A0A087WY59_HUMAN Loading...

tRNA pseudouridine synthase

AlphaFold DB , UniProt , Accession A0A087WY59, Species HUMAN (Homo sapiens, Human), Gene PUS3, Length 273 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M92.9Very high97.8Very high90 Ų9053.2 Ų53.244%0.44327%0.273SS..  0-490-71.4-171.5-62.700111.5Y3 A4 A5 V38M1-Y3 PolarHBondContact O-N 3.39Å; M1-A4 WeakPolarHBondContact O-CA 3.4Å; M1-A4 WeakPolarHBondContact O-CB 3.43Å; M1-A4 PolarHBondContact O-N 3.37Å; M1-A5 PolarHBondContact O-N 2.98Å; M1-V38 HydrophobicContact CB-CB 4.42Å; M1-V38 HydrophobicContact CB-CG1 4.21Å; M1-V38 HydrophobicContact CB-CG2 4.44Å; M1-V38 HydrophobicContact CE-CG1 4.26Å
2D96.7Very high97.9Very high68 Ų6853.7 Ų53.736%0.36427%0.273SS..Hα-helixtrans-54-49-179.4-174.352.9000113.9A4 A5 Q6 Q37 V38D2-A4 PolarHBondContact O-N 3.48Å; D2-A4 VanDerWaalsContact O-N 3.1Å; D2-A5 WeakPolarHBondContact O-CB 3.43Å; D2-A5 PolarHBondContact O-N 3.41Å; D2-Q6 PolarHBondContact O-N 2.85Å; D2-Q37 WeakPolarHBondContact OD1-CA 3.28Å; D2-V38 HydrophobicContact CB-CB 4.28Å; D2-V38 PolarHBondContact OD1-N 2.94Å
3Y97.8Very high97.9Very high149 Ų14952 Ų5258%0.58427%0.265SS*.Hα-helixtrans-51.1-37.1172.2174.9-102.6000114.1M1 P88M1-Y3 PolarHBondContact O-N 3.39Å; Y3-P88 HydrophobicContact CD1-CB 3.93Å; Y3-P88 HydrophobicContact CD1-CG 4.01Å; Y3-P88 HydrophobicContact CE1-CB 3.92Å; Y3-P88 HydrophobicContact CE1-CG 4.27Å
4A98.3Very high97.9Very high1 Ų148.3 Ų48.31%0.00825%0.246CC..Hα-helixtrans-73.3-37.7177.100000111.9M1 D2 Q6 K7 L78 I81 P88 I91M1-A4 WeakPolarHBondContact O-CA 3.4Å; M1-A4 WeakPolarHBondContact O-CB 3.43Å; M1-A4 PolarHBondContact O-N 3.37Å; D2-A4 PolarHBondContact O-N 3.48Å; D2-A4 VanDerWaalsContact O-N 3.1Å; A4-Q6 VanDerWaalsContact C-N 3.27Å; A4-Q6 PolarHBondContact O-N 2.67Å; A4-K7 VanDerWaalsContact O-CB 3.32Å; A4-K7 WeakPolarHBondContact O-CB 3.23Å; A4-K7 PolarHBondContact O-N 2.91Å; A4-K7 VanDerWaalsContact O-N 3.1Å; A4-L78 HydrophobicContact CB-CD2 3.91Å; A4-I81 HydrophobicContact CB-CD1 3.75Å; A4-I81 HydrophobicContact CB-CG2 4.19Å; A4-P88 HydrophobicContact CB-CB 3.96Å; A4-P88 HydrophobicContact CB-CG 4.38Å; A4-I91 HydrophobicContact CB-CD1 3.92Å; A4-I91 WeakPolarHBondContact O-CD1 3.44Å
5A98.5Very high97.9Very high0 Ų046.9 Ų46.90%024%0.237CC..Hα-helixtrans-60.6-38.1177.700000112.1M1 D2 K7 Y8 A36 V38 F59 L78M1-A5 PolarHBondContact O-N 2.98Å; D2-A5 WeakPolarHBondContact O-CB 3.43Å; D2-A5 PolarHBondContact O-N 3.41Å; A5-K7 PolarHBondContact O-N 3.46Å; A5-K7 VanDerWaalsContact O-N 3.14Å; A5-Y8 WeakPolarHBondContact O-CB 3.47Å; A5-Y8 WeakPolarHBondContact O-CD2 3.34Å; A5-Y8 PolarHBondContact O-N 2.7Å; A5-A36 HydrophobicContact CB-CB 4.49Å; A5-A36 VanDerWaalsContact O-CB 3.28Å; A5-A36 WeakPolarHBondContact O-CB 3.3Å; A5-V38 HydrophobicContact CB-CG2 3.89Å; A5-F59 HydrophobicContact CB-CD2 4.27Å; A5-F59 HydrophobicContact CB-CE2 3.94Å; A5-L78 HydrophobicContact CB-CD1 4.26Å; A5-L78 HydrophobicContact CB-CD2 4.2Å
6Q98.5Very high97.9Very high88 Ų8844 Ų4441%0.41122%0.222SC..G310 helixtrans-60-24.3176.8-61.4-60.8-25.600113.3D2 A4 Y8 V9 A36D2-Q6 PolarHBondContact O-N 2.85Å; A4-Q6 VanDerWaalsContact C-N 3.27Å; A4-Q6 PolarHBondContact O-N 2.67Å; Q6-Y8 PolarHBondContact O-N 3.32Å; Q6-V9 WeakPolarHBondContact O-CB 3.42Å; Q6-V9 WeakPolarHBondContact O-CG2 3.46Å; Q6-V9 PolarHBondContact O-N 3.06Å; Q6-V9 VanDerWaalsContact O-N 3.14Å; Q6-A36 PolarHBondContact NE2-O 2.94Å
7K98.6Very high97.9Very high43 Ų4341.4 Ų41.419%0.18721%0.209CC..G310 helixtrans-67.4-17.8176.1-64.6-177.7157.9-71.60113.6A4 A5 V9 P88 I91 D92A4-K7 VanDerWaalsContact O-CB 3.32Å; A4-K7 WeakPolarHBondContact O-CB 3.23Å; A4-K7 PolarHBondContact O-N 2.91Å; A4-K7 VanDerWaalsContact O-N 3.1Å; A5-K7 PolarHBondContact O-N 3.46Å; A5-K7 VanDerWaalsContact O-N 3.14Å; K7-V9 VanDerWaalsContact C-N 3.31Å; K7-P88 HydrophobicContact CD-CB 4.29Å; K7-P88 WeakPolarHBondContact CD-O 3.2Å; K7-I91 HydrophobicContact CB-CB 4.15Å; K7-I91 HydrophobicContact CB-CD1 4.44Å; K7-I91 HydrophobicContact CB-CG2 3.7Å; K7-I91 HydrophobicContact CD-CB 4.39Å; K7-D92 WeakPolarHBondContact CE-OD2 3.48Å; K7-D92 VanDerWaalsContact NZ-CG 3.29Å; K7-D92 IonicContact NZ-OD1 2.91Å; K7-D92 PolarHBondContact NZ-OD1 2.98Å; K7-D92 IonicContact NZ-OD2 3.71Å; K7-D92 PolarHBondContact NZ-OD2 3.16Å
8Y98.8Very high97.9Very high0 Ų039.1 Ų39.10%020%0.197CC..G310 helixtrans-77-17.8174.1-65-52.1000113.5A5 Q6 F14 L17 I33 F59 M74 I77 L78 I91A5-Y8 WeakPolarHBondContact O-CB 3.47Å; A5-Y8 WeakPolarHBondContact O-CD2 3.34Å; A5-Y8 PolarHBondContact O-N 2.7Å; Q6-Y8 PolarHBondContact O-N 3.32Å; Y8-F14 HydrophobicContact CD1-CE1 4.05Å; Y8-L17 HydrophobicContact CD1-CD1 4.17Å; Y8-L17 HydrophobicContact CE1-CD1 3.65Å; Y8-L17 HydrophobicContact CE1-CD2 4.41Å; Y8-I33 VanDerWaalsContact O-CB 3.3Å; Y8-I33 WeakPolarHBondContact O-CB 3.47Å; Y8-I33 WeakPolarHBondContact O-CG1 3.42Å; Y8-F59 HydrophobicContact CD2-CZ 4.36Å; Y8-M74 HydrophobicContact CD1-CE 3.91Å; Y8-M74 HydrophobicContact CD1-CG 4.41Å; Y8-M74 HydrophobicContact CD2-CB 4.42Å; Y8-M74 HydrophobicContact CD2-CE 3.42Å; Y8-M74 VanDerWaalsContact CD2-CE 3.42Å; Y8-M74 HydrophobicContact CE1-CB 4.41Å; Y8-M74 HydrophobicContact CE1-CE 4.45Å; Y8-M74 HydrophobicContact CE1-CG 4.12Å; Y8-M74 HydrophobicContact CE2-CB 3.82Å; Y8-M74 HydrophobicContact CE2-CE 4Å; Y8-M74 HydrophobicContact CE2-CG 4.26Å; Y8-M74 HydrophobicContact CG-CE 3.36Å; Y8-M74 WeakPolarHBondContact OH-CA 3.48Å; Y8-M74 PolarHBondContact OH-O 3.09Å; Y8-I77 WeakPolarHBondContact OH-CB 3.49Å; Y8-L78 HydrophobicContact CE2-CD1 4.25Å; Y8-L78 HydrophobicContact CE2-CD2 4.21Å; Y8-L78 HydrophobicContact CE2-CG 4.11Å; Y8-I91 HydrophobicContact CD1-CG2 3.54Å; Y8-I91 HydrophobicContact CD2-CD1 4.5Å; Y8-I91 HydrophobicContact CE1-CB 4.24Å; Y8-I91 HydrophobicContact CE1-CD1 3.91Å; Y8-I91 HydrophobicContact CE1-CG1 3.85Å; Y8-I91 HydrophobicContact CE1-CG2 3.43Å; Y8-I91 VanDerWaalsContact CE1-CG2 3.43Å; Y8-I91 HydrophobicContact CE2-CD1 3.89Å; Y8-I91 HydrophobicContact CG-CG2 4.4Å
9V98.8Very high97.7Very high51 Ų5143 Ų4331%0.30921%0.213SC..  trans-66.4142-176.1179.50000110.5Q6 K7 H12 I33 A36Q6-V9 WeakPolarHBondContact O-CB 3.42Å; Q6-V9 WeakPolarHBondContact O-CG2 3.46Å; Q6-V9 PolarHBondContact O-N 3.06Å; Q6-V9 VanDerWaalsContact O-N 3.14Å; K7-V9 VanDerWaalsContact C-N 3.31Å; V9-H12 PolarHBondContact O-NE2 3.1Å; V9-I33 HydrophobicContact CG2-CG2 4.46Å; V9-A36 HydrophobicContact CG2-CB 4Å
10G98.6Very high97.4Very high26 Ų2641.8 Ų41.827%0.26821%0.206SC..EExtended strand (participates in β ladder)trans107.9-170.7-176.300000112.8T32 I33G10-T32 WeakPolarHBondContact O-CA 3.4Å; G10-I33 PolarHBondContact N-O 2.94Å; G10-I33 PolarHBondContact O-N 2.94Å
11T98.7Very high97.1Very high69 Ų6941.8 Ų41.842%0.42321%0.207SC..EExtended strand (participates in β ladder)trans-104.9111.2-178.1-55.30000110Q30 R31 T32T11-Q30 HydrophobicContact CG2-CG 3.51Å; T11-R31 WeakPolarHBondContact CA-O 3.46Å; T11-T32 WeakPolarHBondContact OG1-CG2 3.16Å; T11-T32 PolarHBondContact OG1-OG1 3.22Å
12H98.4Very high96.9Very high59 Ų5937.6 Ų37.627%0.27319%0.187SC..EExtended strand (participates in β ladder)trans-136.7163.6-174.4-52.7-77.9000111.6V9 F14 Q30 R31 L95V9-H12 PolarHBondContact O-NE2 3.1Å; H12-F14 HydrophobicContact CB-CD2 4.19Å; H12-F14 HydrophobicContact CB-CE2 3.73Å; H12-F14 HydrophobicContact CB-CZ 4.22Å; H12-F14 VanDerWaalsContact O-CD2 3.23Å; H12-F14 WeakPolarHBondContact O-CD2 3.04Å; H12-Q30 CarbonylContact O-C 3.54Å; H12-Q30 VanDerWaalsContact O-CA 3.24Å; H12-Q30 WeakPolarHBondContact O-CA 3.42Å; H12-R31 PolarHBondContact N-O 2.96Å; H12-R31 PolarHBondContact O-N 3.4Å; H12-L95 HydrophobicContact CB-CD1 4.31Å; H12-L95 HydrophobicContact CB-CD2 3.79Å; H12-L95 HydrophobicContact CB-CG 4.43Å
13D98.2Very high96.5Very high32 Ų3235.8 Ų35.817%0.17118%0.182CC..EExtended strand (participates in β ladder)trans-85.7113.9168.2-174.7-40.6000110.2R15 F29 I97D13-R15 VanDerWaalsContact CG-NE 3.32Å; D13-R15 WeakPolarHBondContact OD1-CB 3.26Å; D13-R15 WeakPolarHBondContact OD1-CG 3.4Å; D13-R15 PolarHBondContact OD1-N 3.38Å; D13-R15 IonicContact OD1-NE 3.52Å; D13-R15 PolarHBondContact OD1-NE 3.19Å; D13-R15 VanDerWaalsContact OD1-NE 3.09Å; D13-R15 IonicContact OD2-CZ 2.7Å; D13-R15 IonicContact OD2-NE 2.67Å; D13-R15 PolarHBondContact OD2-NE 3.4Å; D13-R15 IonicContact OD2-NH2 3.06Å; D13-R15 PolarHBondContact OD2-NH2 3.26Å; D13-F29 WeakPolarHBondContact OD1-CB 3.13Å; D13-I97 HydrophobicContact CB-CD1 4.43Å; D13-I97 HydrophobicContact CB-CG1 3.65Å
14F98.4Very high96Very high0 Ų034.6 Ų34.60%019%0.185CC..  trans-96.520.4-175.3-75.3-94.2000113.3Y8 H12 N16 L17 C18 F29 R31 I33 L67 Q70 M74 L95Y8-F14 HydrophobicContact CD1-CE1 4.05Å; H12-F14 HydrophobicContact CB-CD2 4.19Å; H12-F14 HydrophobicContact CB-CE2 3.73Å; H12-F14 HydrophobicContact CB-CZ 4.22Å; H12-F14 VanDerWaalsContact O-CD2 3.23Å; H12-F14 WeakPolarHBondContact O-CD2 3.04Å; F14-N16 PolarHBondContact O-N 3.34Å; F14-N16 VanDerWaalsContact O-N 3.16Å; F14-L17 HydrophobicContact CB-CB 4.38Å; F14-L17 HydrophobicContact CD1-CB 3.99Å; F14-L17 HydrophobicContact CD1-CD1 3.69Å; F14-L17 HydrophobicContact CE1-CD1 4.07Å; F14-L17 CarbonylContact O-C 3.53Å; F14-L17 VanDerWaalsContact O-C 3.3Å; F14-L17 WeakPolarHBondContact O-CA 3.21Å; F14-L17 PolarHBondContact O-N 2.98Å; F14-C18 PolarHBondContact O-N 2.83Å; F14-F29 PolarHBondContact N-O 3.27Å; F14-R31 HydrophobicContact CD2-CB 3.88Å; F14-R31 HydrophobicContact CE2-CB 4.2Å; F14-R31 WeakPolarHBondContact CE2-O 3.31Å; F14-I33 HydrophobicContact CE1-CG1 4.34Å; F14-I33 HydrophobicContact CE2-CG1 4.06Å; F14-I33 HydrophobicContact CZ-CD1 4.44Å; F14-I33 HydrophobicContact CZ-CG1 3.57Å; F14-L67 HydrophobicContact CB-CD1 3.74Å; F14-Q70 HydrophobicContact CB-CG 4.36Å; F14-Q70 HydrophobicContact CD1-CG 4.27Å; F14-Q70 VanDerWaalsContact CD1-NE2 3.31Å; F14-Q70 HydrophobicContact CG-CG 4.47Å; F14-Q70 VanDerWaalsContact CG-NE2 3.26Å; F14-M74 HydrophobicContact CE1-CE 4.34Å; F14-M74 HydrophobicContact CE1-SD 4.39Å; F14-L95 HydrophobicContact CD1-CD2 3.87Å; F14-L95 HydrophobicContact CE1-CD2 3.82Å; F14-L95 HydrophobicContact CG-CD2 4.26Å; F14-L95 HydrophobicContact CZ-CD2 4.15Å
15R97.1Very high95.6Very high28 Ų2836.4 Ų36.411%0.10620%0.204CC..G310 helixtrans-58.7-30.3-178.171.8-179.267.5-175.30.5113.9D13 L17 M20 F29 I97 E216D13-R15 VanDerWaalsContact CG-NE 3.32Å; D13-R15 WeakPolarHBondContact OD1-CB 3.26Å; D13-R15 WeakPolarHBondContact OD1-CG 3.4Å; D13-R15 PolarHBondContact OD1-N 3.38Å; D13-R15 IonicContact OD1-NE 3.52Å; D13-R15 PolarHBondContact OD1-NE 3.19Å; D13-R15 VanDerWaalsContact OD1-NE 3.09Å; D13-R15 IonicContact OD2-CZ 2.7Å; D13-R15 IonicContact OD2-NE 2.67Å; D13-R15 PolarHBondContact OD2-NE 3.4Å; D13-R15 IonicContact OD2-NH2 3.06Å; D13-R15 PolarHBondContact OD2-NH2 3.26Å; R15-L17 VanDerWaalsContact C-N 3.27Å; R15-M20 HydrophobicContact CB-CE 3.81Å; R15-M20 HydrophobicContact CG-CE 4.18Å; R15-F29 HydrophobicContact CB-CB 3.84Å; R15-F29 HydrophobicContact CB-CD1 3.86Å; R15-F29 HydrophobicContact CB-CD2 4.25Å; R15-F29 HydrophobicContact CB-CG 3.68Å; R15-I97 HydrophobicContact CG-CD1 3.6Å; R15-I97 HydrophobicContact CG-CG1 4.32Å; R15-E216 IonicContact NH1-OE1 3.21Å
16N97.9Very high95.2Very high0 Ų038.4 Ų38.40%022%0.216CC..G310 helixtrans-81.4-8.7176-68.3-23.1000113F14 L94 I97 N100 K103 Y106F14-N16 PolarHBondContact O-N 3.34Å; F14-N16 VanDerWaalsContact O-N 3.16Å; N16-L94 HydrophobicContact CB-CB 4.35Å; N16-L94 HydrophobicContact CB-CD2 4.18Å; N16-L94 VanDerWaalsContact CB-O 3.31Å; N16-L94 WeakPolarHBondContact CB-O 3.39Å; N16-L94 PolarHBondContact ND2-O 2.79Å; N16-I97 WeakPolarHBondContact ND2-CD1 3.42Å; N16-N100 PolarHBondContact ND2-O 3.09Å; N16-K103 HydrophobicContact CB-CB 4.46Å; N16-K103 VanDerWaalsContact O-CE 3.28Å; N16-K103 WeakPolarHBondContact O-CE 3.48Å; N16-K103 WeakPolarHBondContact O-CG 2.99Å; N16-K103 WeakPolarHBondContact OD1-CA 3.21Å; N16-K103 WeakPolarHBondContact OD1-CB 3.24Å; N16-K103 PolarHBondContact OD1-N 2.93Å; N16-Y106 WeakPolarHBondContact O-CE1 3.15Å; N16-Y106 PolarHBondContact O-OH 2.94Å
17L98.2Very high94.9Very high0 Ų037 Ų370%021%0.211CC..G310 helixtrans-121.324.1-176-70.2166.6000112Y8 F14 R15 Q70 C73 I77 L94 L95 Y106Y8-L17 HydrophobicContact CD1-CD1 4.17Å; Y8-L17 HydrophobicContact CE1-CD1 3.65Å; Y8-L17 HydrophobicContact CE1-CD2 4.41Å; F14-L17 HydrophobicContact CB-CB 4.38Å; F14-L17 HydrophobicContact CD1-CB 3.99Å; F14-L17 HydrophobicContact CD1-CD1 3.69Å; F14-L17 HydrophobicContact CE1-CD1 4.07Å; F14-L17 CarbonylContact O-C 3.53Å; F14-L17 VanDerWaalsContact O-C 3.3Å; F14-L17 WeakPolarHBondContact O-CA 3.21Å; F14-L17 PolarHBondContact O-N 2.98Å; R15-L17 VanDerWaalsContact C-N 3.27Å; L17-Q70 VanDerWaalsContact O-CA 3.28Å; L17-Q70 WeakPolarHBondContact O-CA 3.43Å; L17-C73 VanDerWaalsContact C-CB 3.46Å; L17-C73 WeakPolarHBondContact O-CB 3.19Å; L17-I77 HydrophobicContact CD2-CG1 3.64Å; L17-L94 HydrophobicContact CD2-CD1 3.98Å; L17-L94 HydrophobicContact CG-CB 4.44Å; L17-L95 HydrophobicContact CD1-CD2 3.62Å; L17-L95 HydrophobicContact CD1-CG 4.23Å; L17-Y106 WeakPolarHBondContact CA-OH 3.46Å
18C97.3Very high94.7Very high0 Ų039.5 Ų39.50%023%0.227CC..SBendtrans-146.8177.7175.677.60000110.9F14 L67 Y68 Q70 K103F14-C18 PolarHBondContact O-N 2.83Å; C18-L67 HydrophobicContact CB-CB 3.72Å; C18-L67 HydrophobicContact CB-CD1 4.17Å; C18-Y68 WeakPolarHBondContact CB-O 3.41Å; C18-Q70 HydrophobicContact CB-CB 4.35Å; C18-K103 PolarHBondContact O-NZ 3.28Å
19K94.1Very high94.6Very high113 Ų11339.6 Ų39.649%0.49123%0.227SC..  trans-96112.3163.7-176.8172.6175.8-175.40107.7D21 Y68 H69K19-D21 PolarHBondContact O-N 2.86Å; K19-Y68 HydrophobicContact CB-CD1 3.97Å; K19-Y68 HydrophobicContact CB-CE1 4.47Å; K19-Y68 HydrophobicContact CD-CD1 4.08Å; K19-Y68 HydrophobicContact CD-CE1 3.76Å; K19-Y68 HydrophobicContact CG-CD1 4.16Å; K19-Y68 HydrophobicContact CG-CE1 4.34Å; K19-Y68 PolarHBondContact N-O 3.15Å; K19-H69 HydrophobicContact CB-CB 4.38Å
20M92.5Very high94.6Very high18 Ų1842.2 Ų42.29%0.08924%0.236CC..  trans-61.7128.5179.3-53.3165.5168.600110.2R15 V22 F29 L215R15-M20 HydrophobicContact CB-CE 3.81Å; R15-M20 HydrophobicContact CG-CE 4.18Å; M20-V22 HydrophobicContact CB-CG2 4.16Å; M20-F29 HydrophobicContact CB-CE1 3.87Å; M20-F29 HydrophobicContact CB-CZ 3.74Å; M20-F29 HydrophobicContact CG-CE1 3.75Å; M20-F29 HydrophobicContact CG-CZ 3.79Å; M20-L215 HydrophobicContact CE-CB 4.14Å; M20-L215 HydrophobicContact SD-CD1 4.43Å
21D90.8Very high94.6Very high42 Ų4243.5 Ų43.523%0.22523%0.232CC..  trans-11549.3-176.3-163.718000111.3K19 A23 N24 V26 Y68K19-D21 PolarHBondContact O-N 2.86Å; D21-A23 PolarHBondContact O-N 3.04Å; D21-N24 PolarHBondContact O-N 3.09Å; D21-N24 PolarHBondContact OD1-ND2 3.18Å; D21-N24 PolarHBondContact OD2-ND2 3.17Å; D21-V26 HydrophobicContact CB-CB 4.47Å; D21-V26 HydrophobicContact CB-CG2 4.29Å; D21-V26 PolarHBondContact O-N 3.44Å; D21-Y68 HydrophobicContact CB-CD1 4.5Å
22V89.8Confident94.6Very high2 Ų241.4 Ų41.41%0.01222%0.22CC..G310 helixtrans-61.4-28.1-177-177.80000111.6M20 N24 G25 F29 L215 R218 I219 F222 I228M20-V22 HydrophobicContact CB-CG2 4.16Å; V22-N24 PolarHBondContact O-N 3.09Å; V22-G25 PolarHBondContact O-N 2.96Å; V22-F29 HydrophobicContact CG2-CZ 4.49Å; V22-L215 HydrophobicContact CG2-CD1 3.72Å; V22-R218 HydrophobicContact CG2-CB 4.18Å; V22-I219 HydrophobicContact CG1-CB 4.47Å; V22-I219 HydrophobicContact CG1-CG1 3.82Å; V22-F222 HydrophobicContact CB-CD2 3.96Å; V22-F222 HydrophobicContact CB-CE2 4.25Å; V22-F222 HydrophobicContact CG1-CD2 3.79Å; V22-I228 HydrophobicContact CG1-CD1 3.72Å; V22-I228 WeakPolarHBondContact O-CG2 3.3Å
