G4V9B4_SCHMA Loading...

ATP synthase gamma-related

AlphaFold DB , UniProt , Accession G4V9B4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,047 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
1M39Very low65.6Low214 Ų21493.5 Ų93.5100%1.05452%0.522SS*.  0-28.80-77.2-173.2168.800113.1S3 S4M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.45Å; M1-S3 VanDerWaalsContact O-N 3.09Å; M1-S4 PolarHBondContact O-N 2.99Å
2G43.1Very low68.2Low59 Ų5985.8 Ų85.861%0.60848%0.479SS*.Hα-helixtrans-65.5-9.1-174.500000119.4
3S50.4Low70.3Confident107 Ų10785.2 Ų85.275%0.74847%0.468SS*.Hα-helixtrans-84.9-23.1176.361.30000113.7M1M1-S3 VanDerWaalsContact C-N 3.32Å; M1-S3 PolarHBondContact O-N 3.45Å; M1-S3 VanDerWaalsContact O-N 3.09Å
4S58.9Low72.2Confident80 Ų8079.2 Ų79.256%0.55944%0.435SS*.Hα-helixtrans-80.3-44-178.8-168.50000111.4M1 A6 S7 T8M1-S4 PolarHBondContact O-N 2.99Å; S4-A6 PolarHBondContact O-N 3.1Å; S4-S7 WeakPolarHBondContact O-CB 3.46Å; S4-S7 PolarHBondContact O-N 2.83Å; S4-S7 VanDerWaalsContact O-N 3.13Å; S4-T8 PolarHBondContact O-N 3.46Å; S4-T8 VanDerWaalsContact O-N 3.1Å
5E58.8Low73.8Confident138 Ų13877.7 Ų77.765%0.64542%0.421SS*.Hα-helixtrans-63.7-38.5178.4-78.2172.9144.700112.3S7 T8 R9E5-S7 PolarHBondContact O-N 3.47Å; E5-T8 PolarHBondContact O-N 3.01Å; E5-T8 PolarHBondContact O-OG1 2.95Å; E5-R9 WeakPolarHBondContact O-CB 3.32Å; E5-R9 PolarHBondContact O-N 2.76Å
6A65.1Low75Confident52 Ų5276 Ų7643%0.4341%0.41SS..Hα-helixtrans-66.8-27176.400000112.8S4S4-A6 PolarHBondContact O-N 3.1Å
7S68.7Low76Confident51 Ų5174.1 Ų74.136%0.35740%0.399SS..Hα-helixtrans-77.5-41.4177.9-176.70000111.7S4 E5 R11 H30S4-S7 WeakPolarHBondContact O-CB 3.46Å; S4-S7 PolarHBondContact O-N 2.83Å; S4-S7 VanDerWaalsContact O-N 3.13Å; E5-S7 PolarHBondContact O-N 3.47Å; S7-R11 PolarHBondContact O-N 2.96Å; S7-H30 PolarHBondContact O-CD2 3.06Å; S7-H30 PolarHBondContact O-NE2 2.88Å; S7-H30 VanDerWaalsContact O-NE2 3.15Å; S7-H30 PolarHBondContact OG-NE2 2.79Å
8T74.7Confident76.7Confident43 Ų4372 Ų7226%0.26439%0.388SS..Hα-helixtrans-70.7-41.717859.50000111.7S4 E5 R10 R11 E89S4-T8 PolarHBondContact O-N 3.46Å; S4-T8 VanDerWaalsContact O-N 3.1Å; E5-T8 PolarHBondContact O-N 3.01Å; E5-T8 PolarHBondContact O-OG1 2.95Å; T8-R10 PolarHBondContact O-N 2.95Å; T8-R10 VanDerWaalsContact O-N 3.11Å; T8-R11 WeakPolarHBondContact O-CB 3.43Å; T8-R11 PolarHBondContact O-N 2.83Å; T8-R11 VanDerWaalsContact O-N 3.08Å; T8-E89 WeakPolarHBondContact CB-OE1 3.42Å; T8-E89 PolarHBondContact OG1-OE1 2.94Å
9R79.9Confident77.1Confident89 Ų8977.5 Ų77.534%0.33642%0.418SS..Hα-helixtrans-58.3-28.1179.5-171.2176.3179.9-171.12.1113.7E5 V91 G92 D95E5-R9 WeakPolarHBondContact O-CB 3.32Å; E5-R9 PolarHBondContact O-N 2.76Å; R9-V91 HydrophobicContact CG-CB 4.45Å; R9-V91 VanDerWaalsContact CZ-CG1 3.49Å; R9-V91 VanDerWaalsContact NE-CG1 3.32Å; R9-V91 PolarHBondContact NE-O 3.08Å; R9-V91 VanDerWaalsContact NH2-CG1 3.25Å; R9-G92 WeakPolarHBondContact O-CA 3.4Å; R9-D95 IonicContact CZ-OD1 2.9Å; R9-D95 IonicContact CZ-OD2 2.72Å; R9-D95 IonicContact NE-OD2 3.88Å; R9-D95 PolarHBondContact NE-OD2 2.9Å; R9-D95 VanDerWaalsContact NE-OD2 3.11Å; R9-D95 IonicContact NH1-OD2 3.59Å; R9-D95 IonicContact NH2-OD1 2.84Å; R9-D95 PolarHBondContact NH2-OD1 3.04Å; R9-D95 IonicContact NH2-OD2 3.69Å; R9-D95 PolarHBondContact NH2-OD2 3.37Å
10R88.5Confident77.4Confident126 Ų12681.2 Ų81.248%0.47543%0.432SS..THydrogen-bonded Turntrans-102.32.6-178.6-66-177.1-177.2168.53113.8T8 H30 V31T8-R10 PolarHBondContact O-N 2.95Å; T8-R10 VanDerWaalsContact O-N 3.11Å; R10-H30 CarbonylContact O-C 3.54Å; R10-H30 VanDerWaalsContact O-CA 3.29Å; R10-H30 WeakPolarHBondContact O-CA 3.3Å; R10-V31 PolarHBondContact O-N 2.85Å
11R94.8Very high77.7Confident69 Ų6987.7 Ų87.726%0.2645%0.45SS..EExtended strand (participates in β ladder)trans-77.6126.5-175.8-165.7-170.5-177.579.5-4.3110.6S7 T8 T28 G29 E48 Q88S7-R11 PolarHBondContact O-N 2.96Å; T8-R11 WeakPolarHBondContact O-CB 3.43Å; T8-R11 PolarHBondContact O-N 2.83Å; T8-R11 VanDerWaalsContact O-N 3.08Å; R11-T28 HydrophobicContact CG-CG2 4.08Å; R11-G29 WeakPolarHBondContact CA-O 3.41Å; R11-E48 IonicContact CZ-OE1 2.74Å; R11-E48 IonicContact CZ-OE2 3.83Å; R11-E48 IonicContact NH1-OE1 3.11Å; R11-E48 IonicContact NH1-OE2 3.53Å; R11-E48 PolarHBondContact NH1-OE2 3.21Å; R11-E48 IonicContact NH2-OE1 3.08Å; R11-E48 PolarHBondContact NH2-OE1 3.49Å; R11-E48 IonicContact NH2-OE2 2.76Å; R11-E48 PolarHBondContact NH2-OE2 2.95Å; R11-Q88 HydrophobicContact CB-CB 4.38Å; R11-Q88 PolarHBondContact O-N 3.2Å
12V96.4Very high79.9Confident2 Ų283.1 Ų83.11%0.01243%0.427CS..EExtended strand (participates in β ladder)trans-134.4153-178.6-61.80000111.6T28 G29 V31 V45 L85 S86 F87V12-T28 WeakPolarHBondContact O-CA 3.23Å; V12-T28 WeakPolarHBondContact O-CG2 3.31Å; V12-G29 PolarHBondContact N-O 3.05Å; V12-G29 PolarHBondContact O-N 3.13Å; V12-V31 HydrophobicContact CG1-CB 4.07Å; V12-V31 HydrophobicContact CG1-CG1 3.64Å; V12-V31 HydrophobicContact CG2-CB 3.93Å; V12-V31 HydrophobicContact CG2-CG1 4.39Å; V12-V45 HydrophobicContact CG2-CG1 3.85Å; V12-V45 HydrophobicContact CG2-CG2 4.15Å; V12-L85 HydrophobicContact CB-CD2 4.44Å; V12-L85 HydrophobicContact CG2-CD2 4.07Å; V12-S86 CarbonylContact C-O 3.6Å; V12-S86 WeakPolarHBondContact CA-O 3.33Å; V12-F87 HydrophobicContact CG1-CB 4.41Å; V12-F87 HydrophobicContact CG1-CD1 3.44Å; V12-F87 VanDerWaalsContact CG1-CD1 3.44Å; V12-F87 HydrophobicContact CG1-CD2 4.19Å; V12-F87 HydrophobicContact CG1-CE1 3.63Å; V12-F87 HydrophobicContact CG1-CE2 4.32Å; V12-F87 HydrophobicContact CG1-CG 3.75Å; V12-F87 HydrophobicContact CG1-CZ 4.06Å
13K96.3Very high82.2Confident78 Ų7885.8 Ų85.834%0.33942%0.418SS..EExtended strand (participates in β ladder)trans-100.1133158.4-83.7-169.8170.8-147.70109.8Y15 D25 T28 S86K13-Y15 HydrophobicContact CB-CD2 4.46Å; K13-Y15 HydrophobicContact CB-CE2 3.74Å; K13-Y15 HydrophobicContact CD-CE2 4.41Å; K13-Y15 WeakPolarHBondContact CD-OH 3.44Å; K13-D25 IonicContact NZ-OD2 2.79Å; K13-D25 PolarHBondContact NZ-OD2 2.75Å; K13-T28 HydrophobicContact CG-CG2 4.4Å; K13-T28 WeakPolarHBondContact CG-OG1 3.24Å; K13-S86 PolarHBondContact N-O 3.03Å; K13-S86 PolarHBondContact O-N 3.43Å
14L95.9Very high84.1Confident1 Ų183.8 Ų83.81%0.00540%0.399CS..EExtended strand (participates in β ladder)trans-96.1128.2174.7177.266.6000109.5K26 G27 L54 L55 L83 L85L14-K26 HydrophobicContact CB-CB 4.24Å; L14-K26 HydrophobicContact CD2-CB 3.88Å; L14-K26 HydrophobicContact CD2-CG 4.48Å; L14-K26 HydrophobicContact CG-CB 3.96Å; L14-K26 HydrophobicContact CG-CG 4.44Å; L14-K26 PolarHBondContact O-N 2.76Å; L14-G27 PolarHBondContact N-O 3.41Å; L14-L54 HydrophobicContact CD2-CB 4.15Å; L14-L54 WeakPolarHBondContact CD2-O 3.29Å; L14-L55 HydrophobicContact CD1-CD2 3.97Å; L14-L55 HydrophobicContact CD2-CB 3.85Å; L14-L83 HydrophobicContact CD1-CD2 4.42Å; L14-L85 HydrophobicContact CB-CD2 4.32Å; L14-L85 HydrophobicContact CD1-CD2 3.69Å
15Y96.3Very high85.8Confident57 Ų5783.6 Ų83.622%0.22439%0.392CS..EExtended strand (participates in β ladder)trans-117.6149.8170.8-60.3-88.2000110.5K13 W23 D24 D25 L83 A84K13-Y15 HydrophobicContact CB-CD2 4.46Å; K13-Y15 HydrophobicContact CB-CE2 3.74Å; K13-Y15 HydrophobicContact CD-CE2 4.41Å; K13-Y15 WeakPolarHBondContact CD-OH 3.44Å; Y15-W23 HydrophobicContact CD1-CB 4.26Å; Y15-D24 VanDerWaalsContact CA-O 3.31Å; Y15-D24 WeakPolarHBondContact CA-O 3.48Å; Y15-D25 HydrophobicContact CD1-CB 4.15Å; Y15-D25 HydrophobicContact CE1-CB 3.85Å; Y15-L83 WeakPolarHBondContact O-CA 3.3Å; Y15-A84 PolarHBondContact N-O 2.97Å; Y15-A84 PolarHBondContact O-N 2.74Å
16M93.8Very high87.4Confident50 Ų5081.3 Ų81.325%0.24638%0.38CS..EExtended strand (participates in β ladder)trans-133.4133.8172.8-174.7-175.4-74.200108.2D24 K26 D82 L83M16-D24 PolarHBondContact N-O 2.89Å; M16-D24 VanDerWaalsContact N-O 3.08Å; M16-D24 PolarHBondContact O-N 2.88Å; M16-K26 HydrophobicContact CB-CD 4.36Å; M16-K26 VanDerWaalsContact CB-CE 3.41Å; M16-K26 HydrophobicContact CB-CG 3.94Å; M16-K26 VanDerWaalsContact SD-CE 3.5Å; M16-D82 VanDerWaalsContact CA-O 3.3Å; M16-D82 WeakPolarHBondContact CA-O 3.21Å; M16-L83 HydrophobicContact CB-CD2 4.12Å; M16-L83 HydrophobicContact CE-CD2 3.68Å; M16-L83 HydrophobicContact CG-CD2 4.03Å
17L92.3Very high88.7Confident43 Ų4380 Ų8023%0.22537%0.371CS..EExtended strand (participates in β ladder)trans-73130.9178.2-16272.2000109.7W23 D82L17-W23 HydrophobicContact CB-CD2 4.48Å; L17-W23 HydrophobicContact CB-CE3 4.14Å; L17-W23 HydrophobicContact CB-CH2 4.34Å; L17-W23 HydrophobicContact CB-CZ3 4.07Å; L17-W23 HydrophobicContact CD1-CD2 3.84Å; L17-W23 HydrophobicContact CD1-CE3 4.34Å; L17-W23 HydrophobicContact CD1-CG 4.06Å; L17-W23 HydrophobicContact CD1-CZ2 4.26Å; L17-D82 HydrophobicContact CB-CB 3.77Å; L17-D82 HydrophobicContact CD2-CB 4.28Å; L17-D82 WeakPolarHBondContact CD2-OD2 3.43Å; L17-D82 PolarHBondContact N-O 2.81Å
18N88Confident89.9Confident37 Ų3778.9 Ų78.920%0.19836%0.362CS..  trans-92.5173.917769.922.9000112E20 R21 Q22 D24N18-E20 PolarHBondContact O-N 3.09Å; N18-E20 VanDerWaalsContact O-N 3.11Å; N18-E20 WeakPolarHBondContact OD1-CA 3.49Å; N18-E20 WeakPolarHBondContact OD1-CB 3.28Å; N18-E20 PolarHBondContact OD1-N 3.32Å; N18-R21 PolarHBondContact O-N 3.06Å; N18-R21 PolarHBondContact OD1-N 3.38Å; N18-Q22 PolarHBondContact N-O 3.46Å; N18-Q22 PolarHBondContact ND2-O 3.12Å; N18-Q22 PolarHBondContact OD1-N 2.87Å; N18-Q22 PolarHBondContact OD1-O 3.44Å; N18-D24 PolarHBondContact ND2-OD1 2.95Å
19D83.4Confident90.8Very high177 Ų17776.9 Ų76.995%0.94735%0.35SS*.THydrogen-bonded Turntrans-60.6-20.8-179.6-59.9-25.6000113.7R21D19-R21 VanDerWaalsContact C-N 3.28Å
20E84.8Confident91.5Very high151 Ų15175 Ų7571%0.70635%0.345SS*.THydrogen-bonded Turntrans-87.47176.7-60.1-176.1179.800112.9N18 Q22N18-E20 PolarHBondContact O-N 3.09Å; N18-E20 VanDerWaalsContact O-N 3.11Å; N18-E20 WeakPolarHBondContact OD1-CA 3.49Å; N18-E20 WeakPolarHBondContact OD1-CB 3.28Å; N18-E20 PolarHBondContact OD1-N 3.32Å; E20-Q22 VanDerWaalsContact C-N 3.26Å; E20-Q22 PolarHBondContact O-N 3.24Å
21R83.6Confident91.9Very high217 Ų21769.1 Ų69.182%0.81932%0.323SS*.SBendtrans58.233.7-173.3-59.2-162.4175.7-156.9-1.6113.7N18 D19N18-R21 PolarHBondContact O-N 3.06Å; N18-R21 PolarHBondContact OD1-N 3.38Å; D19-R21 VanDerWaalsContact C-N 3.28Å
22Q84.8Confident91.7Very high119 Ų11967.2 Ų67.256%0.55632%0.32SS*.  trans-109.9144.7171-61-175.3-4.900110.5N18 E20 D24N18-Q22 PolarHBondContact N-O 3.46Å; N18-Q22 PolarHBondContact ND2-O 3.12Å; N18-Q22 PolarHBondContact OD1-N 2.87Å; N18-Q22 PolarHBondContact OD1-O 3.44Å; E20-Q22 VanDerWaalsContact C-N 3.26Å; E20-Q22 PolarHBondContact O-N 3.24Å; Q22-D24 PolarHBondContact O-N 2.76Å
