContact O-CA 3.38Å; V61-G79 PolarHBondContact O-N 3.47Å
62E98Very high97.2Very high140 Ų14029.9 Ų29.965%0.65415%0.15SC*.Hα-helixtrans-89.7-29.2174.6-59.8174.8-168.500111.1R36 D59 V60R36-E62 PolarHBondContact NH1-O 3.02Å; D59-E62 WeakPolarHBondContact O-CA 3.42Å; D59-E62 WeakPolarHBondContact O-CB 3.39Å; D59-E62 PolarHBondContact O-N 2.83Å; V60-E62 PolarHBondContact O-N 3.23Å
63K98.1Very high97.2Very high31 Ų3130 Ų3014%0.13515%0.15CC..Hα-helixtrans-80.4-26.7-176.8-75.1-175.3171.3-170.90114.9D29 Q33 R36 D59 V60D29-K63 IonicContact OD1-NZ 3.43Å; D29-K63 PolarHBondContact OD1-NZ 3.22Å; D29-K63 IonicContact OD2-NZ 3.82Å; D29-K63 PolarHBondContact OD2-NZ 2.72Å; Q33-K63 PolarHBondContact NE2-O 2.85Å; Q33-K63 PolarHBondContact OE1-O 3.42Å; R36-K63 WeakPolarHBondContact CD-O 3.31Å; R36-K63 PolarHBondContact NH1-O 3.12Å; D59-K63 PolarHBondContact O-N 3.19Å; D59-K63 WeakPolarHBondContact OD1-CE 3.42Å; D59-K63 IonicContact OD1-NZ 3.29Å; D59-K63 WeakPolarHBondContact OD2-CE 3.48Å; D59-K63 IonicContact OD2-NZ 2.89Å; V60-K63 PolarHBondContact O-N 2.9Å
64Y98.7Very high97.2Very high1 Ų128.2 Ų28.20%0.00414%0.142CC..  trans-121.5148.8-178.7-60-93.5000110.1L17 L32 I41 V43 L56 V60 Y66L17-Y64 HydrophobicContact CD1-CE1 4.46Å; L32-Y64 HydrophobicContact CD1-CE1 4.16Å; L32-Y64 VanDerWaalsContact CD1-OH 3.31Å; L32-Y64 WeakPolarHBondContact CD1-OH 3.5Å; I41-Y64 HydrophobicContact CB-CD1 4.47Å; I41-Y64 HydrophobicContact CD1-CD1 3.62Å; I41-Y64 HydrophobicContact CD1-CE1 3.89Å; I41-Y64 HydrophobicContact CD1-CG 4.48Å; I41-Y64 HydrophobicContact CG1-CD1 3.86Å; V43-Y64 HydrophobicContact CG1-CD1 3.63Å; V43-Y64 HydrophobicContact CG1-CE1 3.47Å; V43-Y64 VanDerWaalsContact CG1-CE1 3.47Å; V43-Y64 HydrophobicContact CG1-CE2 4.43Å; V43-Y64 HydrophobicContact CG1-CG 4.17Å; L56-Y64 HydrophobicContact CB-CE2 4.4Å; L56-Y64 HydrophobicContact CD1-CE2 4.08Å; V60-Y64 HydrophobicContact CG2-CD2 3.66Å; V60-Y64 HydrophobicContact CG2-CE2 3.87Å; V60-Y64 WeakPolarHBondContact O-CD2 3.43Å; V60-Y64 PolarHBondContact O-N 2.96Å; Y64-Y66 VanDerWaalsContact C-N 3.31Å
65D98.6Very high97.4Very high3 Ų322.7 Ų22.72%0.01612%0.117CC..SBendtrans-73-30.8176.9-55.9-72.9000111.3R36 K40 I41 K77 D78R36-D65 IonicContact CZ-OD1 3.81Å; R36-D65 IonicContact NE-OD1 2.83Å; R36-D65 PolarHBondContact NE-OD1 3.22Å; R36-D65 VanDerWaalsContact NE-OD1 3.1Å; R36-D65 IonicContact NE-OD2 2.68Å; R36-D65 PolarHBondContact NE-OD2 3.38Å; R36-D65 IonicContact NH2-OD1 3.05Å; R36-D65 PolarHBondContact NH2-OD1 2.87Å; K40-D65 WeakPolarHBondContact CA-OD2 3.47Å; K40-D65 HydrophobicContact CD-CB 3.81Å; K40-D65 WeakPolarHBondContact CD-OD1 3.43Å; K40-D65 WeakPolarHBondContact CD-OD2 3.46Å; K40-D65 IonicContact NZ-OD1 3.75Å; K40-D65 PolarHBondContact NZ-OD1 2.96Å; I41-D65 PolarHBondContact N-OD2 3.39Å; I41-D65 WeakPolarHBondContact O-CB 3.46Å; I41-D65 PolarHBondContact O-N 3.04Å; D65-K77 WeakPolarHBondContact O-CA 3.18Å; D65-D78 PolarHBondContact O-N 3.34Å
66Y98.8Very high97.5Very high5 Ų524.7 Ų24.72%0.0212%0.124CC..EExtended strand (participates in β ladder)trans-132.1139173.8-55.8-93.2000111.7L8 I41 G42 V43 Y64 F68 Y76 K77 V196 D199 Y201L8-Y66 HydrophobicContact CD1-CD2 3.81Å; L8-Y66 HydrophobicContact CD1-CE2 4.01Å; L8-Y66 HydrophobicContact CD2-CD2 4.39Å; L8-Y66 HydrophobicContact CD2-CE2 4.39Å; I41-Y66 PolarHBondContact O-N 3.1Å; G42-Y66 CarbonylContact C-O 3.57Å; G42-Y66 WeakPolarHBondContact CA-O 3.31Å; V43-Y66 PolarHBondContact N-O 2.76Å; Y64-Y66 VanDerWaalsContact C-N 3.31Å; Y66-F68 HydrophobicContact CD1-CE1 4.3Å; Y66-F68 HydrophobicContact CD1-CE2 4.31Å; Y66-F68 AromaticContact CD1-CZ 3.59Å; Y66-F68 HydrophobicContact CD1-CZ 3.59Å; Y66-F68 HydrophobicContact CG-CE2 4.13Å; Y66-F68 AromaticContact CG-CZ 3.87Å; Y66-F68 HydrophobicContact CG-CZ 3.87Å; Y66-Y76 WeakPolarHBondContact CA-O 3.42Å; Y66-K77 HydrophobicContact CD1-CB 4.16Å; Y66-K77 HydrophobicContact CD1-CD 4.35Å; Y66-K77 HydrophobicContact CD1-CG 3.99Å; Y66-K77 HydrophobicContact CE1-CB 4.21Å; Y66-K77 HydrophobicContact CE1-CD 3.58Å; Y66-K77 HydrophobicContact CE1-CG 3.59Å; Y66-K77 WeakPolarHBondContact OH-CE 3.46Å; Y66-K77 PolarHBondContact OH-NZ 3.42Å; Y66-V196 HydrophobicContact CD1-CG1 3.84Å; Y66-V196 HydrophobicContact CD2-CG1 4.46Å; Y66-V196 HydrophobicContact CE1-CG1 3.76Å; Y66-V196 HydrophobicContact CE2-CG1 4.43Å; Y66-V196 HydrophobicContact CG-CG1 4.2Å; Y66-D199 PolarHBondContact OH-OD2 3.25Å; Y66-Y201 HydrophobicContact CE2-CE2 4.15Å; Y66-Y201 VanDerWaalsContact CE2-OH 3.25Å; Y66-Y201 WeakPolarHBondContact CE2-OH 3.47Å; Y66-Y201 PolarHBondContact OH-OH 3.42Å
67V98.8Very high97.5Very high1 Ų126.9 Ų26.91%0.00613%0.134CC..EExtended strand (participates in β ladder)trans-131.5118.3172.5-173.60000108V43 F49 V52 V60 V61 P69 Y76V43-V67 HydrophobicContact CG2-CB 4.24Å; V43-V67 HydrophobicContact CG2-CG1 3.82Å; V43-V67 HydrophobicContact CG2-CG2 4.22Å; F49-V67 HydrophobicContact CD2-CG1 4.49Å; F49-V67 HydrophobicContact CE2-CG1 4.29Å; V52-V67 HydrophobicContact CG1-CG1 4.1Å; V60-V67 HydrophobicContact CG1-CG1 4.39Å; V60-V67 HydrophobicContact CG2-CG1 4.18Å; V60-V67 HydrophobicContact CG2-CG2 4.06Å; V61-V67 HydrophobicContact CG1-CG2 4.3Å; V67-P69 VanDerWaalsContact C-CD 3.48Å; V67-P69 HydrophobicContact CG1-CG 4.27Å; V67-P69 WeakPolarHBondContact O-CD 3.43Å; V67-Y76 PolarHBondContact N-O 2.59Å; V67-Y76 PolarHBondContact O-N 3.35Å
68F98.5Very high97.5Very high1 Ų131 Ų310%0.00415%0.154CC..EExtended strand (participates in β ladder)trans-120.175.4-174.6-60.1-52.7000112.1L10 V43 V44 G45 Y66 A75 C192 H195 V196L10-F68 HydrophobicContact CD2-CD2 4.24Å; L10-F68 HydrophobicContact CD2-CE2 3.95Å; V43-F68 WeakPolarHBondContact O-CB 3.39Å; V43-F68 PolarHBondContact O-N 3.04Å; V44-F68 WeakPolarHBondContact CA-O 3.47Å; V44-F68 HydrophobicContact CB-CB 4Å; V44-F68 HydrophobicContact CB-CD2 4.39Å; V44-F68 HydrophobicContact CG2-CB 3.96Å; G45-F68 PolarHBondContact N-O 3.28Å; G45-F68 VanDerWaalsContact N-O 3.08Å; Y66-F68 HydrophobicContact CD1-CE1 4.3Å; Y66-F68 HydrophobicContact CD1-CE2 4.31Å; Y66-F68 AromaticContact CD1-CZ 3.59Å; Y66-F68 HydrophobicContact CD1-CZ 3.59Å; Y66-F68 HydrophobicContact CG-CE2 4.13Å; Y66-F68 AromaticContact CG-CZ 3.87Å; Y66-F68 HydrophobicContact CG-CZ 3.87Å; F68-A75 HydrophobicContact CD1-CB 3.7Å; F68-A75 HydrophobicContact CE1-CB 3.79Å; F68-C192 HydrophobicContact CB-CB 3.95Å; F68-C192 HydrophobicContact CD1-CB 4.15Å; F68-C192 HydrophobicContact CD2-CB 3.59Å; F68-C192 HydrophobicContact CE2-CB 4.03Å; F68-C192 HydrophobicContact CG-CB 3.64Å; F68-C192 HydrophobicContact CZ-CB 4.5Å; F68-H195 AromaticContact CD1-CD2 3.96Å; F68-H195 HydrophobicContact CE1-CB 3.74Å; F68-H195 AromaticContact CE1-CD2 3.63Å; F68-H195 HydrophobicContact CZ-CB 3.87Å; F68-V196 HydrophobicContact CE2-CG1 3.99Å; F68-V196 HydrophobicContact CZ-CG1 3.72Å
69P96.6Very high97.5Very high0 Ų026.5 Ų26.50%014%0.139CC..SBendtrans-64.6159.3167.6-14.130.2000111G45 F49 V52 V67 N71 G72 V74G45-P69 CarbonylContact O-C 3.55Å; F49-P69 HydrophobicContact CB-CB 4.17Å; F49-P69 HydrophobicContact CB-CG 3.84Å; F49-P69 HydrophobicContact CD2-CG 3.62Å; F49-P69 HydrophobicContact CG-CG 4.2Å; V52-P69 HydrophobicContact CG2-CB 4.38Å; V67-P69 VanDerWaalsContact C-CD 3.48Å; V67-P69 HydrophobicContact CG1-CG 4.27Å; V67-P69 WeakPolarHBondContact O-CD 3.43Å; P69-N71 PolarHBondContact O-N 3Å; P69-G72 WeakPolarHBondContact O-CA 3.32Å; P69-G72 PolarHBondContact O-N 3.02Å; P69-V74 HydrophobicContact CB-CB 4.33Å; P69-V74 VanDerWaalsContact CD-O 3.28Å; P69-V74 WeakPolarHBondContact CD-O 3.28Å; P69-V74 HydrophobicContact CG-CB 4.38Å; P69-V74 HydrophobicContact CG-CG1 4.47Å; P69-V74 PolarHBondContact O-N 3.34Å
70E94.9Very high97.6Very high32 Ų3231 Ų3115%0.1516%0.155CC..G310 helixtrans48.248.3-179.2-54.8-176.8-125.400112.4G45 S47 G72 L73 N124G45-E70 PolarHBondContact O-N 3.23Å; S47-E70 PolarHBondContact O-N 3.23Å; E70-G72 PolarHBondContact O-N 2.82Å; E70-G72 VanDerWaalsContact O-N 3.09Å; E70-L73 HydrophobicContact CB-CB 4.14Å; E70-L73 HydrophobicContact CB-CD1 4.34Å; E70-L73 WeakPolarHBondContact O-CB 3.25Å; E70-L73 WeakPolarHBondContact O-CD1 3.4Å; E70-L73 VanDerWaalsContact O-CG 3.22Å; E70-L73 WeakPolarHBondContact O-CG 3.48Å; E70-L73 PolarHBondContact O-N 3.29Å; E70-N124 PolarHBondContact OE1-ND2 3.25Å; E70-N124 WeakPolarHBondContact OE2-CB 3.35Å; E70-N124 PolarHBondContact OE2-ND2 2.76Å
71N96.3Very high97.6Very high20 Ų2035.7 Ų35.711%0.10718%0.18CC..G310 helixtrans60.514.1-177.2-58.4-24.4000115.1G45 G46 P69 W187 C192G45-N71 PolarHBondContact O-N 3.32Å; G46-N71 WeakPolarHBondContact CA-OD1 3.41Å; P69-N71 PolarHBondContact O-N 3Å; N71-W187 PolarHBondContact ND2-O 2.71Å; N71-C192 PolarHBondContact O-N 3.27Å
72G97.2Very high97.5Very high0 Ų038.8 Ų38.80%020%0.195CC..G310 helixtrans97.58.8-17600000114.4P69 E70 V74 Y191 H195P69-G72 WeakPolarHBondContact O-CA 3.32Å; P69-G72 PolarHBondContact O-N 3.02Å; E70-G72 PolarHBondContact O-N 2.82Å; E70-G72 VanDerWaalsContact O-N 3.09Å; G72-V74 CarbonylContact C-O 3.5Å; G72-V74 WeakPolarHBondContact CA-O 3.36Å; G72-Y191 WeakPolarHBondContact O-CD1 3.38Å; G72-Y191 VanDerWaalsContact O-CE1 3.28Å; G72-Y191 WeakPolarHBondContact O-CE1 3.43Å; G72-H195 PolarHBondContact O-NE2 3.16Å
73L96.1Very high97.2Very high4 Ų433.9 Ų33.92%0.02118%0.176CC..THydrogen-bonded Turntrans-64.9-34.6168.8-66.2170.7000111.2E70 K84 Q85 W187 Y191E70-L73 HydrophobicContact CB-CB 4.14Å; E70-L73 HydrophobicContact CB-CD1 4.34Å; E70-L73 WeakPolarHBondContact O-CB 3.25Å; E70-L73 WeakPolarHBondContact O-CD1 3.4Å; E70-L73 VanDerWaalsContact O-CG 3.22Å; E70-L73 WeakPolarHBondContact O-CG 3.48Å; E70-L73 PolarHBondContact O-N 3.29Å; L73-K84 CarbonylContact O-C 3.46Å; L73-K84 VanDerWaalsContact O-CA 3.27Å; L73-K84 WeakPolarHBondContact O-CA 3.44Å; L73-Q85 HydrophobicContact CD2-CB 4.12Å; L73-Q85 HydrophobicContact CD2-CG 4.33Å; L73-Q85 PolarHBondContact O-N 2.83Å; L73-W187 HydrophobicContact CD1-CD2 4.31Å; L73-W187 HydrophobicContact CD1-CE3 3.51Å; L73-W187 HydrophobicContact CD1-CZ3 3.73Å; L73-W187 HydrophobicContact CD2-CD2 3.6Å; L73-W187 HydrophobicContact CD2-CE3 3.49Å; L73-W187 VanDerWaalsContact CD2-CE3 3.49Å; L73-W187 HydrophobicContact CD2-CG 4.3Å; L73-W187 HydrophobicContact CD2-CH2 3.81Å; L73-W187 HydrophobicContact CD2-CZ2 3.91Å; L73-W187 HydrophobicContact CD2-CZ3 3.63Å; L73-W187 HydrophobicContact CG-CE3 4.12Å; L73-W187 HydrophobicContact CG-CZ3 4.35Å; L73-Y191 HydrophobicContact CD2-CD1 4.08Å; L73-Y191 HydrophobicContact CD2-CD2 4.16Å; L73-Y191 HydrophobicContact CD2-CE1 3.75Å; L73-Y191 HydrophobicContact CD2-CE2 3.82Å; L73-Y191 HydrophobicContact CD2-CG 4.28Å; L73-Y191 HydrophobicContact CG-CD1 4.45Å; L73-Y191 HydrophobicContact CG-CE1 4.42Å
74V96.4Very high97Very high8 Ų839.2 Ų39.25%0.04820%0.199CC..EExtended strand (participates in β ladder)trans-98.3131.4158.7-173.40000106.6P69 G72 Y76 L81 C83 K84P69-V74 HydrophobicContact CB-CB 4.33Å; P69-V74 VanDerWaalsContact CD-O 3.28Å; P69-V74 WeakPolarHBondContact CD-O 3.28Å; P69-V74 HydrophobicContact CG-CB 4.38Å; P69-V74 HydrophobicContact CG-CG1 4.47Å; P69-V74 PolarHBondContact O-N 3.34Å; G72-V74 CarbonylContact C-O 3.5Å; G72-V74 WeakPolarHBondContact CA-O 3.36Å; V74-Y76 HydrophobicContact CG1-CD2 4.26Å; V74-Y76 HydrophobicContact CG1-CE2 3.62Å; V74-L81 HydrophobicContact CG1-CD1 4.01Å; V74-C83 WeakPolarHBondContact CA-O 3.37Å; V74-K84 HydrophobicContact CG2-CG 4.26Å
75A98Very high96.8Very high0 Ų041.9 Ų41.90%021%0.212CC..EExtended strand (participates in β ladder)trans-135132.4179.400000110.5F68 L82 C83F68-A75 HydrophobicContact CD1-CB 3.7Å; F68-A75 HydrophobicContact CE1-CB 3.79Å; A75-L82 HydrophobicContact CB-CB 4.19Å; A75-L82 HydrophobicContact CB-CD2 4.41Å; A75-L82 WeakPolarHBondContact O-CB 3.34Å; A75-L82 PolarHBondContact O-N 2.84Å; A75-C83 PolarHBondContact N-O 3.46Å; A75-C83 PolarHBondContact O-N 2.97Å
76Y98.6Very high96.5Very high45 Ų4543.5 Ų43.518%0.17622%0.22CC..EExtended strand (participates in β ladder)trans-114.9141.8167.4-64.1-101.2000109.7F49 V61 Y66 V67 V74 K80 L81F49-Y76 HydrophobicContact CD2-CD2 4.35Å; F49-Y76 AromaticContact CD2-CE2 3.8Å; F49-Y76 HydrophobicContact CD2-CE2 3.8Å; F49-Y76 HydrophobicContact CE2-CD2 4.17Å; F49-Y76 AromaticContact CE2-CE2 3.81Å; F49-Y76 HydrophobicContact CE2-CE2 3.81Å; F49-Y76 HydrophobicContact CG-CE2 4.19Å; F49-Y76 HydrophobicContact CZ-CE2 4.24Å; V61-Y76 HydrophobicContact CB-CD1 4.46Å; V61-Y76 HydrophobicContact CG1-CD1 3.7Å; V61-Y76 HydrophobicContact CG1-CD2 4.19Å; V61-Y76 HydrophobicContact CG1-CE1 4.19Å; V61-Y76 HydrophobicContact CG1-CG 3.71Å; Y66-Y76 WeakPolarHBondContact CA-O 3.42Å; V67-Y76 PolarHBondContact N-O 2.59Å; V67-Y76 PolarHBondContact O-N 3.35Å; V74-Y76 HydrophobicContact CG1-CD2 4.26Å; V74-Y76 HydrophobicContact CG1-CE2 3.62Å; Y76-K80 CarbonylContact C-O 3.52Å; Y76-K80 WeakPolarHBondContact CA-O 3.46Å; Y76-L81 HydrophobicContact CD1-CB 4.17Å; Y76-L81 HydrophobicContact CD1-CD1 4.42Å; Y76-L81 HydrophobicContact CD2-CD1 4.45Å; Y76-L81 HydrophobicContact CE1-CB 3.89Å; Y76-L81 HydrophobicContact CE1-CD1 3.98Å; Y76-L81 HydrophobicContact CE2-CD1 4Å
77K98.4Very high96.3Very high47 Ų4743.3 Ų43.320%0.20422%0.219CC..EExtended strand (participates in β ladder)trans-137.2129175.2-179.9177.1-175.7164.30109D65 Y66 G79 K80 L82 D199D65-K77 WeakPolarHBondContact O-CA 3.18Å; Y66-K77 HydrophobicContact CD1-CB 4.16Å; Y66-K77 HydrophobicContact CD1-CD 4.35Å; Y66-K77 HydrophobicContact CD1-CG 3.99Å; Y66-K77 HydrophobicContact CE1-CB 4.21Å; Y66-K77 HydrophobicContact CE1-CD 3.58Å; Y66-K77 HydrophobicContact CE1-CG 3.59Å; Y66-K77 WeakPolarHBondContact OH-CE 3.46Å; Y66-K77 PolarHBondContact OH-NZ 3.42Å; K77-G79 VanDerWaalsContact C-N 3.25Å; K77-G79 PolarHBondContact O-N 3.1Å; K77-K80 PolarHBondContact N-O 3.24Å; K77-K80 PolarHBondContact O-N 3.11Å; K77-L82 HydrophobicContact CB-CD2 4.44Å; K77-D199 IonicContact NZ-OD1 3.34Å; K77-D199 PolarHBondContact NZ-OD1 2.84Å; K77-D199 IonicContact NZ-OD2 2.69Å; K77-D199 PolarHBondContact NZ-OD2 3.43Å
78D97.2Very high96Very high94 Ų9446 Ų4650%0.50323%0.232SC..THydrogen-bonded Turntrans49.346.2-180-58.1-51.7000112.6D65 K80D65-D78 PolarHBondContact O-N 3.34Å; D78-K80 PolarHBondContact O-N 3.22Å
79G96.7Very high95.8Very high37 Ų3749.9 Ų49.938%0.38126%0.259SS..THydrogen-bonded Turntrans76-2.5-179.400000115.9V61 K77V61-G79 VanDerWaalsContact O-CA 3.3Å; V61-G79 WeakPolarHBondContact O-CA 3.38Å; V61-G79 PolarHBondContact O-N 3.47Å; K77-G79 VanDerWaalsContact C-N 3.25Å; K77-G79 PolarHBondContact O-N 3.1Å
80K97.8Very high95.7Very high160 Ų16054.5 Ų54.570%0.69628%0.281SS*.EExtended strand (participates in β ladder)trans-111.2141.6-175.6-64.6178.7-177.4175.10111.8Y76 K77 D78 L82Y76-K80 CarbonylContact C-O 3.52Å; Y76-K80 WeakPolarHBondContact CA-O 3.46Å; K77-K80 PolarHBondContact N-O 3.24Å; K77-K80 PolarHBondContact O-N 3.11Å; D78-K80 PolarHBondContact O-N 3.22Å; K80-L82 PolarHBondContact O-N 3.29Å
81L97.5Very high95.8Very high97 Ų9754.4 Ų54.451%0.50828%0.281SS..EExtended strand (participates in β ladder)trans-64.6119.7170.9-178.369.9000109.2V74 Y76V74-L81 HydrophobicContact CG1-CD1 4.01Å; Y76-L81 HydrophobicContact CD1-CB 4.17Å; Y76-L81 HydrophobicContact CD1-CD1 4.42Å; Y76-L81 HydrophobicContact CD2-CD1 4.45Å; Y76-L81 HydrophobicContact CE1-CB 3.89Å; Y76-L81 HydrophobicContact CE1-CD1 3.98Å; Y76-L81 HydrophobicContact CE2-CD1 4Å
82L95.8Very high95.8Very high89 Ų8954.9 Ų54.947%0.46629%0.291SS..EExtended strand (participates in β ladder)trans-91.4-50.2179.4-179.564.3000111.1A75 K77 K80 H195A75-L82 HydrophobicContact CB-CB 4.19Å; A75-L82 HydrophobicContact CB-CD2 4.41Å; A75-L82 WeakPolarHBondContact O-CB 3.34Å; A75-L82 PolarHBondContact O-N 2.84Å; K77-L82 HydrophobicContact CB-CD2 4.44Å; K80-L82 PolarHBondContact O-N 3.29Å; L82-H195 HydrophobicContact CD2-CB 4.17Å
83C93.3Very high95.8Very high36 Ų3660 Ų6024%0.24332%0.315CS..EExtended strand (participates in β ladder)trans-152.6159177.675.20000112.6V74 A75 H195V74-C83 WeakPolarHBondContact CA-O 3.37Å; A75-C83 PolarHBondContact N-O 3.46Å; A75-C83 PolarHBondContact O-N 2.97Å; C83-H195 PolarHBondContact SG-CE1 3.41Å
84K93.4Very high95.9Very high144 Ų14463.2 Ų63.263%0.62634%0.342SS*.EExtended strand (participates in β ladder)trans-137.9118.5165.4-178.1164-178.1169.40108.3L73 V74L73-K84 CarbonylContact O-C 3.46Å; L73-K84 VanDerWaalsContact O-CA 3.27Å; L73-K84 WeakPolarHBondContact O-CA 3.44Å; V74-K84 HydrophobicContact CG2-CG 4.26Å
85Q93.1Very high96Very high57 Ų5764 Ų6427%0.26635%0.346SS..  trans-115.5151.2177.5-173.958.1-80.600110.2L73 N124 W187L73-Q85 HydrophobicContact CD2-CB 4.12Å; L73-Q85 HydrophobicContact CD2-CG 4.33Å; L73-Q85 PolarHBondContact O-N 2.83Å; Q85-N124 PolarHBondContact O-ND2 2.86Å; Q85-N124 PolarHBondContact O-OD1 2.88Å; Q85-W187 HydrophobicContact CG-CH2 3.87Å; Q85-W187 HydrophobicContact CG-CZ2 3.87Å