23A87.6Confident94.6Very high31 Ų3138.7 Ų38.726%0.25621%0.207SC..G310 helixtrans-61.1-27.6176.300000112.8D21 F222D21-A23 PolarHBondContact O-N 3.04Å; A23-F222 HydrophobicContact CB-CD1 4.23Å; A23-F222 HydrophobicContact CB-CE1 3.73Å; A23-F222 HydrophobicContact CB-CE2 4.19Å; A23-F222 HydrophobicContact CB-CZ 3.71Å
24N88Confident94.6Very high123 Ų12342 Ų4266%0.65822%0.224SC*.G310 helixtrans-98.920.7177.4-66.3-27.8000112.1D21 V22 V26D21-N24 PolarHBondContact O-N 3.09Å; D21-N24 PolarHBondContact OD1-ND2 3.18Å; D21-N24 PolarHBondContact OD2-ND2 3.17Å; V22-N24 PolarHBondContact O-N 3.09Å; N24-V26 VanDerWaalsContact C-N 3.32Å; N24-V26 PolarHBondContact O-N 3.12Å
25G87.9Confident94.6Very high40 Ų4044 Ų4441%0.41224%0.238SC..THydrogen-bonded Turntrans80.64.3176.400000115.3V22 I27V22-G25 PolarHBondContact O-N 2.96Å; G25-I27 PolarHBondContact O-N 3.12Å; G25-I27 VanDerWaalsContact O-N 3.09Å
26V91.7Very high94.7Very high42 Ų4242.6 Ų42.626%0.25523%0.233SC..  trans-75.8103.6179.8-1750000110.5D21 N24 F29 L67D21-V26 HydrophobicContact CB-CB 4.47Å; D21-V26 HydrophobicContact CB-CG2 4.29Å; D21-V26 PolarHBondContact O-N 3.44Å; N24-V26 VanDerWaalsContact C-N 3.32Å; N24-V26 PolarHBondContact O-N 3.12Å; V26-F29 HydrophobicContact CG1-CE1 4.3Å; V26-F29 HydrophobicContact CG1-CZ 4.19Å; V26-F29 WeakPolarHBondContact O-CZ 3.29Å; V26-L67 HydrophobicContact CG1-CD2 3.98Å
27I92.4Very high94.7Very high58 Ų5845.7 Ų45.730%0.29725%0.248SC..  trans-113.1-18.3176.761.1171.9000113.6G25 F29 I219 P231G25-I27 PolarHBondContact O-N 3.12Å; G25-I27 VanDerWaalsContact O-N 3.09Å; I27-F29 WeakPolarHBondContact O-CD2 3.35Å; I27-I219 HydrophobicContact CB-CD1 4.34Å; I27-I219 HydrophobicContact CG2-CD1 3.91Å; I27-I219 HydrophobicContact CG2-CG1 4.07Å; I27-P231 HydrophobicContact CD1-CB 3.89Å; I27-P231 HydrophobicContact CD1-CG 3.97Å
28N94.5Very high94.6Very high96 Ų9646.7 Ų46.751%0.51325%0.254SS..  trans-99.5115.9176-175-0.4000111.4Q30 R31N28-Q30 VanDerWaalsContact OD1-CB 3.28Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.49Å; N28-Q30 PolarHBondContact OD1-N 2.97Å; N28-R31 PolarHBondContact O-NH1 3.5Å
29F96.8Very high94.5Very high1 Ų150.3 Ų50.30%0.00427%0.271CS..  trans-104.34.2-178.3-66.8-88.1000113.6D13 F14 R15 M20 V22 V26 I27 R31 L67 L215D13-F29 WeakPolarHBondContact OD1-CB 3.13Å; F14-F29 PolarHBondContact N-O 3.27Å; R15-F29 HydrophobicContact CB-CB 3.84Å; R15-F29 HydrophobicContact CB-CD1 3.86Å; R15-F29 HydrophobicContact CB-CD2 4.25Å; R15-F29 HydrophobicContact CB-CG 3.68Å; M20-F29 HydrophobicContact CB-CE1 3.87Å; M20-F29 HydrophobicContact CB-CZ 3.74Å; M20-F29 HydrophobicContact CG-CE1 3.75Å; M20-F29 HydrophobicContact CG-CZ 3.79Å; V22-F29 HydrophobicContact CG2-CZ 4.49Å; V26-F29 HydrophobicContact CG1-CE1 4.3Å; V26-F29 HydrophobicContact CG1-CZ 4.19Å; V26-F29 WeakPolarHBondContact O-CZ 3.29Å; I27-F29 WeakPolarHBondContact O-CD2 3.35Å; F29-R31 PolarHBondContact O-N 3.43Å; F29-L67 HydrophobicContact CB-CD1 4.23Å; F29-L67 HydrophobicContact CD1-CD1 3.94Å; F29-L67 HydrophobicContact CD1-CD2 3.87Å; F29-L67 HydrophobicContact CE1-CD2 4.27Å; F29-L67 WeakPolarHBondContact O-CD1 3.1Å; F29-L215 HydrophobicContact CD2-CD1 4.29Å; F29-L215 HydrophobicContact CD2-CD2 3.76Å; F29-L215 HydrophobicContact CE2-CD1 3.43Å; F29-L215 VanDerWaalsContact CE2-CD1 3.43Å; F29-L215 HydrophobicContact CE2-CD2 3.74Å; F29-L215 HydrophobicContact CE2-CG 4.23Å; F29-L215 HydrophobicContact CZ-CD1 4.06Å
30Q98.2Very high94.3Very high107 Ų10747.9 Ų47.950%0.526%0.262SS..EExtended strand (participates in β ladder)trans-71.6127.9175-165.8175.916.800110.1T11 H12 N28T11-Q30 HydrophobicContact CG2-CG 3.51Å; H12-Q30 CarbonylContact O-C 3.54Å; H12-Q30 VanDerWaalsContact O-CA 3.24Å; H12-Q30 WeakPolarHBondContact O-CA 3.42Å; N28-Q30 VanDerWaalsContact OD1-CB 3.28Å; N28-Q30 WeakPolarHBondContact OD1-CB 3.49Å; N28-Q30 PolarHBondContact OD1-N 2.97Å
31R98.3Very high94Very high52 Ų5250.1 Ų50.120%0.19628%0.277CS..EExtended strand (participates in β ladder)trans-137.6152.3174.4-66.4-62.4-177.9-82.24110T11 H12 F14 N28 F29 A65 L67T11-R31 WeakPolarHBondContact CA-O 3.46Å; H12-R31 PolarHBondContact N-O 2.96Å; H12-R31 PolarHBondContact O-N 3.4Å; F14-R31 HydrophobicContact CD2-CB 3.88Å; F14-R31 HydrophobicContact CE2-CB 4.2Å; F14-R31 WeakPolarHBondContact CE2-O 3.31Å; N28-R31 PolarHBondContact O-NH1 3.5Å; F29-R31 PolarHBondContact O-N 3.43Å; R31-A65 WeakPolarHBondContact CD-O 3.32Å; R31-L67 HydrophobicContact CG-CD1 3.93Å; R31-L67 HydrophobicContact CG-CG 3.88Å; R31-L67 VanDerWaalsContact CZ-CD2 3.45Å
32T98.6Very high93Very high26 Ų2651.4 Ų51.416%0.1630%0.3CS..EExtended strand (participates in β ladder)trans-107.9115.9177.7-56.20000109.6G10 T11 L34 G63 Q64G10-T32 WeakPolarHBondContact O-CA 3.4Å; T11-T32 WeakPolarHBondContact OG1-CG2 3.16Å; T11-T32 PolarHBondContact OG1-OG1 3.22Å; T32-L34 HydrophobicContact CG2-CD2 3.97Å; T32-G63 VanDerWaalsContact O-CA 3.28Å; T32-G63 WeakPolarHBondContact O-CA 3.4Å; T32-Q64 HydrophobicContact CG2-CG 4.49Å; T32-Q64 PolarHBondContact O-N 2.91Å; T32-Q64 PolarHBondContact OG1-OE1 3.05Å
33I98.8Very high91.5Very high2 Ų257.5 Ų57.51%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-96.2122.6170.9-57-57.6000107.9Y8 V9 G10 F14 S35 A36 V61 F66 M74Y8-I33 VanDerWaalsContact O-CB 3.3Å; Y8-I33 WeakPolarHBondContact O-CB 3.47Å; Y8-I33 WeakPolarHBondContact O-CG1 3.42Å; V9-I33 HydrophobicContact CG2-CG2 4.46Å; G10-I33 PolarHBondContact N-O 2.94Å; G10-I33 PolarHBondContact O-N 2.94Å; F14-I33 HydrophobicContact CE1-CG1 4.34Å; F14-I33 HydrophobicContact CE2-CG1 4.06Å; F14-I33 HydrophobicContact CZ-CD1 4.44Å; F14-I33 HydrophobicContact CZ-CG1 3.57Å; I33-S35 WeakPolarHBondContact CG2-O 3.44Å; I33-A36 HydrophobicContact CG2-CB 4.08Å; I33-V61 HydrophobicContact CD1-CG2 4.11Å; I33-V61 HydrophobicContact CG2-CG2 3.81Å; I33-F66 HydrophobicContact CD1-CD1 4.16Å; I33-F66 HydrophobicContact CD1-CE1 3.59Å; I33-F66 HydrophobicContact CD1-CZ 4.45Å; I33-M74 HydrophobicContact CD1-CE 4.47Å; I33-M74 HydrophobicContact CG1-CE 4.49Å
34L98.4Very high89.7Confident100 Ų10059.8 Ų59.852%0.52434%0.342SS..EExtended strand (participates in β ladder)trans-86.7-40.3-177.6-58.3177.6000111.4T32 T62T32-L34 HydrophobicContact CG2-CD2 3.97Å; L34-T62 HydrophobicContact CB-CG2 4.39Å; L34-T62 HydrophobicContact CD1-CG2 4.27Å; L34-T62 PolarHBondContact N-O 2.91Å
35S98.5Very high87.5Confident42 Ų4260.8 Ų60.829%0.29436%0.356SS..EExtended strand (participates in β ladder)trans-148.9149.7174.8680000110.8I33 V61 T62I33-S35 WeakPolarHBondContact CG2-O 3.44Å; S35-V61 WeakPolarHBondContact O-CA 3.37Å; S35-T62 PolarHBondContact N-O 3.43Å; S35-T62 VanDerWaalsContact N-O 3.16Å; S35-T62 PolarHBondContact O-N 2.87Å; S35-T62 VanDerWaalsContact OG-CB 3.31Å; S35-T62 WeakPolarHBondContact OG-CB 3.44Å; S35-T62 PolarHBondContact OG-OG1 2.67Å
36A98.6Very high85.5Confident0 Ų062.6 Ų62.60%037%0.374CS..EExtended strand (participates in β ladder)trans-153.1114.5177.200000109.6A5 Q6 V9 I33 F59 E60 V61A5-A36 HydrophobicContact CB-CB 4.49Å; A5-A36 VanDerWaalsContact O-CB 3.28Å; A5-A36 WeakPolarHBondContact O-CB 3.3Å; Q6-A36 PolarHBondContact NE2-O 2.94Å; V9-A36 HydrophobicContact CG2-CB 4Å; I33-A36 HydrophobicContact CG2-CB 4.08Å; A36-F59 HydrophobicContact CB-CE2 4.07Å; A36-F59 HydrophobicContact CB-CZ 4.48Å; A36-E60 CarbonylContact C-O 3.6Å; A36-E60 WeakPolarHBondContact CA-O 3.46Å; A36-V61 HydrophobicContact CB-CG2 4.33Å
37Q97.8Very high83.4Confident65 Ų6568.2 Ų68.230%0.30440%0.398SS..EExtended strand (participates in β ladder)trans-139.1150.1-174.661.5-179.3-2.600112.5D2 F59 E60D2-Q37 WeakPolarHBondContact OD1-CA 3.28Å; Q37-F59 CarbonylContact O-C 3.56Å; Q37-F59 WeakPolarHBondContact O-CA 3.48Å; Q37-F59 WeakPolarHBondContact O-CD2 3.37Å; Q37-E60 HydrophobicContact CG-CB 3.96Å; Q37-E60 PolarHBondContact N-O 3.09Å; Q37-E60 PolarHBondContact NE2-OE1 3.24Å; Q37-E60 PolarHBondContact O-N 3.14Å
38V97.1Very high81.2Confident21 Ų2168.3 Ų68.313%0.12741%0.413CS..EExtended strand (participates in β ladder)trans-118.5114.8172.7179.60000109.6M1 D2 A5 C57 Q58 F59 L78M1-V38 HydrophobicContact CB-CB 4.42Å; M1-V38 HydrophobicContact CB-CG1 4.21Å; M1-V38 HydrophobicContact CB-CG2 4.44Å; M1-V38 HydrophobicContact CE-CG1 4.26Å; D2-V38 HydrophobicContact CB-CB 4.28Å; D2-V38 PolarHBondContact OD1-N 2.94Å; A5-V38 HydrophobicContact CB-CG2 3.89Å; V38-C57 HydrophobicContact CG1-CB 4.06Å; V38-Q58 CarbonylContact C-O 3.6Å; V38-Q58 VanDerWaalsContact CA-O 3.31Å; V38-Q58 WeakPolarHBondContact CA-O 3.28Å; V38-F59 HydrophobicContact CG2-CB 4.2Å; V38-F59 HydrophobicContact CG2-CD2 3.82Å; V38-F59 HydrophobicContact CG2-CG 4.39Å; V38-L78 HydrophobicContact CG2-CD1 4.03Å
39Q93.9Very high78.9Confident76 Ų7675.7 Ų75.736%0.35543%0.434SS..EExtended strand (participates in β ladder)trans-122.3156.6-176.865.5-169.926.900112C57 Q58Q39-C57 CarbonylContact O-C 3.56Å; Q39-C57 VanDerWaalsContact O-CA 3.22Å; Q39-C57 WeakPolarHBondContact O-CA 3.49Å; Q39-Q58 HydrophobicContact CG-CB 4.15Å; Q39-Q58 PolarHBondContact N-O 3.1Å; Q39-Q58 PolarHBondContact O-N 2.89Å
40L91.1Very high76.5Confident61 Ų6185.8 Ų85.832%0.31947%0.472SS..EExtended strand (participates in β ladder)trans-79.3134.9174.4-66.6165.7000109.5Q43 Q55 C57L40-Q43 HydrophobicContact CB-CG 4Å; L40-Q55 HydrophobicContact CD2-CG 3.64Å; L40-C57 WeakPolarHBondContact CD2-SG 3.23Å
41V86.1Confident74.4Confident65 Ų6588.8 Ų88.839%0.39449%0.486SS..THydrogen-bonded Turntrans-80.6132.7179.6-179.40000109.8Q55 L56 Q58V41-Q55 PolarHBondContact O-NE2 3.14Å; V41-L56 HydrophobicContact CB-CB 4.2Å; V41-L56 HydrophobicContact CG2-CB 4.15Å; V41-L56 PolarHBondContact N-O 2.89Å; V41-Q58 HydrophobicContact CG2-CB 3.78Å
42G69.9Low72.9Confident69 Ų6991 Ų9171%0.71150%0.499SS*.THydrogen-bonded Turntrans83.717.717000000116.1S44G42-S44 PolarHBondContact O-N 3.28Å
43Q57.5Low71.8Confident131 Ų13194.1 Ų94.161%0.61252%0.52SS*.  trans-80.699.3172.3-65.4-164.5-15.900111L40L40-Q43 HydrophobicContact CB-CG 4Å
44S50Low71Confident78 Ų7898.4 Ų98.455%0.54554%0.538SS..  trans-71.8136157.7-63.50000108.7G42 G46G42-S44 PolarHBondContact O-N 3.28Å; S44-G46 PolarHBondContact O-N 3.22Å
45P41.9Very low70.4Confident144 Ų14496.8 Ų96.894%0.93553%0.528SS*.THydrogen-bonded Turntrans-70.492.5176.521.6-19.1000109
46G45.7Very low69.9Low78 Ų7899.8 Ų99.880%0.80454%0.54SS*.THydrogen-bonded Turntrans158.7-21177.800000116.1S44S44-G46 PolarHBondContact O-N 3.22Å
47E47.5Very low69.6Low161 Ų161102.4 Ų102.475%0.75256%0.558SS**SBendtrans-90.5136178.3-72.7176.9179.200111.1
48G46.5Very low69.5Low60 Ų60103 Ų10362%0.61956%0.561SS**  trans-53.5142.2-170.200000113.7W50G48-W50 PolarHBondContact O-N 2.83Å
49R46.3Very low69.5Low250 Ų250103.5 Ų103.594%0.94356%0.561SS**  trans-70.259.3-175.8-63.8178.1170.9-173.6-2.8113.8
50W44.8Very low69.7Low214 Ų214103 Ų10381%0.81156%0.559SS**  trans-97.6109.4170.4-61.599.5000108.5G48 E52G48-W50 PolarHBondContact O-N 2.83Å; W50-E52 PolarHBondContact O-N 3.18Å
51Q54.7Low70.1Confident169 Ų169101.5 Ų101.579%0.7955%0.552SS**  trans-71.395.1172.7-72.5-174.5-6.700108.2
52E68.3Low70.7Confident99 Ų99101.2 Ų101.246%0.46355%0.55SS.*  trans-63.9142.1172.9-69.7-61.8155.700110.3W50 F54 Q55W50-E52 PolarHBondContact O-N 3.18Å; E52-F54 PolarHBondContact O-N 3.14Å; E52-Q55 WeakPolarHBondContact O-CB 3.24Å; E52-Q55 PolarHBondContact O-N 3.26Å
53P74.1Confident72Confident92 Ų9298.8 Ų98.860%0.59753%0.526SS*.THydrogen-bonded Turntrans-56.5-16.5179.7-2634000115.1Q190P53-Q190 PolarHBondContact O-NE2 3.32Å
54F82.4Confident73.9Confident92 Ų9299.3 Ų99.340%0.40453%0.528SS..THydrogen-bonded Turntrans-108.410.5-179.7-57-82.3000113.3E52 L56 Y155 L158E52-F54 PolarHBondContact O-N 3.14Å; F54-L56 PolarHBondContact O-N 3.02Å; F54-Y155 AromaticContact CD2-CD2 3.83Å; F54-Y155 HydrophobicContact CD2-CD2 3.83Å; F54-Y155 AromaticContact CD2-CE2 3.62Å; F54-Y155 HydrophobicContact CD2-CE2 3.62Å; F54-Y155 AromaticContact CE2-CD2 3.89Å; F54-Y155 HydrophobicContact CE2-CD2 3.89Å; F54-Y155 AromaticContact CE2-CE2 3.76Å; F54-Y155 HydrophobicContact CE2-CE2 3.76Å; F54-L158 HydrophobicContact CE1-CD1 3.86Å; F54-L158 HydrophobicContact CZ-CD1 3.62Å
55Q85.7Confident76.1Confident65 Ų6597.9 Ų97.930%0.30452%0.521SS..  trans-57.8120.1176.6177.361.266.700110.6L40 V41 E52L40-Q55 HydrophobicContact CD2-CG 3.64Å; V41-Q55 PolarHBondContact O-NE2 3.14Å; E52-Q55 WeakPolarHBondContact O-CB 3.24Å; E52-Q55 PolarHBondContact O-N 3.26Å
56L89Confident78.8Confident105 Ų10594.9 Ų94.955%0.5549%0.493SS..  trans-84.7147.9178-64.2179.5000111.2V41 F54V41-L56 HydrophobicContact CB-CB 4.2Å; V41-L56 HydrophobicContact CG2-CB 4.15Å; V41-L56 PolarHBondContact N-O 2.89Å; F54-L56 PolarHBondContact O-N 3.02Å
57C91.8Very high81.2Confident55 Ų5591.8 Ų91.837%0.37246%0.458SS..EExtended strand (participates in β ladder)trans-114.9145169.1-58.70000109V38 Q39 L40V38-C57 HydrophobicContact CG1-CB 4.06Å; Q39-C57 CarbonylContact O-C 3.56Å; Q39-C57 VanDerWaalsContact O-CA 3.22Å; Q39-C57 WeakPolarHBondContact O-CA 3.49Å; L40-C57 WeakPolarHBondContact CD2-SG 3.23Å
58Q95.4Very high83.6Confident78 Ų7889.6 Ų89.636%0.36444%0.444SS..EExtended strand (participates in β ladder)trans-107.9127.6172.5176.7-174.1-4.500108.7V38 Q39 V41V38-Q58 CarbonylContact C-O 3.6Å; V38-Q58 VanDerWaalsContact CA-O 3.31Å; V38-Q58 WeakPolarHBondContact CA-O 3.28Å; Q39-Q58 HydrophobicContact CG-CB 4.15Å; Q39-Q58 PolarHBondContact N-O 3.1Å; Q39-Q58 PolarHBondContact O-N 2.89Å; V41-Q58 HydrophobicContact CG2-CB 3.78Å
59F97.9Very high86Confident31 Ų3188.3 Ų88.314%0.13642%0.422CS..EExtended strand (participates in β ladder)trans-94.5112.3164.3172.5-129.5000108.3A5 Y8 A36 Q37 V38 V61 V71 M74 M75 L78A5-F59 HydrophobicContact CB-CD2 4.27Å; A5-F59 HydrophobicContact CB-CE2 3.94Å; Y8-F59 HydrophobicContact CD2-CZ 4.36Å; A36-F59 HydrophobicContact CB-CE2 4.07Å; A36-F59 HydrophobicContact CB-CZ 4.48Å; Q37-F59 CarbonylContact O-C 3.56Å; Q37-F59 WeakPolarHBondContact O-CA 3.48Å; Q37-F59 WeakPolarHBondContact O-CD2 3.37Å; V38-F59 HydrophobicContact CG2-CB 4.2Å; V38-F59 HydrophobicContact CG2-CD2 3.82Å; V38-F59 HydrophobicContact CG2-CG 4.39Å; F59-V61 HydrophobicContact CE1-CB 4.15Å; F59-V61 HydrophobicContact CE1-CG1 4.06Å; F59-V61 HydrophobicContact CE2-CB 4.23Å; F59-V61 HydrophobicContact CZ-CB 3.75Å; F59-V61 HydrophobicContact CZ-CG1 4.17Å; F59-V61 HydrophobicContact CZ-CG2 4.27Å; F59-V71 HydrophobicContact CE1-CG1 4.26Å; F59-M74 HydrophobicContact CE1-CB 4.2Å; F59-M74 HydrophobicContact CZ-CE 4.01Å; F59-M75 HydrophobicContact CB-CE 4.43Å; F59-M75 HydrophobicContact CB-SD 3.54Å; F59-M75 VanDerWaalsContact CB-SD 3.54Å; F59-M75 HydrophobicContact CD1-CB 4.37Å; F59-M75 HydrophobicContact CD1-SD 3.87Å; F59-M75 HydrophobicContact CG-SD 3.97Å; F59-L78 HydrophobicContact CB-CD1 4.5Å; F59-L78 HydrophobicContact CD1-CD1 4.07Å; F59-L78 HydrophobicContact CD2-CD1 3.68Å; F59-L78 HydrophobicContact CE1-CD1 4.21Å; F59-L78 HydrophobicContact CE2-CD1 3.86Å; F59-L78 HydrophobicContact CG-CD1 3.81Å; F59-L78 HydrophobicContact CZ-CD1 4.11Å
60E97.9Very high88.5Confident67 Ų6776.4 Ų76.431%0.31338%0.377SS..EExtended strand (participates in β ladder)trans-104.5130.5176.4-173.9-179.198.400109.2A36 Q37A36-E60 CarbonylContact C-O 3.6Å; A36-E60 WeakPolarHBondContact CA-O 3.46Å; Q37-E60 HydrophobicContact CG-CB 3.96Å; Q37-E60 PolarHBondContact N-O 3.09Å; Q37-E60 PolarHBondContact NE2-OE1 3.24Å; Q37-E60 PolarHBondContact O-N 3.14Å