23W90.4Very high91.5Very high114 Ų11467.5 Ų67.543%0.43232%0.323SS..EExtended strand (participates in β ladder)trans-80.9111.2178.4-72.2103.7000110.7Y15 L17 V74 D82 A84Y15-W23 HydrophobicContact CD1-CB 4.26Å; L17-W23 HydrophobicContact CB-CD2 4.48Å; L17-W23 HydrophobicContact CB-CE3 4.14Å; L17-W23 HydrophobicContact CB-CH2 4.34Å; L17-W23 HydrophobicContact CB-CZ3 4.07Å; L17-W23 HydrophobicContact CD1-CD2 3.84Å; L17-W23 HydrophobicContact CD1-CE3 4.34Å; L17-W23 HydrophobicContact CD1-CG 4.06Å; L17-W23 HydrophobicContact CD1-CZ2 4.26Å; W23-V74 HydrophobicContact CH2-CG1 3.93Å; W23-V74 HydrophobicContact CZ2-CG1 4.28Å; W23-D82 HydrophobicContact CH2-CB 4.05Å; W23-D82 HydrophobicContact CZ3-CB 4.44Å; W23-A84 HydrophobicContact CE3-CB 4.3Å; W23-A84 HydrophobicContact CH2-CB 3.95Å; W23-A84 HydrophobicContact CZ3-CB 3.79Å
24D91.6Very high91Very high66 Ų6668.3 Ų68.335%0.35333%0.33SS..EExtended strand (participates in β ladder)trans-82.8126.5174.5-78-8000110.6Y15 M16 N18 Q22 K26Y15-D24 VanDerWaalsContact CA-O 3.31Å; Y15-D24 WeakPolarHBondContact CA-O 3.48Å; M16-D24 PolarHBondContact N-O 2.89Å; M16-D24 VanDerWaalsContact N-O 3.08Å; M16-D24 PolarHBondContact O-N 2.88Å; N18-D24 PolarHBondContact ND2-OD1 2.95Å; Q22-D24 PolarHBondContact O-N 2.76Å; D24-K26 PolarHBondContact O-N 3.29Å
25D94.1Very high90.5Very high76 Ų7676.3 Ų76.341%0.40636%0.361SS..EExtended strand (participates in β ladder)trans-69.7112.7171.8-171-21.1000109.8K13 Y15 G27K13-D25 IonicContact NZ-OD2 2.79Å; K13-D25 PolarHBondContact NZ-OD2 2.75Å; Y15-D25 HydrophobicContact CD1-CB 4.15Å; Y15-D25 HydrophobicContact CE1-CB 3.85Å; D25-G27 WeakPolarHBondContact OD1-CA 3.38Å; D25-G27 PolarHBondContact OD1-N 2.74Å
26K91.8Very high89.5Confident90 Ų9075.5 Ų75.539%0.39136%0.363SS..EExtended strand (participates in β ladder)trans-89.8-4.7178.4-63.3-62.3-179.7-174.70113.2L14 M16 D24L14-K26 HydrophobicContact CB-CB 4.24Å; L14-K26 HydrophobicContact CD2-CB 3.88Å; L14-K26 HydrophobicContact CD2-CG 4.48Å; L14-K26 HydrophobicContact CG-CB 3.96Å; L14-K26 HydrophobicContact CG-CG 4.44Å; L14-K26 PolarHBondContact O-N 2.76Å; M16-K26 HydrophobicContact CB-CD 4.36Å; M16-K26 VanDerWaalsContact CB-CE 3.41Å; M16-K26 HydrophobicContact CB-CG 3.94Å; M16-K26 VanDerWaalsContact SD-CE 3.5Å; D24-K26 PolarHBondContact O-N 3.29Å
27G92.2Very high88.5Confident23 Ų2382.8 Ų82.824%0.23740%0.396CS..EExtended strand (participates in β ladder)trans126.1168176.600000113.9L14 D25L14-G27 PolarHBondContact N-O 3.41Å; D25-G27 WeakPolarHBondContact OD1-CA 3.38Å; D25-G27 PolarHBondContact OD1-N 2.74Å
28T95Very high87.4Confident29 Ų2988.1 Ų88.118%0.17842%0.42CS..EExtended strand (participates in β ladder)trans-103.9137176.2-53.40000109.9R11 V12 K13 E48R11-T28 HydrophobicContact CG-CG2 4.08Å; V12-T28 WeakPolarHBondContact O-CA 3.23Å; V12-T28 WeakPolarHBondContact O-CG2 3.31Å; K13-T28 HydrophobicContact CG-CG2 4.4Å; K13-T28 WeakPolarHBondContact CG-OG1 3.24Å; T28-E48 WeakPolarHBondContact CB-OE1 3.46Å; T28-E48 PolarHBondContact O-N 2.97Å
29G93.9Very high86.7Confident0 Ų094.3 Ų94.30%045%0.448CS..EExtended strand (participates in β ladder)trans-159.2-170.9-178.100000113.2R11 V12 I46R11-G29 WeakPolarHBondContact CA-O 3.41Å; V12-G29 PolarHBondContact N-O 3.05Å; V12-G29 PolarHBondContact O-N 3.13Å; G29-I46 CarbonylContact C-O 3.52Å; G29-I46 WeakPolarHBondContact CA-O 3.45Å
30H94.8Very high86.5Confident49 Ų4988.3 Ų88.323%0.22742%0.415CS..EExtended strand (participates in β ladder)trans-111121177.1-64.185.2000110.2S7 R10 I46S7-H30 PolarHBondContact O-CD2 3.06Å; S7-H30 PolarHBondContact O-NE2 2.88Å; S7-H30 VanDerWaalsContact O-NE2 3.15Å; S7-H30 PolarHBondContact OG-NE2 2.79Å; R10-H30 CarbonylContact O-C 3.54Å; R10-H30 VanDerWaalsContact O-CA 3.29Å; R10-H30 WeakPolarHBondContact O-CA 3.3Å; H30-I46 PolarHBondContact N-O 3.48Å; H30-I46 PolarHBondContact O-N 3.5Å
31V95.5Very high86.7Confident3 Ų382.4 Ų82.42%0.01839%0.388CS..EExtended strand (participates in β ladder)trans-82.8143.4178.868.30000111.6R10 V12 V44 V45 L85 F87 V96R10-V31 PolarHBondContact O-N 2.85Å; V12-V31 HydrophobicContact CG1-CB 4.07Å; V12-V31 HydrophobicContact CG1-CG1 3.64Å; V12-V31 HydrophobicContact CG2-CB 3.93Å; V12-V31 HydrophobicContact CG2-CG1 4.39Å; V31-V44 CarbonylContact C-O 3.55Å; V31-V44 VanDerWaalsContact CA-O 3.3Å; V31-V44 WeakPolarHBondContact CA-O 3.29Å; V31-V45 HydrophobicContact CB-CG2 4.16Å; V31-V45 HydrophobicContact CG2-CG2 4.06Å; V31-L85 HydrophobicContact CG2-CD1 4.19Å; V31-F87 HydrophobicContact CG1-CD1 4.45Å; V31-F87 HydrophobicContact CG1-CE1 3.67Å; V31-F87 HydrophobicContact CG1-CZ 4.28Å; V31-V96 HydrophobicContact CG1-CG2 3.94Å; V31-V96 HydrophobicContact CG2-CG2 4.42Å
32S91.4Very high87.1Confident30 Ų3072.1 Ų72.121%0.2135%0.35CS..EExtended strand (participates in β ladder)trans-146.7132.2171.2-70.80000110V44S32-V44 PolarHBondContact N-O 2.87Å; S32-V44 PolarHBondContact O-N 3.25Å
33A90.9Very high87.5Confident7 Ų766.5 Ų66.56%0.05832%0.323CS..EExtended strand (participates in β ladder)trans-92113.1169.500000109.1M41 A42 L43 K99A33-M41 HydrophobicContact CB-CG 4.37Å; A33-M41 HydrophobicContact CB-SD 4.25Å; A33-A42 VanDerWaalsContact CA-O 3.32Å; A33-A42 WeakPolarHBondContact CA-O 3.44Å; A33-L43 HydrophobicContact CB-CD2 3.96Å; A33-K99 HydrophobicContact CB-CB 4.4Å; A33-K99 HydrophobicContact CB-CD 3.44Å; A33-K99 VanDerWaalsContact CB-CD 3.44Å
34L87.5Confident87.6Confident95 Ų9561.4 Ų61.450%0.49731%0.305SS..EExtended strand (participates in β ladder)trans-127.3150.8-172.3-61.8172000110.4M41 A42L34-M41 CarbonylContact O-C 3.48Å; L34-M41 WeakPolarHBondContact O-CA 3.3Å; L34-A42 PolarHBondContact N-O 3.2Å; L34-A42 PolarHBondContact O-N 3.13Å
35Y84.1Confident87.8Confident169 Ų16958.2 Ų58.266%0.66329%0.288SS*.EExtended strand (participates in β ladder)trans-77.4125.7168.4-75.4-84.9000109.6E39 M41Y35-E39 WeakPolarHBondContact CD1-O 3.44Å; Y35-M41 HydrophobicContact CD1-CB 4.48Å; Y35-M41 HydrophobicContact CD2-CE 4.2Å; Y35-M41 HydrophobicContact CE1-CB 4.36Å; Y35-M41 HydrophobicContact CE2-CE 3.63Å
36T75.6Confident87.8Confident41 Ų4157.7 Ų57.725%0.25229%0.285SS..  trans-72.7167.3171.152.10000110.9Q38 E39 N40 A42T36-Q38 PolarHBondContact O-N 3.08Å; T36-E39 PolarHBondContact O-N 3.46Å; T36-N40 PolarHBondContact N-O 2.64Å; T36-N40 PolarHBondContact OG1-N 2.92Å; T36-N40 PolarHBondContact OG1-O 2.89Å; T36-A42 HydrophobicContact CG2-CB 3.7Å
37E72.4Confident87.8Confident203 Ų20353.9 Ų53.995%0.94927%0.269SS*.THydrogen-bonded Turntrans-56.6-19.1177.6-63.1-170.9163.900113.7E39E37-E39 VanDerWaalsContact C-N 3.34Å
38Q70.1Confident87.8Confident155 Ų15556.9 Ų56.972%0.72428%0.277SS*.THydrogen-bonded Turntrans-93.318.7176.8-60.9-177.1-3.800113.5T36 N40T36-Q38 PolarHBondContact O-N 3.08Å; Q38-N40 PolarHBondContact O-N 3.22Å; Q38-N40 VanDerWaalsContact O-N 3.1Å; Q38-N40 PolarHBondContact O-ND2 3.41Å
39E72.3Confident87.3Confident167 Ų16761.3 Ų61.378%0.7830%0.304SS*.SBendtrans56.620.6-176.8-61.2-163163.700115.1Y35 T36 E37Y35-E39 WeakPolarHBondContact CD1-O 3.44Å; T36-E39 PolarHBondContact O-N 3.46Å; E37-E39 VanDerWaalsContact C-N 3.34Å
40N80.4Confident87.1Confident50 Ų5066.5 Ų66.527%0.26733%0.332SS..  trans-97.8137.2173.8-63.9-55000110.5T36 Q38 K58T36-N40 PolarHBondContact N-O 2.64Å; T36-N40 PolarHBondContact OG1-N 2.92Å; T36-N40 PolarHBondContact OG1-O 2.89Å; Q38-N40 PolarHBondContact O-N 3.22Å; Q38-N40 VanDerWaalsContact O-N 3.1Å; Q38-N40 PolarHBondContact O-ND2 3.41Å; N40-K58 HydrophobicContact CB-CD 4.04Å; N40-K58 HydrophobicContact CB-CG 4.31Å; N40-K58 VanDerWaalsContact CG-CE 3.45Å; N40-K58 VanDerWaalsContact CG-NZ 3.27Å; N40-K58 PolarHBondContact ND2-NZ 3.13Å; N40-K58 PolarHBondContact OD1-NZ 3.33Å
41M88.2Confident86.6Confident27 Ų2766.3 Ų66.313%0.13334%0.344CS..EExtended strand (participates in β ladder)trans-75.9130174.5-169.2170.7-93.800110.5A33 L34 Y35 I59 K99 V103A33-M41 HydrophobicContact CB-CG 4.37Å; A33-M41 HydrophobicContact CB-SD 4.25Å; L34-M41 CarbonylContact O-C 3.48Å; L34-M41 WeakPolarHBondContact O-CA 3.3Å; Y35-M41 HydrophobicContact CD1-CB 4.48Å; Y35-M41 HydrophobicContact CD2-CE 4.2Å; Y35-M41 HydrophobicContact CE1-CB 4.36Å; Y35-M41 HydrophobicContact CE2-CE 3.63Å; M41-I59 HydrophobicContact CB-CD1 4.46Å; M41-I59 HydrophobicContact CG-CD1 3.96Å; M41-I59 PolarHBondContact O-N 3.02Å; M41-I59 HydrophobicContact SD-CD1 4.24Å; M41-K99 HydrophobicContact SD-CB 4.02Å; M41-K99 HydrophobicContact SD-CD 4.44Å; M41-V103 HydrophobicContact CB-CG2 3.86Å; M41-V103 HydrophobicContact CG-CG2 4.25Å; M41-V103 HydrophobicContact SD-CG2 3.68Å
42A91.2Very high86.4Confident2 Ų268.3 Ų68.32%0.01736%0.358CS..EExtended strand (participates in β ladder)trans-127.8145.4178.500000111A33 L34 T36 S57A33-A42 VanDerWaalsContact CA-O 3.32Å; A33-A42 WeakPolarHBondContact CA-O 3.44Å; L34-A42 PolarHBondContact N-O 3.2Å; L34-A42 PolarHBondContact O-N 3.13Å; T36-A42 HydrophobicContact CG2-CB 3.7Å; A42-S57 CarbonylContact C-O 3.6Å; A42-S57 VanDerWaalsContact CA-O 3.23Å; A42-S57 WeakPolarHBondContact CA-O 3.39Å; A42-S57 WeakPolarHBondContact CB-O 3.1Å
43L93.3Very high86.3Confident0 Ų074.1 Ų74.10%038%0.376CS..EExtended strand (participates in β ladder)trans-83.8119.2169.1-62.9176.9000109A33 E56 S57 I59 Y65 W75 V96 I100A33-L43 HydrophobicContact CB-CD2 3.96Å; L43-E56 WeakPolarHBondContact O-CA 3.31Å; L43-S57 PolarHBondContact N-O 3.45Å; L43-S57 PolarHBondContact O-N 3.1Å; L43-I59 HydrophobicContact CD1-CG1 4.43Å; L43-I59 HydrophobicContact CD2-CD1 4.02Å; L43-I59 HydrophobicContact CD2-CG1 4.44Å; L43-I59 HydrophobicContact CG-CD1 4.04Å; L43-I59 HydrophobicContact CG-CG1 3.91Å; L43-Y65 HydrophobicContact CD1-CE1 4.45Å; L43-W75 HydrophobicContact CD1-CH2 4.35Å; L43-V96 HydrophobicContact CD2-CG1 3.62Å; L43-I100 HydrophobicContact CD1-CD1 4.09Å; L43-I100 HydrophobicContact CD1-CG1 4.44Å
44V93.9Very high86.3Confident7 Ų776 Ų764%0.04239%0.385CS..EExtended strand (participates in β ladder)trans-116.4127.8179.5176.50000109V31 S32 I46 Y53 L55 E56V31-V44 CarbonylContact C-O 3.55Å; V31-V44 VanDerWaalsContact CA-O 3.3Å; V31-V44 WeakPolarHBondContact CA-O 3.29Å; S32-V44 PolarHBondContact N-O 2.87Å; S32-V44 PolarHBondContact O-N 3.25Å; V44-I46 HydrophobicContact CG1-CG1 3.98Å; V44-Y53 HydrophobicContact CG1-CD1 3.56Å; V44-Y53 HydrophobicContact CG1-CE1 3.39Å; V44-L55 CarbonylContact C-O 3.45Å; V44-L55 VanDerWaalsContact CA-O 3.3Å; V44-L55 WeakPolarHBondContact CA-O 3.47Å; V44-E56 HydrophobicContact CG2-CG 4.28Å
45V95.4Very high86.6Confident0 Ų072.4 Ų72.40%037%0.366CS..EExtended strand (participates in β ladder)trans-114119.8171.6-176.10000108.9V12 V31 L54 L55 L85V12-V45 HydrophobicContact CG2-CG1 3.85Å; V12-V45 HydrophobicContact CG2-CG2 4.15Å; V31-V45 HydrophobicContact CB-CG2 4.16Å; V31-V45 HydrophobicContact CG2-CG2 4.06Å; V45-L54 HydrophobicContact CB-CB 4.24Å; V45-L54 HydrophobicContact CG1-CB 4.11Å; V45-L54 HydrophobicContact CG1-CD1 4.12Å; V45-L54 PolarHBondContact O-N 2.88Å; V45-L55 HydrophobicContact CB-CB 4.01Å; V45-L55 HydrophobicContact CG2-CB 3.99Å; V45-L55 HydrophobicContact CG2-CD2 4.21Å; V45-L55 PolarHBondContact N-O 2.68Å; V45-L55 PolarHBondContact O-N 3.34Å; V45-L85 HydrophobicContact CG2-CD2 3.81Å