86N92.4Very high96Very high36 Ų3664.2 Ų64.219%0.19335%0.347CS..  trans-137.6154.217767.549.2000112.4Q88 S89 H90 N124 W187N86-Q88 VanDerWaalsContact C-N 3.33Å; N86-Q88 PolarHBondContact O-N 3.11Å; N86-Q88 WeakPolarHBondContact OD1-CG 3.41Å; N86-Q88 PolarHBondContact OD1-NE2 3.1Å; N86-Q88 PolarHBondContact OD1-OE1 3.19Å; N86-Q88 VanDerWaalsContact OD1-OE1 3.09Å; N86-S89 PolarHBondContact ND2-OG 3.19Å; N86-S89 PolarHBondContact O-N 3.25Å; N86-S89 WeakPolarHBondContact OD1-CB 3.07Å; N86-S89 PolarHBondContact OD1-N 3.26Å; N86-S89 PolarHBondContact OD1-OG 3.36Å; N86-H90 PolarHBondContact O-N 2.95Å; N86-N124 CarbonylContact C-O 3.47Å; N86-N124 VanDerWaalsContact CA-O 3.3Å; N86-N124 WeakPolarHBondContact CA-O 3.33Å; N86-N124 WeakPolarHBondContact CB-OD1 3.3Å; N86-W187 WeakPolarHBondContact O-CH2 3.41Å
87I94.9Very high96Very high1 Ų167 Ų671%0.00536%0.361CS..Hα-helixtrans-61.9-38.3-169.9-164.9-179.6000112.8H90 L91 I96 F122 N124 L127 P184 W187I87-H90 PolarHBondContact O-N 2.89Å; I87-L91 HydrophobicContact CD1-CD1 3.9Å; I87-L91 HydrophobicContact CG1-CD1 3.68Å; I87-L91 HydrophobicContact CG1-CG 4.09Å; I87-L91 WeakPolarHBondContact O-CB 3.22Å; I87-L91 PolarHBondContact O-N 3.1Å; I87-I96 HydrophobicContact CD1-CD1 4.11Å; I87-I96 HydrophobicContact CG1-CD1 4.04Å; I87-I96 HydrophobicContact CG2-CD1 4.11Å; I87-F122 HydrophobicContact CG2-CE1 3.55Å; I87-F122 HydrophobicContact CG2-CE2 4.33Å; I87-F122 HydrophobicContact CG2-CZ 3.39Å; I87-N124 PolarHBondContact N-O 2.97Å; I87-L127 HydrophobicContact CD1-CG 4.48Å; I87-P184 HydrophobicContact CD1-CG 4.45Å; I87-P184 HydrophobicContact CG1-CG 3.93Å; I87-W187 HydrophobicContact CB-CH2 4.35Å; I87-W187 HydrophobicContact CB-CZ3 3.91Å; I87-W187 HydrophobicContact CG1-CZ3 4.31Å
88Q93.3Very high96Very high57 Ų5769.2 Ų69.227%0.26638%0.376SS..Hα-helixtrans-69.1-35.2-179.566.6-8224.100112.9N86 H90 G92 I96 F122N86-Q88 VanDerWaalsContact C-N 3.33Å; N86-Q88 PolarHBondContact O-N 3.11Å; N86-Q88 WeakPolarHBondContact OD1-CG 3.41Å; N86-Q88 PolarHBondContact OD1-NE2 3.1Å; N86-Q88 PolarHBondContact OD1-OE1 3.19Å; N86-Q88 VanDerWaalsContact OD1-OE1 3.09Å; Q88-H90 VanDerWaalsContact C-N 3.26Å; Q88-H90 PolarHBondContact O-N 2.98Å; Q88-G92 VanDerWaalsContact O-CA 3.23Å; Q88-G92 WeakPolarHBondContact O-CA 3.4Å; Q88-G92 PolarHBondContact O-N 2.86Å; Q88-I96 HydrophobicContact CB-CG1 4.31Å; Q88-F122 HydrophobicContact CB-CZ 4.22Å
89S93.9Very high96.1Very high83 Ų8364.9 Ų64.958%0.5835%0.352SS*.Hα-helixtrans-70.8-27.5175.9-560000111.6N86N86-S89 PolarHBondContact ND2-OG 3.19Å; N86-S89 PolarHBondContact O-N 3.25Å; N86-S89 WeakPolarHBondContact OD1-CB 3.07Å; N86-S89 PolarHBondContact OD1-N 3.26Å; N86-S89 PolarHBondContact OD1-OG 3.36Å
90H95.4Very high96.2Very high98 Ų9865 Ų6545%0.45434%0.344SS..Hα-helixtrans-83.9-47.9179.1-175.968.1000113.3N86 I87 Q88 P184 W187N86-H90 PolarHBondContact O-N 2.95Å; I87-H90 PolarHBondContact O-N 2.89Å; Q88-H90 VanDerWaalsContact C-N 3.26Å; Q88-H90 PolarHBondContact O-N 2.98Å; H90-P184 VanDerWaalsContact CD2-CB 3.49Å; H90-P184 WeakPolarHBondContact CD2-CB 3.37Å; H90-W187 HydrophobicContact CB-CH2 3.78Å; H90-W187 HydrophobicContact CB-CZ2 3.44Å; H90-W187 VanDerWaalsContact CB-CZ2 3.44Å; H90-W187 AromaticContact CD2-CE2 3.98Å; H90-W187 AromaticContact CD2-CZ2 3.72Å; H90-W187 AromaticContact CD2-NE1 3.93Å; H90-W187 AromaticContact CG-CZ2 3.47Å; H90-W187 VanDerWaalsContact CG-CZ2 3.47Å; H90-W187 AromaticContact NE2-NE1 3.9Å
91L95.9Very high96.2Very high29 Ų2961.5 Ų61.515%0.15233%0.333CS..Hα-helixtrans-86.2-22.9-176.5-65.5-174.8000113.3I87 L95 I96 L99 L170 P184I87-L91 HydrophobicContact CD1-CD1 3.9Å; I87-L91 HydrophobicContact CG1-CD1 3.68Å; I87-L91 HydrophobicContact CG1-CG 4.09Å; I87-L91 WeakPolarHBondContact O-CB 3.22Å; I87-L91 PolarHBondContact O-N 3.1Å; L91-L95 HydrophobicContact CB-CD2 4.18Å; L91-L95 HydrophobicContact CD2-CD2 4.08Å; L91-I96 HydrophobicContact CB-CD1 4.31Å; L91-I96 HydrophobicContact CB-CG1 4.2Å; L91-I96 HydrophobicContact CD1-CD1 3.93Å; L91-L99 HydrophobicContact CD1-CD1 4.34Å; L91-L170 HydrophobicContact CD1-CD2 3.65Å; L91-L170 HydrophobicContact CD2-CD2 4.08Å; L91-P184 HydrophobicContact CD1-CG 4.16Å; L91-P184 HydrophobicContact CD2-CB 4.13Å; L91-P184 HydrophobicContact CD2-CG 3.94Å; L91-P184 HydrophobicContact CG-CG 3.98Å
92G97.2Very high96.3Very high31 Ų3159.5 Ų59.532%0.3232%0.319SS..  trans78.5150.7-170.700000113.1Q88 A94 L95 I96Q88-G92 VanDerWaalsContact O-CA 3.23Å; Q88-G92 WeakPolarHBondContact O-CA 3.4Å; Q88-G92 PolarHBondContact O-N 2.86Å; G92-A94 VanDerWaalsContact C-N 3.3Å; G92-A94 PolarHBondContact O-N 3.22Å; G92-L95 PolarHBondContact O-N 2.7Å; G92-I96 WeakPolarHBondContact O-CG1 3.36Å; G92-I96 PolarHBondContact O-N 3.01Å
93E97.4Very high96.4Very high107 Ų10755.4 Ų55.450%0.530%0.297SS..Hα-helixtrans-58.4-37.4-175.4-75.8-64.9158.700113.8I96 Q97E93-I96 PolarHBondContact O-N 2.92Å; E93-Q97 WeakPolarHBondContact O-CB 3.41Å; E93-Q97 VanDerWaalsContact O-CG 3.31Å; E93-Q97 WeakPolarHBondContact O-CG 3.49Å; E93-Q97 PolarHBondContact O-N 2.85Å
94A98.1Very high96.7Very high72 Ų7257.6 Ų57.660%0.59531%0.306SS*.Hα-helixtrans-61-50.6-178.700000111.8G92 I96 Q97 D98G92-A94 VanDerWaalsContact C-N 3.3Å; G92-A94 PolarHBondContact O-N 3.22Å; A94-I96 PolarHBondContact O-N 3Å; A94-Q97 PolarHBondContact O-N 3.48Å; A94-D98 VanDerWaalsContact O-CG 3.31Å; A94-D98 PolarHBondContact O-N 3.04Å
95L98Very high96.9Very high25 Ų2553.8 Ų53.813%0.13130%0.298CS..Hα-helixtrans-67.9-37.1179.8179.957.3000111.8L91 G92 D98 L99 F165 K168L91-L95 HydrophobicContact CB-CD2 4.18Å; L91-L95 HydrophobicContact CD2-CD2 4.08Å; G92-L95 PolarHBondContact O-N 2.7Å; L95-D98 PolarHBondContact O-N 2.88Å; L95-L99 HydrophobicContact CG-CD1 4.38Å; L95-L99 WeakPolarHBondContact O-CG 3.3Å; L95-L99 PolarHBondContact O-N 2.52Å; L95-F165 HydrophobicContact CD1-CD1 3.85Å; L95-F165 HydrophobicContact CD1-CE1 4.05Å; L95-K168 HydrophobicContact CD1-CB 4.3Å; L95-K168 HydrophobicContact CD1-CD 4.38Å; L95-K168 HydrophobicContact CD1-CG 4.29Å; L95-K168 HydrophobicContact CD2-CB 4.24Å
96I98.1Very high97.2Very high4 Ų453.4 Ų53.42%0.02129%0.294CS..Hα-helixtrans-59.6-47.2173.8-74.8-67.1000111.1I87 Q88 L91 G92 E93 A94 L99 I100 F122I87-I96 HydrophobicContact CD1-CD1 4.11Å; I87-I96 HydrophobicContact CG1-CD1 4.04Å; I87-I96 HydrophobicContact CG2-CD1 4.11Å; Q88-I96 HydrophobicContact CB-CG1 4.31Å; L91-I96 HydrophobicContact CB-CD1 4.31Å; L91-I96 HydrophobicContact CB-CG1 4.2Å; L91-I96 HydrophobicContact CD1-CD1 3.93Å; G92-I96 WeakPolarHBondContact O-CG1 3.36Å; G92-I96 PolarHBondContact O-N 3.01Å; E93-I96 PolarHBondContact O-N 2.92Å; A94-I96 PolarHBondContact O-N 3Å; I96-L99 PolarHBondContact O-N 3.12Å; I96-I100 HydrophobicContact CG2-CD1 3.72Å; I96-I100 VanDerWaalsContact O-CG1 3.3Å; I96-I100 WeakPolarHBondContact O-CG1 3.42Å; I96-I100 PolarHBondContact O-N 2.64Å; I96-F122 HydrophobicContact CD1-CE2 4.43Å; I96-F122 HydrophobicContact CD1-CZ 4.49Å; I96-F122 HydrophobicContact CG2-CE2 3.84Å
97Q98.5Very high97.5Very high103 Ų10352 Ų5248%0.48129%0.287SS..Hα-helixtrans-66.7-39.9179.1-73-179.944.800111.7E93 A94 L99 I100 N101E93-Q97 WeakPolarHBondContact O-CB 3.41Å; E93-Q97 VanDerWaalsContact O-CG 3.31Å; E93-Q97 WeakPolarHBondContact O-CG 3.49Å; E93-Q97 PolarHBondContact O-N 2.85Å; A94-Q97 PolarHBondContact O-N 3.48Å; Q97-L99 VanDerWaalsContact C-N 3.34Å; Q97-L99 PolarHBondContact O-N 2.89Å; Q97-I100 PolarHBondContact O-N 3.25Å; Q97-N101 WeakPolarHBondContact O-CB 3.41Å; Q97-N101 PolarHBondContact O-N 3.28Å; Q97-N101 PolarHBondContact O-ND2 3.42Å; Q97-N101 VanDerWaalsContact O-ND2 3.16Å
98D98.6Very high97.6Very high94 Ų9455.1 Ų55.150%0.50331%0.313SS..Hα-helixtrans-58.5-46174.6-72-18.9000111.3A94 L95 N101 Y102 F165A94-D98 VanDerWaalsContact O-CG 3.31Å; A94-D98 PolarHBondContact O-N 3.04Å; L95-D98 PolarHBondContact O-N 2.88Å; D98-N101 PolarHBondContact O-N 3.17Å; D98-Y102 VanDerWaalsContact O-CB 3.29Å; D98-Y102 WeakPolarHBondContact O-CB 3.41Å; D98-Y102 PolarHBondContact O-N 3.31Å; D98-F165 HydrophobicContact CB-CE1 3.94Å; D98-F165 HydrophobicContact CB-CZ 4.33Å
99L98.3Very high97.9Very high2 Ų260.3 Ų60.31%0.0134%0.335CS..Hα-helixtrans-60.4-48.7176.1-78.3165.7000112.4L91 L95 I96 Q97 Y102 C103 L127 F165 L170 V182L91-L99 HydrophobicContact CD1-CD1 4.34Å; L95-L99 HydrophobicContact CG-CD1 4.38Å; L95-L99 WeakPolarHBondContact O-CG 3.3Å; L95-L99 PolarHBondContact O-N 2.52Å; I96-L99 PolarHBondContact O-N 3.12Å; Q97-L99 VanDerWaalsContact C-N 3.34Å; Q97-L99 PolarHBondContact O-N 2.89Å; L99-Y102 PolarHBondContact O-N 2.79Å; L99-C103 WeakPolarHBondContact O-CB 3.39Å; L99-C103 PolarHBondContact O-N 2.93Å; L99-C103 PolarHBondContact O-SG 3.22Å; L99-L127 HydrophobicContact CB-CD1 4.36Å; L99-F165 HydrophobicContact CB-CZ 4.44Å; L99-F165 HydrophobicContact CD2-CD1 3.8Å; L99-F165 HydrophobicContact CD2-CD2 3.62Å; L99-F165 HydrophobicContact CD2-CE1 3.77Å; L99-F165 HydrophobicContact CD2-CE2 3.61Å; L99-F165 HydrophobicContact CD2-CG 3.74Å; L99-F165 HydrophobicContact CD2-CZ 3.69Å; L99-F165 HydrophobicContact CG-CD1 4.15Å; L99-F165 HydrophobicContact CG-CE1 3.85Å; L99-F165 HydrophobicContact CG-CE2 4.45Å; L99-F165 HydrophobicContact CG-CZ 4.03Å; L99-L170 HydrophobicContact CD1-CD1 3.65Å; L99-L170 HydrophobicContact CD1-CD2 4.16Å; L99-L170 HydrophobicContact CD2-CD1 3.49Å; L99-L170 VanDerWaalsContact CD2-CD1 3.49Å; L99-L170 HydrophobicContact CG-CD1 4.01Å; L99-V182 HydrophobicContact CD2-CG1 4.46Å
100I98.6Very high98Very high40 Ų4057.4 Ų57.421%0.20531%0.313CS..Hα-helixtrans-62.6-48.6-179.7-71169.4000110.1I96 Q97 Y102 C103 L104 I120 F122 L127I96-I100 HydrophobicContact CG2-CD1 3.72Å; I96-I100 VanDerWaalsContact O-CG1 3.3Å; I96-I100 WeakPolarHBondContact O-CG1 3.42Å; I96-I100 PolarHBondContact O-N 2.64Å; Q97-I100 PolarHBondContact O-N 3.25Å; I100-Y102 VanDerWaalsContact C-N 3.34Å; I100-Y102 PolarHBondContact O-N 3.23Å; I100-C103 PolarHBondContact O-N 3.01Å; I100-L104 HydrophobicContact CG2-CD1 3.83Å; I100-L104 HydrophobicContact CG2-CG 4.28Å; I100-L104 WeakPolarHBondContact O-CB 3.41Å; I100-L104 VanDerWaalsContact O-CG 3.31Å; I100-L104 WeakPolarHBondContact O-CG 3.33Å; I100-L104 PolarHBondContact O-N 2.94Å; I100-I120 HydrophobicContact CG2-CD1 4.11Å; I100-F122 HydrophobicContact CD1-CD2 4.31Å; I100-F122 HydrophobicContact CD1-CE2 4.39Å; I100-L127 HydrophobicContact CG1-CD1 4.05Å
101N98.8Very high98.1Very high86 Ų8661.8 Ų61.846%0.4633%0.33SS..Hα-helixtrans-62.1-42-179-71.4-23.1000111.8Q97 D98 S105Q97-N101 WeakPolarHBondContact O-CB 3.41Å; Q97-N101 PolarHBondContact O-N 3.28Å; Q97-N101 PolarHBondContact O-ND2 3.42Å; Q97-N101 VanDerWaalsContact O-ND2 3.16Å; D98-N101 PolarHBondContact O-N 3.17Å; N101-S105 VanDerWaalsContact O-CB 3.28Å; N101-S105 WeakPolarHBondContact O-CB 2.94Å; N101-S105 PolarHBondContact O-N 3.02Å; N101-S105 PolarHBondContact O-OG 3.22Å
102Y98.8Very high98.3Very high56 Ų5661.7 Ų61.722%0.2233%0.33CS..Hα-helixtrans-61.2-49.7173.7-172.9-82.6000110.9D98 L99 I100 L104 S105 Y106 F157 L161 E164 F165D98-Y102 VanDerWaalsContact O-CB 3.29Å; D98-Y102 WeakPolarHBondContact O-CB 3.41Å; D98-Y102 PolarHBondContact O-N 3.31Å; L99-Y102 PolarHBondContact O-N 2.79Å; I100-Y102 VanDerWaalsContact C-N 3.34Å; I100-Y102 PolarHBondContact O-N 3.23Å; Y102-L104 PolarHBondContact O-N 3.44Å; Y102-S105 PolarHBondContact O-N 3.23Å; Y102-Y106 AromaticContact CE1-CD2 3.8Å; Y102-Y106 HydrophobicContact CE1-CD2 3.8Å; Y102-Y106 HydrophobicContact CE1-CG 4.46Å; Y102-Y106 WeakPolarHBondContact O-CB 3.26Å; Y102-Y106 PolarHBondContact O-N 2.72Å; Y102-F157 HydrophobicContact CD1-CE2 4.46Å; Y102-F157 HydrophobicContact CE1-CE2 4.3Å; Y102-L161 HydrophobicContact CD1-CD2 3.42Å; Y102-L161 VanDerWaalsContact CD1-CD2 3.42Å; Y102-L161 HydrophobicContact CD1-CG 4.2Å; Y102-L161 HydrophobicContact CE1-CD2 3.72Å; Y102-L161 HydrophobicContact CE1-CG 4.03Å; Y102-L161 HydrophobicContact CG-CD2 4.35Å; Y102-E164 HydrophobicContact CD2-CB 4.43Å; Y102-E164 HydrophobicContact CD2-CG 3.68Å; Y102-E164 HydrophobicContact CE2-CB 3.88Å; Y102-E164 HydrophobicContact CE2-CG 3.49Å; Y102-E164 VanDerWaalsContact CE2-CG 3.49Å; Y102-E164 HydrophobicContact CG-CG 4.49Å; Y102-F165 HydrophobicContact CD1-CE2 4.27Å; Y102-F165 HydrophobicContact CD2-CE2 4.31Å; Y102-F165 AromaticContact CG-CE2 3.92Å; Y102-F165 HydrophobicContact CG-CE2 3.92Å; Y102-F165 HydrophobicContact CG-CZ 4.37Å
103C98.7Very high98.3Very high2 Ų264.2 Ų64.21%0.01434%0.341CS..Hα-helixtrans-60.7-45.5-178.9-71.60000112.1L99 I100 S105 Y106 I107 I120 V129 F157L99-C103 WeakPolarHBondContact O-CB 3.39Å; L99-C103 PolarHBondContact O-N 2.93Å; L99-C103 PolarHBondContact O-SG 3.22Å; I100-C103 PolarHBondContact O-N 3.01Å; C103-S105 PolarHBondContact O-N 2.87Å; C103-Y106 PolarHBondContact O-N 3.21Å; C103-I107 WeakPolarHBondContact O-CB 3.21Å; C103-I107 WeakPolarHBondContact O-CG1 3.4Å; C103-I107 PolarHBondContact O-N 2.94Å; C103-I120 HydrophobicContact CB-CD1 3.58Å; C103-I120 HydrophobicContact CB-CG1 4.31Å; C103-V129 HydrophobicContact CB-CG1 4.42Å; C103-F157 HydrophobicContact CB-CZ 4.14Å
104L98.7Very high98.3Very high82 Ų8262.4 Ų62.443%0.42933%0.331SS..Hα-helixtrans-60.5-46.1176.6-70174.4000111.4I100 Y102 Y106 I107 A108 I120I100-L104 HydrophobicContact CG2-CD1 3.83Å; I100-L104 HydrophobicContact CG2-CG 4.28Å; I100-L104 WeakPolarHBondContact O-CB 3.41Å; I100-L104 VanDerWaalsContact O-CG 3.31Å; I100-L104 WeakPolarHBondContact O-CG 3.33Å; I100-L104 PolarHBondContact O-N 2.94Å; Y102-L104 PolarHBondContact O-N 3.44Å; L104-Y106 VanDerWaalsContact C-N 3.33Å; L104-Y106 PolarHBondContact O-N 2.63Å; L104-I107 PolarHBondContact O-N 3.3Å; L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 3.26Å; L104-I120 HydrophobicContact CD2-CD1 3.81Å; L104-I120 HydrophobicContact CD2-CG1 4.45Å; L104-I120 HydrophobicContact CG-CD1 3.77Å
105S98.7Very high98.4Very high65 Ų6562.2 Ų62.246%0.45532%0.317SS..Hα-helixtrans-63.7-38.9178.9-61.80000112.4N101 Y102 C103 K109N101-S105 VanDerWaalsContact O-CB 3.28Å; N101-S105 WeakPolarHBondContact O-CB 2.94Å; N101-S105 PolarHBondContact O-N 3.02Å; N101-S105 PolarHBondContact O-OG 3.22Å; Y102-S105 PolarHBondContact O-N 3.23Å; C103-S105 PolarHBondContact O-N 2.87Å; S105-K109 WeakPolarHBondContact O-CG 3.46Å
106Y98.7Very high98.4Very high48 Ų4866 Ų6619%0.18833%0.329CS..Hα-helixtrans-68-51.4177-164.8-71000110.5Y102 C103 L104 A108 K109 I110 F157 D160Y102-Y106 AromaticContact CE1-CD2 3.8Å; Y102-Y106 HydrophobicContact CE1-CD2 3.8Å; Y102-Y106 HydrophobicContact CE1-CG 4.46Å; Y102-Y106 WeakPolarHBondContact O-CB 3.26Å; Y102-Y106 PolarHBondContact O-N 2.72Å; C103-Y106 PolarHBondContact O-N 3.21Å; L104-Y106 VanDerWaalsContact C-N 3.33Å; L104-Y106 PolarHBondContact O-N 2.63Å; Y106-A108 VanDerWaalsContact C-N 3.26Å; Y106-A108 PolarHBondContact O-N 3.09Å; Y106-K109 WeakPolarHBondContact O-CB 3.39Å; Y106-K109 PolarHBondContact O-N 3.24Å; Y106-I110 HydrophobicContact CD1-CD1 3.75Å; Y106-I110 HydrophobicContact CD1-CG1 3.93Å; Y106-I110 HydrophobicContact CE1-CD1 3.74Å; Y106-I110 HydrophobicContact CE1-CG1 3.89Å; Y106-I110 PolarHBondContact O-N 2.9Å; Y106-F157 VanDerWaalsContact CB-CE2 3.5Å; Y106-F157 HydrophobicContact CD1-CB 4.31Å; Y106-F157 AromaticContact CD1-CD1 3.79Å; Y106-F157 HydrophobicContact CD1-CD1 3.79Å; Y106-F157 AromaticContact CD1-CD2 3.38Å; Y106-F157 HydrophobicContact CD1-CD2 3.38Å; Y106-F157 AromaticContact CD1-CE1 3.9Å; Y106-F157 HydrophobicContact CD1-CE1 3.9Å; Y106-F157 AromaticContact CD1-CE2 3.52Å; Y106-F157 HydrophobicContact CD1-CE2 3.52Å; Y106-F157 AromaticContact CD1-CG 3.56Å; Y106-F157 HydrophobicContact CD1-CG 3.56Å; Y106-F157 AromaticContact CD1-CZ 3.79Å; Y106-F157 HydrophobicContact CD1-CZ 3.79Å; Y106-F157 AromaticContact CD2-CD2 3.72Å; Y106-F157 HydrophobicContact CD2-CD2 3.72Å; Y106-F157 AromaticContact CD2-CE2 3.84Å; Y106-F157 HydrophobicContact CD2-CE2 3.84Å; Y106-F157 HydrophobicContact CE1-CB 3.69Å; Y106-F157 AromaticContact CE1-CD1 3.96Å; Y106-F157 HydrophobicContact CE1-CD1 3.96Å; Y106-F157 AromaticContact CE1-CD2 3.57Å; Y106-F157 HydrophobicContact CE1-CD2 3.57Å; Y106-F157 HydrophobicContact CE1-CE2 4.2Å; Y106-F157 AromaticContact CE1-CG 3.46Å; Y106-F157 HydrophobicContact CE1-CG 3.46Å; Y106-F157 VanDerWaalsContact CE1-CG 3.46Å; Y106-F157 AromaticContact CE2-CD2 3.88Å; Y106-F157 HydrophobicContact CE2-CD2 3.88Å; Y106-F157 HydrophobicContact CE2-CE2 4.46Å; Y106-F157 AromaticContact CG-CD2 3.48Å; Y106-F157 HydrophobicContact CG-CD2 3.48Å; Y106-F157 VanDerWaalsContact CG-CD2 3.48Å; Y106-F157 HydrophobicContact CG-CE1 4.44Å; Y106-F157 AromaticContact CG-CE2 3.33Å; Y106-F157 HydrophobicContact CG-CE2 3.33Å; Y106-F157 HydrophobicContact CG-CG 4.16Å; Y106-F157 AromaticContact CG-CZ 3.86Å; Y106-F157 HydrophobicContact CG-CZ 3.86Å; Y106-F157 AromaticContact CZ-CD2 3.81Å; Y106-F157 AromaticContact CZ-CG 3.98Å; Y106-D160 HydrophobicContact CE2-CB 3.83Å; Y106-D160 WeakPolarHBondContact CE2-OD2 3.45Å; Y106-D160 PolarHBondContact OH-OD2 3.36Å; Y106-D160 VanDerWaalsContact OH-OD2 3.13Å