61V98.5Very high91.1Very high28 Ų2867.1 Ų67.117%0.1734%0.344CS..EExtended strand (participates in β ladder)trans-136.5129179.160.80000110.2I33 S35 A36 F59 F66 V71 M74I33-V61 HydrophobicContact CD1-CG2 4.11Å; I33-V61 HydrophobicContact CG2-CG2 3.81Å; S35-V61 WeakPolarHBondContact O-CA 3.37Å; A36-V61 HydrophobicContact CB-CG2 4.33Å; F59-V61 HydrophobicContact CE1-CB 4.15Å; F59-V61 HydrophobicContact CE1-CG1 4.06Å; F59-V61 HydrophobicContact CE2-CB 4.23Å; F59-V61 HydrophobicContact CZ-CB 3.75Å; F59-V61 HydrophobicContact CZ-CG1 4.17Å; F59-V61 HydrophobicContact CZ-CG2 4.27Å; V61-F66 HydrophobicContact CG1-CE1 4.15Å; V61-F66 HydrophobicContact CG1-CZ 4.12Å; V61-F66 HydrophobicContact CG2-CE1 3.88Å; V61-F66 HydrophobicContact CG2-CZ 4.09Å; V61-V71 HydrophobicContact CG1-CG1 3.85Å; V61-V71 HydrophobicContact CG1-CG2 4.07Å; V61-M74 HydrophobicContact CG2-CE 4.17Å
62T98.6Very high93.1Very high59 Ų5959.8 Ų59.836%0.36231%0.309SS..EExtended strand (participates in β ladder)trans-114.2132.4173-54.50000108.6L34 S35L34-T62 HydrophobicContact CB-CG2 4.39Å; L34-T62 HydrophobicContact CD1-CG2 4.27Å; L34-T62 PolarHBondContact N-O 2.91Å; S35-T62 PolarHBondContact N-O 3.43Å; S35-T62 VanDerWaalsContact N-O 3.16Å; S35-T62 PolarHBondContact O-N 2.87Å; S35-T62 VanDerWaalsContact OG-CB 3.31Å; S35-T62 WeakPolarHBondContact OG-CB 3.44Å; S35-T62 PolarHBondContact OG-OG1 2.67Å
63G97.9Very high94.5Very high19 Ų1955.2 Ų55.220%0.19629%0.288CS..EExtended strand (participates in β ladder)trans-151.1165.3178.500000111.2T32T32-G63 VanDerWaalsContact O-CA 3.28Å; T32-G63 WeakPolarHBondContact O-CA 3.4Å
64Q96.9Very high95.7Very high142 Ų14250.9 Ų50.966%0.66426%0.259SS*.SBendtrans-69.4-38.6177.8-69.3177.4-1700111.8T32T32-Q64 HydrophobicContact CG2-CG 4.49Å; T32-Q64 PolarHBondContact O-N 2.91Å; T32-Q64 PolarHBondContact OG1-OE1 3.05Å
65A96.1Very high96.5Very high47 Ų4748.2 Ų48.239%0.38825%0.249SC..  trans-159.8160.7175.400000109.5R31R31-A65 WeakPolarHBondContact CD-O 3.32Å
66F97.8Very high97Very high81 Ų8145.4 Ų45.436%0.35524%0.236SC..  trans-124.5146176.9-61-81.6000111.1I33 V61 Q70 V71I33-F66 HydrophobicContact CD1-CD1 4.16Å; I33-F66 HydrophobicContact CD1-CE1 3.59Å; I33-F66 HydrophobicContact CD1-CZ 4.45Å; V61-F66 HydrophobicContact CG1-CE1 4.15Å; V61-F66 HydrophobicContact CG1-CZ 4.12Å; V61-F66 HydrophobicContact CG2-CE1 3.88Å; V61-F66 HydrophobicContact CG2-CZ 4.09Å; F66-Q70 HydrophobicContact CB-CB 4.44Å; F66-V71 HydrophobicContact CD1-CG2 3.56Å; F66-V71 HydrophobicContact CE1-CG2 3.78Å; F66-V71 HydrophobicContact CG-CG2 3.97Å; F66-V71 HydrophobicContact CZ-CG2 4.37Å
67L97.8Very high97.4Very high13 Ų1340.4 Ų40.47%0.06821%0.21CC..  trans-78.3165.1170.9-67.3152.6000110.9F14 C18 V26 F29 R31 H69 Q70F14-L67 HydrophobicContact CB-CD1 3.74Å; C18-L67 HydrophobicContact CB-CB 3.72Å; C18-L67 HydrophobicContact CB-CD1 4.17Å; V26-L67 HydrophobicContact CG1-CD2 3.98Å; F29-L67 HydrophobicContact CB-CD1 4.23Å; F29-L67 HydrophobicContact CD1-CD1 3.94Å; F29-L67 HydrophobicContact CD1-CD2 3.87Å; F29-L67 HydrophobicContact CE1-CD2 4.27Å; F29-L67 WeakPolarHBondContact O-CD1 3.1Å; R31-L67 HydrophobicContact CG-CD1 3.93Å; R31-L67 HydrophobicContact CG-CG 3.88Å; R31-L67 VanDerWaalsContact CZ-CD2 3.45Å; L67-H69 PolarHBondContact O-N 2.91Å; L67-Q70 HydrophobicContact CB-CB 4.05Å; L67-Q70 VanDerWaalsContact O-CB 3.28Å; L67-Q70 WeakPolarHBondContact O-CB 3.41Å; L67-Q70 PolarHBondContact O-N 2.9Å
68Y97.2Very high97.7Very high115 Ų11537.8 Ų37.845%0.45119%0.192SC..THydrogen-bonded Turntrans-57.5123.1176.8-173-138.4000111.7C18 K19 D21 Q70C18-Y68 WeakPolarHBondContact CB-O 3.41Å; K19-Y68 HydrophobicContact CB-CD1 3.97Å; K19-Y68 HydrophobicContact CB-CE1 4.47Å; K19-Y68 HydrophobicContact CD-CD1 4.08Å; K19-Y68 HydrophobicContact CD-CE1 3.76Å; K19-Y68 HydrophobicContact CG-CD1 4.16Å; K19-Y68 HydrophobicContact CG-CE1 4.34Å; K19-Y68 PolarHBondContact N-O 3.15Å; D21-Y68 HydrophobicContact CB-CD1 4.5Å; Y68-Q70 PolarHBondContact O-N 3.41Å
69H97.2Very high97.8Very high33 Ų3335.5 Ų35.515%0.15318%0.182CC..THydrogen-bonded Turntrans58.118.4-173.7-56.8-48.8000116.4K19 L67 R72 C73 M108K19-H69 HydrophobicContact CB-CB 4.38Å; L67-H69 PolarHBondContact O-N 2.91Å; H69-R72 PolarHBondContact O-N 2.86Å; H69-C73 WeakPolarHBondContact O-CB 3.34Å; H69-C73 PolarHBondContact O-N 2.86Å; H69-C73 PolarHBondContact O-SG 3.12Å; H69-C73 VanDerWaalsContact O-SG 3.37Å; H69-M108 HydrophobicContact CB-SD 3.8Å
70Q98.4Very high97.7Very high1 Ų135.1 Ų35.11%0.00518%0.181CC..Hα-helixtrans-58.6-55.3-176.1-173.1179.5-18.700112.8F14 L17 C18 F66 L67 Y68 R72 C73 M74F14-Q70 HydrophobicContact CB-CG 4.36Å; F14-Q70 HydrophobicContact CD1-CG 4.27Å; F14-Q70 VanDerWaalsContact CD1-NE2 3.31Å; F14-Q70 HydrophobicContact CG-CG 4.47Å; F14-Q70 VanDerWaalsContact CG-NE2 3.26Å; L17-Q70 VanDerWaalsContact O-CA 3.28Å; L17-Q70 WeakPolarHBondContact O-CA 3.43Å; C18-Q70 HydrophobicContact CB-CB 4.35Å; F66-Q70 HydrophobicContact CB-CB 4.44Å; L67-Q70 HydrophobicContact CB-CB 4.05Å; L67-Q70 VanDerWaalsContact O-CB 3.28Å; L67-Q70 WeakPolarHBondContact O-CB 3.41Å; L67-Q70 PolarHBondContact O-N 2.9Å; Y68-Q70 PolarHBondContact O-N 3.41Å; Q70-R72 VanDerWaalsContact C-N 3.3Å; Q70-R72 PolarHBondContact O-N 3.43Å; Q70-C73 WeakPolarHBondContact O-CB 3.12Å; Q70-C73 PolarHBondContact O-N 2.68Å; Q70-C73 VanDerWaalsContact O-N 3.08Å; Q70-M74 HydrophobicContact CG-CG 4.41Å; Q70-M74 HydrophobicContact CG-SD 3.86Å; Q70-M74 WeakPolarHBondContact O-CG 3.43Å; Q70-M74 PolarHBondContact O-N 3.41Å
71V98.4Very high97.6Very high19 Ų1932.7 Ų32.712%0.11517%0.17CC..Hα-helixtrans-61.3-40.2-176.4-177.40000111.6F59 V61 F66 C73 M74 M75 L114F59-V71 HydrophobicContact CE1-CG1 4.26Å; V61-V71 HydrophobicContact CG1-CG1 3.85Å; V61-V71 HydrophobicContact CG1-CG2 4.07Å; F66-V71 HydrophobicContact CD1-CG2 3.56Å; F66-V71 HydrophobicContact CE1-CG2 3.78Å; F66-V71 HydrophobicContact CG-CG2 3.97Å; F66-V71 HydrophobicContact CZ-CG2 4.37Å; V71-C73 VanDerWaalsContact C-N 3.31Å; V71-C73 PolarHBondContact O-N 3.28Å; V71-M74 PolarHBondContact O-N 3.14Å; V71-M75 PolarHBondContact O-N 3.25Å; V71-L114 HydrophobicContact CB-CD1 4.1Å; V71-L114 HydrophobicContact CB-CD2 4.4Å; V71-L114 HydrophobicContact CG1-CD1 3.61Å
72R98.2Very high97.4Very high15 Ų1533.5 Ų33.56%0.05718%0.184CC..Hα-helixtrans-64.6-36.1177.1-61.3178.261-167.9-6.3112.3H69 Q70 A76 M108 A109 E111 L114 E196H69-R72 PolarHBondContact O-N 2.86Å; Q70-R72 VanDerWaalsContact C-N 3.3Å; Q70-R72 PolarHBondContact O-N 3.43Å; R72-A76 PolarHBondContact O-N 3.46Å; R72-A76 VanDerWaalsContact O-N 3.13Å; R72-M108 HydrophobicContact CB-CB 4.23Å; R72-A109 PolarHBondContact NE-O 2.92Å; R72-A109 PolarHBondContact NH2-O 3.32Å; R72-A109 WeakPolarHBondContact O-CB 3.42Å; R72-A109 PolarHBondContact O-N 3.36Å; R72-A109 VanDerWaalsContact O-N 3.08Å; R72-E111 IonicContact NH1-OE2 3.09Å; R72-L114 HydrophobicContact CG-CD2 3.82Å; R72-E196 IonicContact CZ-OE1 2.6Å; R72-E196 IonicContact NH1-OE1 3.66Å; R72-E196 IonicContact NH2-OE1 3.9Å; R72-E196 PolarHBondContact NH2-OE1 3.4Å; R72-E196 IonicContact NH2-OE2 3.65Å
73C98.3Very high97.1Very high3 Ų334.8 Ų34.82%0.0219%0.185CC..Hα-helixtrans-69.8-44.1173.4-78.70000111.8L17 H69 Q70 V71 M75 A76 I77 Y106L17-C73 VanDerWaalsContact C-CB 3.46Å; L17-C73 WeakPolarHBondContact O-CB 3.19Å; H69-C73 WeakPolarHBondContact O-CB 3.34Å; H69-C73 PolarHBondContact O-N 2.86Å; H69-C73 PolarHBondContact O-SG 3.12Å; H69-C73 VanDerWaalsContact O-SG 3.37Å; Q70-C73 WeakPolarHBondContact O-CB 3.12Å; Q70-C73 PolarHBondContact O-N 2.68Å; Q70-C73 VanDerWaalsContact O-N 3.08Å; V71-C73 VanDerWaalsContact C-N 3.31Å; V71-C73 PolarHBondContact O-N 3.28Å; C73-M75 VanDerWaalsContact C-N 3.32Å; C73-M75 PolarHBondContact O-N 2.72Å; C73-A76 WeakPolarHBondContact O-CB 3.34Å; C73-A76 PolarHBondContact O-N 3.32Å; C73-I77 PolarHBondContact O-N 3.28Å; C73-Y106 HydrophobicContact CB-CE2 4.08Å; C73-Y106 VanDerWaalsContact CB-OH 3.32Å; C73-Y106 WeakPolarHBondContact CB-OH 3.39Å; C73-Y106 PolarHBondContact SG-OH 3.39Å; C73-Y106 VanDerWaalsContact SG-OH 3.39Å
74M98.6Very high96.9Very high0 Ų037 Ų370%021%0.208CC..Hα-helixtrans-57.7-45.6175.5-66.6165.174.900111.2Y8 F14 I33 F59 V61 Q70 V71 A76 I77 L78Y8-M74 HydrophobicContact CD1-CE 3.91Å; Y8-M74 HydrophobicContact CD1-CG 4.41Å; Y8-M74 HydrophobicContact CD2-CB 4.42Å; Y8-M74 HydrophobicContact CD2-CE 3.42Å; Y8-M74 VanDerWaalsContact CD2-CE 3.42Å; Y8-M74 HydrophobicContact CE1-CB 4.41Å; Y8-M74 HydrophobicContact CE1-CE 4.45Å; Y8-M74 HydrophobicContact CE1-CG 4.12Å; Y8-M74 HydrophobicContact CE2-CB 3.82Å; Y8-M74 HydrophobicContact CE2-CE 4Å; Y8-M74 HydrophobicContact CE2-CG 4.26Å; Y8-M74 HydrophobicContact CG-CE 3.36Å; Y8-M74 WeakPolarHBondContact OH-CA 3.48Å; Y8-M74 PolarHBondContact OH-O 3.09Å; F14-M74 HydrophobicContact CE1-CE 4.34Å; F14-M74 HydrophobicContact CE1-SD 4.39Å; I33-M74 HydrophobicContact CD1-CE 4.47Å; I33-M74 HydrophobicContact CG1-CE 4.49Å; F59-M74 HydrophobicContact CE1-CB 4.2Å; F59-M74 HydrophobicContact CZ-CE 4.01Å; V61-M74 HydrophobicContact CG2-CE 4.17Å; Q70-M74 HydrophobicContact CG-CG 4.41Å; Q70-M74 HydrophobicContact CG-SD 3.86Å; Q70-M74 WeakPolarHBondContact O-CG 3.43Å; Q70-M74 PolarHBondContact O-N 3.41Å; V71-M74 PolarHBondContact O-N 3.14Å; M74-A76 VanDerWaalsContact C-N 3.33Å; M74-A76 PolarHBondContact O-N 2.95Å; M74-I77 PolarHBondContact O-N 2.78Å; M74-L78 PolarHBondContact O-N 3.05Å; M74-L78 VanDerWaalsContact O-N 3.13Å
75M98.1Very high96.8Very high37 Ų3733.1 Ų33.118%0.18219%0.191CC..Hα-helixtrans-64-36.5177.4-17061.5-166.200112.5F59 V71 C73 I77 L78 F79 A109F59-M75 HydrophobicContact CB-CE 4.43Å; F59-M75 HydrophobicContact CB-SD 3.54Å; F59-M75 VanDerWaalsContact CB-SD 3.54Å; F59-M75 HydrophobicContact CD1-CB 4.37Å; F59-M75 HydrophobicContact CD1-SD 3.87Å; F59-M75 HydrophobicContact CG-SD 3.97Å; V71-M75 PolarHBondContact O-N 3.25Å; C73-M75 VanDerWaalsContact C-N 3.32Å; C73-M75 PolarHBondContact O-N 2.72Å; M75-I77 VanDerWaalsContact C-N 3.32Å; M75-I77 PolarHBondContact O-N 3Å; M75-L78 WeakPolarHBondContact O-CB 3.12Å; M75-L78 PolarHBondContact O-N 3.19Å; M75-L78 HydrophobicContact SD-CB 4.38Å; M75-L78 HydrophobicContact SD-CD1 4.18Å; M75-F79 HydrophobicContact CE-CD1 4.1Å; M75-F79 HydrophobicContact CE-CE1 3.51Å; M75-F79 HydrophobicContact CE-CE2 4.07Å; M75-F79 HydrophobicContact CE-CZ 3.49Å; M75-F79 VanDerWaalsContact CE-CZ 3.49Å; M75-F79 HydrophobicContact CG-CD2 4.31Å; M75-F79 HydrophobicContact CG-CE2 3.86Å; M75-F79 HydrophobicContact CG-CZ 4.19Å; M75-F79 WeakPolarHBondContact O-CD2 3.49Å; M75-F79 PolarHBondContact O-N 3.43Å; M75-A109 HydrophobicContact CB-CB 4.02Å; M75-A109 HydrophobicContact CG-CB 4.11Å
76A97.2Very high96.9Very high5 Ų532.1 Ų32.14%0.04118%0.178CC..Hα-helixtrans-60.8-40.7176.200000112.6R72 C73 M74 F79 L80 Y106 S107R72-A76 PolarHBondContact O-N 3.46Å; R72-A76 VanDerWaalsContact O-N 3.13Å; C73-A76 WeakPolarHBondContact O-CB 3.34Å; C73-A76 PolarHBondContact O-N 3.32Å; M74-A76 VanDerWaalsContact C-N 3.33Å; M74-A76 PolarHBondContact O-N 2.95Å; A76-F79 PolarHBondContact O-N 3.39Å; A76-L80 WeakPolarHBondContact O-CG 3.5Å; A76-L80 PolarHBondContact O-N 2.87Å; A76-Y106 HydrophobicContact CB-CD2 4.29Å; A76-Y106 HydrophobicContact CB-CE2 4.38Å; A76-S107 VanDerWaalsContact CB-O 3.23Å; A76-S107 WeakPolarHBondContact CB-O 3.39Å
77I98.1Very high96.9Very high0 Ų035.7 Ų35.70%019%0.194CC..Hα-helixtrans-67.2-40.2175.5-56.3-54.1000110.7Y8 L17 C73 M74 M75 F79 L80 I81 I90 I91 L94 Y106 L206Y8-I77 WeakPolarHBondContact OH-CB 3.49Å; L17-I77 HydrophobicContact CD2-CG1 3.64Å; C73-I77 PolarHBondContact O-N 3.28Å; M74-I77 PolarHBondContact O-N 2.78Å; M75-I77 VanDerWaalsContact C-N 3.32Å; M75-I77 PolarHBondContact O-N 3Å; I77-F79 VanDerWaalsContact C-N 3.28Å; I77-F79 PolarHBondContact O-N 3.49Å; I77-L80 HydrophobicContact CD1-CD1 4.34Å; I77-L80 WeakPolarHBondContact O-CB 3.42Å; I77-L80 PolarHBondContact O-N 2.95Å; I77-L80 VanDerWaalsContact O-N 3.1Å; I77-I81 HydrophobicContact CG2-CD1 3.9Å; I77-I81 WeakPolarHBondContact O-CG1 3.39Å; I77-I81 PolarHBondContact O-N 3.34Å; I77-I90 HydrophobicContact CG2-CG2 3.75Å; I77-I91 HydrophobicContact CG2-CG1 3.89Å; I77-L94 HydrophobicContact CD1-CD1 3.78Å; I77-L94 HydrophobicContact CG1-CD1 3.93Å; I77-L94 HydrophobicContact CG2-CD1 4.35Å; I77-Y106 HydrophobicContact CD1-CD1 4.35Å; I77-Y106 HydrophobicContact CD1-CD2 4.27Å; I77-Y106 HydrophobicContact CD1-CE1 4.3Å; I77-Y106 HydrophobicContact CD1-CE2 4.24Å; I77-Y106 HydrophobicContact CD1-CG 4.35Å; I77-L206 HydrophobicContact CD1-CD1 3.59Å
78L98.1Very high96.9Very high0 Ų036.6 Ų36.60%020%0.2CC..Hα-helixtrans-60.9-36.6174.5-67.3174.8000112.2A4 A5 Y8 V38 F59 M74 M75 I81 G82 I91A4-L78 HydrophobicContact CB-CD2 3.91Å; A5-L78 HydrophobicContact CB-CD1 4.26Å; A5-L78 HydrophobicContact CB-CD2 4.2Å; Y8-L78 HydrophobicContact CE2-CD1 4.25Å; Y8-L78 HydrophobicContact CE2-CD2 4.21Å; Y8-L78 HydrophobicContact CE2-CG 4.11Å; V38-L78 HydrophobicContact CG2-CD1 4.03Å; F59-L78 HydrophobicContact CB-CD1 4.5Å; F59-L78 HydrophobicContact CD1-CD1 4.07Å; F59-L78 HydrophobicContact CD2-CD1 3.68Å; F59-L78 HydrophobicContact CE1-CD1 4.21Å; F59-L78 HydrophobicContact CE2-CD1 3.86Å; F59-L78 HydrophobicContact CG-CD1 3.81Å; F59-L78 HydrophobicContact CZ-CD1 4.11Å; M74-L78 PolarHBondContact O-N 3.05Å; M74-L78 VanDerWaalsContact O-N 3.13Å; M75-L78 WeakPolarHBondContact O-CB 3.12Å; M75-L78 PolarHBondContact O-N 3.19Å; M75-L78 HydrophobicContact SD-CB 4.38Å; M75-L78 HydrophobicContact SD-CD1 4.18Å; L78-I81 PolarHBondContact O-N 3.08Å; L78-G82 PolarHBondContact O-N 2.88Å; L78-I91 HydrophobicContact CD2-CD1 4.43Å
79F96.1Very high97Very high31 Ų3135.2 Ų35.214%0.13620%0.198CC..Hα-helixtrans-62.4-44.4171.8-74.3-47.7000112.2M75 A76 I77 I81 G82 Q83 A109 T191 F194 V195M75-F79 HydrophobicContact CE-CD1 4.1Å; M75-F79 HydrophobicContact CE-CE1 3.51Å; M75-F79 HydrophobicContact CE-CE2 4.07Å; M75-F79 HydrophobicContact CE-CZ 3.49Å; M75-F79 VanDerWaalsContact CE-CZ 3.49Å; M75-F79 HydrophobicContact CG-CD2 4.31Å; M75-F79 HydrophobicContact CG-CE2 3.86Å; M75-F79 HydrophobicContact CG-CZ 4.19Å; M75-F79 WeakPolarHBondContact O-CD2 3.49Å; M75-F79 PolarHBondContact O-N 3.43Å; A76-F79 PolarHBondContact O-N 3.39Å; I77-F79 VanDerWaalsContact C-N 3.28Å; I77-F79 PolarHBondContact O-N 3.49Å; F79-I81 VanDerWaalsContact C-N 3.29Å; F79-I81 PolarHBondContact O-N 3.31Å; F79-G82 PolarHBondContact O-N 3.16Å; F79-Q83 WeakPolarHBondContact O-CB 3.42Å; F79-Q83 VanDerWaalsContact O-CG 3.22Å; F79-Q83 WeakPolarHBondContact O-CG 3.41Å; F79-Q83 PolarHBondContact O-N 2.86Å; F79-A109 HydrophobicContact CD2-CB 4.49Å; F79-A109 HydrophobicContact CE2-CB 4Å; F79-T191 HydrophobicContact CB-CG2 4.17Å; F79-T191 HydrophobicContact CD1-CG2 3.66Å; F79-T191 HydrophobicContact CE1-CG2 4.14Å; F79-T191 HydrophobicContact CG-CG2 3.91Å; F79-F194 HydrophobicContact CE1-CB 4.4Å; F79-F194 HydrophobicContact CE1-CD2 4.47Å; F79-F194 HydrophobicContact CE2-CB 3.73Å; F79-F194 HydrophobicContact CZ-CB 3.52Å; F79-F194 HydrophobicContact CZ-CD2 4.23Å; F79-F194 HydrophobicContact CZ-CG 4.18Å; F79-V195 HydrophobicContact CD2-CG2 3.76Å; F79-V195 HydrophobicContact CE2-CG2 4.25Å; F79-V195 HydrophobicContact CG-CG2 4.41Å