46I93.8Very high87Confident65 Ų6570.1 Ų70.133%0.33336%0.361SS..EExtended strand (participates in β ladder)trans-102.3123.9178.2-58.3179.9000108.9G29 H30 V44 G51 S52G29-I46 CarbonylContact C-O 3.52Å; G29-I46 WeakPolarHBondContact CA-O 3.45Å; H30-I46 PolarHBondContact N-O 3.48Å; H30-I46 PolarHBondContact O-N 3.5Å; V44-I46 HydrophobicContact CG1-CG1 3.98Å; I46-G51 WeakPolarHBondContact CG2-O 3.32Å; I46-S52 CarbonylContact C-O 3.46Å; I46-S52 WeakPolarHBondContact CA-O 3.48Å
47S92.7Very high87.7Confident9 Ų968.2 Ų68.26%0.06335%0.35CS..EExtended strand (participates in β ladder)trans-56.4134.9178168.70000111.6T49 D50 G51 S52S47-T49 VanDerWaalsContact C-N 3.27Å; S47-T49 PolarHBondContact O-N 3.15Å; S47-T49 PolarHBondContact OG-N 2.89Å; S47-T49 PolarHBondContact OG-OG1 3.15Å; S47-D50 WeakPolarHBondContact CB-OD1 3.35Å; S47-D50 PolarHBondContact OG-OD1 3.11Å; S47-G51 VanDerWaalsContact O-CA 3.24Å; S47-G51 WeakPolarHBondContact O-CA 3.43Å; S47-G51 PolarHBondContact O-N 3.4Å; S47-S52 WeakPolarHBondContact CB-O 3.32Å; S47-S52 PolarHBondContact N-O 3.42Å
48E90.8Very high88.6Confident86 Ų8662.7 Ų62.740%0.40232%0.323SS..THydrogen-bonded Turntrans-74.9-19.4175.371.2172.9152.700113.6R11 T28R11-E48 IonicContact CZ-OE1 2.74Å; R11-E48 IonicContact CZ-OE2 3.83Å; R11-E48 IonicContact NH1-OE1 3.11Å; R11-E48 IonicContact NH1-OE2 3.53Å; R11-E48 PolarHBondContact NH1-OE2 3.21Å; R11-E48 IonicContact NH2-OE1 3.08Å; R11-E48 PolarHBondContact NH2-OE1 3.49Å; R11-E48 IonicContact NH2-OE2 2.76Å; R11-E48 PolarHBondContact NH2-OE2 2.95Å; T28-E48 WeakPolarHBondContact CB-OE1 3.46Å; T28-E48 PolarHBondContact O-N 2.97Å
49T86Confident89.6Confident122 Ų12255.6 Ų55.675%0.74829%0.289SS*.THydrogen-bonded Turntrans-85.7-38.1-170.955.70000112.3S47S47-T49 VanDerWaalsContact C-N 3.27Å; S47-T49 PolarHBondContact O-N 3.15Å; S47-T49 PolarHBondContact OG-N 2.89Å; S47-T49 PolarHBondContact OG-OG1 3.15Å
50D87.9Confident90.4Very high109 Ų10950.9 Ų50.958%0.58327%0.268SS*.THydrogen-bonded Turntrans-135.6-5.3-174.166.3-12.9000113.8S47 S52S47-D50 WeakPolarHBondContact CB-OD1 3.35Å; S47-D50 PolarHBondContact OG-OD1 3.11Å; D50-S52 VanDerWaalsContact CG-OG 3.23Å; D50-S52 PolarHBondContact O-N 3.12Å; D50-S52 WeakPolarHBondContact OD1-CB 3.41Å; D50-S52 PolarHBondContact OD1-N 3.24Å; D50-S52 VanDerWaalsContact OD1-N 3.13Å; D50-S52 PolarHBondContact OD1-OG 2.89Å; D50-S52 WeakPolarHBondContact OD2-CB 3.38Å; D50-S52 PolarHBondContact OD2-OG 3.31Å
51G84.8Confident90.6Very high46 Ų4652.6 Ų52.647%0.47428%0.281SS..  trans72.912.3-178.200000114.4I46 S47I46-G51 WeakPolarHBondContact CG2-O 3.32Å; S47-G51 VanDerWaalsContact O-CA 3.24Å; S47-G51 WeakPolarHBondContact O-CA 3.43Å; S47-G51 PolarHBondContact O-N 3.4Å
52S91.3Very high90.5Very high45 Ų4556.8 Ų56.832%0.31530%0.304SS..  trans-74.3162175.366.40000111.9I46 S47 D50 L54I46-S52 CarbonylContact C-O 3.46Å; I46-S52 WeakPolarHBondContact CA-O 3.48Å; S47-S52 WeakPolarHBondContact CB-O 3.32Å; S47-S52 PolarHBondContact N-O 3.42Å; D50-S52 VanDerWaalsContact CG-OG 3.23Å; D50-S52 PolarHBondContact O-N 3.12Å; D50-S52 WeakPolarHBondContact OD1-CB 3.41Å; D50-S52 PolarHBondContact OD1-N 3.24Å; D50-S52 VanDerWaalsContact OD1-N 3.13Å; D50-S52 PolarHBondContact OD1-OG 2.89Å; D50-S52 WeakPolarHBondContact OD2-CB 3.38Å; D50-S52 PolarHBondContact OD2-OG 3.31Å; S52-L54 PolarHBondContact O-N 3.44Å
53Y90Very high90.5Very high152 Ų15257.6 Ų57.660%0.59631%0.309SS*.EExtended strand (participates in β ladder)trans-76.7116.1172.5-73.1-100.3000109.4V44V44-Y53 HydrophobicContact CG1-CD1 3.56Å; V44-Y53 HydrophobicContact CG1-CE1 3.39Å
54L91.1Very high90.3Very high47 Ų4759.2 Ų59.225%0.24632%0.322CS..EExtended strand (participates in β ladder)trans-83.1-32.6169.8-64.2-179.8000111.5L14 V45 S52L14-L54 HydrophobicContact CD2-CB 4.15Å; L14-L54 WeakPolarHBondContact CD2-O 3.29Å; V45-L54 HydrophobicContact CB-CB 4.24Å; V45-L54 HydrophobicContact CG1-CB 4.11Å; V45-L54 HydrophobicContact CG1-CD1 4.12Å; V45-L54 PolarHBondContact O-N 2.88Å; S52-L54 PolarHBondContact O-N 3.44Å
55L93Very high90.3Very high18 Ų1858.9 Ų58.99%0.09432%0.32CS..EExtended strand (participates in β ladder)trans-150.2139.4178.4-177.569000110.1L14 V44 V45 W75 L83L14-L55 HydrophobicContact CD1-CD2 3.97Å; L14-L55 HydrophobicContact CD2-CB 3.85Å; V44-L55 CarbonylContact C-O 3.45Å; V44-L55 VanDerWaalsContact CA-O 3.3Å; V44-L55 WeakPolarHBondContact CA-O 3.47Å; V45-L55 HydrophobicContact CB-CB 4.01Å; V45-L55 HydrophobicContact CG2-CB 3.99Å; V45-L55 HydrophobicContact CG2-CD2 4.21Å; V45-L55 PolarHBondContact N-O 2.68Å; V45-L55 PolarHBondContact O-N 3.34Å; L55-W75 HydrophobicContact CD2-CH2 3.76Å; L55-W75 HydrophobicContact CD2-CZ2 3.82Å; L55-L83 HydrophobicContact CD1-CD1 3.99Å
56E91.8Very high90.3Very high122 Ų12262.6 Ų62.657%0.5734%0.338SS*.EExtended strand (participates in β ladder)trans-136.5102.7160.8179.4173.7-15400106.7L43 V44L43-E56 WeakPolarHBondContact O-CA 3.31Å; V44-E56 HydrophobicContact CG2-CG 4.28Å
57S91.8Very high90.3Very high1 Ų161.3 Ų61.31%0.00733%0.33CS..EExtended strand (participates in β ladder)trans-123.9127.2-174.3-178.30000109.8A42 L43 E77A42-S57 CarbonylContact C-O 3.6Å; A42-S57 VanDerWaalsContact CA-O 3.23Å; A42-S57 WeakPolarHBondContact CA-O 3.39Å; A42-S57 WeakPolarHBondContact CB-O 3.1Å; L43-S57 PolarHBondContact N-O 3.45Å; L43-S57 PolarHBondContact O-N 3.1Å; S57-E77 VanDerWaalsContact CB-OE2 3.31Å; S57-E77 WeakPolarHBondContact CB-OE2 3.42Å; S57-E77 PolarHBondContact OG-OE1 2.8Å; S57-E77 PolarHBondContact OG-OE2 2.68Å
58K90.5Very high90.1Very high87 Ų8764.3 Ų64.338%0.37834%0.342SS..EExtended strand (participates in β ladder)trans-78.9130.4-178.8177.4176.7165.51750109.3N40 Q60N40-K58 HydrophobicContact CB-CD 4.04Å; N40-K58 HydrophobicContact CB-CG 4.31Å; N40-K58 VanDerWaalsContact CG-CE 3.45Å; N40-K58 VanDerWaalsContact CG-NZ 3.27Å; N40-K58 PolarHBondContact ND2-NZ 3.13Å; N40-K58 PolarHBondContact OD1-NZ 3.33Å; K58-Q60 WeakPolarHBondContact O-CG 3.44Å; K58-Q60 PolarHBondContact O-N 3.46Å
59I92.2Very high89.9Confident5 Ų568 Ų683%0.02636%0.359CS..  trans-7299.2174.2-54174.6000108.1M41 L43 Y65 I100 V103M41-I59 HydrophobicContact CB-CD1 4.46Å; M41-I59 HydrophobicContact CG-CD1 3.96Å; M41-I59 PolarHBondContact O-N 3.02Å; M41-I59 HydrophobicContact SD-CD1 4.24Å; L43-I59 HydrophobicContact CD1-CG1 4.43Å; L43-I59 HydrophobicContact CD2-CD1 4.02Å; L43-I59 HydrophobicContact CD2-CG1 4.44Å; L43-I59 HydrophobicContact CG-CD1 4.04Å; L43-I59 HydrophobicContact CG-CG1 3.91Å; I59-Y65 HydrophobicContact CG2-CE2 4.12Å; I59-I100 HydrophobicContact CD1-CG1 3.96Å; I59-I100 HydrophobicContact CG2-CG2 4.27Å; I59-V103 HydrophobicContact CB-CG1 4.14Å; I59-V103 HydrophobicContact CD1-CG2 4.41Å; I59-V103 HydrophobicContact CG2-CB 3.95Å; I59-V103 HydrophobicContact CG2-CG1 3.76Å; I59-V103 HydrophobicContact CG2-CG2 4.49Å
60Q87.4Confident90Very high69 Ų6967.2 Ų67.232%0.32235%0.348SS..  trans-82.4146.5179.3-47.5-160.354.500111.2K58 D62 T63 Q104K58-Q60 WeakPolarHBondContact O-CG 3.44Å; K58-Q60 PolarHBondContact O-N 3.46Å; Q60-D62 VanDerWaalsContact CB-OD1 3.28Å; Q60-D62 WeakPolarHBondContact CB-OD1 3.48Å; Q60-D62 PolarHBondContact O-N 3.2Å; Q60-T63 WeakPolarHBondContact CB-OG1 3.37Å; Q60-Q104 PolarHBondContact O-NE2 2.98Å
61P85.6Confident90.2Very high85 Ų8564.1 Ų64.155%0.55233%0.332SS*.SBendtrans-63.2-27.9180-19.632000113.9Q114P61-Q114 PolarHBondContact O-NE2 3.06Å
62D86.4Confident90.7Very high116 Ų11663.4 Ų63.462%0.6232%0.318SS*.SBendtrans-102.8-11.7-169.653.6-31.6000114.2Q60Q60-D62 VanDerWaalsContact CB-OD1 3.28Å; Q60-D62 WeakPolarHBondContact CB-OD1 3.48Å; Q60-D62 PolarHBondContact O-N 3.2Å
63T89.8Confident90.9Very high19 Ų1961.3 Ų61.312%0.11730%0.303CS..  trans-71.6130.5175.1-58.80000111.4Q60 Y65 W75 S76 Q104Q60-T63 WeakPolarHBondContact CB-OG1 3.37Å; T63-Y65 HydrophobicContact CG2-CD2 4.15Å; T63-Y65 HydrophobicContact CG2-CE2 3.7Å; T63-Y65 WeakPolarHBondContact O-CD2 3.45Å; T63-Y65 PolarHBondContact O-N 2.84Å; T63-W75 HydrophobicContact CG2-CB 4.07Å; T63-W75 HydrophobicContact CG2-CG 4.38Å; T63-S76 WeakPolarHBondContact CG2-O 3.01Å; T63-Q104 PolarHBondContact O-NE2 3.16Å
64A90.3Very high91.2Very high33 Ų3355 Ų5527%0.27328%0.281SS..  trans-76.8110.1170.500000110.2Q114 V116A64-Q114 HydrophobicContact CB-CB 3.97Å; A64-V116 HydrophobicContact CB-CG2 4.44Å
65Y94.7Very high91.4Very high1 Ų153 Ų530%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-94.9140168.2-65.2-96000108.6L43 I59 T63 I73 W75 W97 I100 I112 T113L43-Y65 HydrophobicContact CD1-CE1 4.45Å; I59-Y65 HydrophobicContact CG2-CE2 4.12Å; T63-Y65 HydrophobicContact CG2-CD2 4.15Å; T63-Y65 HydrophobicContact CG2-CE2 3.7Å; T63-Y65 WeakPolarHBondContact O-CD2 3.45Å; T63-Y65 PolarHBondContact O-N 2.84Å; Y65-I73 HydrophobicContact CD1-CG2 4.38Å; Y65-W75 HydrophobicContact CD1-CB 3.52Å; Y65-W75 AromaticContact CD1-CD2 3.85Å; Y65-W75 HydrophobicContact CD1-CD2 3.85Å; Y65-W75 HydrophobicContact CD1-CE3 4.05Å; Y65-W75 AromaticContact CD1-CG 3.63Å; Y65-W75 HydrophobicContact CD1-CG 3.63Å; Y65-W75 HydrophobicContact CE1-CB 3.78Å; Y65-W75 AromaticContact CE1-CD1 3.72Å; Y65-W75 AromaticContact CE1-CD2 3.56Å; Y65-W75 HydrophobicContact CE1-CD2 3.56Å; Y65-W75 AromaticContact CE1-CE2 3.99Å; Y65-W75 HydrophobicContact CE1-CE3 4.11Å; Y65-W75 AromaticContact CE1-CG 3.39Å; Y65-W75 HydrophobicContact CE1-CG 3.39Å; Y65-W75 HydrophobicContact CG-CB 4.07Å; Y65-W97 WeakPolarHBondContact O-CH2 3.02Å; Y65-I100 HydrophobicContact CD1-CD1 4Å; Y65-I100 HydrophobicContact CD1-CG2 4.2Å; Y65-I100 HydrophobicContact CD2-CG2 3.58Å; Y65-I100 HydrophobicContact CE1-CD1 4.41Å; Y65-I100 HydrophobicContact CE2-CG2 4.15Å; Y65-I100 HydrophobicContact CG-CD1 4.42Å; Y65-I100 HydrophobicContact CG-CG2 3.64Å; Y65-I112 WeakPolarHBondContact O-CA 3.4Å; Y65-T113 PolarHBondContact N-OG1 3.5Å; Y65-T113 PolarHBondContact O-N 2.99Å; Y65-T113 PolarHBondContact O-OG1 3.37Å
66Q93.8Very high91.3Very high78 Ų7855 Ų5536%0.36429%0.285SS..EExtended strand (participates in β ladder)trans-125.4130.6178-166.6-176.721.200111.1Q68 I73 V74 E111 I112Q66-Q68 HydrophobicContact CG-CG 4.23Å; Q66-I73 CarbonylContact O-C 3.52Å; Q66-I73 WeakPolarHBondContact O-CA 3.44Å; Q66-V74 PolarHBondContact N-O 3.42Å; Q66-V74 PolarHBondContact O-N 2.76Å; Q66-E111 CarbonylContact C-O 3.42Å; Q66-E111 VanDerWaalsContact CA-O 3.31Å; Q66-E111 WeakPolarHBondContact CA-O 3.45Å; Q66-I112 HydrophobicContact CB-CG1 4.41Å; Q66-I112 HydrophobicContact CG-CB 4.43Å
67K94.5Very high91.1Very high38 Ų3851 Ų5117%0.16527%0.266CS..EExtended strand (participates in β ladder)trans-97.2124173.4-172.4-178.5-179.1-1750109.8L72 D94 W97 E111K67-L72 CarbonylContact C-O 3.56Å; K67-L72 WeakPolarHBondContact CA-O 3.45Å; K67-D94 IonicContact NZ-OD1 3.56Å; K67-D94 PolarHBondContact NZ-OD1 3.11Å; K67-W97 HydrophobicContact CB-CD2 3.93Å; K67-W97 HydrophobicContact CB-CE3 3.89Å; K67-W97 HydrophobicContact CB-CH2 3.72Å; K67-W97 HydrophobicContact CB-CZ2 3.76Å; K67-W97 HydrophobicContact CB-CZ3 3.78Å; K67-W97 HydrophobicContact CD-CD2 3.99Å; K67-W97 HydrophobicContact CD-CG 3.94Å; K67-W97 HydrophobicContact CG-CD2 4.41Å; K67-W97 VanDerWaalsContact N-CH2 3.35Å; K67-E111 PolarHBondContact N-O 2.94Å