107I98.6Very high98.3Very high6 Ų666.9 Ų66.93%0.03134%0.339CS..Hα-helixtrans-58.9-37.7179.8-69.3170.3000111.2C103 L104 K109 I110 K115 F119 V129 F157C103-I107 WeakPolarHBondContact O-CB 3.21Å; C103-I107 WeakPolarHBondContact O-CG1 3.4Å; C103-I107 PolarHBondContact O-N 2.94Å; L104-I107 PolarHBondContact O-N 3.3Å; I107-K109 PolarHBondContact O-N 2.89Å; I107-I110 PolarHBondContact O-N 3.34Å; I107-K115 PolarHBondContact O-NZ 3.39Å; I107-F119 HydrophobicContact CD1-CB 3.95Å; I107-F119 HydrophobicContact CG2-CD1 3.88Å; I107-F119 HydrophobicContact CG2-CE1 4.32Å; I107-F119 HydrophobicContact CG2-CG 4.25Å; I107-V129 HydrophobicContact CD1-CG1 3.82Å; I107-F157 HydrophobicContact CD1-CE1 4.08Å; I107-F157 HydrophobicContact CD1-CZ 4.41Å; I107-F157 HydrophobicContact CG1-CE1 3.57Å; I107-F157 HydrophobicContact CG1-CZ 3.95Å
108A98.3Very high98.2Very high68 Ų6865.2 Ų65.256%0.56234%0.336SS*.Hα-helixtrans-56.8-34176.800000112.9L104 Y106L104-A108 WeakPolarHBondContact O-CB 3.34Å; L104-A108 PolarHBondContact O-N 3.26Å; Y106-A108 VanDerWaalsContact C-N 3.26Å; Y106-A108 PolarHBondContact O-N 3.09Å
109K98.1Very high98.2Very high166 Ų16663.3 Ų63.372%0.72232%0.323SS*.Hα-helixtrans-83-25.8-177.7-63.2167.9-173.2174.60113.4S105 Y106 I107 K111S105-K109 WeakPolarHBondContact O-CG 3.46Å; Y106-K109 WeakPolarHBondContact O-CB 3.39Å; Y106-K109 PolarHBondContact O-N 3.24Å; I107-K109 PolarHBondContact O-N 2.89Å; K109-K111 PolarHBondContact O-N 3.4Å
110I97.3Very high98.2Very high22 Ų2264.9 Ų64.911%0.11333%0.331CS..  trans-66.9123.4176.8-53.2173000109.3Y106 I107 L112 K115 P131 I153 F157Y106-I110 HydrophobicContact CD1-CD1 3.75Å; Y106-I110 HydrophobicContact CD1-CG1 3.93Å; Y106-I110 HydrophobicContact CE1-CD1 3.74Å; Y106-I110 HydrophobicContact CE1-CG1 3.89Å; Y106-I110 PolarHBondContact O-N 2.9Å; I107-I110 PolarHBondContact O-N 3.34Å; I110-L112 HydrophobicContact CG2-CD1 4.43Å; I110-L112 HydrophobicContact CG2-CD2 3.76Å; I110-L112 HydrophobicContact CG2-CG 3.81Å; I110-K115 WeakPolarHBondContact O-CE 3.34Å; I110-K115 PolarHBondContact O-NZ 3.25Å; I110-P131 HydrophobicContact CD1-CB 3.98Å; I110-P131 HydrophobicContact CD1-CG 4.32Å; I110-I153 HydrophobicContact CD1-CG2 4.02Å; I110-I153 HydrophobicContact CG2-CG2 4.08Å; I110-F157 HydrophobicContact CD1-CD1 4.24Å
111K97.8Very high98.1Very high189 Ų18965.5 Ų65.582%0.82233%0.334SS*.  trans-91.6121.7169-64.4-63.5-178.7-179.80109K109K109-K111 PolarHBondContact O-N 3.4Å
112L98.1Very high97.9Very high27 Ų2765.9 Ų65.914%0.14133%0.331CS..  trans-123.9156.1177.5-64.2177.5000108.8I110 K114 K115 P131 I132 F144 L147 I153I110-L112 HydrophobicContact CG2-CD1 4.43Å; I110-L112 HydrophobicContact CG2-CD2 3.76Å; I110-L112 HydrophobicContact CG2-CG 3.81Å; L112-K114 WeakPolarHBondContact CB-O 3.45Å; L112-K114 PolarHBondContact O-N 3.07Å; L112-K115 HydrophobicContact CB-CG 4.47Å; L112-K115 HydrophobicContact CD1-CG 4.36Å; L112-P131 HydrophobicContact CD1-CB 4.04Å; L112-P131 WeakPolarHBondContact CD1-O 3.43Å; L112-I132 HydrophobicContact CD1-CB 4.21Å; L112-F144 HydrophobicContact CD1-CD2 4.09Å; L112-F144 HydrophobicContact CD1-CE2 3.85Å; L112-F144 HydrophobicContact CD2-CD2 4.24Å; L112-F144 HydrophobicContact CD2-CE2 3.98Å; L112-L147 HydrophobicContact CD2-CD2 4.04Å; L112-I153 HydrophobicContact CD2-CD1 3.53Å
113P97.9Very high97.5Very high85 Ų8567.6 Ų67.655%0.55234%0.337SS*.SBendtrans-54.8-37.3171.3-25.434.4000112.2L147P113-L147 HydrophobicContact CG-CD2 4.06Å
114K98.4Very high97Very high68 Ų6869.2 Ų69.230%0.29635%0.346SS..  trans-141.6143.1-178.8-61.9176.2-175.174.50110.3L112 E140 E143L112-K114 WeakPolarHBondContact CB-O 3.45Å; L112-K114 PolarHBondContact O-N 3.07Å; K114-E140 HydrophobicContact CD-CG 3.78Å; K114-E143 IonicContact NZ-OE1 3.15Å; K114-E143 PolarHBondContact NZ-OE1 3.24Å; K114-E143 IonicContact NZ-OE2 3.71Å; K114-E143 PolarHBondContact NZ-OE2 3.3Å
115K98.6Very high96.7Very high69 Ų6965.4 Ų65.430%0.333%0.327SS..  trans-127.9146.7163.9-72.1-172.6-176.3177.30108.7I107 I110 L112 F119 I132I107-K115 PolarHBondContact O-NZ 3.39Å; I110-K115 WeakPolarHBondContact O-CE 3.34Å; I110-K115 PolarHBondContact O-NZ 3.25Å; L112-K115 HydrophobicContact CB-CG 4.47Å; L112-K115 HydrophobicContact CD1-CG 4.36Å; K115-F119 HydrophobicContact CB-CE1 4.07Å; K115-F119 HydrophobicContact CB-CZ 4.04Å; K115-F119 HydrophobicContact CD-CE1 4.27Å; K115-F119 HydrophobicContact CD-CZ 4.4Å; K115-F119 HydrophobicContact CG-CE1 4.29Å; K115-I132 CarbonylContact C-O 3.54Å; K115-I132 WeakPolarHBondContact CA-O 3.39Å
116R98.3Very high96.5Very high105 Ų10563.8 Ų63.840%0.39631%0.312SS..  trans-123-126.7179.9-62.7-74.7175.1-97.812.6108.4F119 I132 C136 E140R116-F119 WeakPolarHBondContact O-CE2 3.3Å; R116-F119 WeakPolarHBondContact O-CZ 3.47Å; R116-I132 PolarHBondContact N-O 2.85Å; R116-C136 HydrophobicContact CB-CB 4.5Å; R116-C136 HydrophobicContact CG-CB 3.96Å; R116-E140 IonicContact CZ-OE1 3.97Å; R116-E140 IonicContact CZ-OE2 3.01Å; R116-E140 VanDerWaalsContact NE-CD 3.3Å; R116-E140 IonicContact NE-OE1 2.79Å; R116-E140 PolarHBondContact NE-OE1 3.38Å; R116-E140 IonicContact NE-OE2 3.95Å; R116-E140 PolarHBondContact NE-OE2 3.5Å; R116-E140 IonicContact NH2-OE1 3Å; R116-E140 PolarHBondContact NH2-OE1 2.82Å; R116-E140 IonicContact NH2-OE2 2.94Å
117G96.1Very high96.3Very high22 Ų2261.5 Ų61.523%0.22730%0.304CS..SBendtrans-135.4179.7178.500000111.9G133 R134 S135G117-G133 CarbonylContact O-C 3.6Å; G117-G133 WeakPolarHBondContact O-CA 3.48Å; G117-R134 PolarHBondContact O-N 2.84Å; G117-S135 WeakPolarHBondContact CA-OG 3.28Å; G117-S135 PolarHBondContact N-OG 3.39Å; G117-S135 PolarHBondContact O-N 3.39Å; G117-S135 PolarHBondContact O-OG 3.49Å
118T97.6Very high96.2Very high68 Ų6861.4 Ų61.442%0.41730%0.303SS..  trans56.957.8-175.3-44.40000111.1I120 E121 R134T118-I120 VanDerWaalsContact C-N 3.35Å; T118-E121 HydrophobicContact CG2-CB 3.97Å; T118-E121 HydrophobicContact CG2-CG 4.43Å; T118-R134 HydrophobicContact CG2-CB 4.16Å; T118-R134 HydrophobicContact CG2-CG 4.48Å; T118-R134 PolarHBondContact O-N 3.08Å
119F98.4Very high96.2Very high53 Ų5358.2 Ų58.223%0.23228%0.276CS..SBendtrans-71.3-32.6176.8-61.6-70.9000112.4I107 K115 R116 V129 S130I107-F119 HydrophobicContact CD1-CB 3.95Å; I107-F119 HydrophobicContact CG2-CD1 3.88Å; I107-F119 HydrophobicContact CG2-CE1 4.32Å; I107-F119 HydrophobicContact CG2-CG 4.25Å; K115-F119 HydrophobicContact CB-CE1 4.07Å; K115-F119 HydrophobicContact CB-CZ 4.04Å; K115-F119 HydrophobicContact CD-CE1 4.27Å; K115-F119 HydrophobicContact CD-CZ 4.4Å; K115-F119 HydrophobicContact CG-CE1 4.29Å; R116-F119 WeakPolarHBondContact O-CE2 3.3Å; R116-F119 WeakPolarHBondContact O-CZ 3.47Å; F119-V129 CarbonylContact O-C 3.55Å; F119-V129 WeakPolarHBondContact O-CA 3.43Å; F119-S130 WeakPolarHBondContact CD1-O 3.22Å; F119-S130 PolarHBondContact O-N 2.88Å
120I98.4Very high96.2Very high35 Ų3550.3 Ų50.318%0.17924%0.242CC..EExtended strand (participates in β ladder)trans-127.7119.2173.8-56.1175.9000105.7I100 C103 L104 T118 L127 N128I100-I120 HydrophobicContact CG2-CD1 4.11Å; C103-I120 HydrophobicContact CB-CD1 3.58Å; C103-I120 HydrophobicContact CB-CG1 4.31Å; L104-I120 HydrophobicContact CD2-CD1 3.81Å; L104-I120 HydrophobicContact CD2-CG1 4.45Å; L104-I120 HydrophobicContact CG-CD1 3.77Å; T118-I120 VanDerWaalsContact C-N 3.35Å; I120-L127 HydrophobicContact CG2-CB 4.49Å; I120-L127 HydrophobicContact CG2-CD2 4.38Å; I120-N128 WeakPolarHBondContact CA-O 3.32Å
121E95.9Very high96.3Very high54 Ų5449.2 Ų49.225%0.25224%0.237SC..EExtended strand (participates in β ladder)trans-106.2115.4172.6-177.2179.7-94.400107.9T118 R123 N128 R134T118-E121 HydrophobicContact CG2-CB 3.97Å; T118-E121 HydrophobicContact CG2-CG 4.43Å; E121-R123 HydrophobicContact CG-CG 4.34Å; E121-R123 PolarHBondContact O-N 2.79Å; E121-R123 IonicContact OE2-CZ 2.52Å; E121-R123 IonicContact OE2-NE 2.64Å; E121-R123 PolarHBondContact OE2-NE 3.06Å; E121-R123 IonicContact OE2-NH2 3.22Å; E121-R123 PolarHBondContact OE2-NH2 2.98Å; E121-N128 HydrophobicContact CB-CB 4.27Å; E121-N128 PolarHBondContact N-O 3.46Å; E121-N128 PolarHBondContact O-N 3.23Å; E121-R134 WeakPolarHBondContact OE1-CD 3.4Å; E121-R134 IonicContact OE1-CZ 3.14Å; E121-R134 IonicContact OE1-NE 2.77Å; E121-R134 PolarHBondContact OE1-NE 2.86Å; E121-R134 IonicContact OE1-NH2 2.72Å; E121-R134 IonicContact OE2-CZ 3.72Å; E121-R134 IonicContact OE2-NE 3.75Å; E121-R134 PolarHBondContact OE2-NE 3.02Å; E121-R134 IonicContact OE2-NH2 2.71Å
122F94.8Very high96.4Very high94 Ų9440.4 Ų40.441%0.41220%0.198SC..EExtended strand (participates in β ladder)trans-81.7116.2177.8-159-71.1000109I87 Q88 I96 I100 L127I87-F122 HydrophobicContact CG2-CE1 3.55Å; I87-F122 HydrophobicContact CG2-CE2 4.33Å; I87-F122 HydrophobicContact CG2-CZ 3.39Å; Q88-F122 HydrophobicContact CB-CZ 4.22Å; I96-F122 HydrophobicContact CD1-CE2 4.43Å; I96-F122 HydrophobicContact CD1-CZ 4.49Å; I96-F122 HydrophobicContact CG2-CE2 3.84Å; I100-F122 HydrophobicContact CD1-CD2 4.31Å; I100-F122 HydrophobicContact CD1-CE2 4.39Å; F122-L127 HydrophobicContact CB-CD2 4.21Å; F122-L127 HydrophobicContact CD2-CD2 3.25Å; F122-L127 HydrophobicContact CE2-CD2 3.62Å; F122-L127 HydrophobicContact CG-CD2 3.78Å; F122-L127 HydrophobicContact CZ-CD2 4.42Å
123R90.5Very high96.4Very high91 Ų9139.1 Ų39.134%0.34319%0.192SC..  trans-112166.3174.3-57.4-178.5-179.7-177.2-5.5109.3E121 G125 M126E121-R123 HydrophobicContact CG-CG 4.34Å; E121-R123 PolarHBondContact O-N 2.79Å; E121-R123 IonicContact OE2-CZ 2.52Å; E121-R123 IonicContact OE2-NE 2.64Å; E121-R123 PolarHBondContact OE2-NE 3.06Å; E121-R123 IonicContact OE2-NH2 3.22Å; E121-R123 PolarHBondContact OE2-NH2 2.98Å; R123-G125 VanDerWaalsContact C-N 3.32Å; R123-G125 PolarHBondContact O-N 3.25Å; R123-M126 CarbonylContact C-O 3.14Å; R123-M126 WeakPolarHBondContact CA-O 3.49Å; R123-M126 HydrophobicContact CB-CG 3.97Å; R123-M126 WeakPolarHBondContact CB-O 3.41Å; R123-M126 HydrophobicContact CG-CG 4.38Å; R123-M126 PolarHBondContact N-O 2.94Å
124N88.7Confident96.3Very high36 Ų3638.4 Ų38.419%0.19318%0.178CC..SBendtrans-63.9-38-177.1174.877000111.8E70 Q85 N86 I87E70-N124 PolarHBondContact OE1-ND2 3.25Å; E70-N124 WeakPolarHBondContact OE2-CB 3.35Å; E70-N124 PolarHBondContact OE2-ND2 2.76Å; Q85-N124 PolarHBondContact O-ND2 2.86Å; Q85-N124 PolarHBondContact O-OD1 2.88Å; N86-N124 CarbonylContact C-O 3.47Å; N86-N124 VanDerWaalsContact CA-O 3.3Å; N86-N124 WeakPolarHBondContact CA-O 3.33Å; N86-N124 WeakPolarHBondContact CB-OD1 3.3Å; I87-N124 PolarHBondContact N-O 2.97Å
125G91.3Very high96.2Very high3 Ų338.7 Ų38.73%0.03119%0.189CC..SBendtrans-94.9-12.2175.700000118.6R123 W187R123-G125 VanDerWaalsContact C-N 3.32Å; R123-G125 PolarHBondContact O-N 3.25Å; G125-W187 VanDerWaalsContact O-CE3 3.24Å
126M93.8Very high96.2Very high30 Ų3036.2 Ų36.215%0.14818%0.179CC..  trans-163163.4-165.463.1-172.567.600112.9R123 D181 V182 F183R123-M126 CarbonylContact C-O 3.14Å; R123-M126 WeakPolarHBondContact CA-O 3.49Å; R123-M126 HydrophobicContact CB-CG 3.97Å; R123-M126 WeakPolarHBondContact CB-O 3.41Å; R123-M126 HydrophobicContact CG-CG 4.38Å; R123-M126 PolarHBondContact N-O 2.94Å; M126-D181 HydrophobicContact SD-CB 3.96Å; M126-D181 VanDerWaalsContact SD-CG 3.54Å; M126-V182 CarbonylContact C-O 3.49Å; M126-V182 VanDerWaalsContact CA-O 3.31Å; M126-V182 WeakPolarHBondContact CA-O 3.16Å; M126-V182 WeakPolarHBondContact CB-O 3.47Å; M126-F183 HydrophobicContact CB-CB 3.97Å
127L96.1Very high96.1Very high1 Ų133.2 Ų33.21%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-101.8120.7161.3-59.1180000108.9I87 L99 I100 I120 F122 D181 V182I87-L127 HydrophobicContact CD1-CG 4.48Å; L99-L127 HydrophobicContact CB-CD1 4.36Å; I100-L127 HydrophobicContact CG1-CD1 4.05Å; I120-L127 HydrophobicContact CG2-CB 4.49Å; I120-L127 HydrophobicContact CG2-CD2 4.38Å; F122-L127 HydrophobicContact CB-CD2 4.21Å; F122-L127 HydrophobicContact CD2-CD2 3.25Å; F122-L127 HydrophobicContact CE2-CD2 3.62Å; F122-L127 HydrophobicContact CG-CD2 3.78Å; F122-L127 HydrophobicContact CZ-CD2 4.42Å; L127-D181 WeakPolarHBondContact O-CA 3.43Å; L127-V182 HydrophobicContact CB-CB 4.3Å; L127-V182 PolarHBondContact N-O 2.77Å; L127-V182 PolarHBondContact O-N 2.87Å
128N96.1Very high96.1Very high4 Ų436.8 Ų36.82%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-90.9120.9168.5-173.5-102.9000109.4I120 E121 R134 S179 D181I120-N128 WeakPolarHBondContact CA-O 3.32Å; E121-N128 HydrophobicContact CB-CB 4.27Å; E121-N128 PolarHBondContact N-O 3.46Å; E121-N128 PolarHBondContact O-N 3.23Å; N128-R134 WeakPolarHBondContact OD1-CD 3.28Å; N128-R134 PolarHBondContact OD1-NH1 3.19Å; N128-S179 PolarHBondContact ND2-OG 3.2Å; N128-S179 WeakPolarHBondContact OD1-CB 3.38Å; N128-S179 PolarHBondContact OD1-OG 3.27Å; N128-D181 WeakPolarHBondContact CB-OD1 3.25Å; N128-D181 PolarHBondContact ND2-OD1 2.83Å
129V98.5Very high96.1Very high0 Ų040 Ų400%020%0.196CC..EExtended strand (participates in β ladder)trans-112.4123.9-175.7-175.20000110.1C103 I107 F119 F157 S179 F180 V182C103-V129 HydrophobicContact CB-CG1 4.42Å; I107-V129 HydrophobicContact CD1-CG1 3.82Å; F119-V129 CarbonylContact O-C 3.55Å; F119-V129 WeakPolarHBondContact O-CA 3.43Å; V129-F157 HydrophobicContact CG1-CE1 3.84Å; V129-F157 HydrophobicContact CG1-CZ 4.12Å; V129-S179 CarbonylContact O-C 3.58Å; V129-S179 WeakPolarHBondContact O-CA 3.38Å; V129-S179 WeakPolarHBondContact O-CB 3.48Å; V129-F180 HydrophobicContact CB-CD2 4.19Å; V129-F180 HydrophobicContact CB-CE1 4.1Å; V129-F180 HydrophobicContact CB-CE2 3.65Å; V129-F180 HydrophobicContact CB-CZ 3.62Å; V129-F180 HydrophobicContact CG1-CE1 4.04Å; V129-F180 HydrophobicContact CG1-CE2 4.11Å; V129-F180 HydrophobicContact CG1-CZ 3.58Å; V129-F180 HydrophobicContact CG2-CE2 4.06Å; V129-F180 HydrophobicContact CG2-CZ 4.38Å; V129-F180 PolarHBondContact N-O 2.94Å; V129-F180 PolarHBondContact O-N 3.29Å; V129-V182 HydrophobicContact CG2-CG2 4.11Å
130S98.4Very high96.1Very high0 Ų038.9 Ų38.90%019%0.191CC..  trans-126.9113.6-178.11800000110.8F119 I132 G133 I178F119-S130 WeakPolarHBondContact CD1-O 3.22Å; F119-S130 PolarHBondContact O-N 2.88Å; S130-I132 VanDerWaalsContact C-N 3.33Å; S130-I132 PolarHBondContact O-N 2.94Å; S130-G133 PolarHBondContact O-N 3.09Å; S130-G133 VanDerWaalsContact O-N 3.14Å; S130-G133 PolarHBondContact OG-N 2.89Å; S130-G133 VanDerWaalsContact OG-N 3.09Å; S130-I178 PolarHBondContact OG-O 3.5Å
131P98.6Very high96.1Very high0 Ų040.9 Ų40.90%020%0.197CC..SBendtrans-60.8-36.9178.2-27.437000114.4I110 L112 F144 I153 R154 F157 I178I110-P131 HydrophobicContact CD1-CB 3.98Å; I110-P131 HydrophobicContact CD1-CG 4.32Å; L112-P131 HydrophobicContact CD1-CB 4.04Å; L112-P131 WeakPolarHBondContact CD1-O 3.43Å; P131-F144 HydrophobicContact CB-CE2 3.95Å; P131-F144 HydrophobicContact CB-CZ 3.99Å; P131-F144 HydrophobicContact CG-CE2 4.46Å; P131-F144 HydrophobicContact CG-CZ 4Å; P131-I153 HydrophobicContact CB-CG2 4.46Å; P131-I153 HydrophobicContact CG-CG2 4.38Å; P131-R154 HydrophobicContact CG-CG 4.35Å; P131-F157 HydrophobicContact CG-CD1 4.23Å; P131-I178 WeakPolarHBondContact CD-O 3.19Å
132I98.6Very high96.2Very high4 Ų442.2 Ų42.22%0.02120%0.204CC..SBendtrans-78.1-26.8175.2-178.7162.9000112.4L112 K115 R116 S130 C136 E140 F144 I178L112-I132 HydrophobicContact CD1-CB 4.21Å; K115-I132 CarbonylContact C-O 3.54Å; K115-I132 WeakPolarHBondContact CA-O 3.39Å; R116-I132 PolarHBondContact N-O 2.85Å; S130-I132 VanDerWaalsContact C-N 3.33Å; S130-I132 PolarHBondContact O-N 2.94Å; I132-C136 HydrophobicContact CD1-CB 4.06Å; I132-C136 HydrophobicContact CG1-CB 4.09Å; I132-E140 HydrophobicContact CD1-CB 4.17Å; I132-F144 HydrophobicContact CB-CB 4.33Å; I132-F144 HydrophobicContact CB-CD2 3.68Å; I132-F144 HydrophobicContact CB-CE2 4.18Å; I132-F144 HydrophobicContact CB-CG 3.99Å; I132-F144 HydrophobicContact CD1-CB 3.72Å; I132-F144 HydrophobicContact CD1-CD2 4.44Å; I132-F144 HydrophobicContact CD1-CG 4.33Å; I132-F144 HydrophobicContact CG2-CB 4.16Å; I132-F144 HydrophobicContact CG2-CD1 4.08Å; I132-F144 HydrophobicContact CG2-CD2 3.9Å; I132-F144 HydrophobicContact CG2-CE1 4.5Å; I132-F144 HydrophobicContact CG2-CE2 4.33Å; I132-F144 HydrophobicContact CG2-CG 3.74Å; I132-I178 HydrophobicContact CG2-CB 3.83Å; I132-I178 HydrophobicContact CG2-CG2 3.83Å
133G98.2Very high96.4Very high0 Ų041.4 Ų41.40%020%0.202CC..  trans94.4139.2-171.300000112.3G117 S130 S135G117-G133 CarbonylContact O-C 3.6Å; G117-G133 WeakPolarHBondContact O-CA 3.48Å; S130-G133 PolarHBondContact O-N 3.09Å; S130-G133 VanDerWaalsContact O-N 3.14Å; S130-G133 PolarHBondContact OG-N 2.89Å; S130-G133 VanDerWaalsContact OG-N 3.09Å; G133-S135 VanDerWaalsContact C-N 3.27Å; G133-S135 PolarHBondContact O-N 3.25Å