80L95.9Very high97Very high22 Ų2234.1 Ų34.112%0.11519%0.193CC..Hα-helixtrans-60.3-41.3177.6-64.6177.7000111.9A76 I77 G84 M85 E86 Y203 L206A76-L80 WeakPolarHBondContact O-CG 3.5Å; A76-L80 PolarHBondContact O-N 2.87Å; I77-L80 HydrophobicContact CD1-CD1 4.34Å; I77-L80 WeakPolarHBondContact O-CB 3.42Å; I77-L80 PolarHBondContact O-N 2.95Å; I77-L80 VanDerWaalsContact O-N 3.1Å; L80-G84 PolarHBondContact O-N 3.07Å; L80-M85 HydrophobicContact CD2-CE 3.44Å; L80-M85 VanDerWaalsContact CD2-CE 3.44Å; L80-M85 PolarHBondContact O-N 3.37Å; L80-E86 HydrophobicContact CB-CB 4.25Å; L80-E86 HydrophobicContact CB-CG 3.93Å; L80-E86 HydrophobicContact CD1-CG 4.34Å; L80-E86 PolarHBondContact O-N 3.1Å; L80-Y203 HydrophobicContact CD2-CE2 3.74Å; L80-L206 HydrophobicContact CD1-CD1 3.73Å; L80-L206 HydrophobicContact CD1-CD2 4.12Å; L80-L206 HydrophobicContact CD1-CG 4.04Å
81I97.3Very high97.1Very high17 Ų1734.1 Ų34.19%0.08719%0.193CC..Hα-helixtrans-68-45.2176.5-63.8163.5000111A4 I77 L78 F79 Q83 G84 E86 P88 I90 I91A4-I81 HydrophobicContact CB-CD1 3.75Å; A4-I81 HydrophobicContact CB-CG2 4.19Å; I77-I81 HydrophobicContact CG2-CD1 3.9Å; I77-I81 WeakPolarHBondContact O-CG1 3.39Å; I77-I81 PolarHBondContact O-N 3.34Å; L78-I81 PolarHBondContact O-N 3.08Å; F79-I81 VanDerWaalsContact C-N 3.29Å; F79-I81 PolarHBondContact O-N 3.31Å; I81-Q83 PolarHBondContact O-N 2.84Å; I81-G84 PolarHBondContact O-N 2.93Å; I81-E86 WeakPolarHBondContact CA-O 3.37Å; I81-E86 HydrophobicContact CG1-CB 4.02Å; I81-P88 HydrophobicContact CG2-CG 4.24Å; I81-I90 HydrophobicContact CD1-CG2 3.93Å; I81-I90 HydrophobicContact CG1-CG2 4.14Å; I81-I91 HydrophobicContact CD1-CD1 3.9Å; I81-I91 HydrophobicContact CD1-CG1 4.18Å
82G93.6Very high97.1Very high45 Ų4536.4 Ų36.446%0.46420%0.204SC..Hα-helixtrans-62.9-29.8178.800000113.5L78 F79 G84L78-G82 PolarHBondContact O-N 2.88Å; F79-G82 PolarHBondContact O-N 3.16Å; G82-G84 VanDerWaalsContact C-N 3.28Å
83Q91.9Very high97.1Very high85 Ų8538.3 Ų38.340%0.39721%0.214SC..THydrogen-bonded Turntrans-841173.8-65.8-175.6-80.100113.4F79 I81 M85F79-Q83 WeakPolarHBondContact O-CB 3.42Å; F79-Q83 VanDerWaalsContact O-CG 3.22Å; F79-Q83 WeakPolarHBondContact O-CG 3.41Å; F79-Q83 PolarHBondContact O-N 2.86Å; I81-Q83 PolarHBondContact O-N 2.84Å; Q83-M85 HydrophobicContact CB-CE 3.65Å; Q83-M85 HydrophobicContact CB-CG 4.21Å; Q83-M85 HydrophobicContact CG-CE 4.18Å; Q83-M85 PolarHBondContact O-N 2.97Å
84G93.9Very high97.1Very high65 Ų6538.2 Ų38.267%0.6721%0.213SC*.THydrogen-bonded Turntrans70.613.8-179.100000114.5L80 I81 G82L80-G84 PolarHBondContact O-N 3.07Å; I81-G84 PolarHBondContact O-N 2.93Å; G82-G84 VanDerWaalsContact C-N 3.28Å
85M95Very high97.1Very high61 Ų6139.2 Ų39.230%0.322%0.218SC..SBendtrans-84.5-23.9-179.8-65.3-172-73.200112.5L80 Q83 Y203L80-M85 HydrophobicContact CD2-CE 3.44Å; L80-M85 VanDerWaalsContact CD2-CE 3.44Å; L80-M85 PolarHBondContact O-N 3.37Å; Q83-M85 HydrophobicContact CB-CE 3.65Å; Q83-M85 HydrophobicContact CB-CG 4.21Å; Q83-M85 HydrophobicContact CG-CE 4.18Å; Q83-M85 PolarHBondContact O-N 2.97Å; M85-Y203 HydrophobicContact CB-CD1 3.98Å; M85-Y203 HydrophobicContact CB-CD2 4.07Å; M85-Y203 HydrophobicContact CB-CE1 3.7Å; M85-Y203 HydrophobicContact CB-CE2 3.75Å; M85-Y203 HydrophobicContact CB-CG 4.16Å; M85-Y203 HydrophobicContact CE-CD2 4.28Å; M85-Y203 HydrophobicContact CE-CE2 4.22Å; M85-Y203 HydrophobicContact CG-CD1 4.38Å; M85-Y203 HydrophobicContact CG-CD2 4.13Å; M85-Y203 HydrophobicContact CG-CE2 4.27Å; M85-Y203 HydrophobicContact CG-CG 4.17Å; M85-Y203 WeakPolarHBondContact O-CE1 3.41Å; M85-Y203 HydrophobicContact SD-CD1 4.45Å; M85-Y203 HydrophobicContact SD-CD2 3.24Å; M85-Y203 WeakPolarHBondContact SD-CD2 3.37Å; M85-Y203 HydrophobicContact SD-CE2 3.65Å; M85-Y203 HydrophobicContact SD-CG 3.69Å
86E97.8Very high97Very high27 Ų2740.7 Ų40.713%0.12623%0.227CC..SBendtrans-130.1155.3172.4-68.8-67.6-177.600110.5L80 I81 I90 Y203 P205 L206L80-E86 HydrophobicContact CB-CB 4.25Å; L80-E86 HydrophobicContact CB-CG 3.93Å; L80-E86 HydrophobicContact CD1-CG 4.34Å; L80-E86 PolarHBondContact O-N 3.1Å; I81-E86 WeakPolarHBondContact CA-O 3.37Å; I81-E86 HydrophobicContact CG1-CB 4.02Å; E86-I90 HydrophobicContact CB-CB 4.37Å; E86-I90 HydrophobicContact CB-CG2 4.01Å; E86-I90 HydrophobicContact CG-CG1 4.43Å; E86-Y203 VanDerWaalsContact CD-OH 3.25Å; E86-Y203 WeakPolarHBondContact CG-OH 3.39Å; E86-Y203 PolarHBondContact OE1-OH 3.36Å; E86-P205 WeakPolarHBondContact OE1-CA 3.32Å; E86-L206 HydrophobicContact CG-CD1 4.16Å; E86-L206 HydrophobicContact CG-CG 4.45Å; E86-L206 WeakPolarHBondContact OE1-CB 3.44Å; E86-L206 WeakPolarHBondContact OE1-CG 3.35Å; E86-L206 PolarHBondContact OE1-N 3.32Å
87K98Very high97Very high156 Ų15641.8 Ų41.868%0.67823%0.232SC*.  trans-90.4157.1170.2-55.8-177.2176.7177.40110.8E89 I90K87-E89 WeakPolarHBondContact CB-OE2 3.28Å; K87-E89 PolarHBondContact O-N 3.48Å; K87-E89 VanDerWaalsContact O-N 3.09Å; K87-I90 WeakPolarHBondContact O-CB 3.18Å; K87-I90 WeakPolarHBondContact O-CG2 3.43Å; K87-I90 PolarHBondContact O-N 2.93Å; K87-I90 VanDerWaalsContact O-N 3.09Å
88P98.4Very high96.9Very high31 Ų3151 Ų5120%0.20128%0.275CS..THydrogen-bonded Turntrans-52.5-31178.7-28.537.4000115Y3 A4 K7 I81 I90 I91Y3-P88 HydrophobicContact CD1-CB 3.93Å; Y3-P88 HydrophobicContact CD1-CG 4.01Å; Y3-P88 HydrophobicContact CE1-CB 3.92Å; Y3-P88 HydrophobicContact CE1-CG 4.27Å; A4-P88 HydrophobicContact CB-CB 3.96Å; A4-P88 HydrophobicContact CB-CG 4.38Å; K7-P88 HydrophobicContact CD-CB 4.29Å; K7-P88 WeakPolarHBondContact CD-O 3.2Å; I81-P88 HydrophobicContact CG2-CG 4.24Å; P88-I90 PolarHBondContact O-N 2.84Å; P88-I90 VanDerWaalsContact O-N 3.12Å; P88-I91 PolarHBondContact O-N 2.87Å; P88-I91 VanDerWaalsContact O-N 3.17Å
89E98.1Very high96.8Very high87 Ų8756.8 Ų56.841%0.40730%0.3SS..THydrogen-bonded Turntrans-64.6-15.4-178.4-60.570.2-144.100113K87 I91 D92 E93K87-E89 WeakPolarHBondContact CB-OE2 3.28Å; K87-E89 PolarHBondContact O-N 3.48Å; K87-E89 VanDerWaalsContact O-N 3.09Å; E89-I91 PolarHBondContact O-N 3.23Å; E89-D92 WeakPolarHBondContact CA-OD2 3.5Å; E89-D92 WeakPolarHBondContact O-CB 3.41Å; E89-D92 PolarHBondContact O-N 2.87Å; E89-E93 PolarHBondContact O-N 3.09Å; E89-E93 VanDerWaalsContact O-N 3.12Å
90I98.5Very high96.7Very high10 Ų1056 Ų565%0.05130%0.297CS..Hα-helixtrans-59-28.8173.8-163.752.2000112.2I77 I81 E86 K87 P88 E93 L94 L206 M207I77-I90 HydrophobicContact CG2-CG2 3.75Å; I81-I90 HydrophobicContact CD1-CG2 3.93Å; I81-I90 HydrophobicContact CG1-CG2 4.14Å; E86-I90 HydrophobicContact CB-CB 4.37Å; E86-I90 HydrophobicContact CB-CG2 4.01Å; E86-I90 HydrophobicContact CG-CG1 4.43Å; K87-I90 WeakPolarHBondContact O-CB 3.18Å; K87-I90 WeakPolarHBondContact O-CG2 3.43Å; K87-I90 PolarHBondContact O-N 2.93Å; K87-I90 VanDerWaalsContact O-N 3.09Å; P88-I90 PolarHBondContact O-N 2.84Å; P88-I90 VanDerWaalsContact O-N 3.12Å; I90-E93 HydrophobicContact CD1-CB 4.29Å; I90-E93 PolarHBondContact O-N 2.91Å; I90-L94 HydrophobicContact CG1-CD1 4.29Å; I90-L94 HydrophobicContact CG1-CG 4.47Å; I90-L94 WeakPolarHBondContact O-CB 3.34Å; I90-L94 WeakPolarHBondContact O-CG 3.32Å; I90-L94 PolarHBondContact O-N 2.96Å; I90-L206 HydrophobicContact CD1-CB 4.12Å; I90-L206 HydrophobicContact CD1-CD1 4.44Å; I90-L206 HydrophobicContact CG1-CB 4.35Å; I90-L206 HydrophobicContact CG1-CD1 3.78Å; I90-M207 HydrophobicContact CD1-CG 3.6Å; I90-M207 HydrophobicContact CD1-SD 3.6Å; I90-M207 VanDerWaalsContact CD1-SD 3.6Å
91I98.7Very high96.7Very high0 Ų057.5 Ų57.50%031%0.308CS..Hα-helixtrans-66.2-43.1176.2-67.7170.8000109.9A4 K7 Y8 I77 L78 I81 P88 E89 E93 L94 L95A4-I91 HydrophobicContact CB-CD1 3.92Å; A4-I91 WeakPolarHBondContact O-CD1 3.44Å; K7-I91 HydrophobicContact CB-CB 4.15Å; K7-I91 HydrophobicContact CB-CD1 4.44Å; K7-I91 HydrophobicContact CB-CG2 3.7Å; K7-I91 HydrophobicContact CD-CB 4.39Å; Y8-I91 HydrophobicContact CD1-CG2 3.54Å; Y8-I91 HydrophobicContact CD2-CD1 4.5Å; Y8-I91 HydrophobicContact CE1-CB 4.24Å; Y8-I91 HydrophobicContact CE1-CD1 3.91Å; Y8-I91 HydrophobicContact CE1-CG1 3.85Å; Y8-I91 HydrophobicContact CE1-CG2 3.43Å; Y8-I91 VanDerWaalsContact CE1-CG2 3.43Å; Y8-I91 HydrophobicContact CE2-CD1 3.89Å; Y8-I91 HydrophobicContact CG-CG2 4.4Å; I77-I91 HydrophobicContact CG2-CG1 3.89Å; L78-I91 HydrophobicContact CD2-CD1 4.43Å; I81-I91 HydrophobicContact CD1-CD1 3.9Å; I81-I91 HydrophobicContact CD1-CG1 4.18Å; P88-I91 PolarHBondContact O-N 2.87Å; P88-I91 VanDerWaalsContact O-N 3.17Å; E89-I91 PolarHBondContact O-N 3.23Å; I91-E93 VanDerWaalsContact C-N 3.31Å; I91-E93 PolarHBondContact O-N 2.77Å; I91-L94 PolarHBondContact O-N 3.34Å; I91-L95 HydrophobicContact CG2-CD1 3.79Å; I91-L95 HydrophobicContact CG2-CG 4.32Å; I91-L95 WeakPolarHBondContact O-CB 3.45Å; I91-L95 VanDerWaalsContact O-CG 3.29Å; I91-L95 WeakPolarHBondContact O-CG 3.09Å; I91-L95 PolarHBondContact O-N 3.01Å
92D98.4Very high96.5Very high67 Ų6760.4 Ų60.436%0.35832%0.322SS..Hα-helixtrans-62.5-42.1177.8-50.2-44.1000110.6K7 E89 L94 L95 N96K7-D92 WeakPolarHBondContact CE-OD2 3.48Å; K7-D92 VanDerWaalsContact NZ-CG 3.29Å; K7-D92 IonicContact NZ-OD1 2.91Å; K7-D92 PolarHBondContact NZ-OD1 2.98Å; K7-D92 IonicContact NZ-OD2 3.71Å; K7-D92 PolarHBondContact NZ-OD2 3.16Å; E89-D92 WeakPolarHBondContact CA-OD2 3.5Å; E89-D92 WeakPolarHBondContact O-CB 3.41Å; E89-D92 PolarHBondContact O-N 2.87Å; D92-L94 PolarHBondContact O-N 2.96Å; D92-L95 PolarHBondContact O-N 2.78Å; D92-N96 WeakPolarHBondContact O-CB 3.4Å; D92-N96 PolarHBondContact O-N 3.11Å
93E98.3Very high96.6Very high55 Ų5559.6 Ų59.626%0.25731%0.306SS..Hα-helixtrans-62-42175.3-72.3-65.3154.100112.8E89 I90 I91 N96 K99 N100 M207E89-E93 PolarHBondContact O-N 3.09Å; E89-E93 VanDerWaalsContact O-N 3.12Å; I90-E93 HydrophobicContact CD1-CB 4.29Å; I90-E93 PolarHBondContact O-N 2.91Å; I91-E93 VanDerWaalsContact C-N 3.31Å; I91-E93 PolarHBondContact O-N 2.77Å; E93-N96 PolarHBondContact O-N 2.96Å; E93-K99 IonicContact OE1-NZ 2.65Å; E93-K99 PolarHBondContact OE1-NZ 3.06Å; E93-K99 WeakPolarHBondContact OE2-CD 3.37Å; E93-K99 VanDerWaalsContact OE2-CE 3.28Å; E93-K99 WeakPolarHBondContact OE2-CE 3.46Å; E93-K99 IonicContact OE2-NZ 2.67Å; E93-K99 PolarHBondContact OE2-NZ 3.24Å; E93-N100 PolarHBondContact O-ND2 3.19Å; E93-N100 PolarHBondContact OE2-ND2 2.81Å; E93-M207 HydrophobicContact CB-CE 3.57Å; E93-M207 HydrophobicContact CB-SD 4.17Å; E93-M207 HydrophobicContact CG-CE 4.05Å; E93-M207 WeakPolarHBondContact OE2-CE 3.41Å
94L98.3Very high96.8Very high2 Ų255.8 Ų55.81%0.0129%0.288CS..Hα-helixtrans-70.9-32.2179.4-71.1170.4000112.5N16 L17 I77 I90 I91 D92 P104 L206N16-L94 HydrophobicContact CB-CB 4.35Å; N16-L94 HydrophobicContact CB-CD2 4.18Å; N16-L94 VanDerWaalsContact CB-O 3.31Å; N16-L94 WeakPolarHBondContact CB-O 3.39Å; N16-L94 PolarHBondContact ND2-O 2.79Å; L17-L94 HydrophobicContact CD2-CD1 3.98Å; L17-L94 HydrophobicContact CG-CB 4.44Å; I77-L94 HydrophobicContact CD1-CD1 3.78Å; I77-L94 HydrophobicContact CG1-CD1 3.93Å; I77-L94 HydrophobicContact CG2-CD1 4.35Å; I90-L94 HydrophobicContact CG1-CD1 4.29Å; I90-L94 HydrophobicContact CG1-CG 4.47Å; I90-L94 WeakPolarHBondContact O-CB 3.34Å; I90-L94 WeakPolarHBondContact O-CG 3.32Å; I90-L94 PolarHBondContact O-N 2.96Å; I91-L94 PolarHBondContact O-N 3.34Å; D92-L94 PolarHBondContact O-N 2.96Å; L94-P104 HydrophobicContact CD2-CG 3.56Å; L94-L206 HydrophobicContact CD1-CD1 4.41Å
95L98.4Very high96.8Very high20 Ų2057.7 Ų57.711%0.10528%0.279CS..Hα-helixtrans-80-21.3176.1-65.8175.3000112.6H12 F14 L17 I91 D92 I97H12-L95 HydrophobicContact CB-CD1 4.31Å; H12-L95 HydrophobicContact CB-CD2 3.79Å; H12-L95 HydrophobicContact CB-CG 4.43Å; F14-L95 HydrophobicContact CD1-CD2 3.87Å; F14-L95 HydrophobicContact CE1-CD2 3.82Å; F14-L95 HydrophobicContact CG-CD2 4.26Å; F14-L95 HydrophobicContact CZ-CD2 4.15Å; L17-L95 HydrophobicContact CD1-CD2 3.62Å; L17-L95 HydrophobicContact CD1-CG 4.23Å; I91-L95 HydrophobicContact CG2-CD1 3.79Å; I91-L95 HydrophobicContact CG2-CG 4.32Å; I91-L95 WeakPolarHBondContact O-CB 3.45Å; I91-L95 VanDerWaalsContact O-CG 3.29Å; I91-L95 WeakPolarHBondContact O-CG 3.09Å; I91-L95 PolarHBondContact O-N 3.01Å; D92-L95 PolarHBondContact O-N 2.78Å; L95-I97 PolarHBondContact O-N 3.4Å; L95-I97 VanDerWaalsContact O-N 3.09Å
96N97.6Very high96.7Very high69 Ų6956.3 Ų56.337%0.36927%0.271SS..  trans-79.789.4176.1-171.7-26.2000111.6D92 E93 E98 K99 N100D92-N96 WeakPolarHBondContact O-CB 3.4Å; D92-N96 PolarHBondContact O-N 3.11Å; E93-N96 PolarHBondContact O-N 2.96Å; N96-E98 PolarHBondContact OD1-N 3.39Å; N96-K99 HydrophobicContact CB-CB 4.4Å; N96-K99 WeakPolarHBondContact OD1-CB 3.33Å; N96-K99 PolarHBondContact OD1-N 3.14Å; N96-N100 WeakPolarHBondContact O-CA 3.28Å; N96-N100 WeakPolarHBondContact O-CB 3.26Å; N96-N100 PolarHBondContact O-N 3.16Å
97I96.4Very high96.5Very high28 Ų2857.5 Ų57.514%0.14428%0.282CS..THydrogen-bonded Turntrans-71.2-30.3-177.9-56.1-46.1000112.9D13 R15 N16 L95 K99 N100 P101D13-I97 HydrophobicContact CB-CD1 4.43Å; D13-I97 HydrophobicContact CB-CG1 3.65Å; R15-I97 HydrophobicContact CG-CD1 3.6Å; R15-I97 HydrophobicContact CG-CG1 4.32Å; N16-I97 WeakPolarHBondContact ND2-CD1 3.42Å; L95-I97 PolarHBondContact O-N 3.4Å; L95-I97 VanDerWaalsContact O-N 3.09Å; I97-K99 VanDerWaalsContact C-N 3.32Å; I97-K99 PolarHBondContact O-N 3.02Å; I97-N100 CarbonylContact O-C 3.32Å; I97-N100 VanDerWaalsContact O-C 3.32Å; I97-N100 PolarHBondContact O-N 3.38Å; I97-P101 VanDerWaalsContact O-CA 3.23Å; I97-P101 WeakPolarHBondContact O-CA 3.28Å; I97-P101 WeakPolarHBondContact O-CD 3.4Å; I97-P101 VanDerWaalsContact O-N 3.07Å
98E95.2Very high96.4Very high193 Ų19351.7 Ų51.790%0.90226%0.258SS*.THydrogen-bonded Turntrans-62.5-42.7177.8-62.3-175.1169.800111.1N96N96-E98 PolarHBondContact OD1-N 3.39Å
99K95.9Very high96.3Very high122 Ų12250.5 Ų50.553%0.5325%0.251SS..THydrogen-bonded Turntrans-79.1-39.1175.7-171.4179.8175.7-169.20112.1E93 N96 I97 P101E93-K99 IonicContact OE1-NZ 2.65Å; E93-K99 PolarHBondContact OE1-NZ 3.06Å; E93-K99 WeakPolarHBondContact OE2-CD 3.37Å; E93-K99 VanDerWaalsContact OE2-CE 3.28Å; E93-K99 WeakPolarHBondContact OE2-CE 3.46Å; E93-K99 IonicContact OE2-NZ 2.67Å; E93-K99 PolarHBondContact OE2-NZ 3.24Å; N96-K99 HydrophobicContact CB-CB 4.4Å; N96-K99 WeakPolarHBondContact OD1-CB 3.33Å; N96-K99 PolarHBondContact OD1-N 3.14Å; I97-K99 VanDerWaalsContact C-N 3.32Å; I97-K99 PolarHBondContact O-N 3.02Å; K99-P101 WeakPolarHBondContact O-CD 3.31Å
100N95.5Very high96.2Very high13 Ų1347.8 Ų47.87%0.0724%0.24CC..  trans-127.573.3-172-59.6-64.4000111.6N16 E93 N96 I97 Q102 M207N16-N100 PolarHBondContact ND2-O 3.09Å; E93-N100 PolarHBondContact O-ND2 3.19Å; E93-N100 PolarHBondContact OE2-ND2 2.81Å; N96-N100 WeakPolarHBondContact O-CA 3.28Å; N96-N100 WeakPolarHBondContact O-CB 3.26Å; N96-N100 PolarHBondContact O-N 3.16Å; I97-N100 CarbonylContact O-C 3.32Å; I97-N100 VanDerWaalsContact O-C 3.32Å; I97-N100 PolarHBondContact O-N 3.38Å; N100-Q102 PolarHBondContact O-N 3.17Å; N100-Q102 VanDerWaalsContact O-N 3.15Å; N100-M207 HydrophobicContact CB-CE 4.4Å; N100-M207 VanDerWaalsContact ND2-CE 3.26Å; N100-M207 WeakPolarHBondContact ND2-CE 3.3Å; N100-M207 WeakPolarHBondContact OD1-CE 3.23Å
101P94.5Very high96.1Very high54 Ų5453.7 Ų53.735%0.35127%0.267SS..  trans-72-12-173.927.4-35.9000114I97 K99I97-P101 VanDerWaalsContact O-CA 3.23Å; I97-P101 WeakPolarHBondContact O-CA 3.28Å; I97-P101 WeakPolarHBondContact O-CD 3.4Å; I97-P101 VanDerWaalsContact O-N 3.07Å; K99-P101 WeakPolarHBondContact O-CD 3.31Å
102Q94.4Very high95.8Very high78 Ų7860.8 Ų60.836%0.36430%0.299SS..SBendtrans-123.7132.2-174.3-62.8178.1-46.800111.4N100 K211N100-Q102 PolarHBondContact O-N 3.17Å; N100-Q102 VanDerWaalsContact O-N 3.15Å; Q102-K211 HydrophobicContact CB-CB 3.74Å; Q102-K211 HydrophobicContact CB-CD 3.94Å; Q102-K211 HydrophobicContact CB-CG 4.4Å