68Q89.2Confident90.5Very high71 Ų7153.9 Ų53.933%0.33230%0.296SS..EExtended strand (participates in β ladder)trans-121.8145179.7-59-178.14.100110.5Q66 E70 T71 L72Q66-Q68 HydrophobicContact CG-CG 4.23Å; Q68-E70 PolarHBondContact O-N 3.32Å; Q68-T71 PolarHBondContact O-N 3.24Å; Q68-L72 HydrophobicContact CB-CB 4.21Å; Q68-L72 HydrophobicContact CB-CD2 4.17Å; Q68-L72 PolarHBondContact N-O 3.02Å; Q68-L72 VanDerWaalsContact O-CB 3.32Å; Q68-L72 WeakPolarHBondContact O-CB 3.21Å; Q68-L72 PolarHBondContact O-N 3.34Å
69Q85.4Confident89.5Confident163 Ų16358.8 Ų58.876%0.76232%0.32SS*.THydrogen-bonded Turntrans49.532.6171.5-58.7174.5-4.300115.7T71Q69-T71 PolarHBondContact O-N 3.25Å; Q69-T71 PolarHBondContact O-OG1 2.63Å
70E88Confident88.6Confident107 Ų10765.4 Ų65.450%0.536%0.356SS..THydrogen-bonded Turntrans60.8-13.4-177.3-48.2-164.8137.200117.2Q68 K90 C93Q68-E70 PolarHBondContact O-N 3.32Å; E70-K90 HydrophobicContact CB-CD 4.17Å; E70-K90 HydrophobicContact CB-CG 4.19Å; E70-K90 IonicContact OE1-NZ 3.55Å; E70-K90 PolarHBondContact OE1-NZ 2.65Å; E70-K90 VanDerWaalsContact OE2-CD 3.29Å; E70-K90 WeakPolarHBondContact OE2-CD 3.3Å; E70-K90 VanDerWaalsContact OE2-CE 3.3Å; E70-K90 WeakPolarHBondContact OE2-CE 3.38Å; E70-K90 IonicContact OE2-NZ 2.87Å; E70-K90 PolarHBondContact OE2-NZ 2.71Å; E70-C93 WeakPolarHBondContact O-CB 3.4Å; E70-C93 PolarHBondContact O-SG 3.07Å; E70-C93 VanDerWaalsContact O-SG 3.37Å
71T93.5Very high88.4Confident43 Ų4366.1 Ų66.126%0.26436%0.36SS..THydrogen-bonded Turntrans-132.75.9-17054.80000113.7Q68 Q69 F87 K90Q68-T71 PolarHBondContact O-N 3.24Å; Q69-T71 PolarHBondContact O-N 3.25Å; Q69-T71 PolarHBondContact O-OG1 2.63Å; T71-F87 WeakPolarHBondContact O-CD2 3.29Å; T71-F87 PolarHBondContact O-N 2.85Å; T71-K90 HydrophobicContact CG2-CB 4.26Å
72L95Very high88.8Confident32 Ų3264.7 Ų64.717%0.16835%0.348CS..EExtended strand (participates in β ladder)trans-124.5135.9-179.8-167.871.7000110.3K67 Q68 V74 A84 L85K67-L72 CarbonylContact C-O 3.56Å; K67-L72 WeakPolarHBondContact CA-O 3.45Å; Q68-L72 HydrophobicContact CB-CB 4.21Å; Q68-L72 HydrophobicContact CB-CD2 4.17Å; Q68-L72 PolarHBondContact N-O 3.02Å; Q68-L72 VanDerWaalsContact O-CB 3.32Å; Q68-L72 WeakPolarHBondContact O-CB 3.21Å; Q68-L72 PolarHBondContact O-N 3.34Å; L72-V74 HydrophobicContact CD2-CG2 3.87Å; L72-V74 HydrophobicContact CG-CG2 3.92Å; L72-A84 HydrophobicContact CD1-CB 4.26Å; L72-L85 WeakPolarHBondContact CA-O 3.48Å
73I96Very high89.2Confident0 Ų059.3 Ų59.30%032%0.319CS..EExtended strand (participates in β ladder)trans-124.2125.5169.8-61.6171.6000108.2Y65 Q66 W75 A84 L85 F87 V96 W97 I100Y65-I73 HydrophobicContact CD1-CG2 4.38Å; Q66-I73 CarbonylContact O-C 3.52Å; Q66-I73 WeakPolarHBondContact O-CA 3.44Å; I73-W75 HydrophobicContact CG2-CE3 4.22Å; I73-W75 HydrophobicContact CG2-CZ3 4.48Å; I73-A84 CarbonylContact O-C 3.52Å; I73-A84 WeakPolarHBondContact O-CA 3.31Å; I73-L85 PolarHBondContact N-O 3.21Å; I73-L85 PolarHBondContact O-N 3.47Å; I73-F87 HydrophobicContact CB-CE2 4.37Å; I73-F87 HydrophobicContact CD1-CE2 3.74Å; I73-F87 HydrophobicContact CD1-CZ 3.96Å; I73-F87 HydrophobicContact CG1-CE2 4.02Å; I73-V96 HydrophobicContact CD1-CB 4.38Å; I73-V96 HydrophobicContact CD1-CG1 4.15Å; I73-W97 HydrophobicContact CD1-CB 4.28Å; I73-W97 HydrophobicContact CD1-CE3 3.88Å; I73-W97 HydrophobicContact CG1-CE3 3.93Å; I73-W97 HydrophobicContact CG1-CZ3 4.39Å; I73-W97 HydrophobicContact CG2-CE3 4.18Å; I73-W97 HydrophobicContact CG2-CZ3 4Å; I73-I100 HydrophobicContact CD1-CD1 4.29Å; I73-I100 HydrophobicContact CG2-CD1 4.18Å
74V96.1Very high89.5Confident21 Ų2158.6 Ų58.613%0.12732%0.315CS..EExtended strand (participates in β ladder)trans-122.1139.7-177-168.90000109.6W23 Q66 L72 L83 A84W23-V74 HydrophobicContact CH2-CG1 3.93Å; W23-V74 HydrophobicContact CZ2-CG1 4.28Å; Q66-V74 PolarHBondContact N-O 3.42Å; Q66-V74 PolarHBondContact O-N 2.76Å; L72-V74 HydrophobicContact CD2-CG2 3.87Å; L72-V74 HydrophobicContact CG-CG2 3.92Å; V74-L83 VanDerWaalsContact CA-O 3.32Å; V74-L83 WeakPolarHBondContact CA-O 3.48Å; V74-L83 WeakPolarHBondContact CG1-O 3.41Å; V74-A84 HydrophobicContact CG1-CB 4.41Å; V74-A84 HydrophobicContact CG2-CB 3.98Å
75W95.3Very high89.8Confident5 Ų557 Ų572%0.01930%0.302CS..EExtended strand (participates in β ladder)trans-157.3165.6173.273.499.3000111.4L43 L55 T63 Y65 I73 L83 L85L43-W75 HydrophobicContact CD1-CH2 4.35Å; L55-W75 HydrophobicContact CD2-CH2 3.76Å; L55-W75 HydrophobicContact CD2-CZ2 3.82Å; T63-W75 HydrophobicContact CG2-CB 4.07Å; T63-W75 HydrophobicContact CG2-CG 4.38Å; Y65-W75 HydrophobicContact CD1-CB 3.52Å; Y65-W75 AromaticContact CD1-CD2 3.85Å; Y65-W75 HydrophobicContact CD1-CD2 3.85Å; Y65-W75 HydrophobicContact CD1-CE3 4.05Å; Y65-W75 AromaticContact CD1-CG 3.63Å; Y65-W75 HydrophobicContact CD1-CG 3.63Å; Y65-W75 HydrophobicContact CE1-CB 3.78Å; Y65-W75 AromaticContact CE1-CD1 3.72Å; Y65-W75 AromaticContact CE1-CD2 3.56Å; Y65-W75 HydrophobicContact CE1-CD2 3.56Å; Y65-W75 AromaticContact CE1-CE2 3.99Å; Y65-W75 HydrophobicContact CE1-CE3 4.11Å; Y65-W75 AromaticContact CE1-CG 3.39Å; Y65-W75 HydrophobicContact CE1-CG 3.39Å; Y65-W75 HydrophobicContact CG-CB 4.07Å; I73-W75 HydrophobicContact CG2-CE3 4.22Å; I73-W75 HydrophobicContact CG2-CZ3 4.48Å; W75-L83 HydrophobicContact CD2-CB 4.13Å; W75-L83 HydrophobicContact CE3-CB 4.36Å; W75-L83 HydrophobicContact CH2-CB 4.04Å; W75-L83 HydrophobicContact CZ2-CB 3.79Å; W75-L83 HydrophobicContact CZ2-CD1 3.65Å; W75-L83 HydrophobicContact CZ2-CG 4.37Å; W75-L83 HydrophobicContact CZ3-CB 4.31Å; W75-L83 PolarHBondContact N-O 3.49Å; W75-L83 PolarHBondContact O-N 3.04Å; W75-L85 HydrophobicContact CH2-CD1 3.79Å; W75-L85 HydrophobicContact CH2-CG 3.81Å; W75-L85 HydrophobicContact CZ3-CB 4.45Å; W75-L85 HydrophobicContact CZ3-CD1 3.91Å; W75-L85 HydrophobicContact CZ3-CG 3.8Å
76S91Very high89.9Confident59 Ų5958.9 Ų58.941%0.41332%0.315SS..EExtended strand (participates in β ladder)trans-110.9129.4175.1-48.10000110.4T63 M81 D82T63-S76 WeakPolarHBondContact CG2-O 3.01Å; S76-M81 CarbonylContact C-O 3.55Å; S76-M81 VanDerWaalsContact CA-O 3.31Å; S76-M81 WeakPolarHBondContact CA-O 3.41Å; S76-D82 VanDerWaalsContact CB-OD1 3.32Å; S76-D82 WeakPolarHBondContact CB-OD1 3.37Å; S76-D82 PolarHBondContact OG-OD1 3.41Å
77E86.5Confident90Very high39 Ų3955.5 Ų55.518%0.18230%0.299CS..  trans-111.697.3177.2-171.9164.2-156.200110.6S57 M81 L83S57-E77 VanDerWaalsContact CB-OE2 3.31Å; S57-E77 WeakPolarHBondContact CB-OE2 3.42Å; S57-E77 PolarHBondContact OG-OE1 2.8Å; S57-E77 PolarHBondContact OG-OE2 2.68Å; E77-M81 HydrophobicContact CB-CE 4.41Å; E77-M81 HydrophobicContact CG-CE 4.38Å; E77-M81 PolarHBondContact N-O 3.2Å; E77-M81 WeakPolarHBondContact O-CB 3.05Å; E77-M81 WeakPolarHBondContact O-CE 3.32Å; E77-L83 HydrophobicContact CB-CD1 4.27Å
78G79.6Confident90Very high61 Ų6159.4 Ų59.463%0.62932%0.318SS*.SBendtrans80-169.3-172.600000112.7N80G78-N80 VanDerWaalsContact C-N 3.35Å; G78-N80 PolarHBondContact O-N 2.88Å
79E69Low90.1Very high189 Ų18959.2 Ų59.288%0.88332%0.317SS*.THydrogen-bonded Turntrans-71.4-22.1-169.9-69.5177.7176.900114.6
80N72.9Confident90.4Very high145 Ų14555.4 Ų55.478%0.77530%0.298SS*.THydrogen-bonded Turntrans-142.225.5-168.4-61.7-41.8000114.6G78G78-N80 VanDerWaalsContact C-N 3.35Å; G78-N80 PolarHBondContact O-N 2.88Å
81M84.6Confident90.6Very high84 Ų8453.7 Ų53.741%0.41430%0.295SS..  trans-128.495.9175.8-65.7-168.9-64.900111.4S76 E77S76-M81 CarbonylContact C-O 3.55Å; S76-M81 VanDerWaalsContact CA-O 3.31Å; S76-M81 WeakPolarHBondContact CA-O 3.41Å; E77-M81 HydrophobicContact CB-CE 4.41Å; E77-M81 HydrophobicContact CG-CE 4.38Å; E77-M81 PolarHBondContact N-O 3.2Å; E77-M81 WeakPolarHBondContact O-CB 3.05Å; E77-M81 WeakPolarHBondContact O-CE 3.32Å
82D92.5Very high90.5Very high55 Ų5551.8 Ų51.829%0.29428%0.283SS..EExtended strand (participates in β ladder)trans-88.1125.2168.7-59.1-46.4000109.6M16 L17 W23 S76M16-D82 VanDerWaalsContact CA-O 3.3Å; M16-D82 WeakPolarHBondContact CA-O 3.21Å; L17-D82 HydrophobicContact CB-CB 3.77Å; L17-D82 HydrophobicContact CD2-CB 4.28Å; L17-D82 WeakPolarHBondContact CD2-OD2 3.43Å; L17-D82 PolarHBondContact N-O 2.81Å; W23-D82 HydrophobicContact CH2-CB 4.05Å; W23-D82 HydrophobicContact CZ3-CB 4.44Å; S76-D82 VanDerWaalsContact CB-OD1 3.32Å; S76-D82 WeakPolarHBondContact CB-OD1 3.37Å; S76-D82 PolarHBondContact OG-OD1 3.41Å
83L95.4Very high90.5Very high3 Ų350.2 Ų50.22%0.01628%0.275CS..EExtended strand (participates in β ladder)trans-121.6143.5-174.4-66.5170.3000110L14 Y15 M16 L55 V74 W75 E77L14-L83 HydrophobicContact CD1-CD2 4.42Å; Y15-L83 WeakPolarHBondContact O-CA 3.3Å; M16-L83 HydrophobicContact CB-CD2 4.12Å; M16-L83 HydrophobicContact CE-CD2 3.68Å; M16-L83 HydrophobicContact CG-CD2 4.03Å; L55-L83 HydrophobicContact CD1-CD1 3.99Å; V74-L83 VanDerWaalsContact CA-O 3.32Å; V74-L83 WeakPolarHBondContact CA-O 3.48Å; V74-L83 WeakPolarHBondContact CG1-O 3.41Å; W75-L83 HydrophobicContact CD2-CB 4.13Å; W75-L83 HydrophobicContact CE3-CB 4.36Å; W75-L83 HydrophobicContact CH2-CB 4.04Å; W75-L83 HydrophobicContact CZ2-CB 3.79Å; W75-L83 HydrophobicContact CZ2-CD1 3.65Å; W75-L83 HydrophobicContact CZ2-CG 4.37Å; W75-L83 HydrophobicContact CZ3-CB 4.31Å; W75-L83 PolarHBondContact N-O 3.49Å; W75-L83 PolarHBondContact O-N 3.04Å; E77-L83 HydrophobicContact CB-CD1 4.27Å
84A96.8Very high90.4Very high4 Ų452.8 Ų52.83%0.03329%0.289CS..EExtended strand (participates in β ladder)trans-136.7135172.700000111.9Y15 W23 L72 I73 V74Y15-A84 PolarHBondContact N-O 2.97Å; Y15-A84 PolarHBondContact O-N 2.74Å; W23-A84 HydrophobicContact CE3-CB 4.3Å; W23-A84 HydrophobicContact CH2-CB 3.95Å; W23-A84 HydrophobicContact CZ3-CB 3.79Å; L72-A84 HydrophobicContact CD1-CB 4.26Å; I73-A84 CarbonylContact O-C 3.52Å; I73-A84 WeakPolarHBondContact O-CA 3.31Å; V74-A84 HydrophobicContact CG1-CB 4.41Å; V74-A84 HydrophobicContact CG2-CB 3.98Å
85L96.7Very high90.3Very high0 Ų054.3 Ų54.30%030%0.296CS..EExtended strand (participates in β ladder)trans-107.6113.6171.1-69.7176.2000109.6V12 L14 V31 V45 L72 I73 W75 F87V12-L85 HydrophobicContact CB-CD2 4.44Å; V12-L85 HydrophobicContact CG2-CD2 4.07Å; L14-L85 HydrophobicContact CB-CD2 4.32Å; L14-L85 HydrophobicContact CD1-CD2 3.69Å; V31-L85 HydrophobicContact CG2-CD1 4.19Å; V45-L85 HydrophobicContact CG2-CD2 3.81Å; L72-L85 WeakPolarHBondContact CA-O 3.48Å; I73-L85 PolarHBondContact N-O 3.21Å; I73-L85 PolarHBondContact O-N 3.47Å; W75-L85 HydrophobicContact CH2-CD1 3.79Å; W75-L85 HydrophobicContact CH2-CG 3.81Å; W75-L85 HydrophobicContact CZ3-CB 4.45Å; W75-L85 HydrophobicContact CZ3-CD1 3.91Å; W75-L85 HydrophobicContact CZ3-CG 3.8Å; L85-F87 HydrophobicContact CB-CD2 4.4Å; L85-F87 HydrophobicContact CB-CE2 3.72Å; L85-F87 HydrophobicContact CB-CZ 4.3Å; L85-F87 HydrophobicContact CD1-CZ 4.5Å; L85-F87 WeakPolarHBondContact O-CD2 3.21Å