134R96.7Very high96.7Very high70 Ų7037.3 Ų37.326%0.26419%0.187SC..THydrogen-bonded Turntrans-70.3-18.7-175.1-65.6175.362.172.84.9114.3G117 T118 E121 N128 C136G117-R134 PolarHBondContact O-N 2.84Å; T118-R134 HydrophobicContact CG2-CB 4.16Å; T118-R134 HydrophobicContact CG2-CG 4.48Å; T118-R134 PolarHBondContact O-N 3.08Å; E121-R134 WeakPolarHBondContact OE1-CD 3.4Å; E121-R134 IonicContact OE1-CZ 3.14Å; E121-R134 IonicContact OE1-NE 2.77Å; E121-R134 PolarHBondContact OE1-NE 2.86Å; E121-R134 IonicContact OE1-NH2 2.72Å; E121-R134 IonicContact OE2-CZ 3.72Å; E121-R134 IonicContact OE2-NE 3.75Å; E121-R134 PolarHBondContact OE2-NE 3.02Å; E121-R134 IonicContact OE2-NH2 2.71Å; N128-R134 WeakPolarHBondContact OD1-CD 3.28Å; N128-R134 PolarHBondContact OD1-NH1 3.19Å; R134-C136 PolarHBondContact O-N 2.82Å
135S96.9Very high97.2Very high74 Ų7438.8 Ų38.852%0.51719%0.19SC..THydrogen-bonded Turntrans-82.118.1178.163.70000114.3G117 G133G117-S135 WeakPolarHBondContact CA-OG 3.28Å; G117-S135 PolarHBondContact N-OG 3.39Å; G117-S135 PolarHBondContact O-N 3.39Å; G117-S135 PolarHBondContact O-OG 3.49Å; G133-S135 VanDerWaalsContact C-N 3.27Å; G133-S135 PolarHBondContact O-N 3.25Å
136C97.4Very high97.5Very high16 Ų1642.6 Ų42.611%0.10821%0.207CC..  trans-74.1154.2174.973.60000112.9R116 I132 R134 E140R116-C136 HydrophobicContact CB-CB 4.5Å; R116-C136 HydrophobicContact CG-CB 3.96Å; I132-C136 HydrophobicContact CD1-CB 4.06Å; I132-C136 HydrophobicContact CG1-CB 4.09Å; R134-C136 PolarHBondContact O-N 2.82Å; C136-E140 VanDerWaalsContact CA-OE2 3.26Å; C136-E140 WeakPolarHBondContact CA-OE2 3.41Å; C136-E140 HydrophobicContact CB-CB 3.91Å; C136-E140 WeakPolarHBondContact CB-OE2 3.3Å
137S97.8Very high97.7Very high43 Ų4343.2 Ų43.230%0.30121%0.211SC..  trans-69170.8172.690.20000111.6E139 E140 R141S137-E139 VanDerWaalsContact C-N 3.35Å; S137-E139 WeakPolarHBondContact CB-OE2 3.49Å; S137-E139 PolarHBondContact OG-N 3.18Å; S137-E139 PolarHBondContact OG-OE2 3.19Å; S137-E140 PolarHBondContact N-OE2 3.46Å; S137-E140 PolarHBondContact O-N 3.2Å; S137-E140 WeakPolarHBondContact OG-CG 3.37Å; S137-E140 PolarHBondContact OG-N 3.26Å; S137-R141 WeakPolarHBondContact O-CB 3.28Å; S137-R141 PolarHBondContact O-N 3.22Å
138Q95.2Very high97.8Very high97 Ų9743.7 Ų43.745%0.45321%0.213SC..Hα-helixtrans-67.1-37.5176.8-177.258.82700111.8R141 I142Q138-R141 WeakPolarHBondContact O-CB 3.32Å; Q138-R141 PolarHBondContact O-N 3.29Å; Q138-I142 HydrophobicContact CG-CD1 4.42Å; Q138-I142 WeakPolarHBondContact O-CG1 3.45Å; Q138-I142 PolarHBondContact O-N 3.38Å; Q138-I142 VanDerWaalsContact O-N 3.09Å
139E98.1Very high97.9Very high136 Ų13648.4 Ų48.464%0.63623%0.234SC*.Hα-helixtrans-64.6-44.4175.9-57.173.9-158.300110.7S137 R141 I142 E143S137-E139 VanDerWaalsContact C-N 3.35Å; S137-E139 WeakPolarHBondContact CB-OE2 3.49Å; S137-E139 PolarHBondContact OG-N 3.18Å; S137-E139 PolarHBondContact OG-OE2 3.19Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 3.07Å; E139-I142 PolarHBondContact O-N 3.02Å; E139-E143 PolarHBondContact O-N 3.23Å
140E98.4Very high97.9Very high28 Ų2855.8 Ų55.813%0.13127%0.266CS..Hα-helixtrans-64.9-36.9177.1-65171172.400112.1K114 R116 I132 C136 S137 E143 F144K114-E140 HydrophobicContact CD-CG 3.78Å; R116-E140 IonicContact CZ-OE1 3.97Å; R116-E140 IonicContact CZ-OE2 3.01Å; R116-E140 VanDerWaalsContact NE-CD 3.3Å; R116-E140 IonicContact NE-OE1 2.79Å; R116-E140 PolarHBondContact NE-OE1 3.38Å; R116-E140 IonicContact NE-OE2 3.95Å; R116-E140 PolarHBondContact NE-OE2 3.5Å; R116-E140 IonicContact NH2-OE1 3Å; R116-E140 PolarHBondContact NH2-OE1 2.82Å; R116-E140 IonicContact NH2-OE2 2.94Å; I132-E140 HydrophobicContact CD1-CB 4.17Å; C136-E140 VanDerWaalsContact CA-OE2 3.26Å; C136-E140 WeakPolarHBondContact CA-OE2 3.41Å; C136-E140 HydrophobicContact CB-CB 3.91Å; C136-E140 WeakPolarHBondContact CB-OE2 3.3Å; S137-E140 PolarHBondContact N-OE2 3.46Å; S137-E140 PolarHBondContact O-N 3.2Å; S137-E140 WeakPolarHBondContact OG-CG 3.37Å; S137-E140 PolarHBondContact OG-N 3.26Å; E140-E143 PolarHBondContact O-N 2.89Å; E140-F144 WeakPolarHBondContact O-CB 3.39Å; E140-F144 PolarHBondContact O-N 2.92Å
141R98.1Very high97.8Very high78 Ų7860.7 Ų60.729%0.29429%0.289SS..Hα-helixtrans-60.8-44.8173.4167.7176.8-67.6-178.9-1111.4S137 Q138 E139 Y145 Q177 I178S137-R141 WeakPolarHBondContact O-CB 3.28Å; S137-R141 PolarHBondContact O-N 3.22Å; Q138-R141 WeakPolarHBondContact O-CB 3.32Å; Q138-R141 PolarHBondContact O-N 3.29Å; E139-R141 VanDerWaalsContact C-N 3.32Å; E139-R141 PolarHBondContact O-N 3.07Å; R141-Y145 WeakPolarHBondContact O-CB 3.3Å; R141-Y145 PolarHBondContact O-N 3.28Å; R141-Q177 HydrophobicContact CG-CB 3.84Å; R141-Q177 VanDerWaalsContact CG-OE1 3.23Å; R141-I178 HydrophobicContact CB-CG2 4.04Å; R141-I178 HydrophobicContact CG-CG2 3.69Å
142I97.8Very high97.8Very high81 Ų8163.9 Ų63.942%0.41531%0.306SS..Hα-helixtrans-66.4-45178.1-67.5165000110.3Q138 E139 F144 Y145 E146Q138-I142 HydrophobicContact CG-CD1 4.42Å; Q138-I142 WeakPolarHBondContact O-CG1 3.45Å; Q138-I142 PolarHBondContact O-N 3.38Å; Q138-I142 VanDerWaalsContact O-N 3.09Å; E139-I142 PolarHBondContact O-N 3.02Å; I142-F144 VanDerWaalsContact C-N 3.35Å; I142-F144 PolarHBondContact O-N 3.46Å; I142-Y145 PolarHBondContact O-N 3.25Å; I142-E146 PolarHBondContact O-N 2.63Å
143E98.4Very high97.8Very high77 Ų7764.7 Ų64.736%0.3631%0.31SS..Hα-helixtrans-57.6-46.6176.5-176.9-174.5-14500111.6K114 E139 E140 L147K114-E143 IonicContact NZ-OE1 3.15Å; K114-E143 PolarHBondContact NZ-OE1 3.24Å; K114-E143 IonicContact NZ-OE2 3.71Å; K114-E143 PolarHBondContact NZ-OE2 3.3Å; E139-E143 PolarHBondContact O-N 3.23Å; E140-E143 PolarHBondContact O-N 2.89Å; E143-L147 WeakPolarHBondContact O-CB 3.33Å; E143-L147 PolarHBondContact O-N 2.88Å; E143-L147 VanDerWaalsContact O-N 3.09Å
144F98.6Very high97.8Very high6 Ų665.1 Ų65.13%0.02631%0.311CS..Hα-helixtrans-62.1-43.8175.3177.4-92.9000112L112 P131 I132 E140 I142 E146 L147 D148 I153 R154 Q177 I178L112-F144 HydrophobicContact CD1-CD2 4.09Å; L112-F144 HydrophobicContact CD1-CE2 3.85Å; L112-F144 HydrophobicContact CD2-CD2 4.24Å; L112-F144 HydrophobicContact CD2-CE2 3.98Å; P131-F144 HydrophobicContact CB-CE2 3.95Å; P131-F144 HydrophobicContact CB-CZ 3.99Å; P131-F144 HydrophobicContact CG-CE2 4.46Å; P131-F144 HydrophobicContact CG-CZ 4Å; I132-F144 HydrophobicContact CB-CB 4.33Å; I132-F144 HydrophobicContact CB-CD2 3.68Å; I132-F144 HydrophobicContact CB-CE2 4.18Å; I132-F144 HydrophobicContact CB-CG 3.99Å; I132-F144 HydrophobicContact CD1-CB 3.72Å; I132-F144 HydrophobicContact CD1-CD2 4.44Å; I132-F144 HydrophobicContact CD1-CG 4.33Å; I132-F144 HydrophobicContact CG2-CB 4.16Å; I132-F144 HydrophobicContact CG2-CD1 4.08Å; I132-F144 HydrophobicContact CG2-CD2 3.9Å; I132-F144 HydrophobicContact CG2-CE1 4.5Å; I132-F144 HydrophobicContact CG2-CE2 4.33Å; I132-F144 HydrophobicContact CG2-CG 3.74Å; E140-F144 WeakPolarHBondContact O-CB 3.39Å; E140-F144 PolarHBondContact O-N 2.92Å; I142-F144 VanDerWaalsContact C-N 3.35Å; I142-F144 PolarHBondContact O-N 3.46Å; F144-E146 VanDerWaalsContact C-N 3.34Å; F144-E146 PolarHBondContact O-N 3.45Å; F144-L147 PolarHBondContact O-N 3.28Å; F144-D148 HydrophobicContact CD1-CB 4.31Å; F144-D148 HydrophobicContact CE1-CB 3.93Å; F144-D148 HydrophobicContact CZ-CB 4.24Å; F144-D148 VanDerWaalsContact O-CB 3.26Å; F144-D148 WeakPolarHBondContact O-CB 3.48Å; F144-D148 PolarHBondContact O-N 2.89Å; F144-I153 HydrophobicContact CE2-CD1 4.45Å; F144-R154 HydrophobicContact CE1-CG 4.35Å; F144-R154 HydrophobicContact CZ-CG 4.26Å; F144-Q177 WeakPolarHBondContact CD1-O 3.45Å; F144-I178 HydrophobicContact CB-CG2 4.36Å; F144-I178 HydrophobicContact CD1-CB 4.09Å; F144-I178 HydrophobicContact CD1-CG2 3.71Å; F144-I178 HydrophobicContact CE1-CB 4.37Å; F144-I178 HydrophobicContact CE1-CG2 4.46Å; F144-I178 HydrophobicContact CG-CG2 4.31Å
145Y97.9Very high97.9Very high67 Ų6767.5 Ų67.526%0.26333%0.326SS..Hα-helixtrans-62.9-41.6-177.3-175.2-129.1000112.3R141 I142 D148 K149 Q177R141-Y145 WeakPolarHBondContact O-CB 3.3Å; R141-Y145 PolarHBondContact O-N 3.28Å; I142-Y145 PolarHBondContact O-N 3.25Å; Y145-D148 PolarHBondContact O-N 2.88Å; Y145-K149 HydrophobicContact CE1-CD 4.49Å; Y145-K149 WeakPolarHBondContact O-CG 3.36Å; Y145-K149 PolarHBondContact O-N 2.85Å; Y145-Q177 HydrophobicContact CD1-CG 3.97Å; Y145-Q177 HydrophobicContact CD2-CB 4Å; Y145-Q177 HydrophobicContact CD2-CG 4.05Å; Y145-Q177 WeakPolarHBondContact CD2-O 3.32Å; Y145-Q177 HydrophobicContact CE1-CG 4.23Å; Y145-Q177 HydrophobicContact CE2-CG 4.34Å; Y145-Q177 HydrophobicContact CG-CB 3.97Å; Y145-Q177 HydrophobicContact CG-CG 3.86Å
146E98.3Very high98Very high82 Ų8269.3 Ų69.338%0.38332%0.324SS..Hα-helixtrans-70.4-32.7176.8-68.1-56.3130.100112.5I142 F144 K149 K150I142-E146 PolarHBondContact O-N 2.63Å; F144-E146 VanDerWaalsContact C-N 3.34Å; F144-E146 PolarHBondContact O-N 3.45Å; E146-K149 IonicContact OE1-NZ 3.1Å; E146-K149 PolarHBondContact OE1-NZ 3.43Å; E146-K149 IonicContact OE2-NZ 2.6Å; E146-K150 WeakPolarHBondContact O-CG 3.5Å
147L98.4Very high98Very high44 Ų4468.5 Ų68.523%0.2332%0.319CS..Hα-helixtrans-67.9-45.3170.4179.964.9000111.6L112 P113 E143 F144 K149 K150 E151 I153L112-L147 HydrophobicContact CD2-CD2 4.04Å; P113-L147 HydrophobicContact CG-CD2 4.06Å; E143-L147 WeakPolarHBondContact O-CB 3.33Å; E143-L147 PolarHBondContact O-N 2.88Å; E143-L147 VanDerWaalsContact O-N 3.09Å; F144-L147 PolarHBondContact O-N 3.28Å; L147-K149 VanDerWaalsContact C-N 3.32Å; L147-K149 PolarHBondContact O-N 2.93Å; L147-K150 PolarHBondContact O-N 3.04Å; L147-E151 HydrophobicContact CD1-CG 3.71Å; L147-E151 HydrophobicContact CG-CG 4.33Å; L147-E151 WeakPolarHBondContact O-CB 3.39Å; L147-E151 PolarHBondContact O-N 2.86Å; L147-I153 HydrophobicContact CD2-CD1 4.1Å; L147-I153 HydrophobicContact CG-CD1 4.1Å
148D98.4Very high98Very high11 Ų1166.9 Ų66.96%0.05931%0.307CS..Hα-helixtrans-62.1-38-179.1179.865.4000111.9F144 Y145 K150 N152 I153 R154F144-D148 HydrophobicContact CD1-CB 4.31Å; F144-D148 HydrophobicContact CE1-CB 3.93Å; F144-D148 HydrophobicContact CZ-CB 4.24Å; F144-D148 VanDerWaalsContact O-CB 3.26Å; F144-D148 WeakPolarHBondContact O-CB 3.48Å; F144-D148 PolarHBondContact O-N 2.89Å; Y145-D148 PolarHBondContact O-N 2.88Å; D148-K150 VanDerWaalsContact C-N 3.29Å; D148-K150 PolarHBondContact O-N 3.35Å; D148-N152 WeakPolarHBondContact O-CA 3.41Å; D148-N152 PolarHBondContact O-N 2.95Å; D148-I153 WeakPolarHBondContact OD1-CA 3.36Å; D148-I153 WeakPolarHBondContact OD1-CB 3.43Å; D148-I153 PolarHBondContact OD1-N 2.84Å; D148-R154 PolarHBondContact OD1-N 3.4Å; D148-R154 IonicContact OD1-NE 3.91Å; D148-R154 IonicContact OD2-CZ 2.75Å; D148-R154 IonicContact OD2-NE 3.49Å; D148-R154 PolarHBondContact OD2-NE 3.34Å; D148-R154 IonicContact OD2-NH2 2.82Å; D148-R154 PolarHBondContact OD2-NH2 3.32Å
149K97.4Very high98.2Very high102 Ų10264.8 Ų64.844%0.44331%0.306SS..Hα-helixtrans-61.5-35171.8-76.8177.4-176.6164.10113.6Y145 E146 L147Y145-K149 HydrophobicContact CE1-CD 4.49Å; Y145-K149 WeakPolarHBondContact O-CG 3.36Å; Y145-K149 PolarHBondContact O-N 2.85Å; E146-K149 IonicContact OE1-NZ 3.1Å; E146-K149 PolarHBondContact OE1-NZ 3.43Å; E146-K149 IonicContact OE2-NZ 2.6Å; L147-K149 VanDerWaalsContact C-N 3.32Å; L147-K149 PolarHBondContact O-N 2.93Å
150K97.7Very high98.2Very high156 Ų15661.5 Ų61.568%0.67829%0.293SS*.Hα-helixtrans-78.8-44-179.4-68.8172.7-176.3178.30111.4E146 L147 D148E146-K150 WeakPolarHBondContact O-CG 3.5Å; L147-K150 PolarHBondContact O-N 3.04Å; D148-K150 VanDerWaalsContact C-N 3.29Å; D148-K150 PolarHBondContact O-N 3.35Å
151E98.1Very high98.2Very high102 Ų10260.2 Ų60.248%0.47729%0.287SS..Hα-helixtrans-98.6-10.8-170.7-65.5-60.5151.200113.8L147 I153 K156L147-E151 HydrophobicContact CD1-CG 3.71Å; L147-E151 HydrophobicContact CG-CG 4.33Å; L147-E151 WeakPolarHBondContact O-CB 3.39Å; L147-E151 PolarHBondContact O-N 2.86Å; E151-I153 VanDerWaalsContact C-N 3.33Å; E151-I153 HydrophobicContact CB-CD1 4.22Å; E151-I153 HydrophobicContact CB-CG1 3.71Å; E151-I153 PolarHBondContact O-N 3.39Å; E151-K156 VanDerWaalsContact O-CE 3.3Å; E151-K156 WeakPolarHBondContact O-CE 3.14Å; E151-K156 PolarHBondContact O-NZ 2.84Å
152N97.9Very high98.2Very high67 Ų6762.2 Ų62.236%0.35830%0.295SS..  trans53.644.8-176.8-63.8-55.9000112.8D148 Q155 K156D148-N152 WeakPolarHBondContact O-CA 3.41Å; D148-N152 PolarHBondContact O-N 2.95Å; N152-Q155 HydrophobicContact CB-CB 4.22Å; N152-Q155 PolarHBondContact O-N 3.47Å; N152-K156 WeakPolarHBondContact O-CB 3.31Å; N152-K156 VanDerWaalsContact O-CG 3.29Å; N152-K156 WeakPolarHBondContact O-CG 3.4Å; N152-K156 PolarHBondContact O-N 2.85Å
153I98.5Very high98.3Very high21 Ų2166.6 Ų66.611%0.10831%0.311CS..Hα-helixtrans-62.2-53.1-170.3-56.9-178.8000110.9I110 L112 P131 F144 L147 D148 E151 K156 F157I110-I153 HydrophobicContact CD1-CG2 4.02Å; I110-I153 HydrophobicContact CG2-CG2 4.08Å; L112-I153 HydrophobicContact CD2-CD1 3.53Å; P131-I153 HydrophobicContact CB-CG2 4.46Å; P131-I153 HydrophobicContact CG-CG2 4.38Å; F144-I153 HydrophobicContact CE2-CD1 4.45Å; L147-I153 HydrophobicContact CD2-CD1 4.1Å; L147-I153 HydrophobicContact CG-CD1 4.1Å; D148-I153 WeakPolarHBondContact OD1-CA 3.36Å; D148-I153 WeakPolarHBondContact OD1-CB 3.43Å; D148-I153 PolarHBondContact OD1-N 2.84Å; E151-I153 VanDerWaalsContact C-N 3.33Å; E151-I153 HydrophobicContact CB-CD1 4.22Å; E151-I153 HydrophobicContact CB-CG1 3.71Å; E151-I153 PolarHBondContact O-N 3.39Å; I153-K156 PolarHBondContact O-N 3.47Å; I153-F157 WeakPolarHBondContact O-CB 3.21Å; I153-F157 PolarHBondContact O-N 2.86Å
154R98.5Very high98.2Very high9 Ų968.5 Ų68.53%0.03432%0.32CS..Hα-helixtrans-65.4-39.3179.2-69.3-178.7-67.9167.2-2.4111.8P131 F144 D148 F157 V158 I174 G175 G176 Q177 S179 F180P131-R154 HydrophobicContact CG-CG 4.35Å; F144-R154 HydrophobicContact CE1-CG 4.35Å; F144-R154 HydrophobicContact CZ-CG 4.26Å; D148-R154 PolarHBondContact OD1-N 3.4Å; D148-R154 IonicContact OD1-NE 3.91Å; D148-R154 IonicContact OD2-CZ 2.75Å; D148-R154 IonicContact OD2-NE 3.49Å; D148-R154 PolarHBondContact OD2-NE 3.34Å; D148-R154 IonicContact OD2-NH2 2.82Å; D148-R154 PolarHBondContact OD2-NH2 3.32Å; R154-F157 PolarHBondContact O-N 2.95Å; R154-V158 WeakPolarHBondContact O-CB 3.33Å; R154-V158 WeakPolarHBondContact O-CG2 3.23Å; R154-V158 PolarHBondContact O-N 3.37Å; R154-I174 HydrophobicContact CB-CD1 4.36Å; R154-I174 HydrophobicContact CB-CG2 4.34Å; R154-G175 PolarHBondContact NH1-O 3.48Å; R154-G176 PolarHBondContact NH1-O 3.13Å; R154-Q177 PolarHBondContact NH2-O 2.97Å; R154-S179 WeakPolarHBondContact CD-O 3.3Å; R154-S179 PolarHBondContact NH1-O 2.72Å; R154-S179 VanDerWaalsContact NH1-O 3.07Å; R154-F180 HydrophobicContact CB-CD1 4.18Å; R154-F180 HydrophobicContact CG-CD1 4.13Å
155Q98Very high98.2Very high120 Ų12069 Ų6956%0.56132%0.322SS*.Hα-helixtrans-64.1-45.4178.8-173.6-178.8-800111.9N152 V158 A159 I174N152-Q155 HydrophobicContact CB-CB 4.22Å; N152-Q155 PolarHBondContact O-N 3.47Å; Q155-V158 PolarHBondContact O-N 3.02Å; Q155-A159 WeakPolarHBondContact O-CB 3.18Å; Q155-A159 PolarHBondContact O-N 3.39Å; Q155-I174 HydrophobicContact CB-CD1 4.23Å
156K98.6Very high98.2Very high112 Ų11269.2 Ų69.249%0.48734%0.337SS..Hα-helixtrans-61.5-45.9174.7-72.3169179.9166.30111.2E151 N152 I153 V158 A159 D160E151-K156 VanDerWaalsContact O-CE 3.3Å; E151-K156 WeakPolarHBondContact O-CE 3.14Å; E151-K156 PolarHBondContact O-NZ 2.84Å; N152-K156 WeakPolarHBondContact O-CB 3.31Å; N152-K156 VanDerWaalsContact O-CG 3.29Å; N152-K156 WeakPolarHBondContact O-CG 3.4Å; N152-K156 PolarHBondContact O-N 2.85Å; I153-K156 PolarHBondContact O-N 3.47Å; K156-V158 PolarHBondContact O-N 3.49Å; K156-A159 WeakPolarHBondContact O-CB 3.43Å; K156-A159 PolarHBondContact O-N 2.79Å; K156-D160 PolarHBondContact O-N 3.01Å