103K94.9Very high95.7Very high29 Ų2961 Ų6113%0.12630%0.303CS..PPolyproline II helixtrans-65.4124.9-179.3-179.1174.9-177.2179.90111.5N16 C18 Y106 K211 C212N16-K103 HydrophobicContact CB-CB 4.46Å; N16-K103 VanDerWaalsContact O-CE 3.28Å; N16-K103 WeakPolarHBondContact O-CE 3.48Å; N16-K103 WeakPolarHBondContact O-CG 2.99Å; N16-K103 WeakPolarHBondContact OD1-CA 3.21Å; N16-K103 WeakPolarHBondContact OD1-CB 3.24Å; N16-K103 PolarHBondContact OD1-N 2.93Å; C18-K103 PolarHBondContact O-NZ 3.28Å; K103-Y106 HydrophobicContact CD-CE1 4.39Å; K103-Y106 WeakPolarHBondContact CE-OH 3.48Å; K103-Y106 HydrophobicContact CG-CE1 4.22Å; K103-Y106 PolarHBondContact NZ-OH 3Å; K103-K211 CarbonylContact O-C 3.47Å; K103-K211 WeakPolarHBondContact O-CA 3.48Å; K103-C212 HydrophobicContact CB-CB 4.4Å; K103-C212 PolarHBondContact O-N 2.89Å
104P96.1Very high95.6Very high4 Ų462.6 Ų62.63%0.02631%0.314CS..BIsolated β-bridgetrans-70.1154170.528.8-32.8000111.6L94 Y106 L206L94-P104 HydrophobicContact CD2-CG 3.56Å; P104-Y106 VanDerWaalsContact O-CD1 3.25Å; P104-Y106 WeakPolarHBondContact O-CD1 3.35Å; P104-Y106 PolarHBondContact O-N 3.39Å; P104-L206 WeakPolarHBondContact CB-O 3.5Å; P104-L206 HydrophobicContact CG-CB 4.41Å
105Q93.4Very high95.5Very high105 Ų10567.5 Ų67.549%0.49134%0.343SS..PPolyproline II helixtrans-71.7121.7177.3-76.1179.8-300112.9R209 P210Q105-R209 WeakPolarHBondContact O-CD 3.31Å; Q105-R209 PolarHBondContact O-NH1 3.26Å; Q105-P210 WeakPolarHBondContact CG-O 3.47Å; Q105-P210 PolarHBondContact N-O 2.8Å
106Y94.2Very high95.4Very high33 Ų3373.5 Ų73.513%0.12938%0.375CS..  trans-153.5154.7169.565.2-93.2000111.5N16 L17 C73 A76 I77 K103 P104 L206N16-Y106 WeakPolarHBondContact O-CE1 3.15Å; N16-Y106 PolarHBondContact O-OH 2.94Å; L17-Y106 WeakPolarHBondContact CA-OH 3.46Å; C73-Y106 HydrophobicContact CB-CE2 4.08Å; C73-Y106 VanDerWaalsContact CB-OH 3.32Å; C73-Y106 WeakPolarHBondContact CB-OH 3.39Å; C73-Y106 PolarHBondContact SG-OH 3.39Å; C73-Y106 VanDerWaalsContact SG-OH 3.39Å; A76-Y106 HydrophobicContact CB-CD2 4.29Å; A76-Y106 HydrophobicContact CB-CE2 4.38Å; I77-Y106 HydrophobicContact CD1-CD1 4.35Å; I77-Y106 HydrophobicContact CD1-CD2 4.27Å; I77-Y106 HydrophobicContact CD1-CE1 4.3Å; I77-Y106 HydrophobicContact CD1-CE2 4.24Å; I77-Y106 HydrophobicContact CD1-CG 4.35Å; K103-Y106 HydrophobicContact CD-CE1 4.39Å; K103-Y106 WeakPolarHBondContact CE-OH 3.48Å; K103-Y106 HydrophobicContact CG-CE1 4.22Å; K103-Y106 PolarHBondContact NZ-OH 3Å; P104-Y106 VanDerWaalsContact O-CD1 3.25Å; P104-Y106 WeakPolarHBondContact O-CD1 3.35Å; P104-Y106 PolarHBondContact O-N 3.39Å; Y106-L206 HydrophobicContact CD1-CD2 4.05Å; Y106-L206 HydrophobicContact CG-CD2 4.17Å
107S93.5Very high95.3Very high51 Ų5180.2 Ų80.236%0.35740%0.396SS..PPolyproline II helixtrans-81.5140.2174.1-63.20000111.4A76 E196A76-S107 VanDerWaalsContact CB-O 3.23Å; A76-S107 WeakPolarHBondContact CB-O 3.39Å; S107-E196 WeakPolarHBondContact CB-O 3.49Å; S107-E196 PolarHBondContact OG-O 3.1Å
108M94.9Very high95.2Very high34 Ų3482.9 Ų82.917%0.16741%0.411CS..PPolyproline II helixtrans-81.2163.3174.661.7-171.9174.800112.1H69 R72 E196H69-M108 HydrophobicContact CB-SD 3.8Å; R72-M108 HydrophobicContact CB-CB 4.23Å; M108-E196 WeakPolarHBondContact CE-OE2 3.4Å; M108-E196 VanDerWaalsContact CG-OE2 3.23Å; M108-E196 WeakPolarHBondContact CG-OE2 3.25Å; M108-E196 PolarHBondContact O-N 3.17Å
109A96.9Very high95.1Very high7 Ų776.2 Ų76.26%0.05839%0.385CS..BIsolated β-bridgetrans-65.5151.4170.900000110.5R72 M75 F79 F194R72-A109 PolarHBondContact NE-O 2.92Å; R72-A109 PolarHBondContact NH2-O 3.32Å; R72-A109 WeakPolarHBondContact O-CB 3.42Å; R72-A109 PolarHBondContact O-N 3.36Å; R72-A109 VanDerWaalsContact O-N 3.08Å; M75-A109 HydrophobicContact CB-CB 4.02Å; M75-A109 HydrophobicContact CG-CB 4.11Å; F79-A109 HydrophobicContact CD2-CB 4.49Å; F79-A109 HydrophobicContact CE2-CB 4Å; A109-F194 CarbonylContact C-O 3.56Å; A109-F194 VanDerWaalsContact CA-O 3.23Å; A109-F194 WeakPolarHBondContact CA-O 3.5Å
110V96.5Very high94.9Very high29 Ų2978.7 Ų78.718%0.17640%0.396CS..PPolyproline II helixtrans-62.4159.7174.7-61.90000111.8F112 P113 F194 E196V110-F112 HydrophobicContact CB-CD1 4.36Å; V110-F112 HydrophobicContact CG2-CD1 3.74Å; V110-F112 HydrophobicContact CG2-CE1 3.57Å; V110-P113 HydrophobicContact CG2-CG 4.03Å; V110-F194 HydrophobicContact CG2-CB 4.48Å; V110-F194 PolarHBondContact N-O 3.3Å; V110-E196 HydrophobicContact CG1-CG 4.03Å
111E94.9Very high94.7Very high134 Ų13484 Ų8463%0.62642%0.419SS*.SBendtrans-85.1-34.4-169.965.5-169.8179.800115.6R72 P113 L114R72-E111 IonicContact NH1-OE2 3.09Å; E111-P113 VanDerWaalsContact C-N 3.31Å; E111-P113 VanDerWaalsContact O-N 3.14Å; E111-L114 WeakPolarHBondContact O-CB 3.23Å; E111-L114 PolarHBondContact O-N 3.13Å
112F94.3Very high94.5Very high149 Ų14989.7 Ų89.765%0.65444%0.44SS*.THydrogen-bonded Turntrans-58.7-27.7-170.282.6-94.3000115.9V110 L114 F194V110-F112 HydrophobicContact CB-CD1 4.36Å; V110-F112 HydrophobicContact CG2-CD1 3.74Å; V110-F112 HydrophobicContact CG2-CE1 3.57Å; F112-L114 VanDerWaalsContact C-N 3.32Å; F112-F194 HydrophobicContact CZ-CD1 4.21Å; F112-F194 HydrophobicContact CZ-CE1 4.03Å
113P94.9Very high94.5Very high71 Ų7194.1 Ų94.146%0.46147%0.466SS..THydrogen-bonded Turntrans-81.6-8.5176-11.329.1000113.6V110 E111 V115V110-P113 HydrophobicContact CG2-CG 4.03Å; E111-P113 VanDerWaalsContact C-N 3.31Å; E111-P113 VanDerWaalsContact O-N 3.14Å; P113-V115 PolarHBondContact O-N 3.18Å
114L97.1Very high94.5Very high90 Ų9096.4 Ų96.447%0.47148%0.483SS..  trans-83.4114.1179.7179.661000109.6V71 R72 E111 F112V71-L114 HydrophobicContact CB-CD1 4.1Å; V71-L114 HydrophobicContact CB-CD2 4.4Å; V71-L114 HydrophobicContact CG1-CD1 3.61Å; R72-L114 HydrophobicContact CG-CD2 3.82Å; E111-L114 WeakPolarHBondContact O-CB 3.23Å; E111-L114 PolarHBondContact O-N 3.13Å; F112-L114 VanDerWaalsContact C-N 3.32Å
115V96Very high94.3Very high105 Ų105105.2 Ų105.264%0.63652%0.521SS*.  trans-120.9129.7-179.1-177.30000109.3P113 Y117P113-V115 PolarHBondContact O-N 3.18Å; V115-Y117 PolarHBondContact O-N 3.41Å
116L96.8Very high94.2Very high145 Ų145106.9 Ų106.976%0.75952%0.523SS*.  trans-76.1101.6164177.362.4000107.6
117Y94.9Very high94.1Very high211 Ų211113 Ų11383%0.82756%0.556SS**  trans-85.9-43.1-173-173.5-100.5000113.2V115V115-Y117 PolarHBondContact O-N 3.41Å
118D93.5Very high94.1Very high84 Ų84118.7 Ų118.745%0.44957%0.57SS.*  trans-148.7151-175.2-171.119.8000111.3K120D118-K120 WeakPolarHBondContact OD2-CE 3.29Å; D118-K120 IonicContact OD2-NZ 2.94Å; D118-K120 PolarHBondContact OD2-NZ 3.28Å
119C93.8Very high94.2Very high52 Ų52121.6 Ų121.635%0.35159%0.587SS.*  trans-128.9118.8174.2-71.80000108.9F121C119-F121 HydrophobicContact CB-CD2 4.22Å; C119-F121 HydrophobicContact CB-CE2 3.44Å; C119-F121 VanDerWaalsContact CB-CE2 3.44Å; C119-F121 HydrophobicContact CB-CZ 4.02Å; C119-F121 WeakPolarHBondContact O-CD2 3.38Å
120K90.9Very high94.2Very high174 Ų174127.8 Ų127.876%0.75761%0.614SS**  trans-85.3123.8178.5-60.6-56.4-169.4-166.60110.5D118D118-K120 WeakPolarHBondContact OD2-CE 3.29Å; D118-K120 IonicContact OD2-NZ 2.94Å; D118-K120 PolarHBondContact OD2-NZ 3.28Å
121F91.3Very high94.3Very high126 Ų126133.7 Ų133.755%0.55364%0.64SS**  trans-124.1131.4171.6-61.3-85.1000109.1C119 V124 W126C119-F121 HydrophobicContact CB-CD2 4.22Å; C119-F121 HydrophobicContact CB-CE2 3.44Å; C119-F121 VanDerWaalsContact CB-CE2 3.44Å; C119-F121 HydrophobicContact CB-CZ 4.02Å; C119-F121 WeakPolarHBondContact O-CD2 3.38Å; F121-V124 HydrophobicContact CB-CB 3.97Å; F121-V124 HydrophobicContact CB-CG2 3.68Å; F121-W126 HydrophobicContact CD2-CH2 4.43Å; F121-W126 AromaticContact CD2-CZ2 3.81Å; F121-W126 HydrophobicContact CD2-CZ2 3.81Å; F121-W126 HydrophobicContact CE2-CH2 4.31Å; F121-W126 HydrophobicContact CE2-CZ2 4.05Å
122E91.9Very high94.4Very high173 Ų173129.4 Ų129.481%0.80863%0.628SS**THydrogen-bonded Turntrans-74.9142.2173.8-65.2-178.9-178.500110V124E122-V124 PolarHBondContact O-N 3.25Å; E122-V124 VanDerWaalsContact O-N 3.11Å
123N93.5Very high94.5Very high170 Ų170126.5 Ų126.591%0.90962%0.616SS**THydrogen-bonded Turntrans60.121.1173.5-49.3-50.1000115.3
124V94.4Very high94.7Very high78 Ų78128 Ų12847%0.47362%0.617SS.*  trans-103.8127.6173.1177.80000109.8F121 E122F121-V124 HydrophobicContact CB-CB 3.97Å; F121-V124 HydrophobicContact CB-CG2 3.68Å; E122-V124 PolarHBondContact O-N 3.25Å; E122-V124 VanDerWaalsContact O-N 3.11Å
125K92Very high94.7Very high189 Ų189130.5 Ų130.582%0.82262%0.624SS**  trans-99.1112.5169.8-175.9179.4177.2-176.80109
126W91.4Very high94.8Very high140 Ų140129.2 Ų129.253%0.5361%0.614SS.*  trans-66.4136.2173-65.9103.4000110.8F121 Y128F121-W126 HydrophobicContact CD2-CH2 4.43Å; F121-W126 AromaticContact CD2-CZ2 3.81Å; F121-W126 HydrophobicContact CD2-CZ2 3.81Å; F121-W126 HydrophobicContact CE2-CH2 4.31Å; F121-W126 HydrophobicContact CE2-CZ2 4.05Å; W126-Y128 HydrophobicContact CB-CD2 4.32Å; W126-Y128 HydrophobicContact CB-CE2 3.5Å; W126-Y128 VanDerWaalsContact CB-CE2 3.5Å
127I92.5Very high94.8Very high161 Ų161125.9 Ų125.983%0.82660%0.596SS**  trans-109122.4173.3-57.2173.7000106.3
128Y93.3Very high95Very high170 Ų170119 Ų11967%0.66758%0.576SS**  trans-106.2126.3-179.7-61.7-86.5000108.8W126W126-Y128 HydrophobicContact CB-CD2 4.32Å; W126-Y128 HydrophobicContact CB-CE2 3.5Å; W126-Y128 VanDerWaalsContact CB-CE2 3.5Å
129D97.3Very high95.2Very high95 Ų95119 Ų11951%0.50857%0.573SS.*  trans-87.9136.5172.3175.3-104000110E131 A132 Q133D129-E131 PolarHBondContact OD1-N 3.44Å; D129-E131 VanDerWaalsContact OD1-N 3.14Å; D129-A132 HydrophobicContact CB-CB 4.02Å; D129-A132 WeakPolarHBondContact OD1-CB 3.22Å; D129-A132 PolarHBondContact OD1-N 3.13Å; D129-Q133 VanDerWaalsContact O-CB 3.29Å; D129-Q133 WeakPolarHBondContact O-CB 3.23Å; D129-Q133 PolarHBondContact O-N 3.39Å
130Q97.7Very high95.4Very high137 Ų137121.9 Ų121.964%0.6459%0.585SS**Hα-helixtrans-68.2-45.2-175.2-179.4178.2-16.800111.5A132 Q133 E134Q130-A132 PolarHBondContact O-N 3.18Å; Q130-Q133 WeakPolarHBondContact O-CB 3.41Å; Q130-Q133 PolarHBondContact O-N 3.17Å; Q130-E134 HydrophobicContact CG-CG 4.42Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.49Å; Q130-E134 PolarHBondContact NE2-OE1 2.91Å; Q130-E134 WeakPolarHBondContact O-CG 3.12Å; Q130-E134 PolarHBondContact O-N 3.43Å
131E97.8Very high95.7Very high153 Ų153119.4 Ų119.472%0.71558%0.576SS**Hα-helixtrans-65.2-42.9-177.8-62.8-177.8-179.600110.7D129 Q133 E134 F135D129-E131 PolarHBondContact OD1-N 3.44Å; D129-E131 VanDerWaalsContact OD1-N 3.14Å; E131-Q133 VanDerWaalsContact C-N 3.32Å; E131-Q133 PolarHBondContact O-N 3.37Å; E131-E134 PolarHBondContact O-N 2.73Å; E131-F135 VanDerWaalsContact O-CB 3.31Å; E131-F135 WeakPolarHBondContact O-CB 3.49Å; E131-F135 PolarHBondContact O-N 3.23Å
132A96.9Very high96.1Very high45 Ų45118.7 Ų118.737%0.37257%0.574SS.*Hα-helixtrans-61.3-40.7173.600000112D129 Q130 N136D129-A132 HydrophobicContact CB-CB 4.02Å; D129-A132 WeakPolarHBondContact OD1-CB 3.22Å; D129-A132 PolarHBondContact OD1-N 3.13Å; Q130-A132 PolarHBondContact O-N 3.18Å; A132-N136 WeakPolarHBondContact O-CB 3.33Å; A132-N136 PolarHBondContact O-N 3.21Å; A132-N136 PolarHBondContact O-ND2 3.26Å; A132-N136 VanDerWaalsContact O-ND2 3.1Å
133Q96.6Very high96.3Very high88 Ų88113.7 Ų113.741%0.41155%0.553SS.*Hα-helixtrans-65.4-46177.8-173.265.61600111.5D129 Q130 E131 N136 I137D129-Q133 VanDerWaalsContact O-CB 3.29Å; D129-Q133 WeakPolarHBondContact O-CB 3.23Å; D129-Q133 PolarHBondContact O-N 3.39Å; Q130-Q133 WeakPolarHBondContact O-CB 3.41Å; Q130-Q133 PolarHBondContact O-N 3.17Å; E131-Q133 VanDerWaalsContact C-N 3.32Å; E131-Q133 PolarHBondContact O-N 3.37Å; Q133-N136 PolarHBondContact O-N 2.91Å; Q133-I137 HydrophobicContact CG-CD1 3.98Å; Q133-I137 WeakPolarHBondContact O-CB 3.32Å; Q133-I137 VanDerWaalsContact O-CG1 3.29Å; Q133-I137 WeakPolarHBondContact O-CG1 3.35Å; Q133-I137 PolarHBondContact O-N 3.07Å
134E98.2Very high96.5Very high103 Ų103114.4 Ų114.448%0.48154%0.543SS..Hα-helixtrans-62.1-43.1176.6-73.5176.7-169.200111.6Q130 E131 I137 T138Q130-E134 HydrophobicContact CG-CG 4.42Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.49Å; Q130-E134 PolarHBondContact NE2-OE1 2.91Å; Q130-E134 WeakPolarHBondContact O-CG 3.12Å; Q130-E134 PolarHBondContact O-N 3.43Å; E131-E134 PolarHBondContact O-N 2.73Å; E134-I137 PolarHBondContact O-N 2.92Å; E134-T138 WeakPolarHBondContact O-CB 3.42Å; E134-T138 PolarHBondContact O-N 3.42Å; E134-T138 PolarHBondContact O-OG1 3.03Å
135F98.1Very high96.6Very high141 Ų141112.8 Ų112.862%0.61854%0.537SS*.Hα-helixtrans-58.7-50.5174.6176.6-92.4000111.6E131 I137 T138 H139E131-F135 VanDerWaalsContact O-CB 3.31Å; E131-F135 WeakPolarHBondContact O-CB 3.49Å; E131-F135 PolarHBondContact O-N 3.23Å; F135-I137 PolarHBondContact O-N 3.26Å; F135-T138 PolarHBondContact O-N 3.08Å; F135-H139 WeakPolarHBondContact O-CB 3.28Å; F135-H139 PolarHBondContact O-N 3.32Å
136N97.1Very high96.9Very high79 Ų79108.2 Ų108.242%0.42252%0.522SS..Hα-helixtrans-62-45.3-179.4-74.6-31.4000111.9A132 Q133 H139 L140A132-N136 WeakPolarHBondContact O-CB 3.33Å; A132-N136 PolarHBondContact O-N 3.21Å; A132-N136 PolarHBondContact O-ND2 3.26Å; A132-N136 VanDerWaalsContact O-ND2 3.1Å; Q133-N136 PolarHBondContact O-N 2.91Å; N136-H139 PolarHBondContact O-N 3.23Å; N136-L140 WeakPolarHBondContact O-CB 3.38Å; N136-L140 VanDerWaalsContact O-CG 3.27Å; N136-L140 WeakPolarHBondContact O-CG 3.42Å; N136-L140 PolarHBondContact O-N 3.25Å
137I97.8Very high97.1Very high75 Ų75106.7 Ų106.739%0.38552%0.521SS..Hα-helixtrans-60.3-49177.1-70.9169.3000110.2Q133 E134 F135 H139 L140 Q141Q133-I137 HydrophobicContact CG-CD1 3.98Å; Q133-I137 WeakPolarHBondContact O-CB 3.32Å; Q133-I137 VanDerWaalsContact O-CG1 3.29Å; Q133-I137 WeakPolarHBondContact O-CG1 3.35Å; Q133-I137 PolarHBondContact O-N 3.07Å; E134-I137 PolarHBondContact O-N 2.92Å; F135-I137 PolarHBondContact O-N 3.26Å; I137-H139 VanDerWaalsContact C-N 3.34Å; I137-H139 PolarHBondContact O-N 2.88Å; I137-L140 PolarHBondContact O-N 3.39Å; I137-Q141 HydrophobicContact CG2-CG 4.35Å; I137-Q141 WeakPolarHBondContact O-CB 3.49Å; I137-Q141 VanDerWaalsContact O-CG 3.29Å; I137-Q141 WeakPolarHBondContact O-CG 3.4Å; I137-Q141 PolarHBondContact O-N 3.41Å
138T98.4Very high97.1Very high65 Ų65100.7 Ų100.740%0.39950%0.495SS..Hα-helixtrans-60-45.8-179.8-58.50000111.1E134 F135 Q141 Q142E134-T138 WeakPolarHBondContact O-CB 3.42Å; E134-T138 PolarHBondContact O-N 3.42Å; E134-T138 PolarHBondContact O-OG1 3.03Å; F135-T138 PolarHBondContact O-N 3.08Å; T138-Q141 PolarHBondContact O-N 3.03Å; T138-Q142 WeakPolarHBondContact O-CG 3.01Å; T138-Q142 PolarHBondContact O-N 3.24Å
139H98.2Very high97.2Very high85 Ų8596.8 Ų96.839%0.39449%0.489SS..Hα-helixtrans-61.8-46.6178.7-176.757.5000112F135 N136 I137 Q141 Q142 L143F135-H139 WeakPolarHBondContact O-CB 3.28Å; F135-H139 PolarHBondContact O-N 3.32Å; N136-H139 PolarHBondContact O-N 3.23Å; I137-H139 VanDerWaalsContact C-N 3.34Å; I137-H139 PolarHBondContact O-N 2.88Å; H139-Q141 VanDerWaalsContact C-N 3.35Å; H139-Q141 PolarHBondContact O-N 2.98Å; H139-Q142 PolarHBondContact O-N 2.79Å; H139-L143 WeakPolarHBondContact NE2-CD1 3.31Å; H139-L143 WeakPolarHBondContact O-CG 3.28Å; H139-L143 PolarHBondContact O-N 2.93Å