86S96.7Very high90.3Very high39 Ų3954.5 Ų54.527%0.27330%0.298SS..EExtended strand (participates in β ladder)trans-98.3115.2173.81780000109.7V12 K13V12-S86 CarbonylContact C-O 3.6Å; V12-S86 WeakPolarHBondContact CA-O 3.33Å; K13-S86 PolarHBondContact N-O 3.03Å; K13-S86 PolarHBondContact O-N 3.43Å
87F96.6Very high90.5Very high7 Ų751.9 Ų51.93%0.03128%0.279CS..EExtended strand (participates in β ladder)trans-89.4140.1-176.6-66.7-105.9000111V12 V31 T71 I73 L85 E89 G92 C93 V96V12-F87 HydrophobicContact CG1-CB 4.41Å; V12-F87 HydrophobicContact CG1-CD1 3.44Å; V12-F87 VanDerWaalsContact CG1-CD1 3.44Å; V12-F87 HydrophobicContact CG1-CD2 4.19Å; V12-F87 HydrophobicContact CG1-CE1 3.63Å; V12-F87 HydrophobicContact CG1-CE2 4.32Å; V12-F87 HydrophobicContact CG1-CG 3.75Å; V12-F87 HydrophobicContact CG1-CZ 4.06Å; V31-F87 HydrophobicContact CG1-CD1 4.45Å; V31-F87 HydrophobicContact CG1-CE1 3.67Å; V31-F87 HydrophobicContact CG1-CZ 4.28Å; T71-F87 WeakPolarHBondContact O-CD2 3.29Å; T71-F87 PolarHBondContact O-N 2.85Å; I73-F87 HydrophobicContact CB-CE2 4.37Å; I73-F87 HydrophobicContact CD1-CE2 3.74Å; I73-F87 HydrophobicContact CD1-CZ 3.96Å; I73-F87 HydrophobicContact CG1-CE2 4.02Å; L85-F87 HydrophobicContact CB-CD2 4.4Å; L85-F87 HydrophobicContact CB-CE2 3.72Å; L85-F87 HydrophobicContact CB-CZ 4.3Å; L85-F87 HydrophobicContact CD1-CZ 4.5Å; L85-F87 WeakPolarHBondContact O-CD2 3.21Å; F87-E89 VanDerWaalsContact C-N 3.29Å; F87-E89 PolarHBondContact O-N 2.87Å; F87-G92 VanDerWaalsContact CD1-C 3.42Å; F87-G92 WeakPolarHBondContact CE1-O 3.31Å; F87-C93 HydrophobicContact CB-CB 4Å; F87-C93 HydrophobicContact CD1-CB 4.11Å; F87-C93 VanDerWaalsContact CD1-N 3.28Å; F87-C93 HydrophobicContact CD2-CB 3.8Å; F87-C93 HydrophobicContact CE2-CB 4.3Å; F87-C93 HydrophobicContact CG-CB 3.71Å; F87-V96 HydrophobicContact CE1-CB 4.09Å; F87-V96 HydrophobicContact CE1-CG2 3.75Å; F87-V96 HydrophobicContact CZ-CB 3.87Å; F87-V96 HydrophobicContact CZ-CG1 4.13Å; F87-V96 HydrophobicContact CZ-CG2 3.95Å
88Q93Very high90.8Very high120 Ų12055.5 Ų55.556%0.56130%0.296SS*.SBendtrans-68.1-31.5173.9-172.9174.420.300112.3R11R11-Q88 HydrophobicContact CB-CB 4.38Å; R11-Q88 PolarHBondContact O-N 3.2Å
89E91.7Very high91.4Very high68 Ų6856.4 Ų56.432%0.31828%0.283SS..SBendtrans-130.6136.4-177.9-67179-168.200110.9T8 F87 V91 G92 C93T8-E89 WeakPolarHBondContact CB-OE1 3.42Å; T8-E89 PolarHBondContact OG1-OE1 2.94Å; F87-E89 VanDerWaalsContact C-N 3.29Å; F87-E89 PolarHBondContact O-N 2.87Å; E89-V91 PolarHBondContact O-N 3.17Å; E89-G92 PolarHBondContact O-N 3.44Å; E89-C93 PolarHBondContact O-N 2.7Å
90K92.4Very high92.6Very high82 Ų8247.4 Ų47.436%0.35724%0.241SC..Hα-helixtrans-51.4-42.1175177.9-178.6-174.1165.70112.7E70 T71 G92 C93 D94E70-K90 HydrophobicContact CB-CD 4.17Å; E70-K90 HydrophobicContact CB-CG 4.19Å; E70-K90 IonicContact OE1-NZ 3.55Å; E70-K90 PolarHBondContact OE1-NZ 2.65Å; E70-K90 VanDerWaalsContact OE2-CD 3.29Å; E70-K90 WeakPolarHBondContact OE2-CD 3.3Å; E70-K90 VanDerWaalsContact OE2-CE 3.3Å; E70-K90 WeakPolarHBondContact OE2-CE 3.38Å; E70-K90 IonicContact OE2-NZ 2.87Å; E70-K90 PolarHBondContact OE2-NZ 2.71Å; T71-K90 HydrophobicContact CG2-CB 4.26Å; K90-G92 PolarHBondContact O-N 2.95Å; K90-C93 WeakPolarHBondContact O-CA 3.33Å; K90-C93 VanDerWaalsContact O-CB 3.3Å; K90-C93 WeakPolarHBondContact O-CB 3.33Å; K90-C93 PolarHBondContact O-N 2.62Å; K90-D94 PolarHBondContact O-N 3.08Å
91V91.6Very high93.6Very high71 Ų7140.5 Ų40.543%0.4320%0.204SC..Hα-helixtrans-63.6-25.6-177.8-1580000112.4R9 E89 D95R9-V91 HydrophobicContact CG-CB 4.45Å; R9-V91 VanDerWaalsContact CZ-CG1 3.49Å; R9-V91 VanDerWaalsContact NE-CG1 3.32Å; R9-V91 PolarHBondContact NE-O 3.08Å; R9-V91 VanDerWaalsContact NH2-CG1 3.25Å; E89-V91 PolarHBondContact O-N 3.17Å; V91-D95 PolarHBondContact O-N 3.38Å
92G91.7Very high93.8Very high3 Ų340.2 Ų40.23%0.03122%0.215CC..Hα-helixtrans-75-41.6172.100000113.2R9 F87 E89 K90 V96R9-G92 WeakPolarHBondContact O-CA 3.4Å; F87-G92 VanDerWaalsContact CD1-C 3.42Å; F87-G92 WeakPolarHBondContact CE1-O 3.31Å; E89-G92 PolarHBondContact O-N 3.44Å; K90-G92 PolarHBondContact O-N 2.95Å; G92-V96 PolarHBondContact O-N 3.5Å
93C95Very high93.7Very high0 Ų040.2 Ų40.20%022%0.217CC..Hα-helixtrans-60.8-48.1175.5-174.20000110.4E70 F87 E89 K90 D95 V96 W97E70-C93 WeakPolarHBondContact O-CB 3.4Å; E70-C93 PolarHBondContact O-SG 3.07Å; E70-C93 VanDerWaalsContact O-SG 3.37Å; F87-C93 HydrophobicContact CB-CB 4Å; F87-C93 HydrophobicContact CD1-CB 4.11Å; F87-C93 VanDerWaalsContact CD1-N 3.28Å; F87-C93 HydrophobicContact CD2-CB 3.8Å; F87-C93 HydrophobicContact CE2-CB 4.3Å; F87-C93 HydrophobicContact CG-CB 3.71Å; E89-C93 PolarHBondContact O-N 2.7Å; K90-C93 WeakPolarHBondContact O-CA 3.33Å; K90-C93 VanDerWaalsContact O-CB 3.3Å; K90-C93 WeakPolarHBondContact O-CB 3.33Å; K90-C93 PolarHBondContact O-N 2.62Å; C93-D95 PolarHBondContact O-N 3.02Å; C93-V96 PolarHBondContact O-N 2.62Å; C93-W97 WeakPolarHBondContact O-CB 3.45Å; C93-W97 PolarHBondContact O-N 2.97Å
94D94.1Very high93.5Very high54 Ų5441 Ų4129%0.28922%0.22SC..Hα-helixtrans-58.8-44.5179.3-67.6-19.7000112.4K67 K90 V96 W97 E98K67-D94 IonicContact NZ-OD1 3.56Å; K67-D94 PolarHBondContact NZ-OD1 3.11Å; K90-D94 PolarHBondContact O-N 3.08Å; D94-V96 VanDerWaalsContact C-N 3.34Å; D94-V96 PolarHBondContact O-N 3.41Å; D94-W97 PolarHBondContact O-N 3.2Å; D94-E98 WeakPolarHBondContact O-CB 3.31Å; D94-E98 PolarHBondContact O-N 3.49Å
95D93.4Very high93Very high52 Ų5244.2 Ų44.228%0.27825%0.253SS..Hα-helixtrans-62-37.7178.3-81.61.2000113.2R9 V91 C93 K99R9-D95 IonicContact CZ-OD1 2.9Å; R9-D95 IonicContact CZ-OD2 2.72Å; R9-D95 IonicContact NE-OD2 3.88Å; R9-D95 PolarHBondContact NE-OD2 2.9Å; R9-D95 VanDerWaalsContact NE-OD2 3.11Å; R9-D95 IonicContact NH1-OD2 3.59Å; R9-D95 IonicContact NH2-OD1 2.84Å; R9-D95 PolarHBondContact NH2-OD1 3.04Å; R9-D95 IonicContact NH2-OD2 3.69Å; R9-D95 PolarHBondContact NH2-OD2 3.37Å; V91-D95 PolarHBondContact O-N 3.38Å; C93-D95 PolarHBondContact O-N 3.02Å; D95-K99 WeakPolarHBondContact O-CG 3.44Å
96V94.4Very high92.6Very high10 Ų1047.8 Ų47.86%0.06127%0.269CS..Hα-helixtrans-76.9-41.2178.6174.20000110.2V31 L43 I73 F87 G92 C93 D94 E98 K99 I100V31-V96 HydrophobicContact CG1-CG2 3.94Å; V31-V96 HydrophobicContact CG2-CG2 4.42Å; L43-V96 HydrophobicContact CD2-CG1 3.62Å; I73-V96 HydrophobicContact CD1-CB 4.38Å; I73-V96 HydrophobicContact CD1-CG1 4.15Å; F87-V96 HydrophobicContact CE1-CB 4.09Å; F87-V96 HydrophobicContact CE1-CG2 3.75Å; F87-V96 HydrophobicContact CZ-CB 3.87Å; F87-V96 HydrophobicContact CZ-CG1 4.13Å; F87-V96 HydrophobicContact CZ-CG2 3.95Å; G92-V96 PolarHBondContact O-N 3.5Å; C93-V96 PolarHBondContact O-N 2.62Å; D94-V96 VanDerWaalsContact C-N 3.34Å; D94-V96 PolarHBondContact O-N 3.41Å; V96-E98 PolarHBondContact O-N 3.46Å; V96-K99 PolarHBondContact O-N 3.45Å; V96-I100 HydrophobicContact CG1-CD1 4.02Å; V96-I100 HydrophobicContact CG1-CG1 4.49Å; V96-I100 WeakPolarHBondContact O-CG1 3.32Å; V96-I100 PolarHBondContact O-N 3.17Å
97W95.5Very high92Very high3 Ų350.8 Ų50.81%0.01128%0.282CS..Hα-helixtrans-59.3-45.9176.2-169.6-111.3000112Y65 K67 I73 C93 D94 K99 I100 C101 P108 V110 E111 T113Y65-W97 WeakPolarHBondContact O-CH2 3.02Å; K67-W97 HydrophobicContact CB-CD2 3.93Å; K67-W97 HydrophobicContact CB-CE3 3.89Å; K67-W97 HydrophobicContact CB-CH2 3.72Å; K67-W97 HydrophobicContact CB-CZ2 3.76Å; K67-W97 HydrophobicContact CB-CZ3 3.78Å; K67-W97 HydrophobicContact CD-CD2 3.99Å; K67-W97 HydrophobicContact CD-CG 3.94Å; K67-W97 HydrophobicContact CG-CD2 4.41Å; K67-W97 VanDerWaalsContact N-CH2 3.35Å; I73-W97 HydrophobicContact CD1-CB 4.28Å; I73-W97 HydrophobicContact CD1-CE3 3.88Å; I73-W97 HydrophobicContact CG1-CE3 3.93Å; I73-W97 HydrophobicContact CG1-CZ3 4.39Å; I73-W97 HydrophobicContact CG2-CE3 4.18Å; I73-W97 HydrophobicContact CG2-CZ3 4Å; C93-W97 WeakPolarHBondContact O-CB 3.45Å; C93-W97 PolarHBondContact O-N 2.97Å; D94-W97 PolarHBondContact O-N 3.2Å; W97-K99 PolarHBondContact O-N 3.03Å; W97-I100 HydrophobicContact CE3-CD1 4.4Å; W97-I100 PolarHBondContact O-N 3.23Å; W97-I100 VanDerWaalsContact O-N 3.13Å; W97-C101 WeakPolarHBondContact O-CB 3.48Å; W97-C101 PolarHBondContact O-N 3.31Å; W97-C101 PolarHBondContact O-SG 2.9Å; W97-P108 VanDerWaalsContact CD1-O 3.31Å; W97-P108 PolarHBondContact NE1-O 2.92Å; W97-P108 VanDerWaalsContact NE1-O 3.17Å; W97-V110 HydrophobicContact CZ2-CG2 4.34Å; W97-V110 WeakPolarHBondContact CZ2-O 3.33Å; W97-V110 PolarHBondContact NE1-O 2.78Å; W97-V110 VanDerWaalsContact NE1-O 3.08Å; W97-E111 WeakPolarHBondContact CH2-O 3.32Å; W97-T113 HydrophobicContact CH2-CG2 3.83Å; W97-T113 HydrophobicContact CZ2-CG2 3.96Å
98E93.9Very high91.6Very high115 Ų11553.3 Ų53.354%0.53730%0.299SS..Hα-helixtrans-57.9-38177.3-171.4179.5-163.500111.6D94 V96 A102 P108D94-E98 WeakPolarHBondContact O-CB 3.31Å; D94-E98 PolarHBondContact O-N 3.49Å; V96-E98 PolarHBondContact O-N 3.46Å; E98-A102 WeakPolarHBondContact O-CB 3.37Å; E98-A102 PolarHBondContact O-N 3.43Å; E98-P108 HydrophobicContact CG-CG 4Å
99K92.6Very high91.3Very high81 Ų8152.1 Ų52.135%0.35230%0.304SS..Hα-helixtrans-70.9-40.6176.3-70.4178.5-177.8-178.60113.1A33 M41 D95 V96 W97 A102 V103A33-K99 HydrophobicContact CB-CB 4.4Å; A33-K99 HydrophobicContact CB-CD 3.44Å; A33-K99 VanDerWaalsContact CB-CD 3.44Å; M41-K99 HydrophobicContact SD-CB 4.02Å; M41-K99 HydrophobicContact SD-CD 4.44Å; D95-K99 WeakPolarHBondContact O-CG 3.44Å; V96-K99 PolarHBondContact O-N 3.45Å; W97-K99 PolarHBondContact O-N 3.03Å; K99-A102 PolarHBondContact O-N 3.13Å; K99-V103 VanDerWaalsContact O-CG2 3.31Å; K99-V103 WeakPolarHBondContact O-CG2 3.4Å; K99-V103 PolarHBondContact O-N 3.27Å
100I93.7Very high91.1Very high0 Ų051.1 Ų51.10%030%0.302CS..Hα-helixtrans-60.1-50.5174.6-66.9166.6000109.4L43 I59 Y65 I73 V96 W97 A102 V103 Q104 T113L43-I100 HydrophobicContact CD1-CD1 4.09Å; L43-I100 HydrophobicContact CD1-CG1 4.44Å; I59-I100 HydrophobicContact CD1-CG1 3.96Å; I59-I100 HydrophobicContact CG2-CG2 4.27Å; Y65-I100 HydrophobicContact CD1-CD1 4Å; Y65-I100 HydrophobicContact CD1-CG2 4.2Å; Y65-I100 HydrophobicContact CD2-CG2 3.58Å; Y65-I100 HydrophobicContact CE1-CD1 4.41Å; Y65-I100 HydrophobicContact CE2-CG2 4.15Å; Y65-I100 HydrophobicContact CG-CD1 4.42Å; Y65-I100 HydrophobicContact CG-CG2 3.64Å; I73-I100 HydrophobicContact CD1-CD1 4.29Å; I73-I100 HydrophobicContact CG2-CD1 4.18Å; V96-I100 HydrophobicContact CG1-CD1 4.02Å; V96-I100 HydrophobicContact CG1-CG1 4.49Å; V96-I100 WeakPolarHBondContact O-CG1 3.32Å; V96-I100 PolarHBondContact O-N 3.17Å; W97-I100 HydrophobicContact CE3-CD1 4.4Å; W97-I100 PolarHBondContact O-N 3.23Å; W97-I100 VanDerWaalsContact O-N 3.13Å; I100-A102 VanDerWaalsContact C-N 3.34Å; I100-A102 PolarHBondContact O-N 3.11Å; I100-V103 PolarHBondContact O-N 2.65Å; I100-Q104 PolarHBondContact O-N 3.03Å; I100-Q104 VanDerWaalsContact O-N 3.08Å; I100-T113 HydrophobicContact CG2-CG2 4.35Å