157F98.6Very high98.2Very high0 Ų069.4 Ų69.40%036%0.362CS..Hα-helixtrans-61.8-45.2178.9-168.4180000112.1Y102 C103 Y106 I107 I110 V129 P131 I153 R154 A159 D160 L161 F180Y102-F157 HydrophobicContact CD1-CE2 4.46Å; Y102-F157 HydrophobicContact CE1-CE2 4.3Å; C103-F157 HydrophobicContact CB-CZ 4.14Å; Y106-F157 VanDerWaalsContact CB-CE2 3.5Å; Y106-F157 HydrophobicContact CD1-CB 4.31Å; Y106-F157 AromaticContact CD1-CD1 3.79Å; Y106-F157 HydrophobicContact CD1-CD1 3.79Å; Y106-F157 AromaticContact CD1-CD2 3.38Å; Y106-F157 HydrophobicContact CD1-CD2 3.38Å; Y106-F157 AromaticContact CD1-CE1 3.9Å; Y106-F157 HydrophobicContact CD1-CE1 3.9Å; Y106-F157 AromaticContact CD1-CE2 3.52Å; Y106-F157 HydrophobicContact CD1-CE2 3.52Å; Y106-F157 AromaticContact CD1-CG 3.56Å; Y106-F157 HydrophobicContact CD1-CG 3.56Å; Y106-F157 AromaticContact CD1-CZ 3.79Å; Y106-F157 HydrophobicContact CD1-CZ 3.79Å; Y106-F157 AromaticContact CD2-CD2 3.72Å; Y106-F157 HydrophobicContact CD2-CD2 3.72Å; Y106-F157 AromaticContact CD2-CE2 3.84Å; Y106-F157 HydrophobicContact CD2-CE2 3.84Å; Y106-F157 HydrophobicContact CE1-CB 3.69Å; Y106-F157 AromaticContact CE1-CD1 3.96Å; Y106-F157 HydrophobicContact CE1-CD1 3.96Å; Y106-F157 AromaticContact CE1-CD2 3.57Å; Y106-F157 HydrophobicContact CE1-CD2 3.57Å; Y106-F157 HydrophobicContact CE1-CE2 4.2Å; Y106-F157 AromaticContact CE1-CG 3.46Å; Y106-F157 HydrophobicContact CE1-CG 3.46Å; Y106-F157 VanDerWaalsContact CE1-CG 3.46Å; Y106-F157 AromaticContact CE2-CD2 3.88Å; Y106-F157 HydrophobicContact CE2-CD2 3.88Å; Y106-F157 HydrophobicContact CE2-CE2 4.46Å; Y106-F157 AromaticContact CG-CD2 3.48Å; Y106-F157 HydrophobicContact CG-CD2 3.48Å; Y106-F157 VanDerWaalsContact CG-CD2 3.48Å; Y106-F157 HydrophobicContact CG-CE1 4.44Å; Y106-F157 AromaticContact CG-CE2 3.33Å; Y106-F157 HydrophobicContact CG-CE2 3.33Å; Y106-F157 HydrophobicContact CG-CG 4.16Å; Y106-F157 AromaticContact CG-CZ 3.86Å; Y106-F157 HydrophobicContact CG-CZ 3.86Å; Y106-F157 AromaticContact CZ-CD2 3.81Å; Y106-F157 AromaticContact CZ-CG 3.98Å; I107-F157 HydrophobicContact CD1-CE1 4.08Å; I107-F157 HydrophobicContact CD1-CZ 4.41Å; I107-F157 HydrophobicContact CG1-CE1 3.57Å; I107-F157 HydrophobicContact CG1-CZ 3.95Å; I110-F157 HydrophobicContact CD1-CD1 4.24Å; V129-F157 HydrophobicContact CG1-CE1 3.84Å; V129-F157 HydrophobicContact CG1-CZ 4.12Å; P131-F157 HydrophobicContact CG-CD1 4.23Å; I153-F157 WeakPolarHBondContact O-CB 3.21Å; I153-F157 PolarHBondContact O-N 2.86Å; R154-F157 PolarHBondContact O-N 2.95Å; F157-A159 VanDerWaalsContact C-N 3.34Å; F157-A159 PolarHBondContact O-N 2.82Å; F157-D160 PolarHBondContact O-N 3.07Å; F157-L161 HydrophobicContact CD2-CD1 3.76Å; F157-L161 HydrophobicContact CD2-CG 3.96Å; F157-L161 HydrophobicContact CE2-CD1 3.64Å; F157-L161 HydrophobicContact CE2-CD2 4.39Å; F157-L161 HydrophobicContact CE2-CG 3.86Å; F157-L161 HydrophobicContact CZ-CD1 4.34Å; F157-L161 WeakPolarHBondContact O-CB 3.4Å; F157-L161 WeakPolarHBondContact O-CG 3.48Å; F157-L161 PolarHBondContact O-N 2.68Å; F157-F180 HydrophobicContact CB-CE1 4.37Å; F157-F180 AromaticContact CD1-CE1 3.58Å; F157-F180 HydrophobicContact CD1-CE1 3.58Å; F157-F180 AromaticContact CD1-CZ 3.63Å; F157-F180 HydrophobicContact CD1-CZ 3.63Å; F157-F180 HydrophobicContact CD2-CZ 4.33Å; F157-F180 HydrophobicContact CE1-CE1 4.01Å; F157-F180 AromaticContact CE1-CZ 3.77Å; F157-F180 HydrophobicContact CE1-CZ 3.77Å; F157-F180 HydrophobicContact CE2-CZ 4.43Å; F157-F180 HydrophobicContact CG-CE1 4.06Å; F157-F180 AromaticContact CG-CZ 3.91Å; F157-F180 HydrophobicContact CG-CZ 3.91Å; F157-F180 HydrophobicContact CZ-CZ 4.16Å
158V98.3Very high98.1Very high9 Ų973.1 Ų73.16%0.05538%0.376CS..Hα-helixtrans-63.3-39.1174.81660000111.8R154 Q155 K156 D160 L161 R162 F172 I174 F180R154-V158 WeakPolarHBondContact O-CB 3.33Å; R154-V158 WeakPolarHBondContact O-CG2 3.23Å; R154-V158 PolarHBondContact O-N 3.37Å; Q155-V158 PolarHBondContact O-N 3.02Å; K156-V158 PolarHBondContact O-N 3.49Å; V158-D160 VanDerWaalsContact C-N 3.35Å; V158-D160 PolarHBondContact O-N 2.92Å; V158-L161 PolarHBondContact O-N 3.14Å; V158-R162 HydrophobicContact CG1-CG 4.32Å; V158-R162 WeakPolarHBondContact O-CB 3.49Å; V158-R162 VanDerWaalsContact O-CG 3.28Å; V158-R162 WeakPolarHBondContact O-CG 3.49Å; V158-R162 PolarHBondContact O-N 3.14Å; V158-F172 HydrophobicContact CG1-CB 3.56Å; V158-F172 HydrophobicContact CG1-CG 4.12Å; V158-F172 HydrophobicContact CG2-CB 4.31Å; V158-I174 HydrophobicContact CB-CD1 4.3Å; V158-I174 HydrophobicContact CG2-CD1 4.1Å; V158-I174 HydrophobicContact CG2-CG1 3.87Å; V158-F180 HydrophobicContact CG2-CB 4.11Å; V158-F180 HydrophobicContact CG2-CD1 3.96Å; V158-F180 HydrophobicContact CG2-CD2 3.6Å; V158-F180 HydrophobicContact CG2-CE1 4.24Å; V158-F180 HydrophobicContact CG2-CE2 3.9Å; V158-F180 HydrophobicContact CG2-CG 3.62Å; V158-F180 HydrophobicContact CG2-CZ 4.21Å
159A98.4Very high98Very high53 Ų5374.1 Ų74.144%0.43839%0.388SS..Hα-helixtrans-62.3-42.5176.600000111.9Q155 K156 F157 R162 K163Q155-A159 WeakPolarHBondContact O-CB 3.18Å; Q155-A159 PolarHBondContact O-N 3.39Å; K156-A159 WeakPolarHBondContact O-CB 3.43Å; K156-A159 PolarHBondContact O-N 2.79Å; F157-A159 VanDerWaalsContact C-N 3.34Å; F157-A159 PolarHBondContact O-N 2.82Å; A159-R162 PolarHBondContact O-N 3.35Å; A159-K163 PolarHBondContact O-N 3.44Å
160D98.6Very high98Very high67 Ų6769.9 Ų69.936%0.35837%0.371SS..Hα-helixtrans-68.2-41.1177.7-71.9-16.9000111.8Y106 K156 F157 V158 R162 K163 E164Y106-D160 HydrophobicContact CE2-CB 3.83Å; Y106-D160 WeakPolarHBondContact CE2-OD2 3.45Å; Y106-D160 PolarHBondContact OH-OD2 3.36Å; Y106-D160 VanDerWaalsContact OH-OD2 3.13Å; K156-D160 PolarHBondContact O-N 3.01Å; F157-D160 PolarHBondContact O-N 3.07Å; V158-D160 VanDerWaalsContact C-N 3.35Å; V158-D160 PolarHBondContact O-N 2.92Å; D160-R162 PolarHBondContact O-N 3.18Å; D160-K163 PolarHBondContact O-N 3.09Å; D160-E164 WeakPolarHBondContact O-CB 3.3Å; D160-E164 PolarHBondContact O-N 3.11Å
161L98.5Very high97.8Very high0 Ų064.3 Ų64.30%035%0.35CS..Hα-helixtrans-60.5-43.8172.3-81.7166.3000112.4Y102 F157 V158 K163 E164 F165 F172 F180Y102-L161 HydrophobicContact CD1-CD2 3.42Å; Y102-L161 VanDerWaalsContact CD1-CD2 3.42Å; Y102-L161 HydrophobicContact CD1-CG 4.2Å; Y102-L161 HydrophobicContact CE1-CD2 3.72Å; Y102-L161 HydrophobicContact CE1-CG 4.03Å; Y102-L161 HydrophobicContact CG-CD2 4.35Å; F157-L161 HydrophobicContact CD2-CD1 3.76Å; F157-L161 HydrophobicContact CD2-CG 3.96Å; F157-L161 HydrophobicContact CE2-CD1 3.64Å; F157-L161 HydrophobicContact CE2-CD2 4.39Å; F157-L161 HydrophobicContact CE2-CG 3.86Å; F157-L161 HydrophobicContact CZ-CD1 4.34Å; F157-L161 WeakPolarHBondContact O-CB 3.4Å; F157-L161 WeakPolarHBondContact O-CG 3.48Å; F157-L161 PolarHBondContact O-N 2.68Å; V158-L161 PolarHBondContact O-N 3.14Å; L161-K163 VanDerWaalsContact C-N 3.26Å; L161-K163 PolarHBondContact O-N 3.48Å; L161-E164 PolarHBondContact O-N 3.21Å; L161-F165 HydrophobicContact CD2-CD2 3.97Å; L161-F165 HydrophobicContact CD2-CE2 3.82Å; L161-F165 WeakPolarHBondContact O-CD2 3.27Å; L161-F165 PolarHBondContact O-N 2.78Å; L161-F172 HydrophobicContact CB-CD1 4.18Å; L161-F172 HydrophobicContact CB-CE1 3.56Å; L161-F172 HydrophobicContact CB-CZ 3.83Å; L161-F172 HydrophobicContact CD1-CD1 4.22Å; L161-F172 HydrophobicContact CD1-CE1 3.91Å; L161-F172 HydrophobicContact CD2-CE1 4.41Å; L161-F172 HydrophobicContact CG-CE1 4.18Å; L161-F180 HydrophobicContact CD1-CE2 3.54Å; L161-F180 HydrophobicContact CD1-CZ 3.7Å
162R98Very high97.6Very high120 Ų12060 Ų6045%0.45333%0.329SS..Hα-helixtrans-61-37.7176.8-78177.6-177-80.74.6111.9V158 A159 D160 A166 F172V158-R162 HydrophobicContact CG1-CG 4.32Å; V158-R162 WeakPolarHBondContact O-CB 3.49Å; V158-R162 VanDerWaalsContact O-CG 3.28Å; V158-R162 WeakPolarHBondContact O-CG 3.49Å; V158-R162 PolarHBondContact O-N 3.14Å; A159-R162 PolarHBondContact O-N 3.35Å; D160-R162 PolarHBondContact O-N 3.18Å; R162-A166 WeakPolarHBondContact O-CA 3.5Å; R162-A166 PolarHBondContact O-N 2.73Å; R162-F172 HydrophobicContact CG-CD2 3.42Å; R162-F172 VanDerWaalsContact CG-CD2 3.42Å; R162-F172 HydrophobicContact CG-CE2 3.72Å; R162-F172 HydrophobicContact CG-CG 4.21Å; R162-F172 PolarHBondContact NH2-O 2.87Å
163K98.3Very high97.3Very high173 Ų17359.1 Ų59.175%0.75233%0.329SS*.Hα-helixtrans-70-47.3176.6-177.3-178.3175.5-175.20111.5A159 D160 L161A159-K163 PolarHBondContact O-N 3.44Å; D160-K163 PolarHBondContact O-N 3.09Å; L161-K163 VanDerWaalsContact C-N 3.26Å; L161-K163 PolarHBondContact O-N 3.48Å
164E98.3Very high96.9Very high118 Ų11861.7 Ų61.755%0.55134%0.342SS*.Hα-helixtrans-62.6-45.5-178.2-174.768.6-162.100111.8Y102 D160 L161Y102-E164 HydrophobicContact CD2-CB 4.43Å; Y102-E164 HydrophobicContact CD2-CG 3.68Å; Y102-E164 HydrophobicContact CE2-CB 3.88Å; Y102-E164 HydrophobicContact CE2-CG 3.49Å; Y102-E164 VanDerWaalsContact CE2-CG 3.49Å; Y102-E164 HydrophobicContact CG-CG 4.49Å; D160-E164 WeakPolarHBondContact O-CB 3.3Å; D160-E164 PolarHBondContact O-N 3.11Å; L161-E164 PolarHBondContact O-N 3.21Å
165F98Very high96Very high16 Ų1662.8 Ų62.87%0.0736%0.356CS..THydrogen-bonded Turntrans-101.326-175.4-63.2-85.3000112.8L95 D98 L99 Y102 L161 G167 K168 L170L95-F165 HydrophobicContact CD1-CD1 3.85Å; L95-F165 HydrophobicContact CD1-CE1 4.05Å; D98-F165 HydrophobicContact CB-CE1 3.94Å; D98-F165 HydrophobicContact CB-CZ 4.33Å; L99-F165 HydrophobicContact CB-CZ 4.44Å; L99-F165 HydrophobicContact CD2-CD1 3.8Å; L99-F165 HydrophobicContact CD2-CD2 3.62Å; L99-F165 HydrophobicContact CD2-CE1 3.77Å; L99-F165 HydrophobicContact CD2-CE2 3.61Å; L99-F165 HydrophobicContact CD2-CG 3.74Å; L99-F165 HydrophobicContact CD2-CZ 3.69Å; L99-F165 HydrophobicContact CG-CD1 4.15Å; L99-F165 HydrophobicContact CG-CE1 3.85Å; L99-F165 HydrophobicContact CG-CE2 4.45Å; L99-F165 HydrophobicContact CG-CZ 4.03Å; Y102-F165 HydrophobicContact CD1-CE2 4.27Å; Y102-F165 HydrophobicContact CD2-CE2 4.31Å; Y102-F165 AromaticContact CG-CE2 3.92Å; Y102-F165 HydrophobicContact CG-CE2 3.92Å; Y102-F165 HydrophobicContact CG-CZ 4.37Å; L161-F165 HydrophobicContact CD2-CD2 3.97Å; L161-F165 HydrophobicContact CD2-CE2 3.82Å; L161-F165 WeakPolarHBondContact O-CD2 3.27Å; L161-F165 PolarHBondContact O-N 2.78Å; F165-G167 PolarHBondContact O-N 3.43Å; F165-K168 HydrophobicContact CB-CB 4.33Å; F165-K168 HydrophobicContact CB-CG 4.28Å; F165-K168 HydrophobicContact CD1-CG 4.45Å; F165-K168 VanDerWaalsContact O-CB 3.3Å; F165-K168 WeakPolarHBondContact O-CB 3.48Å; F165-K168 WeakPolarHBondContact O-CG 3.41Å; F165-K168 PolarHBondContact O-N 3.04Å; F165-K168 VanDerWaalsContact O-N 3.09Å; F165-L170 HydrophobicContact CB-CD1 3.76Å; F165-L170 HydrophobicContact CD1-CD1 4.32Å; F165-L170 HydrophobicContact CG-CD1 4.09Å
166A97.9Very high95.4Very high71 Ų7160.1 Ų60.159%0.58736%0.361SS*.THydrogen-bonded Turntrans-55.9131.8177.700000111R162 K168R162-A166 WeakPolarHBondContact O-CA 3.5Å; R162-A166 PolarHBondContact O-N 2.73Å; A166-K168 VanDerWaalsContact C-N 3.28Å; A166-K168 PolarHBondContact O-N 3.41Å
167G96.9Very high95Very high87 Ų8757.9 Ų57.990%0.89735%0.352SS*.THydrogen-bonded Turntrans766.2-179.400000115.5F165F165-G167 PolarHBondContact O-N 3.43Å
168K96.9Very high94.9Very high122 Ų12258.1 Ų58.153%0.5335%0.353SS..SBendtrans-90.65.2177.2-60-67.3-173.6172.80114.4L95 F165 A166 L170L95-K168 HydrophobicContact CD1-CB 4.3Å; L95-K168 HydrophobicContact CD1-CD 4.38Å; L95-K168 HydrophobicContact CD1-CG 4.29Å; L95-K168 HydrophobicContact CD2-CB 4.24Å; F165-K168 HydrophobicContact CB-CB 4.33Å; F165-K168 HydrophobicContact CB-CG 4.28Å; F165-K168 HydrophobicContact CD1-CG 4.45Å; F165-K168 VanDerWaalsContact O-CB 3.3Å; F165-K168 WeakPolarHBondContact O-CB 3.48Å; F165-K168 WeakPolarHBondContact O-CG 3.41Å; F165-K168 PolarHBondContact O-N 3.04Å; F165-K168 VanDerWaalsContact O-N 3.09Å; A166-K168 VanDerWaalsContact C-N 3.28Å; A166-K168 PolarHBondContact O-N 3.41Å; K168-L170 HydrophobicContact CB-CD1 4.43Å; K168-L170 HydrophobicContact CB-CG 4.4Å
169G96.3Very high94.8Very high31 Ų3158.2 Ų58.232%0.3235%0.354SS..  trans71.542.5176.800000113.6P184 D185G169-P184 CarbonylContact O-C 3.6Å; G169-P184 WeakPolarHBondContact O-CA 3.47Å; G169-D185 VanDerWaalsContact CA-OD2 3.25Å; G169-D185 WeakPolarHBondContact CA-OD2 3.31Å; G169-D185 PolarHBondContact O-N 2.71Å
170L96.8Very high94.7Very high14 Ų1455.7 Ų55.77%0.07333%0.333CS..EExtended strand (participates in β ladder)trans-118132.5-177.6-59.9176.2000111.7L91 L99 F165 K168 F172 D185L91-L170 HydrophobicContact CD1-CD2 3.65Å; L91-L170 HydrophobicContact CD2-CD2 4.08Å; L99-L170 HydrophobicContact CD1-CD1 3.65Å; L99-L170 HydrophobicContact CD1-CD2 4.16Å; L99-L170 HydrophobicContact CD2-CD1 3.49Å; L99-L170 VanDerWaalsContact CD2-CD1 3.49Å; L99-L170 HydrophobicContact CG-CD1 4.01Å; F165-L170 HydrophobicContact CB-CD1 3.76Å; F165-L170 HydrophobicContact CD1-CD1 4.32Å; F165-L170 HydrophobicContact CG-CD1 4.09Å; K168-L170 HydrophobicContact CB-CD1 4.43Å; K168-L170 HydrophobicContact CB-CG 4.4Å; L170-F172 HydrophobicContact CB-CE2 3.9Å; L170-F172 HydrophobicContact CB-CZ 4.01Å; L170-F172 HydrophobicContact CD1-CZ 4.28Å; L170-D185 PolarHBondContact N-OD1 3.05Å
171T94.6Very high94.5Very high38 Ų3854 Ų5423%0.23332%0.324CS..EExtended strand (participates in β ladder)trans-105.6143.6171.8-70.80000110F183 D185T171-F183 HydrophobicContact CG2-CD2 4.27Å; T171-F183 HydrophobicContact CG2-CE1 4.25Å; T171-F183 HydrophobicContact CG2-CE2 3.43Å; T171-F183 VanDerWaalsContact CG2-CE2 3.43Å; T171-F183 HydrophobicContact CG2-CZ 3.42Å; T171-F183 VanDerWaalsContact CG2-CZ 3.42Å; T171-F183 PolarHBondContact N-O 3.48Å; T171-F183 PolarHBondContact O-N 3.01Å; T171-D185 PolarHBondContact N-OD1 3.41Å; T171-D185 VanDerWaalsContact N-OD1 3.1Å; T171-D185 PolarHBondContact OG1-OD1 3.01Å
172F94.1Very high94.4Very high11 Ų1154.1 Ų54.15%0.04833%0.325CS..EExtended strand (participates in β ladder)trans-125.1126.2-179.8-56.7-95.2000109.6V158 L161 R162 L170 D181 V182V158-F172 HydrophobicContact CG1-CB 3.56Å; V158-F172 HydrophobicContact CG1-CG 4.12Å; V158-F172 HydrophobicContact CG2-CB 4.31Å; L161-F172 HydrophobicContact CB-CD1 4.18Å; L161-F172 HydrophobicContact CB-CE1 3.56Å; L161-F172 HydrophobicContact CB-CZ 3.83Å; L161-F172 HydrophobicContact CD1-CD1 4.22Å; L161-F172 HydrophobicContact CD1-CE1 3.91Å; L161-F172 HydrophobicContact CD2-CE1 4.41Å; L161-F172 HydrophobicContact CG-CE1 4.18Å; R162-F172 HydrophobicContact CG-CD2 3.42Å; R162-F172 VanDerWaalsContact CG-CD2 3.42Å; R162-F172 HydrophobicContact CG-CE2 3.72Å; R162-F172 HydrophobicContact CG-CG 4.21Å; R162-F172 PolarHBondContact NH2-O 2.87Å; L170-F172 HydrophobicContact CB-CE2 3.9Å; L170-F172 HydrophobicContact CB-CZ 4.01Å; L170-F172 HydrophobicContact CD1-CZ 4.28Å; F172-D181 CarbonylContact C-O 3.57Å; F172-D181 VanDerWaalsContact CA-O 3.3Å; F172-D181 WeakPolarHBondContact CA-O 3.37Å; F172-V182 HydrophobicContact CD1-CB 4.26Å; F172-V182 HydrophobicContact CD1-CG1 3.96Å; F172-V182 HydrophobicContact CD1-CG2 3.69Å; F172-V182 HydrophobicContact CE1-CB 4.21Å; F172-V182 HydrophobicContact CE1-CG1 3.51Å; F172-V182 HydrophobicContact CE1-CG2 3.76Å; F172-V182 HydrophobicContact CZ-CG1 4.11Å
173S90.5Very high94.3Very high50 Ų5049.4 Ų49.435%0.3531%0.308SS..EExtended strand (participates in β ladder)trans-123.9119.1179.2-173.40000111.1G175 F180 D181S173-G175 PolarHBondContact O-N 3.47Å; S173-F180 CarbonylContact O-C 3.18Å; S173-F180 WeakPolarHBondContact O-CA 3.29Å; S173-F180 VanDerWaalsContact O-CB 3.25Å; S173-F180 WeakPolarHBondContact O-CB 3.42Å; S173-D181 PolarHBondContact N-O 2.87Å; S173-D181 PolarHBondContact O-N 3.29Å
174I90.7Very high94.2Very high75 Ų7541.1 Ų41.139%0.38527%0.272SS..EExtended strand (participates in β ladder)trans-84.3107.3175-59.4172.9000107.7R154 Q155 V158 F180R154-I174 HydrophobicContact CB-CD1 4.36Å; R154-I174 HydrophobicContact CB-CG2 4.34Å; Q155-I174 HydrophobicContact CB-CD1 4.23Å; V158-I174 HydrophobicContact CB-CD1 4.3Å; V158-I174 HydrophobicContact CG2-CD1 4.1Å; V158-I174 HydrophobicContact CG2-CG1 3.87Å; I174-F180 HydrophobicContact CB-CB 4.37Å; I174-F180 HydrophobicContact CG1-CB 3.96Å
175G79.9Confident94.1Very high32 Ų3239.8 Ų39.833%0.3327%0.268SS..EExtended strand (participates in β ladder)trans-122.7146.6-177.900000112.5R154 S173R154-G175 PolarHBondContact NH1-O 3.48Å; S173-G175 PolarHBondContact O-N 3.47Å
176G85.4Confident93.8Very high64 Ų6440 Ų4066%0.6628%0.275SS*.THydrogen-bonded Turntrans62.9-152.1177.400000113.9R154R154-G176 PolarHBondContact NH1-O 3.13Å
177Q90.8Very high93.7Very high65 Ų6536.9 Ų36.930%0.30425%0.248SC..THydrogen-bonded Turntrans-98.7-26.5-167.1-72.6179.4-33.100114.7R141 F144 Y145 R154R141-Q177 HydrophobicContact CG-CB 3.84Å; R141-Q177 VanDerWaalsContact CG-OE1 3.23Å; F144-Q177 WeakPolarHBondContact CD1-O 3.45Å; Y145-Q177 HydrophobicContact CD1-CG 3.97Å; Y145-Q177 HydrophobicContact CD2-CB 4Å; Y145-Q177 HydrophobicContact CD2-CG 4.05Å; Y145-Q177 WeakPolarHBondContact CD2-O 3.32Å; Y145-Q177 HydrophobicContact CE1-CG 4.23Å; Y145-Q177 HydrophobicContact CE2-CG 4.34Å; Y145-Q177 HydrophobicContact CG-CB 3.97Å; Y145-Q177 HydrophobicContact CG-CG 3.86Å; R154-Q177 PolarHBondContact NH2-O 2.97Å
178I95.8Very high93.6Very high5 Ų533.3 Ų33.33%0.02621%0.209CC..THydrogen-bonded Turntrans-128.5-16.2-166.457.9168.7000115.4S130 P131 I132 R141 F144S130-I178 PolarHBondContact OG-O 3.5Å; P131-I178 WeakPolarHBondContact CD-O 3.19Å; I132-I178 HydrophobicContact CG2-CB 3.83Å; I132-I178 HydrophobicContact CG2-CG2 3.83Å; R141-I178 HydrophobicContact CB-CG2 4.04Å; R141-I178 HydrophobicContact CG-CG2 3.69Å; F144-I178 HydrophobicContact CB-CG2 4.36Å; F144-I178 HydrophobicContact CD1-CB 4.09Å; F144-I178 HydrophobicContact CD1-CG2 3.71Å; F144-I178 HydrophobicContact CE1-CB 4.37Å; F144-I178 HydrophobicContact CE1-CG2 4.46Å; F144-I178 HydrophobicContact CG-CG2 4.31Å
179S96.3Very high93.6Very high10 Ų1027.6 Ų27.67%0.0718%0.184CC..EExtended strand (participates in β ladder)trans-134.2176.9-171.658.50000112.9N128 V129 R154N128-S179 PolarHBondContact ND2-OG 3.2Å; N128-S179 WeakPolarHBondContact OD1-CB 3.38Å; N128-S179 PolarHBondContact OD1-OG 3.27Å; V129-S179 CarbonylContact O-C 3.58Å; V129-S179 WeakPolarHBondContact O-CA 3.38Å; V129-S179 WeakPolarHBondContact O-CB 3.48Å; R154-S179 WeakPolarHBondContact CD-O 3.3Å; R154-S179 PolarHBondContact NH1-O 2.72Å; R154-S179 VanDerWaalsContact NH1-O 3.07Å