140L97.6Very high97.2Very high113 Ų11398.3 Ų98.359%0.59249%0.49SS*.Hα-helixtrans-64.6-37.5178-70.7173.5000112.3N136 I137 L143 W144N136-L140 WeakPolarHBondContact O-CB 3.38Å; N136-L140 VanDerWaalsContact O-CG 3.27Å; N136-L140 WeakPolarHBondContact O-CG 3.42Å; N136-L140 PolarHBondContact O-N 3.25Å; I137-L140 PolarHBondContact O-N 3.39Å; L140-L143 PolarHBondContact O-N 2.88Å; L140-W144 VanDerWaalsContact O-CB 3.31Å; L140-W144 WeakPolarHBondContact O-CB 3.39Å; L140-W144 PolarHBondContact O-N 2.65Å
141Q98.2Very high96.9Very high121 Ų12196.1 Ų96.157%0.56549%0.487SS*.Hα-helixtrans-63-42174.2-75.6175.4-12.800112.1I137 T138 H139 W144 A145I137-Q141 HydrophobicContact CG2-CG 4.35Å; I137-Q141 WeakPolarHBondContact O-CB 3.49Å; I137-Q141 VanDerWaalsContact O-CG 3.29Å; I137-Q141 WeakPolarHBondContact O-CG 3.4Å; I137-Q141 PolarHBondContact O-N 3.41Å; T138-Q141 PolarHBondContact O-N 3.03Å; H139-Q141 VanDerWaalsContact C-N 3.35Å; H139-Q141 PolarHBondContact O-N 2.98Å; Q141-W144 PolarHBondContact O-N 3.04Å; Q141-A145 WeakPolarHBondContact O-CB 3.22Å; Q141-A145 PolarHBondContact O-N 3.33Å
142Q98.4Very high96.6Very high112 Ų11294.7 Ų94.752%0.52348%0.48SS..Hα-helixtrans-64.6-44.6176.1-71172.6-5.100112T138 H139 W144 A145 N146T138-Q142 WeakPolarHBondContact O-CG 3.01Å; T138-Q142 PolarHBondContact O-N 3.24Å; H139-Q142 PolarHBondContact O-N 2.79Å; Q142-W144 VanDerWaalsContact C-N 3.35Å; Q142-A145 PolarHBondContact O-N 3.1Å; Q142-N146 PolarHBondContact O-N 2.89Å; Q142-N146 VanDerWaalsContact O-N 3.1Å; Q142-N146 PolarHBondContact O-ND2 3.08Å
143L97.8Very high96.5Very high67 Ų6797.3 Ų97.335%0.35149%0.485SS..Hα-helixtrans-60.5-46.1174.2-72.2177.6000111H139 L140 A145 N146 H147H139-L143 WeakPolarHBondContact NE2-CD1 3.31Å; H139-L143 WeakPolarHBondContact O-CG 3.28Å; H139-L143 PolarHBondContact O-N 2.93Å; L140-L143 PolarHBondContact O-N 2.88Å; L143-A145 PolarHBondContact O-N 2.88Å; L143-N146 PolarHBondContact O-N 2.86Å; L143-H147 PolarHBondContact O-CD2 3.46Å; L143-H147 PolarHBondContact O-N 2.98Å
144W96.6Very high96.4Very high186 Ų18698.2 Ų98.271%0.70549%0.493SS*.Hα-helixtrans-57.4-49.917717888.9000111.4L140 Q141 Q142 N146 H147 A148L140-W144 VanDerWaalsContact O-CB 3.31Å; L140-W144 WeakPolarHBondContact O-CB 3.39Å; L140-W144 PolarHBondContact O-N 2.65Å; Q141-W144 PolarHBondContact O-N 3.04Å; Q142-W144 VanDerWaalsContact C-N 3.35Å; W144-N146 VanDerWaalsContact C-N 3.32Å; W144-N146 PolarHBondContact O-N 3.11Å; W144-H147 PolarHBondContact O-N 3.25Å; W144-A148 HydrophobicContact CD2-CB 4.34Å; W144-A148 HydrophobicContact CE3-CB 4.46Å; W144-A148 HydrophobicContact CH2-CB 4.25Å; W144-A148 HydrophobicContact CZ2-CB 4.13Å; W144-A148 HydrophobicContact CZ3-CB 4.41Å; W144-A148 VanDerWaalsContact O-CB 3.23Å; W144-A148 WeakPolarHBondContact O-CB 3.12Å; W144-A148 PolarHBondContact O-N 3.19Å
145A97.3Very high96Very high43 Ų4397 Ų9736%0.35548%0.484SS..Hα-helixtrans-58.1-45.3-179.900000111.6Q141 Q142 L143 H147 A148 V149Q141-A145 WeakPolarHBondContact O-CB 3.22Å; Q141-A145 PolarHBondContact O-N 3.33Å; Q142-A145 PolarHBondContact O-N 3.1Å; L143-A145 PolarHBondContact O-N 2.88Å; A145-H147 PolarHBondContact O-N 2.92Å; A145-A148 PolarHBondContact O-N 2.73Å; A145-V149 WeakPolarHBondContact O-CG2 3.01Å; A145-V149 PolarHBondContact O-N 3.03Å
146N98Very high95.6Very high94 Ų9492.8 Ų92.850%0.50347%0.472SS..Hα-helixtrans-60.9-45177-76.6-43.7000112.7Q142 L143 W144 K150Q142-N146 PolarHBondContact O-N 2.89Å; Q142-N146 VanDerWaalsContact O-N 3.1Å; Q142-N146 PolarHBondContact O-ND2 3.08Å; L143-N146 PolarHBondContact O-N 2.86Å; W144-N146 VanDerWaalsContact C-N 3.32Å; W144-N146 PolarHBondContact O-N 3.11Å; N146-K150 VanDerWaalsContact O-CG 3.3Å; N146-K150 WeakPolarHBondContact O-CG 3.45Å; N146-K150 PolarHBondContact O-N 2.81Å
147H95.1Very high95.5Very high108 Ų10894.4 Ų94.450%0.548%0.478SS..Hα-helixtrans-73.4-34.5179.9-72.5-61.9000112.7L143 W144 A145 K150 T151L143-H147 PolarHBondContact O-CD2 3.46Å; L143-H147 PolarHBondContact O-N 2.98Å; W144-H147 PolarHBondContact O-N 3.25Å; A145-H147 PolarHBondContact O-N 2.92Å; H147-K150 PolarHBondContact O-N 2.92Å; H147-T151 VanDerWaalsContact O-CB 3.3Å; H147-T151 WeakPolarHBondContact O-CB 3.23Å; H147-T151 PolarHBondContact O-N 3.01Å; H147-T151 PolarHBondContact O-OG1 3.22Å
148A93Very high95.2Very high34 Ų3494.2 Ų94.228%0.28148%0.478SS..Hα-helixtrans-62.6-47.8175.900000111W144 A145 T151 H152W144-A148 HydrophobicContact CD2-CB 4.34Å; W144-A148 HydrophobicContact CE3-CB 4.46Å; W144-A148 HydrophobicContact CH2-CB 4.25Å; W144-A148 HydrophobicContact CZ2-CB 4.13Å; W144-A148 HydrophobicContact CZ3-CB 4.41Å; W144-A148 VanDerWaalsContact O-CB 3.23Å; W144-A148 WeakPolarHBondContact O-CB 3.12Å; W144-A148 PolarHBondContact O-N 3.19Å; A145-A148 PolarHBondContact O-N 2.73Å; A148-T151 PolarHBondContact O-N 2.8Å; A148-H152 WeakPolarHBondContact O-CB 3.23Å; A148-H152 PolarHBondContact O-N 3.23Å
149V96.1Very high94.7Very high89 Ų8995.5 Ų95.554%0.53948%0.479SS..Hα-helixtrans-59.3-49.9175.7171.90000110.9A145 T151 H152 M153A145-V149 WeakPolarHBondContact O-CG2 3.01Å; A145-V149 PolarHBondContact O-N 3.03Å; V149-T151 VanDerWaalsContact C-N 3.33Å; V149-T151 PolarHBondContact O-N 2.94Å; V149-H152 PolarHBondContact O-N 3.01Å; V149-M153 HydrophobicContact CG1-CG 4.38Å; V149-M153 HydrophobicContact CG1-SD 4.05Å; V149-M153 VanDerWaalsContact O-CG 3.3Å; V149-M153 WeakPolarHBondContact O-CG 3.22Å; V149-M153 PolarHBondContact O-N 3.47Å
150K96.4Very high94.3Very high126 Ų12693.3 Ų93.355%0.54848%0.48SS..Hα-helixtrans-59.2-42.9179-72172.3-176.5176.60112.3N146 H147 L154N146-K150 VanDerWaalsContact O-CG 3.3Å; N146-K150 WeakPolarHBondContact O-CG 3.45Å; N146-K150 PolarHBondContact O-N 2.81Å; H147-K150 PolarHBondContact O-N 2.92Å; K150-L154 WeakPolarHBondContact O-CG 3.43Å; K150-L154 PolarHBondContact O-N 3.21Å
151T91.6Very high94.1Very high92 Ų9292.7 Ų92.756%0.56448%0.477SS*.Hα-helixtrans-64.9-45.1178.4-57.90000110.9H147 A148 V149 L154 Y155H147-T151 VanDerWaalsContact O-CB 3.3Å; H147-T151 WeakPolarHBondContact O-CB 3.23Å; H147-T151 PolarHBondContact O-N 3.01Å; H147-T151 PolarHBondContact O-OG1 3.22Å; A148-T151 PolarHBondContact O-N 2.8Å; V149-T151 VanDerWaalsContact C-N 3.33Å; V149-T151 PolarHBondContact O-N 2.94Å; T151-L154 PolarHBondContact O-N 2.77Å; T151-Y155 WeakPolarHBondContact O-CB 3.43Å; T151-Y155 PolarHBondContact O-N 3.14Å
152H91.1Very high93.7Very high122 Ų12290.4 Ų90.457%0.56547%0.468SS*.Hα-helixtrans-66-38.8179.3-173.872.6000112.8A148 V149 L154 Y155 S156A148-H152 WeakPolarHBondContact O-CB 3.23Å; A148-H152 PolarHBondContact O-N 3.23Å; V149-H152 PolarHBondContact O-N 3.01Å; H152-L154 PolarHBondContact O-N 3.41Å; H152-Y155 PolarHBondContact O-N 2.93Å; H152-S156 WeakPolarHBondContact O-CB 3.46Å; H152-S156 PolarHBondContact O-N 3.47Å; H152-S156 PolarHBondContact O-OG 3Å
153M95.8Very high93.3Very high100 Ų10089.1 Ų89.149%0.49347%0.468SS..Hα-helixtrans-57.4-48.1172.7-73.517668.100111.2V149 S156 M157V149-M153 HydrophobicContact CG1-CG 4.38Å; V149-M153 HydrophobicContact CG1-SD 4.05Å; V149-M153 VanDerWaalsContact O-CG 3.3Å; V149-M153 WeakPolarHBondContact O-CG 3.22Å; V149-M153 PolarHBondContact O-N 3.47Å; M153-S156 PolarHBondContact O-N 3.25Å; M153-M157 HydrophobicContact CE-CE 4.45Å; M153-M157 VanDerWaalsContact O-CG 3.28Å; M153-M157 WeakPolarHBondContact O-CG 3.44Å; M153-M157 PolarHBondContact O-N 3.06Å
154L93.4Very high93Very high108 Ų10889 Ų8957%0.56547%0.47SS*.Hα-helixtrans-63.7-42.6177.8-69.8171.3000112K150 T151 H152 S156 M157 L158K150-L154 WeakPolarHBondContact O-CG 3.43Å; K150-L154 PolarHBondContact O-N 3.21Å; T151-L154 PolarHBondContact O-N 2.77Å; H152-L154 PolarHBondContact O-N 3.41Å; L154-S156 PolarHBondContact O-N 3.44Å; L154-M157 PolarHBondContact O-N 2.97Å; L154-L158 WeakPolarHBondContact O-CG 3Å; L154-L158 PolarHBondContact O-N 2.71Å
155Y89.4Confident92.7Very high78 Ų7883.4 Ų83.431%0.30646%0.457SS..Hα-helixtrans-60.3-46.2177.2-173.2-103.9000111.5F54 T151 H152 M157 L158 Q159F54-Y155 AromaticContact CD2-CD2 3.83Å; F54-Y155 HydrophobicContact CD2-CD2 3.83Å; F54-Y155 AromaticContact CD2-CE2 3.62Å; F54-Y155 HydrophobicContact CD2-CE2 3.62Å; F54-Y155 AromaticContact CE2-CD2 3.89Å; F54-Y155 HydrophobicContact CE2-CD2 3.89Å; F54-Y155 AromaticContact CE2-CE2 3.76Å; F54-Y155 HydrophobicContact CE2-CE2 3.76Å; T151-Y155 WeakPolarHBondContact O-CB 3.43Å; T151-Y155 PolarHBondContact O-N 3.14Å; H152-Y155 PolarHBondContact O-N 2.93Å; Y155-M157 VanDerWaalsContact C-N 3.34Å; Y155-M157 PolarHBondContact O-N 2.6Å; Y155-L158 PolarHBondContact O-N 2.81Å; Y155-Q159 HydrophobicContact CD1-CG 4.29Å; Y155-Q159 HydrophobicContact CE1-CG 4Å; Y155-Q159 WeakPolarHBondContact O-CG 3.36Å; Y155-Q159 PolarHBondContact O-N 3.18Å; Y155-Q159 PolarHBondContact OH-NE2 3.21Å
156S91.1Very high92.3Very high51 Ų5182.9 Ų82.936%0.35745%0.45SS..Hα-helixtrans-61.9-41176.9-57.50000112.1H152 M153 L154 Q159 G160H152-S156 WeakPolarHBondContact O-CB 3.46Å; H152-S156 PolarHBondContact O-N 3.47Å; H152-S156 PolarHBondContact O-OG 3Å; M153-S156 PolarHBondContact O-N 3.25Å; L154-S156 PolarHBondContact O-N 3.44Å; S156-Q159 PolarHBondContact O-N 2.94Å; S156-G160 PolarHBondContact O-N 3.09Å
157M94.4Very high91.7Very high113 Ų11382.9 Ų82.956%0.55746%0.455SS*.Hα-helixtrans-62.9-42.2174.8-71.2174.2-176.300111.9M153 L154 Y155 G160 L161M153-M157 HydrophobicContact CE-CE 4.45Å; M153-M157 VanDerWaalsContact O-CG 3.28Å; M153-M157 WeakPolarHBondContact O-CG 3.44Å; M153-M157 PolarHBondContact O-N 3.06Å; L154-M157 PolarHBondContact O-N 2.97Å; Y155-M157 VanDerWaalsContact C-N 3.34Å; Y155-M157 PolarHBondContact O-N 2.6Å; M157-G160 PolarHBondContact O-N 3.46Å; M157-L161 WeakPolarHBondContact O-CG 3.31Å; M157-L161 PolarHBondContact O-N 2.82Å
158L90.6Very high90.4Very high72 Ų7280.4 Ų80.438%0.37745%0.449SS..Hα-helixtrans-65.4-43.4177.6-71.4167000111.8F54 L154 Y155 G160 L161 D162F54-L158 HydrophobicContact CE1-CD1 3.86Å; F54-L158 HydrophobicContact CZ-CD1 3.62Å; L154-L158 WeakPolarHBondContact O-CG 3Å; L154-L158 PolarHBondContact O-N 2.71Å; Y155-L158 PolarHBondContact O-N 2.81Å; L158-G160 VanDerWaalsContact C-N 3.29Å; L158-G160 PolarHBondContact O-N 2.95Å; L158-L161 WeakPolarHBondContact O-CB 3.5Å; L158-L161 PolarHBondContact O-N 3.22Å; L158-D162 PolarHBondContact O-N 2.96Å
159Q88.1Confident88.9Confident92 Ų9281.6 Ų81.643%0.4346%0.464SS..Hα-helixtrans-60.1-40173.8-71.4-174.9-44.600112.1Y155 S156 L161 D162Y155-Q159 HydrophobicContact CD1-CG 4.29Å; Y155-Q159 HydrophobicContact CE1-CG 4Å; Y155-Q159 WeakPolarHBondContact O-CG 3.36Å; Y155-Q159 PolarHBondContact O-N 3.18Å; Y155-Q159 PolarHBondContact OH-NE2 3.21Å; S156-Q159 PolarHBondContact O-N 2.94Å; Q159-L161 VanDerWaalsContact C-N 3.29Å; Q159-L161 PolarHBondContact O-N 3.46Å; Q159-D162 PolarHBondContact O-N 3.49Å
160G91.3Very high87.1Confident39 Ų3986.3 Ų86.340%0.40249%0.485SS..Hα-helixtrans-64.1-32.617400000113.3S156 M157 L158 T163S156-G160 PolarHBondContact O-N 3.09Å; M157-G160 PolarHBondContact O-N 3.46Å; L158-G160 VanDerWaalsContact C-N 3.29Å; L158-G160 PolarHBondContact O-N 2.95Å; G160-T163 PolarHBondContact O-OG1 3.2Å; G160-T163 VanDerWaalsContact O-OG1 3.1Å
161L91.8Very high85.2Confident100 Ų10082.5 Ų82.552%0.52448%0.481SS..Hα-helixtrans-73.1-34.1174.1-70.1174000112.3M157 L158 Q159 T163 V164 W180M157-L161 WeakPolarHBondContact O-CG 3.31Å; M157-L161 PolarHBondContact O-N 2.82Å; L158-L161 WeakPolarHBondContact O-CB 3.5Å; L158-L161 PolarHBondContact O-N 3.22Å; Q159-L161 VanDerWaalsContact C-N 3.29Å; Q159-L161 PolarHBondContact O-N 3.46Å; L161-T163 PolarHBondContact O-N 3.15Å; L161-V164 WeakPolarHBondContact O-CB 3.31Å; L161-V164 WeakPolarHBondContact O-CG2 3.34Å; L161-V164 PolarHBondContact O-N 2.83Å; L161-V164 VanDerWaalsContact O-N 3.14Å; L161-W180 WeakPolarHBondContact O-CB 3.38Å
162D89.4Confident83.5Confident73 Ų7385.1 Ų85.139%0.3950%0.5SS..Hα-helixtrans-63.3-27.4179.2-78.3-22.1000113L158 Q159 V164 W180 G181L158-D162 PolarHBondContact O-N 2.96Å; Q159-D162 PolarHBondContact O-N 3.49Å; D162-V164 VanDerWaalsContact C-N 3.34Å; D162-W180 PolarHBondContact O-N 3Å; D162-W180 VanDerWaalsContact O-N 3.14Å; D162-G181 PolarHBondContact O-N 3.47Å
163T90.6Very high81.7Confident84 Ų8489.1 Ų89.152%0.51552%0.515SS..THydrogen-bonded Turntrans-85.9-4177.964.30000113.7G160 L161 P165G160-T163 PolarHBondContact O-OG1 3.2Å; G160-T163 VanDerWaalsContact O-OG1 3.1Å; L161-T163 PolarHBondContact O-N 3.15Å; T163-P165 WeakPolarHBondContact O-CD 3.27Å
164V91.8Very high80.1Confident65 Ų6590.8 Ų90.839%0.39452%0.524SS..  trans-68.6123.4-179.91770000109.7L161 D162 V166 W180L161-V164 WeakPolarHBondContact O-CB 3.31Å; L161-V164 WeakPolarHBondContact O-CG2 3.34Å; L161-V164 PolarHBondContact O-N 2.83Å; L161-V164 VanDerWaalsContact O-N 3.14Å; D162-V164 VanDerWaalsContact C-N 3.34Å; V164-V166 PolarHBondContact O-N 3.14Å; V164-W180 PolarHBondContact O-N 3.39Å
165P90.3Very high78.4Confident68 Ų6893.9 Ų93.944%0.44254%0.541SS..EExtended strand (participates in β ladder)trans-75.3126.6177.330.5-33.7000110.3T163 M177T163-P165 WeakPolarHBondContact O-CD 3.27Å; P165-M177 HydrophobicContact CB-CB 4.35Å; P165-M177 HydrophobicContact CB-CE 3.99Å; P165-M177 HydrophobicContact CB-CG 3.92Å; P165-M177 HydrophobicContact CB-SD 4Å; P165-M177 HydrophobicContact CG-CE 4.06Å; P165-M177 HydrophobicContact CG-SD 4.46Å
166V88.4Confident77.7Confident33 Ų3392.1 Ų92.120%0.255%0.546CS..EExtended strand (participates in β ladder)trans-118.3149.2176.3-64.60000111.2V164 C168 T178 W180 V183V164-V166 PolarHBondContact O-N 3.14Å; V166-C168 PolarHBondContact O-N 2.9Å; V166-T178 VanDerWaalsContact CG2-O 3.31Å; V166-T178 WeakPolarHBondContact CG2-O 3.41Å; V166-T178 PolarHBondContact N-O 3.18Å; V166-T178 PolarHBondContact O-N 3.45Å; V166-W180 HydrophobicContact CG1-CE3 3.98Å; V166-W180 HydrophobicContact CG2-CE3 4.07Å; V166-V183 HydrophobicContact CG2-CG2 3.73Å
167P85.3Confident77.4Confident94 Ų9496 Ų9661%0.6156%0.561SS**EExtended strand (participates in β ladder)trans-67.1129173.9-17.230.6000111.2M174P167-M174 HydrophobicContact CB-CE 4.1Å
168C68.3Low77Confident56 Ų5692.9 Ų92.938%0.37855%0.548SS..  trans-111.9118.6174-95.30000111.2V166 G176V166-C168 PolarHBondContact O-N 2.9Å; C168-G176 PolarHBondContact N-O 3.1Å; C168-G176 VanDerWaalsContact N-O 3.09Å
169G62.6Low76.9Confident58 Ų5894 Ų9460%0.59855%0.551SS**  trans151127.7166.700000115.3
170I57.2Low77Confident189 Ų18995 Ų9597%0.96955%0.551SS**SBendtrans-97.582.2163-54.9172.6000106.1
171G57.8Low76.7Confident46 Ų4694.5 Ų94.547%0.47455%0.546SS..SBendtrans178.3166.6179.100000115.2K173G171-K173 VanDerWaalsContact C-N 3.26Å; G171-K173 PolarHBondContact O-N 3.4Å
172P54.8Low76.4Confident146 Ų14694.5 Ų94.595%0.94855%0.546SS*.SBendtrans-77-3.3-167.3-1026.5000115.1
173K54.5Low76.2Confident206 Ų20692.7 Ų92.790%0.89654%0.538SS*.  trans-115.983.6177.7-68.9-172.7177.4-175.70108.6G171G171-K173 VanDerWaalsContact C-N 3.26Å; G171-K173 PolarHBondContact O-N 3.4Å
174M61.5Low75.9Confident136 Ų13696.3 Ų96.367%0.6755%0.547SS*.  trans-82.2118.6172.3-98178.3139.100109P167P167-M174 HydrophobicContact CB-CE 4.1Å
175D57.2Low75.5Confident172 Ų17299.1 Ų99.192%0.9257%0.566SS**  trans-159.217.2157.4-134.26000115
176G75.4Confident75.1Confident41 Ų4198.4 Ų98.442%0.42356%0.563SS.*  trans-109.5110.9-18000000112.2C168C168-G176 PolarHBondContact N-O 3.1Å; C168-G176 VanDerWaalsContact N-O 3.09Å
177M83.4Confident74.9Confident133 Ų133101.5 Ų101.566%0.65558%0.581SS**EExtended strand (participates in β ladder)trans-85.5140.6160.9-114.7163.8163.900109.1P165P165-M177 HydrophobicContact CB-CB 4.35Å; P165-M177 HydrophobicContact CB-CE 3.99Å; P165-M177 HydrophobicContact CB-CG 3.92Å; P165-M177 HydrophobicContact CB-SD 4Å; P165-M177 HydrophobicContact CG-CE 4.06Å; P165-M177 HydrophobicContact CG-SD 4.46Å