101C92.8Very high90.9Very high0 Ų054.2 Ų54.20%032%0.318CS..Hα-helixtrans-60.7-41.1177.6-70.40000112.2W97 V103 Q104 G105 K106 P108W97-C101 WeakPolarHBondContact O-CB 3.48Å; W97-C101 PolarHBondContact O-N 3.31Å; W97-C101 PolarHBondContact O-SG 2.9Å; C101-V103 VanDerWaalsContact C-N 3.34Å; C101-V103 PolarHBondContact O-N 3.06Å; C101-Q104 CarbonylContact O-C 3.54Å; C101-Q104 PolarHBondContact O-N 2.9Å; C101-G105 PolarHBondContact O-N 3.37Å; C101-K106 HydrophobicContact CB-CB 4.35Å; C101-K106 WeakPolarHBondContact CB-O 3.41Å; C101-K106 PolarHBondContact O-N 2.84Å; C101-P108 HydrophobicContact CB-CG 4.38Å
102A90.6Very high90.8Very high77 Ų7754 Ų5464%0.63631%0.314SS*.Hα-helixtrans-62.8-37.6176.700000113E98 K99 I100E98-A102 WeakPolarHBondContact O-CB 3.37Å; E98-A102 PolarHBondContact O-N 3.43Å; K99-A102 PolarHBondContact O-N 3.13Å; I100-A102 VanDerWaalsContact C-N 3.34Å; I100-A102 PolarHBondContact O-N 3.11Å
103V89.5Confident90.7Very high55 Ų5553.9 Ų53.933%0.33331%0.313SS..Hα-helixtrans-68.6-36.8175.6172.60000111.4M41 I59 K99 I100 C101M41-V103 HydrophobicContact CB-CG2 3.86Å; M41-V103 HydrophobicContact CG-CG2 4.25Å; M41-V103 HydrophobicContact SD-CG2 3.68Å; I59-V103 HydrophobicContact CB-CG1 4.14Å; I59-V103 HydrophobicContact CD1-CG2 4.41Å; I59-V103 HydrophobicContact CG2-CB 3.95Å; I59-V103 HydrophobicContact CG2-CG1 3.76Å; I59-V103 HydrophobicContact CG2-CG2 4.49Å; K99-V103 VanDerWaalsContact O-CG2 3.31Å; K99-V103 WeakPolarHBondContact O-CG2 3.4Å; K99-V103 PolarHBondContact O-N 3.27Å; I100-V103 PolarHBondContact O-N 2.65Å; C101-V103 VanDerWaalsContact C-N 3.34Å; C101-V103 PolarHBondContact O-N 3.06Å
104Q91.3Very high90Very high21 Ų2156.3 Ų56.310%0.09832%0.324CS..Hα-helixtrans-90.3-1.4-179.1-64.1-170.8-28.700114.5Q60 T63 I100 C101 K106 T113Q60-Q104 PolarHBondContact O-NE2 2.98Å; T63-Q104 PolarHBondContact O-NE2 3.16Å; I100-Q104 PolarHBondContact O-N 3.03Å; I100-Q104 VanDerWaalsContact O-N 3.08Å; C101-Q104 CarbonylContact O-C 3.54Å; C101-Q104 PolarHBondContact O-N 2.9Å; Q104-K106 VanDerWaalsContact C-N 3.3Å; Q104-K106 HydrophobicContact CB-CG 4.12Å; Q104-K106 PolarHBondContact O-N 2.83Å; Q104-T113 PolarHBondContact OE1-OG1 3.45Å
105G86.5Confident88.4Confident70 Ų7061.3 Ų61.372%0.72235%0.345SS*.THydrogen-bonded Turntrans67.427.9-178.200000114C101C101-G105 PolarHBondContact O-N 3.37Å
106K87.7Confident86.6Confident76 Ų7663.9 Ų63.933%0.3336%0.363SS..  trans-101.9155.7179-58.1-69.3171.81310110.5C101 Q104 V110 T113C101-K106 HydrophobicContact CB-CB 4.35Å; C101-K106 WeakPolarHBondContact CB-O 3.41Å; C101-K106 PolarHBondContact O-N 2.84Å; Q104-K106 VanDerWaalsContact C-N 3.3Å; Q104-K106 HydrophobicContact CB-CG 4.12Å; Q104-K106 PolarHBondContact O-N 2.83Å; K106-V110 HydrophobicContact CB-CG2 4.38Å; K106-T113 WeakPolarHBondContact CD-O 3.39Å; K106-T113 WeakPolarHBondContact CE-O 3.19Å; K106-T113 PolarHBondContact NZ-O 2.85Å
107D85.2Confident84.3Confident101 Ų10168.9 Ų68.954%0.5439%0.393SS..  trans-74.7132.2172.9-170.6-51.2000109.2S109 V110D107-S109 PolarHBondContact O-N 3.41Å; D107-S109 VanDerWaalsContact OD1-CB 3.32Å; D107-S109 WeakPolarHBondContact OD1-CB 3.24Å; D107-S109 PolarHBondContact OD1-N 2.86Å; D107-S109 PolarHBondContact OD1-OG 2.87Å; D107-V110 WeakPolarHBondContact O-CG2 3.35Å; D107-V110 PolarHBondContact O-N 3.19Å; D107-V110 VanDerWaalsContact O-N 3.15Å
108P88.1Confident81.6Confident60 Ų6075.4 Ų75.439%0.3943%0.428SS..THydrogen-bonded Turntrans-56.4-13.1176.8-24.133.6000115.5W97 E98 C101 V110W97-P108 VanDerWaalsContact CD1-O 3.31Å; W97-P108 PolarHBondContact NE1-O 2.92Å; W97-P108 VanDerWaalsContact NE1-O 3.17Å; E98-P108 HydrophobicContact CG-CG 4Å; C101-P108 HydrophobicContact CB-CG 4.38Å; P108-V110 VanDerWaalsContact C-N 3.32Å
109S86.4Confident78.8Confident95 Ų9579.2 Ų79.266%0.66445%0.446SS*.THydrogen-bonded Turntrans-74.6-11.8175.657.80000115.1D107D107-S109 PolarHBondContact O-N 3.41Å; D107-S109 VanDerWaalsContact OD1-CB 3.32Å; D107-S109 WeakPolarHBondContact OD1-CB 3.24Å; D107-S109 PolarHBondContact OD1-N 2.86Å; D107-S109 PolarHBondContact OD1-OG 2.87Å
110V88Confident76.3Confident48 Ų4879.4 Ų79.429%0.29146%0.458SS..  trans-73.7148175.8-54.90000111.3W97 K106 D107 P108 I112 T113W97-V110 HydrophobicContact CZ2-CG2 4.34Å; W97-V110 WeakPolarHBondContact CZ2-O 3.33Å; W97-V110 PolarHBondContact NE1-O 2.78Å; W97-V110 VanDerWaalsContact NE1-O 3.08Å; K106-V110 HydrophobicContact CB-CG2 4.38Å; D107-V110 WeakPolarHBondContact O-CG2 3.35Å; D107-V110 PolarHBondContact O-N 3.19Å; D107-V110 VanDerWaalsContact O-N 3.15Å; P108-V110 VanDerWaalsContact C-N 3.32Å; V110-I112 WeakPolarHBondContact CG2-O 3.38Å; V110-T113 HydrophobicContact CG2-CG2 4.32Å
111E88Confident73.6Confident146 Ų14686.9 Ų86.968%0.68250%0.498SS*.SBendtrans-90.2-25.5171.5-67.2-173.817100112.6Q66 K67 W97Q66-E111 CarbonylContact C-O 3.42Å; Q66-E111 VanDerWaalsContact CA-O 3.31Å; Q66-E111 WeakPolarHBondContact CA-O 3.45Å; K67-E111 PolarHBondContact N-O 2.94Å; W97-E111 WeakPolarHBondContact CH2-O 3.32Å
112I89.7Confident71.1Confident67 Ų6795 Ų9534%0.34454%0.541SS..BIsolated β-bridgetrans-130.6134.9174.2-164.9173.1000109.8Y65 Q66 V110 Q114 V116Y65-I112 WeakPolarHBondContact O-CA 3.4Å; Q66-I112 HydrophobicContact CB-CG1 4.41Å; Q66-I112 HydrophobicContact CG-CB 4.43Å; V110-I112 WeakPolarHBondContact CG2-O 3.38Å; I112-Q114 WeakPolarHBondContact CD1-O 3.39Å; I112-Q114 WeakPolarHBondContact CG1-O 3.47Å; I112-V116 HydrophobicContact CD1-CG2 3.92Å
113T87.7Confident68.8Low1 Ų197.5 Ų97.51%0.00655%0.548CS..SBendtrans-86.9-24.7-172.262.80000114.3Y65 W97 I100 Q104 K106 V110Y65-T113 PolarHBondContact N-OG1 3.5Å; Y65-T113 PolarHBondContact O-N 2.99Å; Y65-T113 PolarHBondContact O-OG1 3.37Å; W97-T113 HydrophobicContact CH2-CG2 3.83Å; W97-T113 HydrophobicContact CZ2-CG2 3.96Å; I100-T113 HydrophobicContact CG2-CG2 4.35Å; Q104-T113 PolarHBondContact OE1-OG1 3.45Å; K106-T113 WeakPolarHBondContact CD-O 3.39Å; K106-T113 WeakPolarHBondContact CE-O 3.19Å; K106-T113 PolarHBondContact NZ-O 2.85Å; V110-T113 HydrophobicContact CG2-CG2 4.32Å
114Q81.1Confident66.5Low50 Ų50101.8 Ų101.823%0.23457%0.569CS.*SBendtrans-131.8144.8175.6-59.8-64.38.500110.7P61 A64 I112 V116P61-Q114 PolarHBondContact O-NE2 3.06Å; A64-Q114 HydrophobicContact CB-CB 3.97Å; I112-Q114 WeakPolarHBondContact CD1-O 3.39Å; I112-Q114 WeakPolarHBondContact CG1-O 3.47Å; Q114-V116 PolarHBondContact O-N 3.07Å
115E61Low64.1Low159 Ų159108.8 Ų108.874%0.74361%0.607SS**  trans-70.8122.5171.1-77.8179.9165.700108.6V117E115-V117 PolarHBondContact O-N 2.77Å
116V55.6Low62Low106 Ų106110.7 Ų110.764%0.64261%0.605SS**  trans-71.7108.3170.1-170.50000106.1A64 I112 Q114 D118A64-V116 HydrophobicContact CB-CG2 4.44Å; I112-V116 HydrophobicContact CD1-CG2 3.92Å; Q114-V116 PolarHBondContact O-N 3.07Å; V116-D118 PolarHBondContact O-N 3.05Å
117V45.9Very low59.7Low116 Ų116114.7 Ų114.770%0.70363%0.63SS**  trans-77.7113.1170.9-178.10000106.1E115 E119E115-V117 PolarHBondContact O-N 2.77Å; V117-E119 PolarHBondContact O-N 2.97Å
118D38.8Very low57.3Low140 Ų140113.1 Ų113.175%0.74964%0.638SS**  trans-61.5103.2169.7-88.1-34.6000108.6V116 S120V116-D118 PolarHBondContact O-N 3.05Å; D118-S120 PolarHBondContact O-N 2.92Å
119E34.5Very low54.9Low194 Ų194121.5 Ų121.591%0.90766%0.663SS**  trans-76.370.5168-68.3-171.4166.100109.3V117V117-E119 PolarHBondContact O-N 2.97Å
120S40.2Very low52.5Low86 Ų86122.7 Ų122.760%0.60167%0.667SS**  trans-151.261.5168.669.80000111.8D118D118-S120 PolarHBondContact O-N 2.92Å
121D37.2Very low50Low157 Ų157126.6 Ų126.684%0.8469%0.693SS**  trans-156.574159.1-88.4-32.1000109.7V123D121-V123 PolarHBondContact O-N 2.85Å
122D39.8Very low47.6Very low169 Ų169124.6 Ų124.690%0.90469%0.691SS**  trans-79.195.7162.5-86.4-37.6000109.1
123V43.3Very low45.3Very low131 Ų131130.2 Ų130.279%0.79472%0.718SS**  trans-153.195.7153.9-96.80000110.5D121D121-V123 PolarHBondContact O-N 2.85Å
124D41.1Very low42.9Very low145 Ų145138.7 Ų138.778%0.77576%0.76SS**  trans32.493.7133.4-142.515.2000117
125D40.2Very low40.9Very low167 Ų167142.9 Ų142.989%0.89378%0.779SS**  trans-154.8131136.3-102.1-31000111.9
126T42.1Very low40Very low110 Ų110139.6 Ų139.668%0.67577%0.774SS**  trans-91.4124.1-167.2-490000109.3
127D40.3Very low39.7Very low160 Ų160141.8 Ų141.886%0.85678%0.78SS**  trans156.8131.1139.7-82.3-25.8000112.3
128G35.3Very low40Very low68 Ų68143.3 Ų143.370%0.70178%0.78SS**  trans117.471.7154.800000117.6T130G128-T130 PolarHBondContact O-N 3.02Å; G128-T130 VanDerWaalsContact O-N 3.12Å
129Y36Very low40.9Very low237 Ų237142 Ų14293%0.92978%0.779SS**  trans-53.5110.1157.2-84.5-101.6000111.3
130T37.7Very low42.4Very low120 Ų120134.7 Ų134.774%0.73675%0.746SS**  trans-147137150.144.60000111.2G128 T132G128-T130 PolarHBondContact O-N 3.02Å; G128-T130 VanDerWaalsContact O-N 3.12Å; T130-T132 PolarHBondContact O-N 2.84Å
131P34.7Very low43.7Very low129 Ų129135.2 Ų135.284%0.83875%0.749SS**  trans-85.7111.5-168.332.3-31.9000112.4M133P131-M133 PolarHBondContact O-N 2.84Å
132T38.2Very low45.7Very low104 Ų104128.4 Ų128.464%0.63871%0.713SS**  trans-88.69.6-173-33.60000115.1T130 M134T130-T132 PolarHBondContact O-N 2.84Å; T132-M134 PolarHBondContact O-N 2.84Å
133M39.7Very low47.7Very low185 Ų185120.8 Ų120.891%0.91167%0.673SS**THydrogen-bonded Turntrans-73.317.6-177.7-91.4-104.7144.800115.9P131P131-M133 PolarHBondContact O-N 2.84Å
134M37.9Very low49.5Very low179 Ų179117.7 Ų117.788%0.88266%0.655SS**THydrogen-bonded Turntrans-129.48.1-178.5-72.7-170.673.100116.6T132T132-M134 PolarHBondContact O-N 2.84Å
135Q38.8Very low51.5Low139 Ų139111.7 Ų111.765%0.6562%0.624SS**  trans-94.310.1-178.5-74.5-176.9-0.600115.5I137Q135-I137 PolarHBondContact O-N 2.81Å
136S41.9Very low53.6Low89 Ų89108.5 Ų108.562%0.62260%0.604SS**THydrogen-bonded Turntrans-72.51.5-170.853.70000116.7
137I49.8Very low55.5Low153 Ų153105.9 Ų105.979%0.78559%0.586SS**THydrogen-bonded Turntrans-121.9-2.7-172.5-55175.7000114.2Q135Q135-I137 PolarHBondContact O-N 2.81Å
138Q52.5Low57.6Low147 Ų147103.2 Ų103.269%0.68758%0.579SS**  trans-78.1128.2179.1-80.7-174-1700112.4L140Q138-L140 PolarHBondContact O-N 2.85Å
139P57.6Low60.1Low114 Ų114103.8 Ų103.874%0.7456%0.56SS**  trans-63134.317224.8-30.4000109.6S141P139-S141 PolarHBondContact O-N 3.32Å
140L65.5Low62.7Low40 Ų4092.5 Ų92.521%0.20952%0.516CS..  trans-66.2115.4172-167.584000107.4Q138 A160 R169 L170Q138-L140 PolarHBondContact O-N 2.85Å; L140-A160 HydrophobicContact CD2-CB 4.24Å; L140-R169 HydrophobicContact CB-CB 4.13Å; L140-L170 HydrophobicContact CD2-CB 3.87Å; L140-L170 HydrophobicContact CD2-CD1 4.24Å
141S67.9Low65.2Low96 Ų9692.5 Ų92.567%0.67151%0.508SS*.  trans-109.5112172.569.10000109.3P139P139-S141 PolarHBondContact O-N 3.32Å