180F96.3Very high93.6Very high0 Ų030.2 Ų30.20%018%0.184CC..EExtended strand (participates in β ladder)trans-141.1155.2166.958.4-92.7000108.5V129 R154 F157 V158 L161 S173 I174 V182V129-F180 HydrophobicContact CB-CD2 4.19Å; V129-F180 HydrophobicContact CB-CE1 4.1Å; V129-F180 HydrophobicContact CB-CE2 3.65Å; V129-F180 HydrophobicContact CB-CZ 3.62Å; V129-F180 HydrophobicContact CG1-CE1 4.04Å; V129-F180 HydrophobicContact CG1-CE2 4.11Å; V129-F180 HydrophobicContact CG1-CZ 3.58Å; V129-F180 HydrophobicContact CG2-CE2 4.06Å; V129-F180 HydrophobicContact CG2-CZ 4.38Å; V129-F180 PolarHBondContact N-O 2.94Å; V129-F180 PolarHBondContact O-N 3.29Å; R154-F180 HydrophobicContact CB-CD1 4.18Å; R154-F180 HydrophobicContact CG-CD1 4.13Å; F157-F180 HydrophobicContact CB-CE1 4.37Å; F157-F180 AromaticContact CD1-CE1 3.58Å; F157-F180 HydrophobicContact CD1-CE1 3.58Å; F157-F180 AromaticContact CD1-CZ 3.63Å; F157-F180 HydrophobicContact CD1-CZ 3.63Å; F157-F180 HydrophobicContact CD2-CZ 4.33Å; F157-F180 HydrophobicContact CE1-CE1 4.01Å; F157-F180 AromaticContact CE1-CZ 3.77Å; F157-F180 HydrophobicContact CE1-CZ 3.77Å; F157-F180 HydrophobicContact CE2-CZ 4.43Å; F157-F180 HydrophobicContact CG-CE1 4.06Å; F157-F180 AromaticContact CG-CZ 3.91Å; F157-F180 HydrophobicContact CG-CZ 3.91Å; F157-F180 HydrophobicContact CZ-CZ 4.16Å; V158-F180 HydrophobicContact CG2-CB 4.11Å; V158-F180 HydrophobicContact CG2-CD1 3.96Å; V158-F180 HydrophobicContact CG2-CD2 3.6Å; V158-F180 HydrophobicContact CG2-CE1 4.24Å; V158-F180 HydrophobicContact CG2-CE2 3.9Å; V158-F180 HydrophobicContact CG2-CG 3.62Å; V158-F180 HydrophobicContact CG2-CZ 4.21Å; L161-F180 HydrophobicContact CD1-CE2 3.54Å; L161-F180 HydrophobicContact CD1-CZ 3.7Å; S173-F180 CarbonylContact O-C 3.18Å; S173-F180 WeakPolarHBondContact O-CA 3.29Å; S173-F180 VanDerWaalsContact O-CB 3.25Å; S173-F180 WeakPolarHBondContact O-CB 3.42Å; I174-F180 HydrophobicContact CB-CB 4.37Å; I174-F180 HydrophobicContact CG1-CB 3.96Å; F180-V182 HydrophobicContact CD2-CG2 4.13Å; F180-V182 HydrophobicContact CE2-CG2 3.95Å
181D94.4Very high93.6Very high32 Ų3230.1 Ų30.117%0.17118%0.183CC..EExtended strand (participates in β ladder)trans-100.8141.8178.9-64.6-51000110.5M126 L127 N128 F172 S173 F183M126-D181 HydrophobicContact SD-CB 3.96Å; M126-D181 VanDerWaalsContact SD-CG 3.54Å; L127-D181 WeakPolarHBondContact O-CA 3.43Å; N128-D181 WeakPolarHBondContact CB-OD1 3.25Å; N128-D181 PolarHBondContact ND2-OD1 2.83Å; F172-D181 CarbonylContact C-O 3.57Å; F172-D181 VanDerWaalsContact CA-O 3.3Å; F172-D181 WeakPolarHBondContact CA-O 3.37Å; S173-D181 PolarHBondContact N-O 2.87Å; S173-D181 PolarHBondContact O-N 3.29Å; D181-F183 HydrophobicContact CB-CD1 3.97Å; D181-F183 HydrophobicContact CB-CE1 4.11Å
182V96.6Very high93.8Very high2 Ų228.3 Ų28.31%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-117.6121.6170.8-170.10000108L99 M126 L127 V129 F172 F180L99-V182 HydrophobicContact CD2-CG1 4.46Å; M126-V182 CarbonylContact C-O 3.49Å; M126-V182 VanDerWaalsContact CA-O 3.31Å; M126-V182 WeakPolarHBondContact CA-O 3.16Å; M126-V182 WeakPolarHBondContact CB-O 3.47Å; L127-V182 HydrophobicContact CB-CB 4.3Å; L127-V182 PolarHBondContact N-O 2.77Å; L127-V182 PolarHBondContact O-N 2.87Å; V129-V182 HydrophobicContact CG2-CG2 4.11Å; F172-V182 HydrophobicContact CD1-CB 4.26Å; F172-V182 HydrophobicContact CD1-CG1 3.96Å; F172-V182 HydrophobicContact CD1-CG2 3.69Å; F172-V182 HydrophobicContact CE1-CB 4.21Å; F172-V182 HydrophobicContact CE1-CG1 3.51Å; F172-V182 HydrophobicContact CE1-CG2 3.76Å; F172-V182 HydrophobicContact CZ-CG1 4.11Å; F180-V182 HydrophobicContact CD2-CG2 4.13Å; F180-V182 HydrophobicContact CE2-CG2 3.95Å
183F95.5Very high94Very high21 Ų2127.8 Ų27.89%0.09217%0.17CC..EExtended strand (participates in β ladder)trans-147.3159-178.450.7-88.1000110.8M126 T171 D181 W187M126-F183 HydrophobicContact CB-CB 3.97Å; T171-F183 HydrophobicContact CG2-CD2 4.27Å; T171-F183 HydrophobicContact CG2-CE1 4.25Å; T171-F183 HydrophobicContact CG2-CE2 3.43Å; T171-F183 VanDerWaalsContact CG2-CE2 3.43Å; T171-F183 HydrophobicContact CG2-CZ 3.42Å; T171-F183 VanDerWaalsContact CG2-CZ 3.42Å; T171-F183 PolarHBondContact N-O 3.48Å; T171-F183 PolarHBondContact O-N 3.01Å; D181-F183 HydrophobicContact CB-CD1 3.97Å; D181-F183 HydrophobicContact CB-CE1 4.11Å; F183-W187 HydrophobicContact CB-CB 4.42Å; F183-W187 HydrophobicContact CD2-CB 4.09Å
184P97Very high94.3Very high0 Ų031.2 Ų31.20%018%0.175CC..EExtended strand (participates in β ladder)trans-62.5150.3176.8-1931.8000112.1I87 H90 L91 G169 G186 W187I87-P184 HydrophobicContact CD1-CG 4.45Å; I87-P184 HydrophobicContact CG1-CG 3.93Å; H90-P184 VanDerWaalsContact CD2-CB 3.49Å; H90-P184 WeakPolarHBondContact CD2-CB 3.37Å; L91-P184 HydrophobicContact CD1-CG 4.16Å; L91-P184 HydrophobicContact CD2-CB 4.13Å; L91-P184 HydrophobicContact CD2-CG 3.94Å; L91-P184 HydrophobicContact CG-CG 3.98Å; G169-P184 CarbonylContact O-C 3.6Å; G169-P184 WeakPolarHBondContact O-CA 3.47Å; P184-G186 PolarHBondContact O-N 2.72Å; P184-W187 HydrophobicContact CB-CD2 3.95Å; P184-W187 HydrophobicContact CB-CG 3.91Å; P184-W187 HydrophobicContact CG-CD2 3.57Å; P184-W187 HydrophobicContact CG-CE3 3.81Å; P184-W187 HydrophobicContact CG-CG 4.03Å; P184-W187 HydrophobicContact CG-CH2 4.23Å; P184-W187 HydrophobicContact CG-CZ2 4Å; P184-W187 HydrophobicContact CG-CZ3 4.12Å; P184-W187 WeakPolarHBondContact O-CB 3.45Å; P184-W187 PolarHBondContact O-N 3.15Å; P184-W187 VanDerWaalsContact O-N 3.11Å
185D94.3Very high94.7Very high89 Ų8928.9 Ų28.948%0.47616%0.162SC..THydrogen-bonded Turntrans-55.7133.1178.3-70.6-16.3000111.6G169 L170 T171 W187G169-D185 VanDerWaalsContact CA-OD2 3.25Å; G169-D185 WeakPolarHBondContact CA-OD2 3.31Å; G169-D185 PolarHBondContact O-N 2.71Å; L170-D185 PolarHBondContact N-OD1 3.05Å; T171-D185 PolarHBondContact N-OD1 3.41Å; T171-D185 VanDerWaalsContact N-OD1 3.1Å; T171-D185 PolarHBondContact OG1-OD1 3.01Å; D185-W187 VanDerWaalsContact C-N 3.31Å; D185-W187 PolarHBondContact O-N 2.88Å
186G93.1Very high95.5Very high21 Ų2127.4 Ų27.422%0.21615%0.147CC..THydrogen-bonded Turntrans76.111.7-179.300000115.2P184 D188 Y191P184-G186 PolarHBondContact O-N 2.72Å; G186-D188 VanDerWaalsContact C-N 3.26Å; G186-Y191 WeakPolarHBondContact O-CB 3.45Å
187W95.7Very high96Very high5 Ų528.6 Ų28.62%0.01914%0.135CC..  trans-86.310.1170.5-73.934.9000113.6N71 L73 Q85 N86 I87 H90 G125 F183 P184 D185 Y191N71-W187 PolarHBondContact ND2-O 2.71Å; L73-W187 HydrophobicContact CD1-CD2 4.31Å; L73-W187 HydrophobicContact CD1-CE3 3.51Å; L73-W187 HydrophobicContact CD1-CZ3 3.73Å; L73-W187 HydrophobicContact CD2-CD2 3.6Å; L73-W187 HydrophobicContact CD2-CE3 3.49Å; L73-W187 VanDerWaalsContact CD2-CE3 3.49Å; L73-W187 HydrophobicContact CD2-CG 4.3Å; L73-W187 HydrophobicContact CD2-CH2 3.81Å; L73-W187 HydrophobicContact CD2-CZ2 3.91Å; L73-W187 HydrophobicContact CD2-CZ3 3.63Å; L73-W187 HydrophobicContact CG-CE3 4.12Å; L73-W187 HydrophobicContact CG-CZ3 4.35Å; Q85-W187 HydrophobicContact CG-CH2 3.87Å; Q85-W187 HydrophobicContact CG-CZ2 3.87Å; N86-W187 WeakPolarHBondContact O-CH2 3.41Å; I87-W187 HydrophobicContact CB-CH2 4.35Å; I87-W187 HydrophobicContact CB-CZ3 3.91Å; I87-W187 HydrophobicContact CG1-CZ3 4.31Å; H90-W187 HydrophobicContact CB-CH2 3.78Å; H90-W187 HydrophobicContact CB-CZ2 3.44Å; H90-W187 VanDerWaalsContact CB-CZ2 3.44Å; H90-W187 AromaticContact CD2-CE2 3.98Å; H90-W187 AromaticContact CD2-CZ2 3.72Å; H90-W187 AromaticContact CD2-NE1 3.93Å; H90-W187 AromaticContact CG-CZ2 3.47Å; H90-W187 VanDerWaalsContact CG-CZ2 3.47Å; H90-W187 AromaticContact NE2-NE1 3.9Å; G125-W187 VanDerWaalsContact O-CE3 3.24Å; F183-W187 HydrophobicContact CB-CB 4.42Å; F183-W187 HydrophobicContact CD2-CB 4.09Å; P184-W187 HydrophobicContact CB-CD2 3.95Å; P184-W187 HydrophobicContact CB-CG 3.91Å; P184-W187 HydrophobicContact CG-CD2 3.57Å; P184-W187 HydrophobicContact CG-CE3 3.81Å; P184-W187 HydrophobicContact CG-CG 4.03Å; P184-W187 HydrophobicContact CG-CH2 4.23Å; P184-W187 HydrophobicContact CG-CZ2 4Å; P184-W187 HydrophobicContact CG-CZ3 4.12Å; P184-W187 WeakPolarHBondContact O-CB 3.45Å; P184-W187 PolarHBondContact O-N 3.15Å; P184-W187 VanDerWaalsContact O-N 3.11Å; D185-W187 VanDerWaalsContact C-N 3.31Å; D185-W187 PolarHBondContact O-N 2.88Å; W187-Y191 AromaticContact CD1-CD2 3.67Å; W187-Y191 AromaticContact CD1-CE2 3.9Å; W187-Y191 HydrophobicContact CG-CD2 4.1Å; W187-Y191 HydrophobicContact CG-CE2 4.44Å; W187-Y191 AromaticContact NE1-CD2 3.93Å; W187-Y191 AromaticContact NE1-CE2 3.65Å
188D94Very high96.1Very high13 Ų1332.1 Ų32.17%0.0716%0.156CC..SBendtrans-67.9-176.115959.671.9000111.2G186 R190 Y191 E219G186-D188 VanDerWaalsContact C-N 3.26Å; D188-R190 PolarHBondContact O-N 3.26Å; D188-R190 WeakPolarHBondContact OD1-CB 3.34Å; D188-R190 WeakPolarHBondContact OD1-CG 3.41Å; D188-R190 IonicContact OD1-CZ 3.7Å; D188-R190 PolarHBondContact OD1-N 2.97Å; D188-R190 IonicContact OD1-NE 3.4Å; D188-R190 PolarHBondContact OD1-NE 2.79Å; D188-R190 IonicContact OD1-NH2 2.71Å; D188-R190 IonicContact OD2-CZ 3.6Å; D188-R190 IonicContact OD2-NE 2.71Å; D188-R190 PolarHBondContact OD2-NE 2.79Å; D188-R190 IonicContact OD2-NH2 2.8Å; D188-R190 PolarHBondContact OD2-NH2 3.37Å; D188-Y191 VanDerWaalsContact O-CB 3.28Å; D188-Y191 WeakPolarHBondContact O-CB 3.2Å; D188-Y191 PolarHBondContact O-N 3.31Å; D188-E219 HydrophobicContact CB-CB 4.43Å; D188-E219 WeakPolarHBondContact OD1-CB 3.46Å
189K96.7Very high96.1Very high2 Ų234.6 Ų34.61%0.00917%0.169CC..G310 helixtrans-56.5-21.6-175.6-74.3-177171.6162.10114.1D12 V44 Y191 C192 N216 D217 I220D12-K189 VanDerWaalsContact CG-NZ 3.28Å; D12-K189 IonicContact OD1-NZ 3.28Å; D12-K189 PolarHBondContact OD1-NZ 3.32Å; V44-K189 HydrophobicContact CG1-CD 4.34Å; V44-K189 HydrophobicContact CG2-CB 4.27Å; V44-K189 HydrophobicContact CG2-CD 4.45Å; V44-K189 HydrophobicContact CG2-CG 4.03Å; K189-Y191 PolarHBondContact O-N 3.49Å; K189-Y191 VanDerWaalsContact O-N 3.11Å; K189-C192 PolarHBondContact O-N 2.88Å; K189-C192 PolarHBondContact O-SG 3.18Å; K189-N216 WeakPolarHBondContact CD-O 3.1Å; K189-D217 WeakPolarHBondContact CD-OD1 3.35Å; K189-D217 WeakPolarHBondContact CE-OD1 3.1Å; K189-D217 IonicContact NZ-OD1 2.99Å; K189-D217 PolarHBondContact NZ-OD1 3.01Å; K189-I220 HydrophobicContact CB-CB 3.79Å; K189-I220 HydrophobicContact CB-CD1 4.11Å; K189-I220 HydrophobicContact CB-CG2 3.53Å; K189-I220 HydrophobicContact CD-CG2 4.1Å; K189-I220 HydrophobicContact CG-CG2 4.44Å
190R97.2Very high96.1Very high86 Ų8636.7 Ų36.733%0.32519%0.192SC..G310 helixtrans-59.8-20.9172.5-65.5176.6-64.9-176-4.8113.2D188 C192 L193 E219 I220 D223D188-R190 PolarHBondContact O-N 3.26Å; D188-R190 WeakPolarHBondContact OD1-CB 3.34Å; D188-R190 WeakPolarHBondContact OD1-CG 3.41Å; D188-R190 IonicContact OD1-CZ 3.7Å; D188-R190 PolarHBondContact OD1-N 2.97Å; D188-R190 IonicContact OD1-NE 3.4Å; D188-R190 PolarHBondContact OD1-NE 2.79Å; D188-R190 IonicContact OD1-NH2 2.71Å; D188-R190 IonicContact OD2-CZ 3.6Å; D188-R190 IonicContact OD2-NE 2.71Å; D188-R190 PolarHBondContact OD2-NE 2.79Å; D188-R190 IonicContact OD2-NH2 2.8Å; D188-R190 PolarHBondContact OD2-NH2 3.37Å; R190-C192 PolarHBondContact O-N 3.39Å; R190-L193 HydrophobicContact CB-CD1 4.4Å; R190-L193 WeakPolarHBondContact O-CB 3.48Å; R190-L193 PolarHBondContact O-N 2.92Å; R190-L193 VanDerWaalsContact O-N 3.1Å; R190-E219 VanDerWaalsContact CD-O 3.3Å; R190-E219 WeakPolarHBondContact CD-O 3.47Å; R190-E219 HydrophobicContact CG-CB 4.09Å; R190-E219 WeakPolarHBondContact CG-O 3.49Å; R190-I220 HydrophobicContact CG-CB 4.24Å; R190-D223 WeakPolarHBondContact CD-OD2 3.44Å; R190-D223 HydrophobicContact CG-CB 4.18Å
191Y97.4Very high96.2Very high12 Ų1238.6 Ų38.65%0.04720%0.2CC..G310 helixtrans-54.2-40.2177.8-171.7-86.8000111.3G72 L73 G186 W187 D188 K189 L193 R194 H195G72-Y191 WeakPolarHBondContact O-CD1 3.38Å; G72-Y191 VanDerWaalsContact O-CE1 3.28Å; G72-Y191 WeakPolarHBondContact O-CE1 3.43Å; L73-Y191 HydrophobicContact CD2-CD1 4.08Å; L73-Y191 HydrophobicContact CD2-CD2 4.16Å; L73-Y191 HydrophobicContact CD2-CE1 3.75Å; L73-Y191 HydrophobicContact CD2-CE2 3.82Å; L73-Y191 HydrophobicContact CD2-CG 4.28Å; L73-Y191 HydrophobicContact CG-CD1 4.45Å; L73-Y191 HydrophobicContact CG-CE1 4.42Å; G186-Y191 WeakPolarHBondContact O-CB 3.45Å; W187-Y191 AromaticContact CD1-CD2 3.67Å; W187-Y191 AromaticContact CD1-CE2 3.9Å; W187-Y191 HydrophobicContact CG-CD2 4.1Å; W187-Y191 HydrophobicContact CG-CE2 4.44Å; W187-Y191 AromaticContact NE1-CD2 3.93Å; W187-Y191 AromaticContact NE1-CE2 3.65Å; D188-Y191 VanDerWaalsContact O-CB 3.28Å; D188-Y191 WeakPolarHBondContact O-CB 3.2Å; D188-Y191 PolarHBondContact O-N 3.31Å; K189-Y191 PolarHBondContact O-N 3.49Å; K189-Y191 VanDerWaalsContact O-N 3.11Å; Y191-L193 PolarHBondContact O-N 2.95Å; Y191-R194 WeakPolarHBondContact O-CD 3.5Å; Y191-R194 WeakPolarHBondContact O-CG 3.46Å; Y191-R194 PolarHBondContact O-N 3.48Å; Y191-R194 PolarHBondContact O-NE 3.37Å; Y191-R194 PolarHBondContact OH-NH1 3Å; Y191-H195 AromaticContact CE1-NE2 3.83Å
192C98.1Very high96.3Very high0 Ų044.2 Ų44.20%022%0.223CC..G310 helixtrans-65.4-23.6-178.179.30000113.8V44 F68 N71 K189 R190 R194 H195V44-C192 HydrophobicContact CG2-CB 4.14Å; F68-C192 HydrophobicContact CB-CB 3.95Å; F68-C192 HydrophobicContact CD1-CB 4.15Å; F68-C192 HydrophobicContact CD2-CB 3.59Å; F68-C192 HydrophobicContact CE2-CB 4.03Å; F68-C192 HydrophobicContact CG-CB 3.64Å; F68-C192 HydrophobicContact CZ-CB 4.5Å; N71-C192 PolarHBondContact O-N 3.27Å; K189-C192 PolarHBondContact O-N 2.88Å; K189-C192 PolarHBondContact O-SG 3.18Å; R190-C192 PolarHBondContact O-N 3.39Å; C192-R194 PolarHBondContact O-N 3.44Å; C192-R194 VanDerWaalsContact O-N 3.16Å; C192-H195 WeakPolarHBondContact O-CB 3.42Å; C192-H195 PolarHBondContact O-N 3.49Å
193L98.3Very high96.3Very high0 Ų045.1 Ų45.10%023%0.228CC..G310 helixtrans-61.9-28-176.7-63.5177.4000112.4L10 R190 Y191 H195 V196 E197 I204 I220 D223 R225 T226L10-L193 HydrophobicContact CD1-CD2 4.02Å; R190-L193 HydrophobicContact CB-CD1 4.4Å; R190-L193 WeakPolarHBondContact O-CB 3.48Å; R190-L193 PolarHBondContact O-N 2.92Å; R190-L193 VanDerWaalsContact O-N 3.1Å; Y191-L193 PolarHBondContact O-N 2.95Å; L193-H195 PolarHBondContact O-N 3.44Å; L193-V196 HydrophobicContact CD2-CG2 4.37Å; L193-V196 WeakPolarHBondContact O-CG2 3.37Å; L193-V196 PolarHBondContact O-N 2.83Å; L193-V196 VanDerWaalsContact O-N 3.14Å; L193-E197 WeakPolarHBondContact O-CB 3.4Å; L193-E197 PolarHBondContact O-N 3.32Å; L193-I204 HydrophobicContact CD2-CG2 4.39Å; L193-I220 HydrophobicContact CD1-CG1 4.34Å; L193-I220 HydrophobicContact CD2-CD1 4.21Å; L193-I220 HydrophobicContact CD2-CG1 4.5Å; L193-I220 HydrophobicContact CG-CD1 4.4Å; L193-D223 HydrophobicContact CD1-CB 3.94Å; L193-R225 HydrophobicContact CD1-CB 4.45Å; L193-T226 HydrophobicContact CD1-CG2 4.02Å; L193-T226 HydrophobicContact CD2-CG2 3.84Å
194R97.2Very high96.4Very high121 Ų12144.6 Ų44.646%0.45723%0.226SC..G310 helixtrans-60.1-25.6174.977.7-173.148.2-153.5-11.7113.6Y191 C192 V196Y191-R194 WeakPolarHBondContact O-CD 3.5Å; Y191-R194 WeakPolarHBondContact O-CG 3.46Å; Y191-R194 PolarHBondContact O-N 3.48Å; Y191-R194 PolarHBondContact O-NE 3.37Å; Y191-R194 PolarHBondContact OH-NH1 3Å; C192-R194 PolarHBondContact O-N 3.44Å; C192-R194 VanDerWaalsContact O-N 3.16Å; R194-V196 VanDerWaalsContact C-N 3.35Å
195H97.9Very high96.5Very high27 Ų2745 Ų4513%0.12523%0.228CC..G310 helixtrans-84.7-13.5-177.3-56.5-50.1000112.6F68 G72 L82 C83 Y191 C192 L193 D199F68-H195 AromaticContact CD1-CD2 3.96Å; F68-H195 HydrophobicContact CE1-CB 3.74Å; F68-H195 AromaticContact CE1-CD2 3.63Å; F68-H195 HydrophobicContact CZ-CB 3.87Å; G72-H195 PolarHBondContact O-NE2 3.16Å; L82-H195 HydrophobicContact CD2-CB 4.17Å; C83-H195 PolarHBondContact SG-CE1 3.41Å; Y191-H195 AromaticContact CE1-NE2 3.83Å; C192-H195 WeakPolarHBondContact O-CB 3.42Å; C192-H195 PolarHBondContact O-N 3.49Å; L193-H195 PolarHBondContact O-N 3.44Å; H195-D199 VanDerWaalsContact O-OD2 3.13Å
196V97.8Very high96.7Very high0 Ų040.7 Ų40.70%021%0.205CC..THydrogen-bonded Turntrans-123.9-18.6-174.1-59.70000113.5L8 Y66 F68 L193 R194 N198 D199 Y201 I204L8-V196 HydrophobicContact CD2-CB 3.81Å; L8-V196 HydrophobicContact CD2-CG1 3.7Å; L8-V196 HydrophobicContact CD2-CG2 4.07Å; Y66-V196 HydrophobicContact CD1-CG1 3.84Å; Y66-V196 HydrophobicContact CD2-CG1 4.46Å; Y66-V196 HydrophobicContact CE1-CG1 3.76Å; Y66-V196 HydrophobicContact CE2-CG1 4.43Å; Y66-V196 HydrophobicContact CG-CG1 4.2Å; F68-V196 HydrophobicContact CE2-CG1 3.99Å; F68-V196 HydrophobicContact CZ-CG1 3.72Å; L193-V196 HydrophobicContact CD2-CG2 4.37Å; L193-V196 WeakPolarHBondContact O-CG2 3.37Å; L193-V196 PolarHBondContact O-N 2.83Å; L193-V196 VanDerWaalsContact O-N 3.14Å; R194-V196 VanDerWaalsContact C-N 3.35Å; V196-N198 PolarHBondContact O-N 2.98Å; V196-N198 VanDerWaalsContact O-N 3.14Å; V196-D199 WeakPolarHBondContact O-CB 3.31Å; V196-D199 PolarHBondContact O-N 3.39Å; V196-D199 VanDerWaalsContact O-N 3.1Å; V196-Y201 HydrophobicContact CB-CD2 4.37Å; V196-Y201 HydrophobicContact CB-CE2 4.34Å; V196-I204 HydrophobicContact CG2-CD1 3.81Å