178T86.5Confident74.7Confident48 Ų48103 Ų10329%0.29458%0.583SS.*EExtended strand (participates in β ladder)trans-135.6137.7176.5-59.80000108.6V166 N182 V183V166-T178 VanDerWaalsContact CG2-O 3.31Å; V166-T178 WeakPolarHBondContact CG2-O 3.41Å; V166-T178 PolarHBondContact N-O 3.18Å; V166-T178 PolarHBondContact O-N 3.45Å; T178-N182 HydrophobicContact CG2-CB 3.88Å; T178-V183 HydrophobicContact CG2-CG2 4.49Å
179E89.1Confident75.6Confident95 Ų95107.5 Ų107.544%0.44460%0.596SS.*EExtended strand (participates in β ladder)trans-62.5139.6174.1-64.2-179.7152.400110.6G181 N182 V183E179-G181 VanDerWaalsContact C-N 3.27Å; E179-G181 PolarHBondContact O-N 3.14Å; E179-N182 WeakPolarHBondContact O-CB 3.29Å; E179-N182 PolarHBondContact O-N 3.29Å; E179-N182 PolarHBondContact OE2-ND2 3.27Å; E179-V183 PolarHBondContact O-N 3.45Å
180W89.1Confident76.7Confident114 Ų114107.7 Ų107.743%0.43258%0.582SS.*G310 helixtrans-52.7-41.5-176.6-179.5-101.6000113.5L161 D162 V164 V166 N182 V183 V187L161-W180 WeakPolarHBondContact O-CB 3.38Å; D162-W180 PolarHBondContact O-N 3Å; D162-W180 VanDerWaalsContact O-N 3.14Å; V164-W180 PolarHBondContact O-N 3.39Å; V166-W180 HydrophobicContact CG1-CE3 3.98Å; V166-W180 HydrophobicContact CG2-CE3 4.07Å; W180-N182 PolarHBondContact O-N 3.1Å; W180-N182 VanDerWaalsContact O-N 3.15Å; W180-V183 HydrophobicContact CE3-CG2 4.43Å; W180-V183 VanDerWaalsContact O-CB 3.31Å; W180-V183 WeakPolarHBondContact O-CB 3.49Å; W180-V183 WeakPolarHBondContact O-CG2 3.49Å; W180-V183 PolarHBondContact O-N 2.96Å; W180-V187 HydrophobicContact CZ2-CG2 3.93Å
181G85.1Confident78.1Confident28 Ų28100.2 Ų100.229%0.28954%0.544SS..G310 helixtrans-62-24.1179.500000113.6D162 E179D162-G181 PolarHBondContact O-N 3.47Å; E179-G181 VanDerWaalsContact C-N 3.27Å; E179-G181 PolarHBondContact O-N 3.14Å
182N86.8Confident79.6Confident99 Ų99101 Ų10153%0.52954%0.543SS..G310 helixtrans-89.8-10.1178.3-65.2-44.1000113.1T178 E179 W180T178-N182 HydrophobicContact CG2-CB 3.88Å; E179-N182 WeakPolarHBondContact O-CB 3.29Å; E179-N182 PolarHBondContact O-N 3.29Å; E179-N182 PolarHBondContact OE2-ND2 3.27Å; W180-N182 PolarHBondContact O-N 3.1Å; W180-N182 VanDerWaalsContact O-N 3.15Å
183V85.6Confident81.3Confident36 Ų3697 Ų9722%0.21852%0.522CS..  trans-66.8134.6178.4179.40000110.4V166 T178 E179 W180V166-V183 HydrophobicContact CG2-CG2 3.73Å; T178-V183 HydrophobicContact CG2-CG2 4.49Å; E179-V183 PolarHBondContact O-N 3.45Å; W180-V183 HydrophobicContact CE3-CG2 4.43Å; W180-V183 VanDerWaalsContact O-CB 3.31Å; W180-V183 WeakPolarHBondContact O-CB 3.49Å; W180-V183 WeakPolarHBondContact O-CG2 3.49Å; W180-V183 PolarHBondContact O-N 2.96Å
184K84.6Confident83.2Confident160 Ų16090 Ų9070%0.69649%0.492SS*.SBendtrans-116.5141.3177.4-62.3-62176.3-169.40111.6S186K184-S186 PolarHBondContact NZ-OG 3.07Å; K184-S186 VanDerWaalsContact NZ-OG 3.1Å
185P82.3Confident84.6Confident123 Ų12384.9 Ų84.980%0.79947%0.468SS*.SBendcis-71.9143.9-5.630.8-34.4000112
186S81.5Confident86.1Confident53 Ų5380 Ų8037%0.37144%0.44SS..  trans-64.6146.2177.1-57.20000110.9K184 I188K184-S186 PolarHBondContact NZ-OG 3.07Å; K184-S186 VanDerWaalsContact NZ-OG 3.1Å; S186-I188 PolarHBondContact O-N 3.03Å
187V83.8Confident86.5Confident98 Ų9881.1 Ų81.159%0.59445%0.451SS*.  trans-76.8108-179.9-179.60000110W180 K189W180-V187 HydrophobicContact CZ2-CG2 3.93Å; V187-K189 HydrophobicContact CG1-CG 3.85Å
188I81.9Confident86Confident126 Ų12681.6 Ų81.665%0.64646%0.461SS*.  trans-118.2103.3176.4-55.1174.2000108S186 Q190S186-I188 PolarHBondContact O-N 3.03Å; I188-Q190 VanDerWaalsContact CG2-OE1 3.26Å
189K86.4Confident85.3Confident151 Ų15184.1 Ų84.166%0.65747%0.468SS*.  trans-132.65.7-174.8-63.9-65.2179.1-171.50114.1V187 T191 S192V187-K189 HydrophobicContact CG1-CG 3.85Å; K189-T191 PolarHBondContact O-N 3Å; K189-T191 VanDerWaalsContact O-N 3.14Å; K189-S192 PolarHBondContact O-N 3.4Å; K189-S192 PolarHBondContact O-OG 2.93Å
190Q86.7Confident84.4Confident62 Ų6286.4 Ų86.429%0.2948%0.48SS..G310 helixtrans-51.8-42.7-178.3-62.784.4-20.800111.8P53 I188 S192 A193P53-Q190 PolarHBondContact O-NE2 3.32Å; I188-Q190 VanDerWaalsContact CG2-OE1 3.26Å; Q190-S192 PolarHBondContact O-N 3.47Å; Q190-A193 WeakPolarHBondContact O-CB 3.29Å; Q190-A193 PolarHBondContact O-N 3.2Å
191T87.1Confident83.9Confident31 Ų3193 Ų9319%0.1951%0.505CS..G310 helixtrans-60.7-19.7179.6-37.50000114F79 K189 A193 F194F79-T191 HydrophobicContact CB-CG2 4.17Å; F79-T191 HydrophobicContact CD1-CG2 3.66Å; F79-T191 HydrophobicContact CE1-CG2 4.14Å; F79-T191 HydrophobicContact CG-CG2 3.91Å; K189-T191 PolarHBondContact O-N 3Å; K189-T191 VanDerWaalsContact O-N 3.14Å; T191-A193 VanDerWaalsContact C-N 3.25Å; T191-A193 PolarHBondContact O-N 2.94Å; T191-F194 PolarHBondContact O-N 3.43Å
192S88.1Confident83.9Confident63 Ų6396.9 Ų96.944%0.44152%0.524SS..G310 helixtrans-70-21.5174.161.10000113.8K189 Q190 F194 K199K189-S192 PolarHBondContact O-N 3.4Å; K189-S192 PolarHBondContact O-OG 2.93Å; Q190-S192 PolarHBondContact O-N 3.47Å; S192-F194 PolarHBondContact O-N 2.99Å; S192-K199 VanDerWaalsContact CA-NZ 3.31Å
193A91.2Very high84.1Confident63 Ų6395.7 Ų95.752%0.52151%0.512SS..G310 helixtrans-75.1-14.7173.500000112.7Q190 T191Q190-A193 WeakPolarHBondContact O-CB 3.29Å; Q190-A193 PolarHBondContact O-N 3.2Å; T191-A193 VanDerWaalsContact C-N 3.25Å; T191-A193 PolarHBondContact O-N 2.94Å
194F93.4Very high84.5Confident59 Ų5998.4 Ų98.426%0.25952%0.521SS..SBendtrans-108.31.6-171.8-54.4-48.4000115.1F79 A109 V110 F112 T191 S192F79-F194 HydrophobicContact CE1-CB 4.4Å; F79-F194 HydrophobicContact CE1-CD2 4.47Å; F79-F194 HydrophobicContact CE2-CB 3.73Å; F79-F194 HydrophobicContact CZ-CB 3.52Å; F79-F194 HydrophobicContact CZ-CD2 4.23Å; F79-F194 HydrophobicContact CZ-CG 4.18Å; A109-F194 CarbonylContact C-O 3.56Å; A109-F194 VanDerWaalsContact CA-O 3.23Å; A109-F194 WeakPolarHBondContact CA-O 3.5Å; V110-F194 HydrophobicContact CG2-CB 4.48Å; V110-F194 PolarHBondContact N-O 3.3Å; F112-F194 HydrophobicContact CZ-CD1 4.21Å; F112-F194 HydrophobicContact CZ-CE1 4.03Å; T191-F194 PolarHBondContact O-N 3.43Å; S192-F194 PolarHBondContact O-N 2.99Å
195V91.6Very high85.1Confident28 Ų2893.4 Ų93.417%0.1751%0.505CS..BIsolated β-bridgetrans-126.6134.6-179.4-177.90000109.5F79F79-V195 HydrophobicContact CD2-CG2 3.76Å; F79-V195 HydrophobicContact CE2-CG2 4.25Å; F79-V195 HydrophobicContact CG-CG2 4.41Å
196E89.3Confident85.7Confident70 Ų7087.5 Ų87.533%0.32747%0.467SS..  trans-72.9156179.6-67.3-172.1155.200113.7R72 S107 M108 V110R72-E196 IonicContact CZ-OE1 2.6Å; R72-E196 IonicContact NH1-OE1 3.66Å; R72-E196 IonicContact NH2-OE1 3.9Å; R72-E196 PolarHBondContact NH2-OE1 3.4Å; R72-E196 IonicContact NH2-OE2 3.65Å; S107-E196 WeakPolarHBondContact CB-O 3.49Å; S107-E196 PolarHBondContact OG-O 3.1Å; M108-E196 WeakPolarHBondContact CE-OE2 3.4Å; M108-E196 VanDerWaalsContact CG-OE2 3.23Å; M108-E196 WeakPolarHBondContact CG-OE2 3.25Å; M108-E196 PolarHBondContact O-N 3.17Å; V110-E196 HydrophobicContact CG1-CG 4.03Å
197G82.4Confident86.4Confident64 Ų6487.7 Ų87.766%0.6646%0.462SS*.SBendtrans74.7-172.1167.200000115
198V73.9Confident87Confident142 Ų14287.7 Ų87.786%0.86146%0.459SS*.PPolyproline II helixtrans-85.8125.6-175-176.40000109.9
199K70.9Confident87.6Confident101 Ų10183.7 Ų83.744%0.43944%0.436SS..PPolyproline II helixtrans-72.1134.8174.1-64.9-170.7179-168.70110.3S192S192-K199 VanDerWaalsContact CA-NZ 3.31Å
200M71.3Confident88Confident143 Ų14380.2 Ų80.270%0.70443%0.429SS*.PPolyproline II helixtrans-64.7137.2171-162.2171.5-79.400109.3T202M200-T202 VanDerWaalsContact CG-O 3.26Å; M200-T202 WeakPolarHBondContact CG-O 3.46Å; M200-T202 PolarHBondContact O-N 2.9Å
201R77.4Confident88.3Confident253 Ų25381.3 Ų81.396%0.95543%0.433SS*.SBendtrans-59.8-38-178.5-70.3-175.1178.4-175.5-0.4112.3
202T86.3Confident88.5Confident110 Ų11082 Ų8268%0.67544%0.438SS*.SBendtrans-117.1130176.1-53.10000108.3M200M200-T202 VanDerWaalsContact CG-O 3.26Å; M200-T202 WeakPolarHBondContact CG-O 3.46Å; M200-T202 PolarHBondContact O-N 2.9Å
203Y91.1Very high88.5Confident73 Ų7383.6 Ų83.629%0.28644%0.439SS..  trans-68.5133.7177.7-175.3-98.8000110.9L80 M85 E86 R209L80-Y203 HydrophobicContact CD2-CE2 3.74Å; M85-Y203 HydrophobicContact CB-CD1 3.98Å; M85-Y203 HydrophobicContact CB-CD2 4.07Å; M85-Y203 HydrophobicContact CB-CE1 3.7Å; M85-Y203 HydrophobicContact CB-CE2 3.75Å; M85-Y203 HydrophobicContact CB-CG 4.16Å; M85-Y203 HydrophobicContact CE-CD2 4.28Å; M85-Y203 HydrophobicContact CE-CE2 4.22Å; M85-Y203 HydrophobicContact CG-CD1 4.38Å; M85-Y203 HydrophobicContact CG-CD2 4.13Å; M85-Y203 HydrophobicContact CG-CE2 4.27Å; M85-Y203 HydrophobicContact CG-CG 4.17Å; M85-Y203 WeakPolarHBondContact O-CE1 3.41Å; M85-Y203 HydrophobicContact SD-CD1 4.45Å; M85-Y203 HydrophobicContact SD-CD2 3.24Å; M85-Y203 WeakPolarHBondContact SD-CD2 3.37Å; M85-Y203 HydrophobicContact SD-CE2 3.65Å; M85-Y203 HydrophobicContact SD-CG 3.69Å; E86-Y203 VanDerWaalsContact CD-OH 3.25Å; E86-Y203 WeakPolarHBondContact CG-OH 3.39Å; E86-Y203 PolarHBondContact OE1-OH 3.36Å; Y203-R209 PolarHBondContact OH-NH2 2.89Å
204K94Very high88.4Confident93 Ų9380.8 Ų80.840%0.40442%0.416SS..  trans-116130169.7-167.1178.7-163.1-168.80108.8D208 R209K204-D208 HydrophobicContact CD-CB 4.26Å; K204-D208 WeakPolarHBondContact CE-O 3.46Å; K204-D208 HydrophobicContact CG-CB 4.13Å; K204-D208 PolarHBondContact NZ-O 3.29Å; K204-R209 HydrophobicContact CB-CG 4.39Å; K204-R209 HydrophobicContact CD-CG 4.3Å; K204-R209 HydrophobicContact CG-CG 4.38Å; K204-R209 VanDerWaalsContact O-CZ 3.23Å; K204-R209 PolarHBondContact O-NE 2.9Å; K204-R209 PolarHBondContact O-NH2 2.73Å
205P96.2Very high88.2Confident55 Ų5578.3 Ų78.336%0.35741%0.405SS..  trans-54.7143.8174.3-24.834.7000111.7E86 M207 D208 R209E86-P205 WeakPolarHBondContact OE1-CA 3.32Å; P205-M207 VanDerWaalsContact C-N 3.29Å; P205-M207 PolarHBondContact O-N 2.93Å; P205-D208 PolarHBondContact O-N 3.49Å; P205-D208 VanDerWaalsContact O-N 3.12Å; P205-R209 WeakPolarHBondContact O-CG 3.43Å
206L96.1Very high88.1Confident0 Ų082.3 Ų82.30%042%0.422CS..G310 helixtrans-56.4-41.2-172.9-77.6171.9000112.7I77 L80 E86 I90 L94 P104 Y106 D208 R209I77-L206 HydrophobicContact CD1-CD1 3.59Å; L80-L206 HydrophobicContact CD1-CD1 3.73Å; L80-L206 HydrophobicContact CD1-CD2 4.12Å; L80-L206 HydrophobicContact CD1-CG 4.04Å; E86-L206 HydrophobicContact CG-CD1 4.16Å; E86-L206 HydrophobicContact CG-CG 4.45Å; E86-L206 WeakPolarHBondContact OE1-CB 3.44Å; E86-L206 WeakPolarHBondContact OE1-CG 3.35Å; E86-L206 PolarHBondContact OE1-N 3.32Å; I90-L206 HydrophobicContact CD1-CB 4.12Å; I90-L206 HydrophobicContact CD1-CD1 4.44Å; I90-L206 HydrophobicContact CG1-CB 4.35Å; I90-L206 HydrophobicContact CG1-CD1 3.78Å; L94-L206 HydrophobicContact CD1-CD1 4.41Å; P104-L206 WeakPolarHBondContact CB-O 3.5Å; P104-L206 HydrophobicContact CG-CB 4.41Å; Y106-L206 HydrophobicContact CD1-CD2 4.05Å; Y106-L206 HydrophobicContact CG-CD2 4.17Å; L206-D208 PolarHBondContact O-N 3.49Å; L206-R209 WeakPolarHBondContact O-CB 3.41Å; L206-R209 PolarHBondContact O-N 3.19Å; L206-R209 VanDerWaalsContact O-N 3.14Å
207M96.3Very high88.1Confident56 Ų5681.4 Ų81.428%0.27642%0.423SS..G310 helixtrans-68.5-20.1-177-55.3-51.6-9100113.3I90 E93 N100 P205I90-M207 HydrophobicContact CD1-CG 3.6Å; I90-M207 HydrophobicContact CD1-SD 3.6Å; I90-M207 VanDerWaalsContact CD1-SD 3.6Å; E93-M207 HydrophobicContact CB-CE 3.57Å; E93-M207 HydrophobicContact CB-SD 4.17Å; E93-M207 HydrophobicContact CG-CE 4.05Å; E93-M207 WeakPolarHBondContact OE2-CE 3.41Å; N100-M207 HydrophobicContact CB-CE 4.4Å; N100-M207 VanDerWaalsContact ND2-CE 3.26Å; N100-M207 WeakPolarHBondContact ND2-CE 3.3Å; N100-M207 WeakPolarHBondContact OD1-CE 3.23Å; P205-M207 VanDerWaalsContact C-N 3.29Å; P205-M207 PolarHBondContact O-N 2.93Å
208D95.4Very high88.4Confident98 Ų9882 Ų8252%0.52441%0.406SS..G310 helixtrans-93.4-2.7178.2-54.8-37.3000112.6K204 P205 L206K204-D208 HydrophobicContact CD-CB 4.26Å; K204-D208 WeakPolarHBondContact CE-O 3.46Å; K204-D208 HydrophobicContact CG-CB 4.13Å; K204-D208 PolarHBondContact NZ-O 3.29Å; P205-D208 PolarHBondContact O-N 3.49Å; P205-D208 VanDerWaalsContact O-N 3.12Å; L206-D208 PolarHBondContact O-N 3.49Å
209R94.8Very high89.2Confident42 Ų4276.3 Ų76.316%0.15837%0.37CS..SBendtrans-80.6157.7-177-64.3-177.5-167.8-1804.9111.9Q105 Y203 K204 P205 L206 K211Q105-R209 WeakPolarHBondContact O-CD 3.31Å; Q105-R209 PolarHBondContact O-NH1 3.26Å; Y203-R209 PolarHBondContact OH-NH2 2.89Å; K204-R209 HydrophobicContact CB-CG 4.39Å; K204-R209 HydrophobicContact CD-CG 4.3Å; K204-R209 HydrophobicContact CG-CG 4.38Å; K204-R209 VanDerWaalsContact O-CZ 3.23Å; K204-R209 PolarHBondContact O-NE 2.9Å; K204-R209 PolarHBondContact O-NH2 2.73Å; P205-R209 WeakPolarHBondContact O-CG 3.43Å; L206-R209 WeakPolarHBondContact O-CB 3.41Å; L206-R209 PolarHBondContact O-N 3.19Å; L206-R209 VanDerWaalsContact O-N 3.14Å; R209-K211 PolarHBondContact O-N 2.9Å
210P94.1Very high90Very high78 Ų7876.6 Ų76.651%0.50637%0.373SS..PPolyproline II helixtrans-52.9138.2166.7-2333.7000110.4Q105Q105-P210 WeakPolarHBondContact CG-O 3.47Å; Q105-P210 PolarHBondContact N-O 2.8Å
211K94.1Very high90.9Very high86 Ų8673 Ų7337%0.37436%0.355SS..BIsolated β-bridgetrans-99.1147.2179.2-56.4-175.4-176.3-1760110.2Q102 K103 R209Q102-K211 HydrophobicContact CB-CB 3.74Å; Q102-K211 HydrophobicContact CB-CD 3.94Å; Q102-K211 HydrophobicContact CB-CG 4.4Å; K103-K211 CarbonylContact O-C 3.47Å; K103-K211 WeakPolarHBondContact O-CA 3.48Å; R209-K211 PolarHBondContact O-N 2.9Å
212C90.1Very high91.4Very high45 Ų4562.7 Ų62.730%0.30432%0.316SS..PPolyproline II helixtrans-69.5164.8172.3-650000110.9K103 G214K103-C212 HydrophobicContact CB-CB 4.4Å; K103-C212 PolarHBondContact O-N 2.89Å; C212-G214 PolarHBondContact O-N 3.38Å
213Q88.8Confident91.5Very high97 Ų9759.3 Ų59.345%0.45330%0.296SS..PPolyproline II helixtrans-56.2137.7171-171.5179.523.600110.7R218Q213-R218 HydrophobicContact CB-CG 4.33Å; Q213-R218 HydrophobicContact CG-CG 4.13Å
214G89.2Confident91.3Very high4 Ų464.2 Ų64.24%0.04131%0.314CS..PPolyproline II helixtrans-65.2163.5178.100000113C212 E216 R218C212-G214 PolarHBondContact O-N 3.38Å; G214-E216 PolarHBondContact O-N 3.45Å; G214-R218 PolarHBondContact O-N 3.42Å
215L89.1Confident91Very high7 Ų767.3 Ų67.34%0.03732%0.323CS..Hα-helixtrans-61.2-46.3-177.617556.8000111.4M20 V22 F29 S217 R218 I219M20-L215 HydrophobicContact CE-CB 4.14Å; M20-L215 HydrophobicContact SD-CD1 4.43Å; V22-L215 HydrophobicContact CG2-CD1 3.72Å; F29-L215 HydrophobicContact CD2-CD1 4.29Å; F29-L215 HydrophobicContact CD2-CD2 3.76Å; F29-L215 HydrophobicContact CE2-CD1 3.43Å; F29-L215 VanDerWaalsContact CE2-CD1 3.43Å; F29-L215 HydrophobicContact CE2-CD2 3.74Å; F29-L215 HydrophobicContact CE2-CG 4.23Å; F29-L215 HydrophobicContact CZ-CD1 4.06Å; L215-S217 VanDerWaalsContact C-N 3.34Å; L215-S217 PolarHBondContact O-N 3.06Å; L215-R218 WeakPolarHBondContact O-CA 3.49Å; L215-R218 WeakPolarHBondContact O-CB 3.29Å; L215-R218 PolarHBondContact O-N 3.18Å; L215-I219 HydrophobicContact CD1-CD1 3.9Å; L215-I219 HydrophobicContact CD1-CG1 4.05Å; L215-I219 HydrophobicContact CD2-CD1 4.46Å; L215-I219 HydrophobicContact CG-CD1 3.81Å; L215-I219 HydrophobicContact CG-CG1 4.39Å; L215-I219 WeakPolarHBondContact O-CG1 3.45Å; L215-I219 PolarHBondContact O-N 3.33Å