142L79.5Confident67.8Low15 Ų1590.7 Ų90.78%0.07949%0.488CS..PPolyproline II helixtrans-69.6146.8168.2-70.8174.8000110.2L156 V157 L170 F173 L174 Y179L142-L156 HydrophobicContact CD2-CB 3.89Å; L142-L156 HydrophobicContact CD2-CD1 4.45Å; L142-V157 HydrophobicContact CD2-CG2 4.23Å; L142-L170 HydrophobicContact CD1-CD1 3.7Å; L142-L170 HydrophobicContact CD2-CD1 4.5Å; L142-L170 HydrophobicContact CG-CD1 4.33Å; L142-F173 HydrophobicContact CB-CE1 3.91Å; L142-F173 HydrophobicContact CB-CZ 4.25Å; L142-F173 HydrophobicContact CD1-CD1 3.96Å; L142-F173 HydrophobicContact CD1-CE1 3.84Å; L142-F173 HydrophobicContact CG-CD1 4.34Å; L142-F173 HydrophobicContact CG-CE1 4.12Å; L142-L174 HydrophobicContact CD1-CD2 4.37Å; L142-Y179 HydrophobicContact CB-CE1 4.42Å; L142-Y179 HydrophobicContact CB-CE2 3.88Å; L142-Y179 HydrophobicContact CD1-CD1 4.07Å; L142-Y179 HydrophobicContact CD1-CE1 3.65Å; L142-Y179 HydrophobicContact CD1-CE2 4.4Å
143P81.9Confident70.3Confident8 Ų885.8 Ų85.85%0.05246%0.458CS..PPolyproline II helixtrans-49.7147.9167.5-27.333.9000111.7C145 R149 E152 V153 L156 Y179P143-C145 PolarHBondContact O-N 3.03Å; P143-R149 HydrophobicContact CB-CB 4.29Å; P143-E152 HydrophobicContact CG-CB 4.1Å; P143-V153 HydrophobicContact CB-CG2 3.88Å; P143-V153 HydrophobicContact CG-CG2 3.88Å; P143-L156 VanDerWaalsContact CD-CD1 3.41Å; P143-L156 HydrophobicContact CG-CD1 3.83Å; P143-Y179 WeakPolarHBondContact O-CE2 3.43Å; P143-Y179 PolarHBondContact O-OH 3.23Å
144P80.7Confident72.8Confident67 Ų6777.9 Ų77.944%0.43542%0.42SS..PPolyproline II helixtrans-51138.4163.6-21.733.7000110.7E146P144-E146 HydrophobicContact CB-CG 4.4Å; P144-E146 PolarHBondContact O-N 2.84Å
145C82.8Confident75.3Confident18 Ų1873.5 Ų73.512%0.12240%0.4CS..SBendtrans-66.791.9177.6-64.70000110.4P143 Y179 Q182 V186P143-C145 PolarHBondContact O-N 3.03Å; C145-Y179 VanDerWaalsContact SG-CE1 3.51Å; C145-Y179 WeakPolarHBondContact SG-CE2 3.24Å; C145-Q182 HydrophobicContact CB-CB 3.8Å; C145-V186 HydrophobicContact CB-CG2 3.89Å; C145-V186 VanDerWaalsContact O-CG2 3.27Å; C145-V186 WeakPolarHBondContact O-CG2 3.5Å
146E85.3Confident77.7Confident101 Ų10169.5 Ų69.547%0.47238%0.383SS..  trans-130.4143.2176.8-66.1177.7178.900109P144 S148 R149P144-E146 HydrophobicContact CB-CG 4.4Å; P144-E146 PolarHBondContact O-N 2.84Å; E146-S148 PolarHBondContact O-N 3.2Å; E146-S148 VanDerWaalsContact O-N 3.13Å; E146-R149 PolarHBondContact O-N 3.49Å
147L81.9Confident80Confident55 Ų5565.4 Ų65.429%0.28835%0.354SS..G310 helixtrans-50.7-41.1-178.9-71.2162.4000112.2R149 L150 V186 A190 L193 S198L147-R149 PolarHBondContact O-N 3.1Å; L147-L150 HydrophobicContact CD2-CD1 4.38Å; L147-V186 HydrophobicContact CD2-CG1 3.78Å; L147-V186 HydrophobicContact CG-CG1 4.16Å; L147-A190 HydrophobicContact CD2-CB 3.76Å; L147-L193 HydrophobicContact CD1-CD1 3.91Å; L147-S198 WeakPolarHBondContact CD2-OG 3.42Å
148S83.9Confident81.9Confident103 Ų10360 Ų6072%0.7233%0.33SS*.G310 helixtrans-71.5-9-178.253.50000115.3E146E146-S148 PolarHBondContact O-N 3.2Å; E146-S148 VanDerWaalsContact O-N 3.13Å
149R87.3Confident83.6Confident80 Ų8057.8 Ų57.830%0.30232%0.32SS..G310 helixtrans-119.26.5-174.7-57.7-170.670.3-177.6-6113P143 E146 L147 E151 E152 V153P143-R149 HydrophobicContact CB-CB 4.29Å; E146-R149 PolarHBondContact O-N 3.49Å; L147-R149 PolarHBondContact O-N 3.1Å; R149-E151 VanDerWaalsContact C-N 3.29Å; R149-E151 PolarHBondContact O-N 2.91Å; R149-E152 IonicContact CZ-OE2 3.79Å; R149-E152 VanDerWaalsContact CZ-OE2 3.31Å; R149-E152 IonicContact NE-OE2 3.37Å; R149-E152 PolarHBondContact NE-OE2 3.09Å; R149-E152 IonicContact NH2-OE2 3.14Å; R149-E152 PolarHBondContact NH2-OE2 3.36Å; R149-E152 WeakPolarHBondContact O-CB 3.42Å; R149-E152 PolarHBondContact O-N 3.15Å; R149-V153 WeakPolarHBondContact O-CG2 3.31Å; R149-V153 PolarHBondContact O-N 2.96Å; R149-V153 VanDerWaalsContact O-N 3.09Å
150L90.2Very high85Confident1 Ų152.4 Ų52.41%0.00529%0.285CS..Hα-helixtrans-62.6-35.1-177-72.6172.5000112.7L147 V153 V154 V186 H201 L202 I205L147-L150 HydrophobicContact CD2-CD1 4.38Å; L150-V153 WeakPolarHBondContact O-CB 3.33Å; L150-V153 PolarHBondContact O-N 3.21Å; L150-V153 VanDerWaalsContact O-N 3.15Å; L150-V154 WeakPolarHBondContact O-CG2 3.39Å; L150-V154 PolarHBondContact O-N 2.7Å; L150-V186 HydrophobicContact CD1-CG1 4.05Å; L150-V186 HydrophobicContact CD2-CG1 4.27Å; L150-H201 HydrophobicContact CB-CB 3.77Å; L150-L202 HydrophobicContact CD1-CD1 4.35Å; L150-L202 HydrophobicContact CD1-CD2 4.41Å; L150-L202 HydrophobicContact CD1-CG 4.02Å; L150-L202 HydrophobicContact CD2-CD2 3.81Å; L150-L202 HydrophobicContact CD2-CG 4.24Å; L150-I205 HydrophobicContact CD2-CD1 4.08Å
151E90.6Very high85.9Confident120 Ų12051.8 Ų51.856%0.56128%0.283SS*.Hα-helixtrans-59.3-47.4173.3-169.7179.5-17100111.4R149 V153 V154 D155R149-E151 VanDerWaalsContact C-N 3.29Å; R149-E151 PolarHBondContact O-N 2.91Å; E151-V153 PolarHBondContact O-N 3.45Å; E151-V154 PolarHBondContact O-N 2.87Å; E151-D155 PolarHBondContact O-N 3.48Å
152E90.1Very high86.8Confident91 Ų9151.4 Ų51.443%0.42529%0.285SS..Hα-helixtrans-60.1-35.8174.8-61.7179.4-177.800112P143 R149 L156P143-E152 HydrophobicContact CG-CB 4.1Å; R149-E152 IonicContact CZ-OE2 3.79Å; R149-E152 VanDerWaalsContact CZ-OE2 3.31Å; R149-E152 IonicContact NE-OE2 3.37Å; R149-E152 PolarHBondContact NE-OE2 3.09Å; R149-E152 IonicContact NH2-OE2 3.14Å; R149-E152 PolarHBondContact NH2-OE2 3.36Å; R149-E152 WeakPolarHBondContact O-CB 3.42Å; R149-E152 PolarHBondContact O-N 3.15Å; E152-L156 WeakPolarHBondContact O-CB 3.48Å; E152-L156 WeakPolarHBondContact O-CD1 3.4Å; E152-L156 VanDerWaalsContact O-CG 3.24Å; E152-L156 WeakPolarHBondContact O-CG 3.18Å; E152-L156 PolarHBondContact O-N 3.35Å
153V90.8Very high87Confident0 Ų052.3 Ų52.30%029%0.293CS..Hα-helixtrans-69.7-43177.6179.20000110.8P143 R149 L150 E151 D155 L156 V157 Y179 I205P143-V153 HydrophobicContact CB-CG2 3.88Å; P143-V153 HydrophobicContact CG-CG2 3.88Å; R149-V153 WeakPolarHBondContact O-CG2 3.31Å; R149-V153 PolarHBondContact O-N 2.96Å; R149-V153 VanDerWaalsContact O-N 3.09Å; L150-V153 WeakPolarHBondContact O-CB 3.33Å; L150-V153 PolarHBondContact O-N 3.21Å; L150-V153 VanDerWaalsContact O-N 3.15Å; E151-V153 PolarHBondContact O-N 3.45Å; V153-D155 VanDerWaalsContact C-N 3.33Å; V153-D155 PolarHBondContact O-N 2.81Å; V153-L156 PolarHBondContact O-N 2.83Å; V153-V157 HydrophobicContact CG1-CG2 4.08Å; V153-V157 WeakPolarHBondContact O-CB 3.49Å; V153-V157 VanDerWaalsContact O-CG2 3.24Å; V153-V157 WeakPolarHBondContact O-CG2 3.33Å; V153-V157 PolarHBondContact O-N 2.93Å; V153-Y179 HydrophobicContact CG1-CE1 4.42Å; V153-Y179 WeakPolarHBondContact CG2-OH 3.45Å; V153-I205 HydrophobicContact CB-CD1 3.95Å; V153-I205 HydrophobicContact CG1-CD1 3.59Å; V153-I205 HydrophobicContact CG1-CG1 4.12Å
154V91.6Very high87.2Confident19 Ų1955.4 Ų55.412%0.11531%0.313CS..Hα-helixtrans-56.4-48.7174.8169.30000110.5L150 E151 L156 V157 S158 H201 E204 I205L150-V154 WeakPolarHBondContact O-CG2 3.39Å; L150-V154 PolarHBondContact O-N 2.7Å; E151-V154 PolarHBondContact O-N 2.87Å; V154-L156 PolarHBondContact O-N 3Å; V154-V157 PolarHBondContact O-N 2.87Å; V154-S158 VanDerWaalsContact O-CB 3.27Å; V154-S158 WeakPolarHBondContact O-CB 3.35Å; V154-S158 PolarHBondContact O-N 3.21Å; V154-S158 PolarHBondContact O-OG 2.7Å; V154-H201 HydrophobicContact CG2-CB 3.82Å; V154-H201 WeakPolarHBondContact CG2-O 3.34Å; V154-E204 HydrophobicContact CG1-CB 4.43Å; V154-E204 HydrophobicContact CG1-CG 3.94Å; V154-E204 HydrophobicContact CG2-CB 4.43Å; V154-I205 HydrophobicContact CB-CG1 4.44Å; V154-I205 HydrophobicContact CG2-CD1 3.97Å; V154-I205 HydrophobicContact CG2-CG1 3.56Å
155D90.5Very high87.4Confident87 Ų8755.3 Ų55.347%0.46531%0.312SS..Hα-helixtrans-62.3-45.9-179.4-76.8-19.3000111.9E151 V153 S158 Q159E151-D155 PolarHBondContact O-N 3.48Å; V153-D155 VanDerWaalsContact C-N 3.33Å; V153-D155 PolarHBondContact O-N 2.81Å; D155-S158 PolarHBondContact O-N 2.99Å; D155-Q159 WeakPolarHBondContact O-CB 3.41Å; D155-Q159 WeakPolarHBondContact O-CG 3.49Å; D155-Q159 PolarHBondContact O-N 2.91Å
156L89.3Confident87.5Confident55 Ų5558.3 Ų58.329%0.28832%0.323SS..Hα-helixtrans-68.2-39.9-179.6-73.1171.1000112.5L142 P143 E152 V153 V154 A160L142-L156 HydrophobicContact CD2-CB 3.89Å; L142-L156 HydrophobicContact CD2-CD1 4.45Å; P143-L156 VanDerWaalsContact CD-CD1 3.41Å; P143-L156 HydrophobicContact CG-CD1 3.83Å; E152-L156 WeakPolarHBondContact O-CB 3.48Å; E152-L156 WeakPolarHBondContact O-CD1 3.4Å; E152-L156 VanDerWaalsContact O-CG 3.24Å; E152-L156 WeakPolarHBondContact O-CG 3.18Å; E152-L156 PolarHBondContact O-N 3.35Å; V153-L156 PolarHBondContact O-N 2.83Å; V154-L156 PolarHBondContact O-N 3Å; L156-A160 WeakPolarHBondContact O-CB 3.17Å; L156-A160 PolarHBondContact O-N 3.47Å
157V90.2Very high87.6Confident3 Ų357.8 Ų57.82%0.01832%0.317CS..Hα-helixtrans-64.7-46.8174.9170.70000109.6L142 V153 V154 Q159 A160 V161 L170 Q208 L209L142-V157 HydrophobicContact CD2-CG2 4.23Å; V153-V157 HydrophobicContact CG1-CG2 4.08Å; V153-V157 WeakPolarHBondContact O-CB 3.49Å; V153-V157 VanDerWaalsContact O-CG2 3.24Å; V153-V157 WeakPolarHBondContact O-CG2 3.33Å; V153-V157 PolarHBondContact O-N 2.93Å; V154-V157 PolarHBondContact O-N 2.87Å; V157-Q159 PolarHBondContact O-N 3.17Å; V157-A160 PolarHBondContact O-N 3.17Å; V157-A160 VanDerWaalsContact O-N 3.1Å; V157-V161 HydrophobicContact CG1-CG2 4.19Å; V157-V161 VanDerWaalsContact O-CG2 3.28Å; V157-V161 WeakPolarHBondContact O-CG2 3.32Å; V157-V161 PolarHBondContact O-N 3.41Å; V157-L170 HydrophobicContact CG1-CD2 4.3Å; V157-Q208 HydrophobicContact CG1-CB 3.89Å; V157-L209 HydrophobicContact CG1-CD2 4.25Å
158S89.7Confident87.9Confident39 Ų3959.7 Ų59.727%0.27332%0.324SS..Hα-helixtrans-60.1-45.2178.6-59.10000112V154 D155 A160 V161 A162V154-S158 VanDerWaalsContact O-CB 3.27Å; V154-S158 WeakPolarHBondContact O-CB 3.35Å; V154-S158 PolarHBondContact O-N 3.21Å; V154-S158 PolarHBondContact O-OG 2.7Å; D155-S158 PolarHBondContact O-N 2.99Å; S158-A160 VanDerWaalsContact C-N 3.32Å; S158-A160 PolarHBondContact O-N 2.88Å; S158-V161 PolarHBondContact O-N 3.21Å; S158-A162 WeakPolarHBondContact O-CB 3.31Å; S158-A162 PolarHBondContact O-N 2.81Å; S158-A162 VanDerWaalsContact O-N 3.09Å
159Q87.7Confident88Confident102 Ų10259.3 Ų59.348%0.47731%0.307SS..Hα-helixtrans-65.2-34.1174.9-72.3173.235.100113D155 V157D155-Q159 WeakPolarHBondContact O-CB 3.41Å; D155-Q159 WeakPolarHBondContact O-CG 3.49Å; D155-Q159 PolarHBondContact O-N 2.91Å; V157-Q159 PolarHBondContact O-N 3.17Å
160A87.1Confident88.1Confident0 Ų055.5 Ų55.50%029%0.293CS..Hα-helixtrans-73.1-41.5178.200000111.6L140 L156 V157 S158 A162 S163 K166 R167 L170L140-A160 HydrophobicContact CD2-CB 4.24Å; L156-A160 WeakPolarHBondContact O-CB 3.17Å; L156-A160 PolarHBondContact O-N 3.47Å; V157-A160 PolarHBondContact O-N 3.17Å; V157-A160 VanDerWaalsContact O-N 3.1Å; S158-A160 VanDerWaalsContact C-N 3.32Å; S158-A160 PolarHBondContact O-N 2.88Å; A160-A162 VanDerWaalsContact C-N 3.33Å; A160-A162 PolarHBondContact O-N 3.04Å; A160-S163 PolarHBondContact O-N 3.28Å; A160-K166 HydrophobicContact CB-CB 4.09Å; A160-R167 WeakPolarHBondContact O-CA 3.28Å; A160-R167 WeakPolarHBondContact O-CB 3.27Å; A160-R167 PolarHBondContact O-N 3.41Å; A160-L170 HydrophobicContact CB-CB 4.09Å; A160-L170 HydrophobicContact CB-CD2 3.92Å