197E94.8Very high97Very high89 Ų8939.7 Ų39.742%0.41620%0.195SC..THydrogen-bonded Turntrans-62.7-24.1-174.567.2-172168.400113.9L193 R225L193-E197 WeakPolarHBondContact O-CB 3.4Å; L193-E197 PolarHBondContact O-N 3.32Å; E197-R225 IonicContact OE2-CZ 3.04Å; E197-R225 IonicContact OE2-NH1 3.89Å; E197-R225 PolarHBondContact OE2-NH1 3.35Å
198N94.8Very high97.1Very high139 Ų13939.5 Ų39.574%0.74319%0.194SC*.THydrogen-bonded Turntrans-102.16.8179.8-62.9-53.9000113.7V196 G200V196-N198 PolarHBondContact O-N 2.98Å; V196-N198 VanDerWaalsContact O-N 3.14Å; N198-G200 VanDerWaalsContact C-N 3.26Å; N198-G200 PolarHBondContact O-N 3.09Å
199D96Very high97.3Very high58 Ų5841 Ų4131%0.3120%0.202SC..THydrogen-bonded Turntrans-87.410.8-176.3-72.8-28.6000114Y66 K77 H195 V196 Y201Y66-D199 PolarHBondContact OH-OD2 3.25Å; K77-D199 IonicContact NZ-OD1 3.34Å; K77-D199 PolarHBondContact NZ-OD1 2.84Å; K77-D199 IonicContact NZ-OD2 2.69Å; K77-D199 PolarHBondContact NZ-OD2 3.43Å; H195-D199 VanDerWaalsContact O-OD2 3.13Å; V196-D199 WeakPolarHBondContact O-CB 3.31Å; V196-D199 PolarHBondContact O-N 3.39Å; V196-D199 VanDerWaalsContact O-N 3.1Å; D199-Y201 VanDerWaalsContact C-N 3.35Å; D199-Y201 HydrophobicContact CB-CD2 3.82Å; D199-Y201 HydrophobicContact CB-CE2 3.45Å; D199-Y201 VanDerWaalsContact CB-CE2 3.45Å
200G96.1Very high97.2Very high53 Ų5346 Ų4655%0.54622%0.224SC..THydrogen-bonded Turntrans79.513.1175.100000114.8N198 K202N198-G200 VanDerWaalsContact C-N 3.26Å; N198-G200 PolarHBondContact O-N 3.09Å; G200-K202 PolarHBondContact O-N 3.17Å
201Y97.1Very high97.1Very high41 Ų4142.5 Ų42.516%0.16121%0.212CC..  trans-70126.1172.9-58.9-59.3000110.8P6 L8 K40 Y66 V196 D199P6-Y201 HydrophobicContact CB-CD1 4.44Å; P6-Y201 CarbonylContact O-C 3.54Å; P6-Y201 WeakPolarHBondContact O-CA 3.44Å; L8-Y201 HydrophobicContact CB-CD1 3.93Å; L8-Y201 HydrophobicContact CB-CD2 3.96Å; L8-Y201 HydrophobicContact CB-CE1 4.05Å; L8-Y201 HydrophobicContact CB-CE2 4.07Å; L8-Y201 HydrophobicContact CB-CG 3.91Å; L8-Y201 HydrophobicContact CD2-CD2 4.1Å; L8-Y201 HydrophobicContact CD2-CE2 3.93Å; K40-Y201 HydrophobicContact CB-CE1 4.09Å; K40-Y201 HydrophobicContact CG-CE1 4.07Å; Y66-Y201 HydrophobicContact CE2-CE2 4.15Å; Y66-Y201 VanDerWaalsContact CE2-OH 3.25Å; Y66-Y201 WeakPolarHBondContact CE2-OH 3.47Å; Y66-Y201 PolarHBondContact OH-OH 3.42Å; V196-Y201 HydrophobicContact CB-CD2 4.37Å; V196-Y201 HydrophobicContact CB-CE2 4.34Å; D199-Y201 VanDerWaalsContact C-N 3.35Å; D199-Y201 HydrophobicContact CB-CD2 3.82Å; D199-Y201 HydrophobicContact CB-CE2 3.45Å; D199-Y201 VanDerWaalsContact CB-CE2 3.45Å
202K96.3Very high96.9Very high150 Ų15048.7 Ų48.765%0.65224%0.243SC*.SBendtrans-77.3-26.6171.5-68.4-165.6-173.7178.10112.5P4 P6 G200P4-K202 WeakPolarHBondContact O-CD 3.29Å; P6-K202 PolarHBondContact O-N 2.93Å; G200-K202 PolarHBondContact O-N 3.17Å
203T97.3Very high96.5Very high20 Ų2053.5 Ų53.512%0.12327%0.274CS..EExtended strand (participates in β ladder)trans-144.2129-179.8-50.20000109.7A7 L8 Y205 V227A7-T203 VanDerWaalsContact CA-O 3.24Å; A7-T203 WeakPolarHBondContact CA-O 3.21Å; A7-T203 WeakPolarHBondContact CB-O 3.3Å; L8-T203 PolarHBondContact N-O 3.2Å; L8-T203 VanDerWaalsContact N-O 3.08Å; T203-Y205 HydrophobicContact CG2-CD1 4.15Å; T203-Y205 HydrophobicContact CG2-CD2 4.12Å; T203-Y205 HydrophobicContact CG2-CE1 3.72Å; T203-Y205 HydrophobicContact CG2-CE2 3.65Å; T203-Y205 HydrophobicContact CG2-CG 4.36Å; T203-Y205 VanDerWaalsContact CG2-CZ 3.44Å; T203-V227 HydrophobicContact CG2-CB 4.41Å; T203-V227 HydrophobicContact CG2-CG2 3.66Å
204I98.4Very high95.7Very high11 Ų1157.2 Ų57.26%0.05631%0.312CS..EExtended strand (participates in β ladder)trans-108.8110.6170.6-58.7168.4000106.4L8 L10 L193 V196 T226 V227L8-I204 HydrophobicContact CD2-CG2 4.37Å; L8-I204 CarbonylContact O-C 3.58Å; L8-I204 WeakPolarHBondContact O-CA 3.33Å; L10-I204 HydrophobicContact CD1-CG2 3.82Å; L10-I204 HydrophobicContact CG-CG2 4.16Å; L193-I204 HydrophobicContact CD2-CG2 4.39Å; V196-I204 HydrophobicContact CG2-CD1 3.81Å; I204-T226 HydrophobicContact CG2-CG2 4.26Å; I204-T226 CarbonylContact O-C 3.24Å; I204-T226 VanDerWaalsContact O-CA 3.23Å; I204-T226 WeakPolarHBondContact O-CA 3.41Å; I204-V227 PolarHBondContact O-N 3.01Å
205Y98.6Very high95.2Very high7 Ų752.2 Ų52.23%0.02730%0.298CS..EExtended strand (participates in β ladder)trans-84.1134.8172.5-60.5-79.3000108.6A2 A3 A7 L8 L10 I39 T203 V227 Y229 F245A2-Y205 WeakPolarHBondContact CA-OH 3.33Å; A3-Y205 PolarHBondContact N-OH 2.95Å; A7-Y205 HydrophobicContact CB-CD2 4.38Å; A7-Y205 HydrophobicContact CB-CE2 3.92Å; L8-Y205 PolarHBondContact O-N 2.85Å; L10-Y205 PolarHBondContact N-O 2.87Å; I39-Y205 HydrophobicContact CD1-CD2 4.14Å; I39-Y205 HydrophobicContact CD1-CE2 4.23Å; T203-Y205 HydrophobicContact CG2-CD1 4.15Å; T203-Y205 HydrophobicContact CG2-CD2 4.12Å; T203-Y205 HydrophobicContact CG2-CE1 3.72Å; T203-Y205 HydrophobicContact CG2-CE2 3.65Å; T203-Y205 HydrophobicContact CG2-CG 4.36Å; T203-Y205 VanDerWaalsContact CG2-CZ 3.44Å; Y205-V227 WeakPolarHBondContact CA-O 3.1Å; Y205-V227 HydrophobicContact CD1-CB 3.94Å; Y205-V227 HydrophobicContact CD1-CG1 4.24Å; Y205-V227 HydrophobicContact CE1-CB 4.24Å; Y205-V227 HydrophobicContact CE1-CG1 4.34Å; Y205-Y229 HydrophobicContact CD1-CD2 4.43Å; Y205-Y229 AromaticContact CD1-CE2 3.75Å; Y205-Y229 HydrophobicContact CD1-CE2 3.75Å; Y205-Y229 HydrophobicContact CE1-CE2 4.29Å; Y205-F245 HydrophobicContact CD1-CZ 4.48Å; Y205-F245 HydrophobicContact CD2-CE1 4.06Å; Y205-F245 AromaticContact CD2-CZ 3.66Å; Y205-F245 HydrophobicContact CD2-CZ 3.66Å; Y205-F245 AromaticContact CE2-CE1 3.72Å; Y205-F245 HydrophobicContact CE2-CE1 3.72Å; Y205-F245 AromaticContact CE2-CZ 3.77Å; Y205-F245 HydrophobicContact CE2-CZ 3.77Å; Y205-F245 HydrophobicContact CG-CZ 4.02Å
206F98.8Very high94.9Very high0 Ų054.5 Ų54.50%031%0.311CS..EExtended strand (participates in β ladder)trans-120.2131.9173.9174.9-96.2000110L10 D12 V44 D217 I220 F221 T226 V227 G228 Y229L10-F206 HydrophobicContact CB-CD2 4.12Å; L10-F206 CarbonylContact O-C 3.52Å; L10-F206 VanDerWaalsContact O-CA 3.31Å; L10-F206 WeakPolarHBondContact O-CA 3.38Å; D12-F206 HydrophobicContact CB-CZ 4.29Å; V44-F206 HydrophobicContact CG1-CD2 4.5Å; V44-F206 HydrophobicContact CG1-CE2 3.87Å; F206-D217 HydrophobicContact CE1-CB 3.83Å; F206-D217 HydrophobicContact CZ-CB 3.95Å; F206-D217 WeakPolarHBondContact CZ-OD1 3.47Å; F206-I220 HydrophobicContact CD1-CG1 4.5Å; F206-I220 HydrophobicContact CD1-CG2 4.03Å; F206-I220 HydrophobicContact CD2-CD1 3.59Å; F206-I220 HydrophobicContact CD2-CG1 3.88Å; F206-I220 HydrophobicContact CD2-CG2 4.11Å; F206-I220 HydrophobicContact CE1-CG2 3.63Å; F206-I220 HydrophobicContact CE2-CD1 3.84Å; F206-I220 HydrophobicContact CE2-CG1 4.25Å; F206-I220 HydrophobicContact CE2-CG2 3.69Å; F206-I220 HydrophobicContact CG-CD1 4.23Å; F206-I220 HydrophobicContact CG-CG1 4.02Å; F206-I220 HydrophobicContact CG-CG2 4.26Å; F206-I220 HydrophobicContact CZ-CG2 3.44Å; F206-I220 VanDerWaalsContact CZ-CG2 3.44Å; F206-F221 HydrophobicContact CD1-CB 4.05Å; F206-F221 HydrophobicContact CD1-CD2 4.47Å; F206-F221 HydrophobicContact CE1-CB 4.17Å; F206-T226 HydrophobicContact CB-CG2 4.27Å; F206-V227 PolarHBondContact N-O 2.88Å; F206-G228 CarbonylContact O-C 3.57Å; F206-G228 WeakPolarHBondContact O-CA 3.31Å; F206-Y229 PolarHBondContact O-N 3.26Å
207F98.8Very high94.8Very high0 Ų054.5 Ų54.50%031%0.311CS..EExtended strand (participates in β ladder)trans-118.1129.4177.1-60.6-98.4000109.4C9 L10 F11 D12 T16 Y229 V231 T237 I240 L244 F245C9-F207 HydrophobicContact CB-CE2 4.08Å; L10-F207 PolarHBondContact O-N 3.49Å; F11-F207 HydrophobicContact CD1-CB 3.69Å; F11-F207 AromaticContact CD1-CD2 3.64Å; F11-F207 HydrophobicContact CD1-CD2 3.64Å; F11-F207 HydrophobicContact CD1-CE2 4.49Å; F11-F207 AromaticContact CD1-CG 3.8Å; F11-F207 HydrophobicContact CD1-CG 3.8Å; F11-F207 HydrophobicContact CE1-CB 4.18Å; F11-F207 HydrophobicContact CE1-CD1 4.44Å; F11-F207 AromaticContact CE1-CD2 3.37Å; F11-F207 HydrophobicContact CE1-CD2 3.37Å; F11-F207 AromaticContact CE1-CE2 3.81Å; F11-F207 HydrophobicContact CE1-CE2 3.81Å; F11-F207 AromaticContact CE1-CG 3.75Å; F11-F207 HydrophobicContact CE1-CG 3.75Å; F11-F207 HydrophobicContact CG-CD2 4.5Å; F11-F207 HydrophobicContact CZ-CD2 4.08Å; F11-F207 HydrophobicContact CZ-CE2 4.18Å; D12-F207 PolarHBondContact N-O 2.97Å; T16-F207 HydrophobicContact CG2-CB 4.11Å; T16-F207 WeakPolarHBondContact CG2-O 3.38Å; F207-Y229 WeakPolarHBondContact CA-O 3.15Å; F207-Y229 HydrophobicContact CD1-CG 4.29Å; F207-Y229 HydrophobicContact CE1-CD2 4.12Å; F207-Y229 AromaticContact CE1-CG 3.94Å; F207-Y229 HydrophobicContact CE1-CG 3.94Å; F207-Y229 HydrophobicContact CZ-CD2 4.21Å; F207-Y229 HydrophobicContact CZ-CG 4.49Å; F207-V231 HydrophobicContact CD1-CG1 4.38Å; F207-T237 HydrophobicContact CB-CG2 4.43Å; F207-T237 HydrophobicContact CD1-CG2 4.35Å; F207-T237 HydrophobicContact CG-CG2 4.45Å; F207-I240 HydrophobicContact CE1-CB 4.24Å; F207-I240 HydrophobicContact CE1-CG2 3.75Å; F207-L244 HydrophobicContact CZ-CD1 4.17Å; F207-F245 HydrophobicContact CZ-CE2 4.3Å
208G98.4Very high94.8Very high0 Ų052.5 Ų52.50%030%0.302CS..EExtended strand (participates in β ladder)trans-157155.6-179.500000114T16 T211 Y229 S230 V231T16-G208 WeakPolarHBondContact OG1-CA 3.41Å; G208-T211 WeakPolarHBondContact O-CG2 3.38Å; G208-Y229 PolarHBondContact N-O 3.01Å; G208-S230 WeakPolarHBondContact O-CA 3.48Å; G208-V231 WeakPolarHBondContact O-CG2 3.42Å; G208-V231 PolarHBondContact O-N 2.88Å
209D97.6Very high94.9Very high46 Ų4648.7 Ų48.725%0.24628%0.28CS..SBendtrans-93.2-23.5-177.878.9-44.1000113.3T16 D217 V231T16-D209 PolarHBondContact OG1-N 2.85Å; D209-D217 PolarHBondContact N-OD2 2.69Å; D209-D217 VanDerWaalsContact N-OD2 3.17Å; D209-V231 VanDerWaalsContact CA-O 3.31Å; D209-V231 WeakPolarHBondContact CA-O 3.11Å
210K94.1Very high94.9Very high107 Ų10746 Ų4647%0.46527%0.265SS..  trans-116.456.4-174.7-69.8177.4-164.4170.40112.4G215 N216 D217 H218K210-G215 CarbonylContact O-C 3.56Å; K210-G215 VanDerWaalsContact O-C 3.24Å; K210-G215 VanDerWaalsContact O-CA 3.22Å; K210-G215 WeakPolarHBondContact O-CA 3.41Å; K210-N216 WeakPolarHBondContact CB-OD1 3.17Å; K210-N216 WeakPolarHBondContact CD-OD1 3.13Å; K210-D217 PolarHBondContact N-OD2 3.39Å; K210-D217 WeakPolarHBondContact O-CB 3.33Å; K210-D217 PolarHBondContact O-N 2.91Å; K210-D217 VanDerWaalsContact O-N 3.12Å; K210-H218 PolarHBondContact O-N 2.76Å
211T96.3Very high95Very high11 Ų1146 Ų467%0.06725%0.25CS..  trans-87-8.1-174.559.70000114.2G208 D217 H218 F221 S230G208-T211 WeakPolarHBondContact O-CG2 3.38Å; T211-D217 HydrophobicContact CG2-CB 3.97Å; T211-H218 PolarHBondContact O-ND1 3.09Å; T211-F221 HydrophobicContact CG2-CB 3.93Å; T211-F221 HydrophobicContact CG2-CD1 4.45Å; T211-F221 HydrophobicContact CG2-CD2 3.39Å; T211-F221 HydrophobicContact CG2-CE2 3.99Å; T211-F221 HydrophobicContact CG2-CG 3.67Å; T211-S230 WeakPolarHBondContact OG1-CB 3.38Å; T211-S230 PolarHBondContact OG1-OG 2.67Å
212M92.9Very high95.1Very high143 Ų14347.7 Ų47.770%0.70427%0.265SS*.SBendtrans-74.3153.6176-67-60.8-69.700111.7G214 G215 H218M212-G214 PolarHBondContact O-N 2.72Å; M212-G215 WeakPolarHBondContact O-CA 3.42Å; M212-G215 PolarHBondContact O-N 2.79Å; M212-H218 WeakPolarHBondContact O-CB 3.42Å
213P88.7Confident95.1Very high101 Ų10141.2 Ų41.266%0.65624%0.238SC*.THydrogen-bonded Turntrans-49.5126.1177.3-28.434.8000113
214G82.3Confident95.2Very high77 Ų7746.3 Ų46.379%0.79427%0.271SS*.THydrogen-bonded Turntrans90.5-8.7-174.800000114.8M212M212-G214 PolarHBondContact O-N 2.72Å
215G87.4Confident95.1Very high16 Ų1650.2 Ų50.217%0.16529%0.285CS..SBendtrans-79.2151.5165.800000111.6K210 M212 D217 H218K210-G215 CarbonylContact O-C 3.56Å; K210-G215 VanDerWaalsContact O-C 3.24Å; K210-G215 VanDerWaalsContact O-CA 3.22Å; K210-G215 WeakPolarHBondContact O-CA 3.41Å; M212-G215 WeakPolarHBondContact O-CA 3.42Å; M212-G215 PolarHBondContact O-N 2.79Å; G215-D217 PolarHBondContact O-N 2.86Å; G215-H218 WeakPolarHBondContact O-CB 3.43Å; G215-H218 PolarHBondContact O-N 3.37Å
216N89.9Confident95.1Very high76 Ų7650.7 Ų50.741%0.40629%0.289SS..THydrogen-bonded Turntrans-75.9-4.7-175.164.5-32.3000114.3K189 K210K189-N216 WeakPolarHBondContact CD-O 3.1Å; K210-N216 WeakPolarHBondContact CB-OD1 3.17Å; K210-N216 WeakPolarHBondContact CD-OD1 3.13Å
217D95.9Very high95.1Very high0 Ų053.7 Ų53.70%031%0.307CS..THydrogen-bonded Turntrans-98.3-12.2172.1-62.5-46.7000113.1K189 F206 D209 K210 T211 G215 E219 I220 F221K189-D217 WeakPolarHBondContact CD-OD1 3.35Å; K189-D217 WeakPolarHBondContact CE-OD1 3.1Å; K189-D217 IonicContact NZ-OD1 2.99Å; K189-D217 PolarHBondContact NZ-OD1 3.01Å; F206-D217 HydrophobicContact CE1-CB 3.83Å; F206-D217 HydrophobicContact CZ-CB 3.95Å; F206-D217 WeakPolarHBondContact CZ-OD1 3.47Å; D209-D217 PolarHBondContact N-OD2 2.69Å; D209-D217 VanDerWaalsContact N-OD2 3.17Å; K210-D217 PolarHBondContact N-OD2 3.39Å; K210-D217 WeakPolarHBondContact O-CB 3.33Å; K210-D217 PolarHBondContact O-N 2.91Å; K210-D217 VanDerWaalsContact O-N 3.12Å; T211-D217 HydrophobicContact CG2-CB 3.97Å; G215-D217 PolarHBondContact O-N 2.86Å; D217-E219 VanDerWaalsContact C-N 3.33Å; D217-E219 PolarHBondContact O-N 3.44Å; D217-I220 WeakPolarHBondContact O-CG2 3.48Å; D217-I220 PolarHBondContact O-N 3.02Å; D217-F221 WeakPolarHBondContact O-CB 3.11Å; D217-F221 PolarHBondContact O-N 2.97Å
218H95.4Very high95.1Very high46 Ų4654.9 Ų54.921%0.21332%0.319CS..Hα-helixtrans-57.2-46.8-168.7-17862.6000112.5K210 T211 M212 G215 F221 T222K210-H218 PolarHBondContact O-N 2.76Å; T211-H218 PolarHBondContact O-ND1 3.09Å; M212-H218 WeakPolarHBondContact O-CB 3.42Å; G215-H218 WeakPolarHBondContact O-CB 3.43Å; G215-H218 PolarHBondContact O-N 3.37Å; H218-F221 PolarHBondContact O-N 3.24Å; H218-T222 WeakPolarHBondContact O-CB 3.38Å; H218-T222 WeakPolarHBondContact O-CG2 3.25Å; H218-T222 PolarHBondContact O-N 3.18Å; H218-T222 PolarHBondContact O-OG1 3.35Å
219E95.7Very high95.1Very high60 Ų6057.9 Ų57.928%0.2833%0.331SS..Hα-helixtrans-67.1-41.1-175.9-68.676.9-167.400112.4D188 R190 D217 D223D188-E219 HydrophobicContact CB-CB 4.43Å; D188-E219 WeakPolarHBondContact OD1-CB 3.46Å; R190-E219 VanDerWaalsContact CD-O 3.3Å; R190-E219 WeakPolarHBondContact CD-O 3.47Å; R190-E219 HydrophobicContact CG-CB 4.09Å; R190-E219 WeakPolarHBondContact CG-O 3.49Å; D217-E219 VanDerWaalsContact C-N 3.33Å; D217-E219 PolarHBondContact O-N 3.44Å; E219-D223 PolarHBondContact O-N 2.79Å
220I97.9Very high95.1Very high0 Ų058.5 Ų58.50%034%0.339CS..Hα-helixtrans-72.6-39.5176.2-176.4166.9000111.2V44 K189 R190 L193 F206 D217 T222 D223 T226V44-I220 HydrophobicContact CG1-CD1 4.37Å; K189-I220 HydrophobicContact CB-CB 3.79Å; K189-I220 HydrophobicContact CB-CD1 4.11Å; K189-I220 HydrophobicContact CB-CG2 3.53Å; K189-I220 HydrophobicContact CD-CG2 4.1Å; K189-I220 HydrophobicContact CG-CG2 4.44Å; R190-I220 HydrophobicContact CG-CB 4.24Å; L193-I220 HydrophobicContact CD1-CG1 4.34Å; L193-I220 HydrophobicContact CD2-CD1 4.21Å; L193-I220 HydrophobicContact CD2-CG1 4.5Å; L193-I220 HydrophobicContact CG-CD1 4.4Å; F206-I220 HydrophobicContact CD1-CG1 4.5Å; F206-I220 HydrophobicContact CD1-CG2 4.03Å; F206-I220 HydrophobicContact CD2-CD1 3.59Å; F206-I220 HydrophobicContact CD2-CG1 3.88Å; F206-I220 HydrophobicContact CD2-CG2 4.11Å; F206-I220 HydrophobicContact CE1-CG2 3.63Å; F206-I220 HydrophobicContact CE2-CD1 3.84Å; F206-I220 HydrophobicContact CE2-CG1 4.25Å; F206-I220 HydrophobicContact CE2-CG2 3.69Å; F206-I220 HydrophobicContact CG-CD1 4.23Å; F206-I220 HydrophobicContact CG-CG1 4.02Å; F206-I220 HydrophobicContact CG-CG2 4.26Å; F206-I220 HydrophobicContact CZ-CG2 3.44Å; F206-I220 VanDerWaalsContact CZ-CG2 3.44Å; D217-I220 WeakPolarHBondContact O-CG2 3.48Å; D217-I220 PolarHBondContact O-N 3.02Å; I220-T222 VanDerWaalsContact C-N 3.29Å; I220-T222 PolarHBondContact O-N 3.46Å; I220-D223 WeakPolarHBondContact O-CB 3.49Å; I220-D223 PolarHBondContact O-N 3Å; I220-T226 HydrophobicContact CG1-CG2 4.2Å; I220-T226 PolarHBondContact O-OG1 3.22Å
221F98.1Very high95.3Very high54 Ų5453.6 Ų53.624%0.23732%0.318CS..Hα-helixtrans-62.1-36.2178.7172.5-90000112.7F206 T211 D217 H218 G228 S230F206-F221 HydrophobicContact CD1-CB 4.05Å; F206-F221 HydrophobicContact CD1-CD2 4.47Å; F206-F221 HydrophobicContact CE1-CB 4.17Å; T211-F221 HydrophobicContact CG2-CB 3.93Å; T211-F221 HydrophobicContact CG2-CD1 4.45Å; T211-F221 HydrophobicContact CG2-CD2 3.39Å; T211-F221 HydrophobicContact CG2-CE2 3.99Å; T211-F221 HydrophobicContact CG2-CG 3.67Å; D217-F221 WeakPolarHBondContact O-CB 3.11Å; D217-F221 PolarHBondContact O-N 2.97Å; H218-F221 PolarHBondContact O-N 3.24Å; F221-G228 VanDerWaalsContact CD2-CA 3.49Å; F221-G228 WeakPolarHBondContact CE2-O 3.26Å; F221-S230 WeakPolarHBondContact CE2-OG 3.48Å