216E90.1Very high90.3Very high112 Ų11268 Ų6852%0.52334%0.34SS..Hα-helixtrans-62.3-43.9-174.4-61.169.3-149.500110.3R15 G214 R218 I219 Q220R15-E216 IonicContact NH1-OE1 3.21Å; G214-E216 PolarHBondContact O-N 3.45Å; E216-R218 VanDerWaalsContact C-N 3.32Å; E216-R218 PolarHBondContact O-N 3.48Å; E216-I219 PolarHBondContact O-N 2.97Å; E216-Q220 PolarHBondContact O-N 3.08Å
217S89.4Confident89.5Confident50 Ų5075.5 Ų75.535%0.3537%0.368SS..Hα-helixtrans-67.1-32.5176.5-48.60000112.7L215 H221L215-S217 VanDerWaalsContact C-N 3.34Å; L215-S217 PolarHBondContact O-N 3.06Å; S217-H221 WeakPolarHBondContact O-CB 3.35Å; S217-H221 PolarHBondContact O-N 2.77Å; S217-H221 VanDerWaalsContact O-N 3.08Å
218R88.3Confident88.8Confident78 Ų7873.9 Ų73.929%0.29436%0.36SS..Hα-helixtrans-70.1-42.4174.1-78.3-176.5146.5-167.1-10.1111.8V22 Q213 G214 L215 E216 H221 F222V22-R218 HydrophobicContact CG2-CB 4.18Å; Q213-R218 HydrophobicContact CB-CG 4.33Å; Q213-R218 HydrophobicContact CG-CG 4.13Å; G214-R218 PolarHBondContact O-N 3.42Å; L215-R218 WeakPolarHBondContact O-CA 3.49Å; L215-R218 WeakPolarHBondContact O-CB 3.29Å; L215-R218 PolarHBondContact O-N 3.18Å; E216-R218 VanDerWaalsContact C-N 3.32Å; E216-R218 PolarHBondContact O-N 3.48Å; R218-H221 WeakPolarHBondContact O-CB 3.45Å; R218-H221 PolarHBondContact O-N 3.32Å; R218-F222 VanDerWaalsContact O-CD2 3.23Å; R218-F222 WeakPolarHBondContact O-CD2 3.35Å; R218-F222 PolarHBondContact O-N 2.9Å; R218-F222 VanDerWaalsContact O-N 3.14Å
219I89.4Confident88Confident21 Ų2175.9 Ų75.911%0.10837%0.366CS..Hα-helixtrans-58-52.8173.7-68.7169.8000109.3V22 I27 L215 E216 H221 F222 V223 I228 P231V22-I219 HydrophobicContact CG1-CB 4.47Å; V22-I219 HydrophobicContact CG1-CG1 3.82Å; I27-I219 HydrophobicContact CB-CD1 4.34Å; I27-I219 HydrophobicContact CG2-CD1 3.91Å; I27-I219 HydrophobicContact CG2-CG1 4.07Å; L215-I219 HydrophobicContact CD1-CD1 3.9Å; L215-I219 HydrophobicContact CD1-CG1 4.05Å; L215-I219 HydrophobicContact CD2-CD1 4.46Å; L215-I219 HydrophobicContact CG-CD1 3.81Å; L215-I219 HydrophobicContact CG-CG1 4.39Å; L215-I219 WeakPolarHBondContact O-CG1 3.45Å; L215-I219 PolarHBondContact O-N 3.33Å; E216-I219 PolarHBondContact O-N 2.97Å; I219-H221 PolarHBondContact O-N 3.47Å; I219-H221 VanDerWaalsContact O-N 3.16Å; I219-F222 PolarHBondContact O-N 3.42Å; I219-V223 HydrophobicContact CG2-CG2 3.94Å; I219-V223 WeakPolarHBondContact O-CG2 3.31Å; I219-V223 PolarHBondContact O-N 3.35Å; I219-I228 HydrophobicContact CG2-CD1 4.1Å; I219-P231 HydrophobicContact CD1-CG 4.36Å; I219-P231 HydrophobicContact CG2-CG 3.91Å
220Q89.2Confident86.9Confident108 Ų10878 Ų7851%0.50538%0.378SS..Hα-helixtrans-59.3-32.5179.7-163.9-170.719.400112.9E216 R224E216-Q220 PolarHBondContact O-N 3.08Å; Q220-R224 WeakPolarHBondContact O-CB 3.4Å; Q220-R224 VanDerWaalsContact O-CG 3.29Å; Q220-R224 WeakPolarHBondContact O-CG 3.39Å; Q220-R224 PolarHBondContact O-N 2.84Å; Q220-R224 PolarHBondContact O-NE 3.43Å; Q220-R224 VanDerWaalsContact O-NE 3.11Å
221H89Confident85.6Confident68 Ų6875.8 Ų75.832%0.31536%0.364SS..Hα-helixtrans-64.5-46.1174176.983.7000112.1S217 R218 I219 R225S217-H221 WeakPolarHBondContact O-CB 3.35Å; S217-H221 PolarHBondContact O-N 2.77Å; S217-H221 VanDerWaalsContact O-N 3.08Å; R218-H221 WeakPolarHBondContact O-CB 3.45Å; R218-H221 PolarHBondContact O-N 3.32Å; I219-H221 PolarHBondContact O-N 3.47Å; I219-H221 VanDerWaalsContact O-N 3.16Å; H221-R225 PolarHBondContact O-N 2.99Å
222F88.1Confident83.8Confident35 Ų3578.7 Ų78.715%0.15438%0.378CS..Hα-helixtrans-78.5-31.3-177.6-72.9-66.1000113.5V22 A23 R218 I219 R225 G226 R227 I228V22-F222 HydrophobicContact CB-CD2 3.96Å; V22-F222 HydrophobicContact CB-CE2 4.25Å; V22-F222 HydrophobicContact CG1-CD2 3.79Å; A23-F222 HydrophobicContact CB-CD1 4.23Å; A23-F222 HydrophobicContact CB-CE1 3.73Å; A23-F222 HydrophobicContact CB-CE2 4.19Å; A23-F222 HydrophobicContact CB-CZ 3.71Å; R218-F222 VanDerWaalsContact O-CD2 3.23Å; R218-F222 WeakPolarHBondContact O-CD2 3.35Å; R218-F222 PolarHBondContact O-N 2.9Å; R218-F222 VanDerWaalsContact O-N 3.14Å; I219-F222 PolarHBondContact O-N 3.42Å; F222-R225 CarbonylContact O-C 3.3Å; F222-R225 PolarHBondContact O-N 3.27Å; F222-G226 PolarHBondContact O-N 3.46Å; F222-R227 HydrophobicContact CB-CB 4.5Å; F222-R227 HydrophobicContact CD1-CB 4.36Å; F222-R227 PolarHBondContact O-N 3.38Å; F222-I228 HydrophobicContact CB-CD1 3.75Å; F222-I228 HydrophobicContact CB-CG1 3.75Å
223V88.6Confident81.7Confident39 Ų3981 Ų8124%0.23639%0.387CS..Hα-helixtrans-61.2-48.3169.9173.10000110.4I219 R225 G226 I228I219-V223 HydrophobicContact CG2-CG2 3.94Å; I219-V223 WeakPolarHBondContact O-CG2 3.31Å; I219-V223 PolarHBondContact O-N 3.35Å; V223-R225 PolarHBondContact O-N 3.03Å; V223-R225 VanDerWaalsContact O-N 3.09Å; V223-G226 PolarHBondContact O-N 3.34Å; V223-I228 WeakPolarHBondContact CA-O 3.28Å; V223-I228 HydrophobicContact CG2-CD1 4.04Å; V223-I228 HydrophobicContact CG2-CG1 3.73Å
224R88.2Confident79.7Confident176 Ų17681.9 Ų81.966%0.66439%0.39SS*.Hα-helixtrans-59.9-22.9176.4-79.1-175.5-72.2176.3-7.9113.7Q220Q220-R224 WeakPolarHBondContact O-CB 3.4Å; Q220-R224 VanDerWaalsContact O-CG 3.29Å; Q220-R224 WeakPolarHBondContact O-CG 3.39Å; Q220-R224 PolarHBondContact O-N 2.84Å; Q220-R224 PolarHBondContact O-NE 3.43Å; Q220-R224 VanDerWaalsContact O-NE 3.11Å
225R86.7Confident77.4Confident158 Ų15888.6 Ų88.660%0.59642%0.42SS*.THydrogen-bonded Turntrans-92.92.9176.5-74.8-171.3152.1-165-8.4113.6H221 F222 V223 R227H221-R225 PolarHBondContact O-N 2.99Å; F222-R225 CarbonylContact O-C 3.3Å; F222-R225 PolarHBondContact O-N 3.27Å; V223-R225 PolarHBondContact O-N 3.03Å; V223-R225 VanDerWaalsContact O-N 3.09Å; R225-R227 HydrophobicContact CB-CG 4.35Å; R225-R227 PolarHBondContact O-N 2.9Å
226G80.7Confident75Confident69 Ų6994.4 Ų94.471%0.71145%0.447SS*.THydrogen-bonded Turntrans64.120.6-178.800000114F222 V223F222-G226 PolarHBondContact O-N 3.46Å; V223-G226 PolarHBondContact O-N 3.34Å
227R79.3Confident72.6Confident159 Ų15995.7 Ų95.760%0.645%0.453SS*.SBendtrans-87.8-23.5179.7-68.9-163.3-178.8-175.6-3.8113.3F222 R225F222-R227 HydrophobicContact CB-CB 4.5Å; F222-R227 HydrophobicContact CD1-CB 4.36Å; F222-R227 PolarHBondContact O-N 3.38Å; R225-R227 HydrophobicContact CB-CG 4.35Å; R225-R227 PolarHBondContact O-N 2.9Å
228I83.4Confident70.4Confident22 Ų2299.2 Ų99.211%0.11346%0.464CS..SBendtrans-141.5152.2177.462.9173.5000109.1V22 I219 F222 V223V22-I228 HydrophobicContact CG1-CD1 3.72Å; V22-I228 WeakPolarHBondContact O-CG2 3.3Å; I219-I228 HydrophobicContact CG2-CD1 4.1Å; F222-I228 HydrophobicContact CB-CD1 3.75Å; F222-I228 HydrophobicContact CB-CG1 3.75Å; V223-I228 WeakPolarHBondContact CA-O 3.28Å; V223-I228 HydrophobicContact CG2-CD1 4.04Å; V223-I228 HydrophobicContact CG2-CG1 3.73Å
229E78Confident68.2Low139 Ų13999.6 Ų99.665%0.6548%0.475SS*.  trans-82.7157.5173.3-64.8-178.1176.600111.1
230H72.3Confident66Low86 Ų86105 Ų10540%0.39850%0.497SS..  trans-69.3130.3-179.6-157.9-69.4000109.7H232 L233H230-H232 AromaticContact CE1-CD2 3.14Å; H230-H232 PolarHBondContact CE1-CD2 2.94Å; H230-H232 AromaticContact CE1-NE2 3.65Å; H230-H232 AromaticContact ND1-CD2 3.24Å; H230-H232 PolarHBondContact ND1-CD2 2.95Å; H230-H232 AromaticContact ND1-CG 3.76Å; H230-H232 PolarHBondContact O-N 3.33Å; H230-L233 PolarHBondContact O-N 3.33Å
231P65.3Low63.8Low33 Ų33102.9 Ų102.921%0.21450%0.498CS..G310 helixtrans-57-11.6-176.7-27.733.6000116.5I27 I219 L233I27-P231 HydrophobicContact CD1-CB 3.89Å; I27-P231 HydrophobicContact CD1-CG 3.97Å; I219-P231 HydrophobicContact CD1-CG 4.36Å; I219-P231 HydrophobicContact CG2-CG 3.91Å; P231-L233 PolarHBondContact O-N 3.43Å
232H56.2Low61.8Low146 Ų146107.2 Ų107.268%0.67652%0.516SS*.G310 helixtrans-74.6-3.9179.8-71.6-49.7000113.7H230H230-H232 AromaticContact CE1-CD2 3.14Å; H230-H232 PolarHBondContact CE1-CD2 2.94Å; H230-H232 AromaticContact CE1-NE2 3.65Å; H230-H232 AromaticContact ND1-CD2 3.24Å; H230-H232 PolarHBondContact ND1-CD2 2.95Å; H230-H232 AromaticContact ND1-CG 3.76Å; H230-H232 PolarHBondContact O-N 3.33Å
233L47.6Very low59.5Low93 Ų93114.7 Ų114.749%0.48754%0.544SS..G310 helixtrans-86.9-16.9176.9-68.3166.3000113.8H230 P231H230-L233 PolarHBondContact O-N 3.33Å; P231-L233 PolarHBondContact O-N 3.43Å
234F46Very low57.2Low117 Ų117118.3 Ų118.351%0.51356%0.561SS.*Hα-helixtrans-81.3-26.7-176.3-71.3-74.6000114.6E238F234-E238 PolarHBondContact O-N 3.41Å
235H40.3Very low54.9Low145 Ų145114.4 Ų114.467%0.67156%0.56SS**Hα-helixtrans-75.6-28.8179.8-89.6-51.9000113.4T239H235-T239 PolarHBondContact O-OG1 3.37Å
236E38.8Very low52.7Low129 Ų129113.6 Ų113.660%0.60357%0.568SS**Hα-helixtrans-77.3-35.8178.4-72.7-168.8167.700112.4T239 K240E236-T239 PolarHBondContact O-OG1 2.78Å; E236-K240 PolarHBondContact O-N 2.89Å; E236-K240 VanDerWaalsContact O-N 3.1Å
237E39.9Very low50.8Low138 Ų138117.2 Ų117.265%0.64557%0.571SS**Hα-helixtrans-71.3-39.7178.7-75.9-169.615800113.1T239 K240 A241E237-T239 VanDerWaalsContact C-N 3.3Å; E237-T239 PolarHBondContact O-N 2.96Å; E237-K240 PolarHBondContact O-N 2.88Å; E237-A241 WeakPolarHBondContact O-CB 3.3Å; E237-A241 PolarHBondContact O-N 3.49Å
238E43.9Very low48.9Very low125 Ų125115.1 Ų115.158%0.58458%0.576SS**Hα-helixtrans-64.8-33.4175.5-83-171.9159.900112.8F234 K242F234-E238 PolarHBondContact O-N 3.41Å; E238-K242 WeakPolarHBondContact O-CG 3.38Å; E238-K242 PolarHBondContact O-N 3.49Å
239T41.9Very low46.6Very low86 Ų86122.2 Ų122.253%0.52861%0.613SS.*Hα-helixtrans-74.9-28.5173.639.50000113.8H235 E236 E237 R243H235-T239 PolarHBondContact O-OG1 3.37Å; E236-T239 PolarHBondContact O-OG1 2.78Å; E237-T239 VanDerWaalsContact C-N 3.3Å; E237-T239 PolarHBondContact O-N 2.96Å; T239-R243 PolarHBondContact O-N 2.95Å
240K42Very low44.3Very low133 Ų133125 Ų12558%0.57863%0.626SS**Hα-helixtrans-75.6-44.8173.5-83179.2176.11730111.6E236 E237 K242 R243 D244E236-K240 PolarHBondContact O-N 2.89Å; E236-K240 VanDerWaalsContact O-N 3.1Å; E237-K240 PolarHBondContact O-N 2.88Å; K240-K242 VanDerWaalsContact C-N 3.26Å; K240-K242 PolarHBondContact O-N 2.88Å; K240-R243 PolarHBondContact O-N 2.83Å; K240-D244 PolarHBondContact O-N 3.14Å
241A43.4Very low42.5Very low64 Ų64130 Ų13053%0.52965%0.649SS.*Hα-helixtrans-60.4-33.9177.100000113E237 C245E237-A241 WeakPolarHBondContact O-CB 3.3Å; E237-A241 PolarHBondContact O-N 3.49Å; A241-C245 WeakPolarHBondContact O-CB 3.33Å; A241-C245 PolarHBondContact O-N 3.39Å
242K47.1Very low40.6Very low159 Ų159137.5 Ų137.569%0.69168%0.682SS**Hα-helixtrans-75.8-22.6173.4-77.7179.6178.4172.30114.4E238 K240E238-K242 WeakPolarHBondContact O-CG 3.38Å; E238-K242 PolarHBondContact O-N 3.49Å; K240-K242 VanDerWaalsContact C-N 3.26Å; K240-K242 PolarHBondContact O-N 2.88Å
243R39.9Very low39.5Very low193 Ų193138.2 Ų138.273%0.72869%0.691SS**Hα-helixtrans-80.9-42.4173.9-82.6-179.8179.4173.51.5111.3T239 K240 C245 N246T239-R243 PolarHBondContact O-N 2.95Å; K240-R243 PolarHBondContact O-N 2.83Å; R243-C245 VanDerWaalsContact C-N 3.3Å; R243-C245 PolarHBondContact O-N 3.5Å; R243-N246 PolarHBondContact O-N 2.81Å
244D39.7Very low38.6Very low114 Ų114140.5 Ų140.561%0.6171%0.709SS**Hα-helixtrans-72.2-24-176.8-66.6-17.9000112.8K240 N246K240-D244 PolarHBondContact O-N 3.14Å; D244-N246 VanDerWaalsContact C-N 3.34Å; D244-N246 PolarHBondContact O-N 3.23Å
245C40.7Very low37.8Very low94 Ų94142.3 Ų142.364%0.63572%0.724SS**THydrogen-bonded Turntrans-77.6-12.6178.1-164.50000114.3A241 R243A241-C245 WeakPolarHBondContact O-CB 3.33Å; A241-C245 PolarHBondContact O-N 3.39Å; R243-C245 VanDerWaalsContact C-N 3.3Å; R243-C245 PolarHBondContact O-N 3.5Å
246N40.5Very low37.3Very low141 Ų141142.7 Ų142.775%0.75473%0.73SS**THydrogen-bonded Turntrans-92.8-9.3-178.7-86.3-5.9000114.1R243 D244R243-N246 PolarHBondContact O-N 2.81Å; D244-N246 VanDerWaalsContact C-N 3.34Å; D244-N246 PolarHBondContact O-N 3.23Å
247D41.6Very low36.8Very low145 Ų145145.7 Ų145.778%0.77574%0.744SS**SBendtrans-1076.1-172.8-81.9-16.4000114.6
248T37.6Very low36.4Very low115 Ų115145.4 Ų145.471%0.70675%0.752SS**  trans-134.480.9176.428.20000112.4
249L35Very low35.8Very low171 Ų171145.4 Ų145.490%0.89576%0.762SS**  trans-132.578.7159.3-78.8172.2000109.3
250E30.9Very low35.2Very low199 Ų199148 Ų14893%0.9378%0.778SS**  trans-134.6142.8153-75.8-165.6163.500109.4
251E33.5Very low34.9Very low189 Ų189150.9 Ų150.988%0.88379%0.791SS**  trans-63143.2-163.1-59.6171.614200114.5
252E26.8Very low34.3Very low192 Ų192159.9 Ų159.990%0.89781%0.811SS**  trans-156.8118141.6-113.9175-160.800111.7
253N31.3Very low33.6Very low161 Ų161157.9 Ų157.986%0.86181%0.812SS**  trans-73125.3169.9-81.9-51.5000110.1
254T29Very low33.1Very low141 Ų141154.7 Ų154.787%0.86582%0.818SS**  trans-157.3151.4147.435.20000112.6
255N28.9Very low32.7Very low155 Ų155155.2 Ų155.283%0.82983%0.825SS**  trans-79154.7-163.9-81.1-65.9000116.1
256L31.1Very low32.3Very low153 Ų153158.2 Ų158.280%0.80183%0.834SS**  trans44116.9148.2-105.679.6000120.1
257E27.7Very low31.9Very low192 Ų192157.8 Ų157.890%0.89784%0.837SS**  -160127.8125.9-109.5174.5-164.900110.2
258T32.5Very low31.5Very low132 Ų132158.9 Ų158.981%0.8184%0.838SS**PPolyproline II helixtrans-86.3129.9-178.536.60000111.5
259P30.6Very low31.4Very low124 Ų124161.2 Ų161.281%0.80584%0.844SS**PPolyproline II helixtrans-84.7134.5168.1-523.2000111.2
260T30.1Very low31.3Very low141 Ų141161.2 Ų161.287%0.86584%0.837SS**PPolyproline II helixtrans-66.9125.6-173.7-2.90000112.3R262T260-R262 PolarHBondContact O-N 3.1Å
261K34.3Very low31.5Very low194 Ų194157.5 Ų157.584%0.84383%0.833SS**PPolyproline II helixtrans-68.6125167.8-70.7179.4177.5178.80109.7V263K261-V263 PolarHBondContact O-N 3.04Å
262R31Very low31.6Very low253 Ų253155.3 Ų155.396%0.95583%0.825SS**  trans-77110.2163.2-78-176-177.9178.71.4108.6T260T260-R262 PolarHBondContact O-N 3.1Å
263V32.3Very low32.4Very low117 Ų117157.4 Ų157.471%0.70984%0.84SS**PPolyproline II helixtrans-90.5125168.9175.30000107.5K261K261-V263 PolarHBondContact O-N 3.04Å
264C29.3Very low32.5Very low125 Ų125157.2 Ų157.285%0.84584%0.839SS**PPolyproline II helixtrans-75.8120.5167.2-70.40000108.1
265V32.9Very low32.7Very low125 Ų125158.1 Ų158.176%0.75884%0.838SS**PPolyproline II helixtrans-85.3126179.3-179.80000108.7
266D31.5Very low32.9Very low157 Ų157158.2 Ų158.284%0.8484%0.839SS**PPolyproline II helixtrans-60.5131.9172.4-75.9-44.1000110.9E268D266-E268 PolarHBondContact O-N 3.46Å
267T33.2Very low33Very low132 Ų132158.5 Ų158.581%0.8184%0.841SS**  trans-86.1109.2175.3-51.80000108.6I269T267-I269 PolarHBondContact O-N 3.35Å
268E32Very low33.3Very low169 Ų169156.4 Ų156.479%0.7984%0.837SS**  trans-57.8118.3170.4-70177.2161.700110.8D266 K270D266-E268 PolarHBondContact O-N 3.46Å; E268-K270 PolarHBondContact O-N 3.28Å
269I36.4Very low33.4Very low163 Ų163158.1 Ų158.184%0.83684%0.839SS**  trans-80.7105.8167-64.3174.5000107.4T267 S271T267-I269 PolarHBondContact O-N 3.35Å; I269-S271 PolarHBondContact O-N 3.4Å
270K32.3Very low33.6Very low172 Ų172160.5 Ų160.575%0.74884%0.841SS**  trans-73.2117.8166.9-77.3-179.6176.9175.80109.7E268 I272E268-K270 PolarHBondContact O-N 3.28Å; K270-I272 PolarHBondContact O-N 3.45Å
271S34.1Very low33.9Very low120 Ų120162 Ų16284%0.83984%0.84SS**  trans-60122.7165.2-40.90000109.9I269I269-S271 PolarHBondContact O-N 3.4Å
272I36.8Very low33.8Very low143 Ų143159.3 Ų159.373%0.73384%0.839SS**  trans-126110.8166.3-65.4179.2000107.1K270K270-I272 PolarHBondContact O-N 3.45Å
273I44Very low34.1Very low236 Ų236150.8 Ų150.8100%1.2183%0.829SS**  trans75.50169.7-52.7163.5000115.7

Retrieved 273 of 273 residues in 79.3 ms (Link to these results)

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