222T97.5Very high95.3Very high77 Ų7759 Ų5947%0.47235%0.351SS..THydrogen-bonded Turntrans-91.8-3178.956.80000113.6H218 I220H218-T222 WeakPolarHBondContact O-CB 3.38Å; H218-T222 WeakPolarHBondContact O-CG2 3.25Å; H218-T222 PolarHBondContact O-N 3.18Å; H218-T222 PolarHBondContact O-OG1 3.35Å; I220-T222 VanDerWaalsContact C-N 3.29Å; I220-T222 PolarHBondContact O-N 3.46Å
223D98.1Very high95.5Very high14 Ų1453.5 Ų53.58%0.07533%0.328CS..  trans-66.7129.6179.2-168.1-66.1000109.8R190 L193 E219 I220 R225 T226R190-D223 WeakPolarHBondContact CD-OD2 3.44Å; R190-D223 HydrophobicContact CG-CB 4.18Å; L193-D223 HydrophobicContact CD1-CB 3.94Å; E219-D223 PolarHBondContact O-N 2.79Å; I220-D223 WeakPolarHBondContact O-CB 3.49Å; I220-D223 PolarHBondContact O-N 3Å; D223-R225 PolarHBondContact O-N 3.49Å; D223-R225 VanDerWaalsContact OD1-CB 3.29Å; D223-R225 WeakPolarHBondContact OD1-CB 3.38Å; D223-R225 WeakPolarHBondContact OD1-CG 3.28Å; D223-R225 IonicContact OD1-CZ 3.61Å; D223-R225 PolarHBondContact OD1-N 2.87Å; D223-R225 IonicContact OD1-NE 3.56Å; D223-R225 PolarHBondContact OD1-NE 3.26Å; D223-R225 IonicContact OD1-NH2 3.28Å; D223-R225 IonicContact OD2-CZ 2.76Å; D223-R225 IonicContact OD2-NE 3.09Å; D223-R225 IonicContact OD2-NH2 2.71Å; D223-R225 PolarHBondContact OD2-NH2 3.31Å; D223-T226 PolarHBondContact O-N 2.97Å; D223-T226 PolarHBondContact O-OG1 3.44Å
224P97.7Very high96Very high127 Ų12749.5 Ų49.583%0.82530%0.302SS*.THydrogen-bonded Turntrans-61.8-15.3-176.226-36.8000114.2
225R97.8Very high96.7Very high93 Ų9352.2 Ų52.235%0.35129%0.294SS..THydrogen-bonded Turntrans-77.3-11.2174.2-64.9171-71178.81112.8L193 E197 D223L193-R225 HydrophobicContact CD1-CB 4.45Å; E197-R225 IonicContact OE2-CZ 3.04Å; E197-R225 IonicContact OE2-NH1 3.89Å; E197-R225 PolarHBondContact OE2-NH1 3.35Å; D223-R225 PolarHBondContact O-N 3.49Å; D223-R225 VanDerWaalsContact OD1-CB 3.29Å; D223-R225 WeakPolarHBondContact OD1-CB 3.38Å; D223-R225 WeakPolarHBondContact OD1-CG 3.28Å; D223-R225 IonicContact OD1-CZ 3.61Å; D223-R225 PolarHBondContact OD1-N 2.87Å; D223-R225 IonicContact OD1-NE 3.56Å; D223-R225 PolarHBondContact OD1-NE 3.26Å; D223-R225 IonicContact OD1-NH2 3.28Å; D223-R225 IonicContact OD2-CZ 2.76Å; D223-R225 IonicContact OD2-NE 3.09Å; D223-R225 IonicContact OD2-NH2 2.71Å; D223-R225 PolarHBondContact OD2-NH2 3.31Å
226T98.2Very high97.2Very high17 Ų1753 Ų5310%0.10430%0.295CS..EExtended strand (participates in β ladder)trans-115.1153.2-176.570.30000112.8L193 I204 F206 I220 D223L193-T226 HydrophobicContact CD1-CG2 4.02Å; L193-T226 HydrophobicContact CD2-CG2 3.84Å; I204-T226 HydrophobicContact CG2-CG2 4.26Å; I204-T226 CarbonylContact O-C 3.24Å; I204-T226 VanDerWaalsContact O-CA 3.23Å; I204-T226 WeakPolarHBondContact O-CA 3.41Å; F206-T226 HydrophobicContact CB-CG2 4.27Å; I220-T226 HydrophobicContact CG1-CG2 4.2Å; I220-T226 PolarHBondContact O-OG1 3.22Å; D223-T226 PolarHBondContact O-N 2.97Å; D223-T226 PolarHBondContact O-OG1 3.44Å
227V98.1Very high97.6Very high62 Ų6249.4 Ų49.438%0.37628%0.275SS..EExtended strand (participates in β ladder)trans-105.1100.8161.8-175.70000106.8T203 I204 Y205 F206 Y229T203-V227 HydrophobicContact CG2-CB 4.41Å; T203-V227 HydrophobicContact CG2-CG2 3.66Å; I204-V227 PolarHBondContact O-N 3.01Å; Y205-V227 WeakPolarHBondContact CA-O 3.1Å; Y205-V227 HydrophobicContact CD1-CB 3.94Å; Y205-V227 HydrophobicContact CD1-CG1 4.24Å; Y205-V227 HydrophobicContact CE1-CB 4.24Å; Y205-V227 HydrophobicContact CE1-CG1 4.34Å; F206-V227 PolarHBondContact N-O 2.88Å; V227-Y229 HydrophobicContact CB-CE2 4.49Å; V227-Y229 HydrophobicContact CG1-CE2 3.7Å
228G97.9Very high97.7Very high25 Ų2553.1 Ų53.126%0.25829%0.289SS..EExtended strand (participates in β ladder)trans-80.1136.4-174.900000113.9F206 F221F206-G228 CarbonylContact O-C 3.57Å; F206-G228 WeakPolarHBondContact O-CA 3.31Å; F221-G228 VanDerWaalsContact CD2-CA 3.49Å; F221-G228 WeakPolarHBondContact CE2-O 3.26Å
229Y98.4Very high97.8Very high63 Ų6355.9 Ų55.925%0.24730%0.298CS..EExtended strand (participates in β ladder)trans-123.4114.6171.8-72.7-89.7000109.8Y205 F206 F207 G208 V227 I240 L244Y205-Y229 HydrophobicContact CD1-CD2 4.43Å; Y205-Y229 AromaticContact CD1-CE2 3.75Å; Y205-Y229 HydrophobicContact CD1-CE2 3.75Å; Y205-Y229 HydrophobicContact CE1-CE2 4.29Å; F206-Y229 PolarHBondContact O-N 3.26Å; F207-Y229 WeakPolarHBondContact CA-O 3.15Å; F207-Y229 HydrophobicContact CD1-CG 4.29Å; F207-Y229 HydrophobicContact CE1-CD2 4.12Å; F207-Y229 AromaticContact CE1-CG 3.94Å; F207-Y229 HydrophobicContact CE1-CG 3.94Å; F207-Y229 HydrophobicContact CZ-CD2 4.21Å; F207-Y229 HydrophobicContact CZ-CG 4.49Å; G208-Y229 PolarHBondContact N-O 3.01Å; V227-Y229 HydrophobicContact CB-CE2 4.49Å; V227-Y229 HydrophobicContact CG1-CE2 3.7Å; Y229-I240 HydrophobicContact CD1-CD1 4.47Å; Y229-I240 HydrophobicContact CD1-CG2 3.5Å; Y229-I240 HydrophobicContact CE1-CG2 3.89Å; Y229-I240 HydrophobicContact CG-CG2 4.05Å; Y229-L244 HydrophobicContact CD2-CD1 4.37Å; Y229-L244 HydrophobicContact CE1-CD1 3.93Å; Y229-L244 HydrophobicContact CE1-CD2 4.48Å; Y229-L244 HydrophobicContact CE2-CD1 3.8Å; Y229-L244 WeakPolarHBondContact OH-CD2 3.49Å
230S98.4Very high97.9Very high60 Ų6053.6 Ų53.642%0.4229%0.288SS..EExtended strand (participates in β ladder)trans-75.2132.6171.6-55.50000109.1G208 T211 F221G208-S230 WeakPolarHBondContact O-CA 3.48Å; T211-S230 WeakPolarHBondContact OG1-CB 3.38Å; T211-S230 PolarHBondContact OG1-OG 2.67Å; F221-S230 WeakPolarHBondContact CE2-OG 3.48Å
231V98.1Very high97.9Very high4 Ų453.7 Ų53.72%0.02429%0.288CS..  trans-124.2158.7175-66.30000110.1T16 F207 G208 D209 D236 I240T16-V231 HydrophobicContact CG2-CG2 3.97Å; F207-V231 HydrophobicContact CD1-CG1 4.38Å; G208-V231 WeakPolarHBondContact O-CG2 3.42Å; G208-V231 PolarHBondContact O-N 2.88Å; D209-V231 VanDerWaalsContact CA-O 3.31Å; D209-V231 WeakPolarHBondContact CA-O 3.11Å; V231-D236 WeakPolarHBondContact CA-OD2 3.2Å; V231-D236 HydrophobicContact CB-CB 4.29Å; V231-D236 HydrophobicContact CG1-CB 4.5Å; V231-I240 HydrophobicContact CG1-CD1 3.8Å
232T97Very high97.8Very high125 Ų12554.6 Ų54.677%0.76729%0.293SS*.SBendtrans-110.4-14.8175.159.40000113.8D236T232-D236 PolarHBondContact N-OD2 3.01Å
233A97Very high97.8Very high27 Ų2756.7 Ų56.722%0.22330%0.297CS..SBendtrans-165.2164.8-177.200000110.7G15 E235 D236 T237G15-A233 CarbonylContact O-C 3.52Å; G15-A233 WeakPolarHBondContact O-CA 3.35Å; A233-E235 WeakPolarHBondContact CB-OE2 3.46Å; A233-E235 PolarHBondContact O-N 2.81Å; A233-D236 WeakPolarHBondContact O-CB 3.04Å; A233-D236 PolarHBondContact O-N 3.14Å; A233-T237 PolarHBondContact O-N 2.96Å
234P98.1Very high97.6Very high17 Ų1757.1 Ų57.111%0.1130%0.299CS..Hα-helixtrans-54.3-36.7175.5-2737000114.1T16 M28 D236 T237 R238T16-P234 WeakPolarHBondContact O-CA 3.29Å; M28-P234 HydrophobicContact CE-CB 3.63Å; M28-P234 WeakPolarHBondContact CE-O 3.39Å; P234-D236 PolarHBondContact O-N 3.09Å; P234-T237 WeakPolarHBondContact O-CB 3.4Å; P234-T237 PolarHBondContact O-N 3.28Å; P234-R238 PolarHBondContact O-N 3.35Å
235E97.8Very high97.4Very high134 Ų13452.1 Ų52.163%0.62627%0.265SS*.Hα-helixtrans-63.2-33.9178.9-60.272.3-155.300111.6A233 R239A233-E235 WeakPolarHBondContact CB-OE2 3.46Å; A233-E235 PolarHBondContact O-N 2.81Å; E235-R239 WeakPolarHBondContact O-CB 3.33Å; E235-R239 PolarHBondContact O-N 2.75Å
236D97.6Very high96.3Very high32 Ų3254.2 Ų54.217%0.17129%0.294CS..Hα-helixtrans-73.2-41.8178.2-160.834.4000111.2V231 T232 A233 P234 R238 R239 I240V231-D236 WeakPolarHBondContact CA-OD2 3.2Å; V231-D236 HydrophobicContact CB-CB 4.29Å; V231-D236 HydrophobicContact CG1-CB 4.5Å; T232-D236 PolarHBondContact N-OD2 3.01Å; A233-D236 WeakPolarHBondContact O-CB 3.04Å; A233-D236 PolarHBondContact O-N 3.14Å; P234-D236 PolarHBondContact O-N 3.09Å; D236-R238 VanDerWaalsContact C-N 3.28Å; D236-R238 PolarHBondContact O-N 3.25Å; D236-R239 PolarHBondContact O-N 3.38Å; D236-R239 IonicContact OD1-CZ 2.68Å; D236-R239 VanDerWaalsContact OD1-CZ 3.28Å; D236-R239 IonicContact OD1-NE 3.83Å; D236-R239 PolarHBondContact OD1-NE 3.24Å; D236-R239 IonicContact OD1-NH2 2.88Å; D236-R239 PolarHBondContact OD1-NH2 3.09Å; D236-I240 VanDerWaalsContact O-CG1 3.32Å; D236-I240 WeakPolarHBondContact O-CG1 3.44Å; D236-I240 PolarHBondContact O-N 3.47Å
237T98.5Very high96.2Very high0 Ų056.1 Ų56.10%030%0.303CS..Hα-helixtrans-53.8-47.4171.2-55.60000111.3F11 T16 L17 M28 F207 A233 P234 C241F11-T237 HydrophobicContact CD1-CG2 3.7Å; F11-T237 HydrophobicContact CE1-CG2 3.67Å; T16-T237 WeakPolarHBondContact O-CB 3.49Å; T16-T237 PolarHBondContact O-OG1 2.83Å; L17-T237 HydrophobicContact CD2-CG2 4.08Å; M28-T237 HydrophobicContact CE-CG2 4.35Å; F207-T237 HydrophobicContact CB-CG2 4.43Å; F207-T237 HydrophobicContact CD1-CG2 4.35Å; F207-T237 HydrophobicContact CG-CG2 4.45Å; A233-T237 PolarHBondContact O-N 2.96Å; P234-T237 WeakPolarHBondContact O-CB 3.4Å; P234-T237 PolarHBondContact O-N 3.28Å; T237-C241 WeakPolarHBondContact O-CB 3.45Å; T237-C241 PolarHBondContact O-N 3.43Å; T237-C241 PolarHBondContact O-SG 3.05Å
238R98.1Very high96.1Very high78 Ų7855.8 Ų55.829%0.29430%0.3SS..Hα-helixtrans-61.3-51.1177.7176.7176.8171.6-169.9-2.8111.6E27 M28 F31 P234 D236 I240 C241 E242E27-R238 IonicContact OE1-CZ 3.8Å; E27-R238 IonicContact OE1-NH1 2.85Å; E27-R238 PolarHBondContact OE1-NH1 3.44Å; M28-R238 HydrophobicContact CE-CB 4.41Å; F31-R238 HydrophobicContact CD1-CB 4.29Å; F31-R238 HydrophobicContact CD1-CG 4.02Å; F31-R238 HydrophobicContact CD2-CG 3.89Å; F31-R238 HydrophobicContact CE1-CB 4.18Å; F31-R238 HydrophobicContact CE1-CG 3.99Å; F31-R238 HydrophobicContact CE2-CG 3.86Å; F31-R238 HydrophobicContact CG-CG 3.97Å; F31-R238 HydrophobicContact CZ-CB 4.47Å; F31-R238 HydrophobicContact CZ-CG 3.91Å; P234-R238 PolarHBondContact O-N 3.35Å; D236-R238 VanDerWaalsContact C-N 3.28Å; D236-R238 PolarHBondContact O-N 3.25Å; R238-I240 VanDerWaalsContact C-N 3.34Å; R238-I240 PolarHBondContact O-N 3.39Å; R238-C241 PolarHBondContact O-N 3.45Å; R238-E242 HydrophobicContact CG-CG 4.35Å; R238-E242 IonicContact CZ-OE1 3.69Å; R238-E242 IonicContact NE-OE1 2.7Å; R238-E242 PolarHBondContact NE-OE1 2.9Å; R238-E242 IonicContact NH2-OE1 3.55Å; R238-E242 PolarHBondContact NH2-OE1 2.9Å; R238-E242 WeakPolarHBondContact O-CG 3.48Å; R238-E242 PolarHBondContact O-N 2.95Å
239R98.3Very high96Very high104 Ų10457.5 Ų57.539%0.39230%0.302SS..Hα-helixtrans-54.9-48.6-179.7-178.2-17063.574.31111.5E235 D236 E242 E243E235-R239 WeakPolarHBondContact O-CB 3.33Å; E235-R239 PolarHBondContact O-N 2.75Å; D236-R239 PolarHBondContact O-N 3.38Å; D236-R239 IonicContact OD1-CZ 2.68Å; D236-R239 VanDerWaalsContact OD1-CZ 3.28Å; D236-R239 IonicContact OD1-NE 3.83Å; D236-R239 PolarHBondContact OD1-NE 3.24Å; D236-R239 IonicContact OD1-NH2 2.88Å; D236-R239 PolarHBondContact OD1-NH2 3.09Å; R239-E242 PolarHBondContact O-N 2.83Å; R239-E243 IonicContact CZ-OE1 3.18Å; R239-E243 IonicContact NH1-OE1 2.79Å; R239-E243 PolarHBondContact NH1-OE1 3.25Å; R239-E243 IonicContact NH1-OE2 2.72Å; R239-E243 PolarHBondContact NH1-OE2 2.68Å; R239-E243 VanDerWaalsContact NH1-OE2 3.09Å; R239-E243 WeakPolarHBondContact O-CG 3.49Å; R239-E243 PolarHBondContact O-N 3.31Å
240I98.1Very high95.9Very high13 Ų1357.2 Ų57.27%0.06731%0.305CS..Hα-helixtrans-64.9-42.5179.7-61.4172.9000110.7F207 Y229 V231 D236 R238 E242 E243 L244F207-I240 HydrophobicContact CE1-CB 4.24Å; F207-I240 HydrophobicContact CE1-CG2 3.75Å; Y229-I240 HydrophobicContact CD1-CD1 4.47Å; Y229-I240 HydrophobicContact CD1-CG2 3.5Å; Y229-I240 HydrophobicContact CE1-CG2 3.89Å; Y229-I240 HydrophobicContact CG-CG2 4.05Å; V231-I240 HydrophobicContact CG1-CD1 3.8Å; D236-I240 VanDerWaalsContact O-CG1 3.32Å; D236-I240 WeakPolarHBondContact O-CG1 3.44Å; D236-I240 PolarHBondContact O-N 3.47Å; R238-I240 VanDerWaalsContact C-N 3.34Å; R238-I240 PolarHBondContact O-N 3.39Å; I240-E242 VanDerWaalsContact C-N 3.33Å; I240-E242 PolarHBondContact O-N 3.21Å; I240-E243 PolarHBondContact O-N 2.94Å; I240-L244 HydrophobicContact CG2-CD1 3.78Å; I240-L244 HydrophobicContact CG2-CG 4.26Å; I240-L244 WeakPolarHBondContact O-CB 3.07Å; I240-L244 VanDerWaalsContact O-CG 3.29Å; I240-L244 WeakPolarHBondContact O-CG 3.36Å; I240-L244 PolarHBondContact O-N 2.99Å
241C97.8Very high95.7Very high1 Ų157 Ų571%0.00730%0.298CS..Hα-helixtrans-62.3-40.3176.3-72.80000112.1F31 L35 T237 R238 L244 F245F31-C241 HydrophobicContact CE1-CB 3.81Å; F31-C241 HydrophobicContact CZ-CB 3.52Å; L35-C241 HydrophobicContact CD2-CB 4.19Å; T237-C241 WeakPolarHBondContact O-CB 3.45Å; T237-C241 PolarHBondContact O-N 3.43Å; T237-C241 PolarHBondContact O-SG 3.05Å; R238-C241 PolarHBondContact O-N 3.45Å; C241-L244 PolarHBondContact O-N 2.9Å; C241-F245 HydrophobicContact CB-CD2 4.18Å; C241-F245 WeakPolarHBondContact O-CB 3.36Å; C241-F245 VanDerWaalsContact O-CD2 3.24Å; C241-F245 WeakPolarHBondContact O-CD2 3.36Å; C241-F245 PolarHBondContact O-N 3.23Å
242E96.3Very high95.6Very high74 Ų7460.5 Ų60.535%0.34632%0.316SS..Hα-helixtrans-60.6-47.8172.8-71.6174.817000110.2F31 R238 R239 I240 L244 S246F31-E242 HydrophobicContact CE2-CG 3.62Å; F31-E242 HydrophobicContact CZ-CG 4.08Å; R238-E242 HydrophobicContact CG-CG 4.35Å; R238-E242 IonicContact CZ-OE1 3.69Å; R238-E242 IonicContact NE-OE1 2.7Å; R238-E242 PolarHBondContact NE-OE1 2.9Å; R238-E242 IonicContact NH2-OE1 3.55Å; R238-E242 PolarHBondContact NH2-OE1 2.9Å; R238-E242 WeakPolarHBondContact O-CG 3.48Å; R238-E242 PolarHBondContact O-N 2.95Å; R239-E242 PolarHBondContact O-N 2.83Å; I240-E242 VanDerWaalsContact C-N 3.33Å; I240-E242 PolarHBondContact O-N 3.21Å; E242-L244 VanDerWaalsContact C-N 3.27Å; E242-L244 PolarHBondContact O-N 2.6Å; E242-S246 WeakPolarHBondContact O-CB 3.34Å; E242-S246 PolarHBondContact O-N 3.32Å; E242-S246 PolarHBondContact O-OG 2.94Å
243E95.8Very high95.5Very high120 Ų12055.9 Ų55.956%0.56128%0.284SS*.Hα-helixtrans-61.6-31.1178.3-71.6169-169.400114.1R239 I240R239-E243 IonicContact CZ-OE1 3.18Å; R239-E243 IonicContact NH1-OE1 2.79Å; R239-E243 PolarHBondContact NH1-OE1 3.25Å; R239-E243 IonicContact NH1-OE2 2.72Å; R239-E243 PolarHBondContact NH1-OE2 2.68Å; R239-E243 VanDerWaalsContact NH1-OE2 3.09Å; R239-E243 WeakPolarHBondContact O-CG 3.49Å; R239-E243 PolarHBondContact O-N 3.31Å; I240-E243 PolarHBondContact O-N 2.94Å
244L94.9Very high95.4Very high23 Ų2358.2 Ų58.212%0.1229%0.289CS..Hα-helixtrans-87-39.1-177.5-68.9174.9000113.7A2 F207 Y229 I240 C241 E242A2-L244 WeakPolarHBondContact CB-O 3.44Å; A2-L244 PolarHBondContact N-O 3.47Å; A2-L244 VanDerWaalsContact N-O 3.11Å; F207-L244 HydrophobicContact CZ-CD1 4.17Å; Y229-L244 HydrophobicContact CD2-CD1 4.37Å; Y229-L244 HydrophobicContact CE1-CD1 3.93Å; Y229-L244 HydrophobicContact CE1-CD2 4.48Å; Y229-L244 HydrophobicContact CE2-CD1 3.8Å; Y229-L244 WeakPolarHBondContact OH-CD2 3.49Å; I240-L244 HydrophobicContact CG2-CD1 3.78Å; I240-L244 HydrophobicContact CG2-CG 4.26Å; I240-L244 WeakPolarHBondContact O-CB 3.07Å; I240-L244 VanDerWaalsContact O-CG 3.29Å; I240-L244 WeakPolarHBondContact O-CG 3.36Å; I240-L244 PolarHBondContact O-N 2.99Å; C241-L244 PolarHBondContact O-N 2.9Å; E242-L244 VanDerWaalsContact C-N 3.27Å; E242-L244 PolarHBondContact O-N 2.6Å
245F93.3Very high95.1Very high23 Ų2361.6 Ų61.610%0.10130%0.304CS..Hα-helixtrans-123.412.2-165.7-48.2-67.4000113.9A2 C9 L35 K38 I39 Y205 F207 C241A2-F245 HydrophobicContact CB-CD1 3.63Å; A2-F245 HydrophobicContact CB-CE1 3.5Å; C9-F245 WeakPolarHBondContact SG-CE2 3.26Å; C9-F245 WeakPolarHBondContact SG-CZ 3.34Å; L35-F245 HydrophobicContact CD1-CB 3.86Å; L35-F245 HydrophobicContact CD1-CD2 3.75Å; L35-F245 HydrophobicContact CD1-CG 4.01Å; K38-F245 VanDerWaalsContact CD-O 3.29Å; K38-F245 WeakPolarHBondContact CD-O 3.29Å; K38-F245 PolarHBondContact NZ-O 2.68Å; I39-F245 HydrophobicContact CD1-CD1 4.15Å; I39-F245 HydrophobicContact CD1-CE1 3.56Å; I39-F245 HydrophobicContact CD1-CZ 3.93Å; Y205-F245 HydrophobicContact CD1-CZ 4.48Å; Y205-F245 HydrophobicContact CD2-CE1 4.06Å; Y205-F245 AromaticContact CD2-CZ 3.66Å; Y205-F245 HydrophobicContact CD2-CZ 3.66Å; Y205-F245 AromaticContact CE2-CE1 3.72Å; Y205-F245 HydrophobicContact CE2-CE1 3.72Å; Y205-F245 AromaticContact CE2-CZ 3.77Å; Y205-F245 HydrophobicContact CE2-CZ 3.77Å; Y205-F245 HydrophobicContact CG-CZ 4.02Å; F207-F245 HydrophobicContact CZ-CE2 4.3Å; C241-F245 HydrophobicContact CB-CD2 4.18Å; C241-F245 WeakPolarHBondContact O-CB 3.36Å; C241-F245 VanDerWaalsContact O-CD2 3.24Å; C241-F245 WeakPolarHBondContact O-CD2 3.36Å; C241-F245 PolarHBondContact O-N 3.23Å
246S75.1Confident94.9Very high137 Ų13755 Ų5596%0.95827%0.274SS*.  trans-55.80167.4-74.60000111.4K38 E242K38-S246 PolarHBondContact NZ-OXT 3Å; E242-S246 WeakPolarHBondContact O-CB 3.34Å; E242-S246 PolarHBondContact O-N 3.32Å; E242-S246 PolarHBondContact O-OG 2.94Å

Retrieved 246 of 246 residues in 51.8 ms (Link to these results)

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