161V86.2Confident88.1Confident28 Ų2855.7 Ų55.717%0.1729%0.294CS..Hα-helixtrans-63.9-38.5176.8173.90000111.3V157 S158 S163 L170 Q208 V212V157-V161 HydrophobicContact CG1-CG2 4.19Å; V157-V161 VanDerWaalsContact O-CG2 3.28Å; V157-V161 WeakPolarHBondContact O-CG2 3.32Å; V157-V161 PolarHBondContact O-N 3.41Å; S158-V161 PolarHBondContact O-N 3.21Å; V161-S163 VanDerWaalsContact C-N 3.27Å; V161-S163 PolarHBondContact O-N 3.22Å; V161-L170 HydrophobicContact CG2-CD2 4.31Å; V161-Q208 HydrophobicContact CG2-CB 4.46Å; V161-V212 HydrophobicContact CG2-CG2 3.79Å
162A84.9Confident88Confident87 Ų8752.4 Ų52.472%0.71929%0.287SS*.THydrogen-bonded Turntrans-68.8-18.6178.300000114.5S158 A160S158-A162 WeakPolarHBondContact O-CB 3.31Å; S158-A162 PolarHBondContact O-N 2.81Å; S158-A162 VanDerWaalsContact O-N 3.09Å; A160-A162 VanDerWaalsContact C-N 3.33Å; A160-A162 PolarHBondContact O-N 3.04Å
163S85.3Confident88Confident35 Ų3550.3 Ų50.325%0.24528%0.277CS..SBendtrans-117.9111.7-176.3177.10000111A160 V161 P165 K166 R167A160-S163 PolarHBondContact O-N 3.28Å; V161-S163 VanDerWaalsContact C-N 3.27Å; V161-S163 PolarHBondContact O-N 3.22Å; S163-P165 VanDerWaalsContact C-CD 3.49Å; S163-K166 PolarHBondContact O-N 3.42Å; S163-R167 PolarHBondContact O-N 2.86Å
164P84.6Confident88Confident72 Ų7250.5 Ų50.547%0.46828%0.278SS..Hα-helixtrans-47.8-46.9-177.6-27.133.2000115.8K166 R167 E168P164-K166 VanDerWaalsContact C-N 3.34Å; P164-K166 PolarHBondContact O-N 3.2Å; P164-R167 WeakPolarHBondContact O-CB 3.27Å; P164-R167 PolarHBondContact O-N 2.99Å; P164-E168 PolarHBondContact O-N 2.53Å
165P85.4Confident87.8Confident66 Ų6654 Ų5443%0.42929%0.293SS..Hα-helixtrans-69.8-29.717927.4-35.9000113.2S163 R169S163-P165 VanDerWaalsContact C-CD 3.49Å; P165-R169 WeakPolarHBondContact O-CG 3.46Å; P165-R169 PolarHBondContact O-N 3.42Å
166K86Confident87.7Confident80 Ų8054.3 Ų54.335%0.34830%0.302SS..Hα-helixtrans-76-34.6174.7-65-175.8-178.3175.80111.1A160 S163 P164 R169 L170A160-K166 HydrophobicContact CB-CB 4.09Å; S163-K166 PolarHBondContact O-N 3.42Å; P164-K166 VanDerWaalsContact C-N 3.34Å; P164-K166 PolarHBondContact O-N 3.2Å; K166-R169 PolarHBondContact O-N 2.9Å; K166-L170 WeakPolarHBondContact O-CB 3.43Å; K166-L170 PolarHBondContact O-N 3Å
167R86.9Confident87.7Confident91 Ų9154 Ų5434%0.34330%0.303SS..Hα-helixtrans-59-48.1176.1-170.2176.967.3-173.80.3111.6A160 S163 P164 R169 L170 I171 V212A160-R167 WeakPolarHBondContact O-CA 3.28Å; A160-R167 WeakPolarHBondContact O-CB 3.27Å; A160-R167 PolarHBondContact O-N 3.41Å; S163-R167 PolarHBondContact O-N 2.86Å; P164-R167 WeakPolarHBondContact O-CB 3.27Å; P164-R167 PolarHBondContact O-N 2.99Å; R167-R169 VanDerWaalsContact C-N 3.31Å; R167-R169 PolarHBondContact O-N 3.08Å; R167-L170 WeakPolarHBondContact O-CB 3.48Å; R167-L170 PolarHBondContact O-N 3.29Å; R167-I171 HydrophobicContact CG-CD1 4.23Å; R167-I171 VanDerWaalsContact O-CG1 3.31Å; R167-I171 WeakPolarHBondContact O-CG1 3.3Å; R167-I171 PolarHBondContact O-N 2.58Å; R167-V212 HydrophobicContact CG-CG1 4.2Å
168E86.8Confident87.6Confident94 Ų9458.5 Ų58.544%0.43933%0.326SS..Hα-helixtrans-63-37.1176.5-70-62.7151.500112.3P164 I171 A172 K214P164-E168 PolarHBondContact O-N 2.53Å; E168-I171 PolarHBondContact O-N 3.28Å; E168-A172 WeakPolarHBondContact O-CB 3.37Å; E168-A172 PolarHBondContact O-N 2.84Å; E168-K214 IonicContact OE1-NZ 2.6Å
169R86.7Confident87.7Confident95 Ų9557 Ų5736%0.35832%0.315SS..Hα-helixtrans-67.9-37.9174.3-67.1176.2-160167.36.5112.6L140 P165 K166 R167 F173L140-R169 HydrophobicContact CB-CB 4.13Å; P165-R169 WeakPolarHBondContact O-CG 3.46Å; P165-R169 PolarHBondContact O-N 3.42Å; K166-R169 PolarHBondContact O-N 2.9Å; R167-R169 VanDerWaalsContact C-N 3.31Å; R167-R169 PolarHBondContact O-N 3.08Å; R169-F173 VanDerWaalsContact O-CB 3.31Å; R169-F173 WeakPolarHBondContact O-CB 3.31Å; R169-F173 PolarHBondContact O-N 3.34Å
170L90.3Very high87.9Confident0 Ų052.5 Ų52.50%029%0.294CS..Hα-helixtrans-61.9-48.4174.3174.566.2000110.3L140 L142 V157 A160 V161 K166 R167 F173 L174 L209L140-L170 HydrophobicContact CD2-CB 3.87Å; L140-L170 HydrophobicContact CD2-CD1 4.24Å; L142-L170 HydrophobicContact CD1-CD1 3.7Å; L142-L170 HydrophobicContact CD2-CD1 4.5Å; L142-L170 HydrophobicContact CG-CD1 4.33Å; V157-L170 HydrophobicContact CG1-CD2 4.3Å; A160-L170 HydrophobicContact CB-CB 4.09Å; A160-L170 HydrophobicContact CB-CD2 3.92Å; V161-L170 HydrophobicContact CG2-CD2 4.31Å; K166-L170 WeakPolarHBondContact O-CB 3.43Å; K166-L170 PolarHBondContact O-N 3Å; R167-L170 WeakPolarHBondContact O-CB 3.48Å; R167-L170 PolarHBondContact O-N 3.29Å; L170-F173 WeakPolarHBondContact O-CB 3.44Å; L170-F173 PolarHBondContact O-N 3.43Å; L170-L174 HydrophobicContact CD1-CD1 3.96Å; L170-L174 HydrophobicContact CD1-CG 4.08Å; L170-L174 HydrophobicContact CG-CD1 3.91Å; L170-L174 HydrophobicContact CG-CG 4.39Å; L170-L174 VanDerWaalsContact O-CG 3.28Å; L170-L174 WeakPolarHBondContact O-CG 3.35Å; L170-L174 PolarHBondContact O-N 2.91Å; L170-L209 HydrophobicContact CD2-CD2 4.34Å
171I89.1Confident88.2Confident5 Ų556 Ų563%0.02631%0.31CS..Hα-helixtrans-58.1-51.7177.2-65.6163.4000110.2R167 E168 F173 L174 E175 V212 K214R167-I171 HydrophobicContact CG-CD1 4.23Å; R167-I171 VanDerWaalsContact O-CG1 3.31Å; R167-I171 WeakPolarHBondContact O-CG1 3.3Å; R167-I171 PolarHBondContact O-N 2.58Å; E168-I171 PolarHBondContact O-N 3.28Å; I171-F173 VanDerWaalsContact C-N 3.26Å; I171-F173 PolarHBondContact O-N 3.45Å; I171-L174 PolarHBondContact O-N 3.44Å; I171-L174 VanDerWaalsContact O-N 3.13Å; I171-E175 HydrophobicContact CG2-CG 4.31Å; I171-E175 WeakPolarHBondContact CG2-OE1 3.41Å; I171-E175 WeakPolarHBondContact O-CG 3.1Å; I171-E175 PolarHBondContact O-N 3.09Å; I171-V212 HydrophobicContact CD1-CG1 3.6Å; I171-V212 HydrophobicContact CG1-CG1 3.79Å; I171-K214 HydrophobicContact CD1-CB 4.21Å; I171-K214 HydrophobicContact CD1-CD 4.24Å; I171-K214 HydrophobicContact CD1-CG 4.15Å; I171-K214 HydrophobicContact CG2-CG 4.35Å
172A88.3Confident88.6Confident52 Ų5258.3 Ų58.343%0.4332%0.319SS..Hα-helixtrans-60.1-35.4178.600000112.8E168 S176E168-A172 WeakPolarHBondContact O-CB 3.37Å; E168-A172 PolarHBondContact O-N 2.84Å; A172-S176 VanDerWaalsContact O-CB 3.29Å; A172-S176 WeakPolarHBondContact O-CB 3.27Å; A172-S176 PolarHBondContact O-N 3.46Å; A172-S176 VanDerWaalsContact O-N 3.11Å; A172-S176 PolarHBondContact O-OG 3.17Å
173F90.3Very high89Confident46 Ų4654.3 Ų54.320%0.20229%0.286CS..Hα-helixtrans-67-47.7173.9177.8-92.1000111.6L142 R169 L170 I171 E175 S176 T177 Y179L142-F173 HydrophobicContact CB-CE1 3.91Å; L142-F173 HydrophobicContact CB-CZ 4.25Å; L142-F173 HydrophobicContact CD1-CD1 3.96Å; L142-F173 HydrophobicContact CD1-CE1 3.84Å; L142-F173 HydrophobicContact CG-CD1 4.34Å; L142-F173 HydrophobicContact CG-CE1 4.12Å; R169-F173 VanDerWaalsContact O-CB 3.31Å; R169-F173 WeakPolarHBondContact O-CB 3.31Å; R169-F173 PolarHBondContact O-N 3.34Å; L170-F173 WeakPolarHBondContact O-CB 3.44Å; L170-F173 PolarHBondContact O-N 3.43Å; I171-F173 VanDerWaalsContact C-N 3.26Å; I171-F173 PolarHBondContact O-N 3.45Å; F173-E175 VanDerWaalsContact C-N 3.32Å; F173-E175 PolarHBondContact O-N 3.44Å; F173-S176 PolarHBondContact O-N 3.04Å; F173-S176 PolarHBondContact O-OG 3.18Å; F173-T177 HydrophobicContact CD2-CG2 4.06Å; F173-T177 HydrophobicContact CE1-CG2 4.41Å; F173-T177 HydrophobicContact CE2-CG2 3.85Å; F173-T177 HydrophobicContact CG-CG2 4.45Å; F173-T177 HydrophobicContact CZ-CG2 4.04Å; F173-T177 WeakPolarHBondContact O-CB 3.33Å; F173-T177 VanDerWaalsContact O-CG2 3.31Å; F173-T177 WeakPolarHBondContact O-CG2 3.28Å; F173-T177 PolarHBondContact O-N 3.28Å; F173-T177 PolarHBondContact O-OG1 2.8Å; F173-Y179 AromaticContact CE1-CD2 3.76Å; F173-Y179 HydrophobicContact CE1-CD2 3.76Å; F173-Y179 HydrophobicContact CE1-CE2 4.26Å; F173-Y179 AromaticContact CE1-CG 3.98Å; F173-Y179 HydrophobicContact CE1-CG 3.98Å; F173-Y179 HydrophobicContact CZ-CD2 4.2Å
174L91.3Very high89.4Confident5 Ų553 Ų533%0.02628%0.276CS..Hα-helixtrans-65.4-33.6-179.9-67.4172.7000112.5L142 L170 I171 Y179 L180 L209 L217L142-L174 HydrophobicContact CD1-CD2 4.37Å; L170-L174 HydrophobicContact CD1-CD1 3.96Å; L170-L174 HydrophobicContact CD1-CG 4.08Å; L170-L174 HydrophobicContact CG-CD1 3.91Å; L170-L174 HydrophobicContact CG-CG 4.39Å; L170-L174 VanDerWaalsContact O-CG 3.28Å; L170-L174 WeakPolarHBondContact O-CG 3.35Å; L170-L174 PolarHBondContact O-N 2.91Å; I171-L174 PolarHBondContact O-N 3.44Å; I171-L174 VanDerWaalsContact O-N 3.13Å; L174-Y179 HydrophobicContact CD2-CD1 3.76Å; L174-Y179 HydrophobicContact CD2-CG 4.21Å; L174-L180 HydrophobicContact CD2-CD2 4.21Å; L174-L209 HydrophobicContact CD1-CD1 4.49Å; L174-L209 HydrophobicContact CD1-CD2 3.46Å; L174-L209 VanDerWaalsContact CD1-CD2 3.46Å; L174-L217 HydrophobicContact CD1-CD1 4.35Å
175E87.9Confident89.9Confident91 Ų9153.9 Ų53.943%0.42528%0.277SS..Hα-helixtrans-75.4-32.4176.3-71.4175.6174.900112.9I171 F173 S216I171-E175 HydrophobicContact CG2-CG 4.31Å; I171-E175 WeakPolarHBondContact CG2-OE1 3.41Å; I171-E175 WeakPolarHBondContact O-CG 3.1Å; I171-E175 PolarHBondContact O-N 3.09Å; F173-E175 VanDerWaalsContact C-N 3.32Å; F173-E175 PolarHBondContact O-N 3.44Å; E175-S216 WeakPolarHBondContact OE1-CB 3.44Å; E175-S216 PolarHBondContact OE1-OG 2.59Å
176S87.2Confident90.3Very high95 Ų9551 Ų5166%0.66426%0.258SS*.Hα-helixtrans-88.4-9.3-179.260.20000114.1A172 F173A172-S176 VanDerWaalsContact O-CB 3.29Å; A172-S176 WeakPolarHBondContact O-CB 3.27Å; A172-S176 PolarHBondContact O-N 3.46Å; A172-S176 VanDerWaalsContact O-N 3.11Å; A172-S176 PolarHBondContact O-OG 3.17Å; F173-S176 PolarHBondContact O-N 3.04Å; F173-S176 PolarHBondContact O-OG 3.18Å
177T89.2Confident90.8Very high49 Ų4947.1 Ų47.130%0.30124%0.241SC..SBendtrans-125.3155.4-176.265.30000111.6F173 Y179F173-T177 HydrophobicContact CD2-CG2 4.06Å; F173-T177 HydrophobicContact CE1-CG2 4.41Å; F173-T177 HydrophobicContact CE2-CG2 3.85Å; F173-T177 HydrophobicContact CG-CG2 4.45Å; F173-T177 HydrophobicContact CZ-CG2 4.04Å; F173-T177 WeakPolarHBondContact O-CB 3.33Å; F173-T177 VanDerWaalsContact O-CG2 3.31Å; F173-T177 WeakPolarHBondContact O-CG2 3.28Å; F173-T177 PolarHBondContact O-N 3.28Å; F173-T177 PolarHBondContact O-OG1 2.8Å; T177-Y179 PolarHBondContact O-N 2.88Å; T177-Y179 WeakPolarHBondContact OG1-CB 3.35Å
178N88.8Confident91.2Very high96 Ų9646.2 Ų46.251%0.51324%0.241SC..SBendtrans-81.331.6175.4-154.841.8000112.5H181 Q182N178-H181 PolarHBondContact O-N 2.83Å; N178-H181 PolarHBondContact OD1-CD2 2.87Å; N178-Q182 WeakPolarHBondContact O-CG 3.33Å; N178-Q182 PolarHBondContact O-N 2.76Å; N178-Q182 VanDerWaalsContact O-N 3.16Å
179Y92Very high91.6Very high8 Ų847.4 Ų47.43%0.03124%0.244CC..Hα-helixtrans-68.9-35.9-168.7-162.8-93.8000112.3L142 P143 C145 V153 F173 L174 T177 Q182 L183L142-Y179 HydrophobicContact CB-CE1 4.42Å; L142-Y179 HydrophobicContact CB-CE2 3.88Å; L142-Y179 HydrophobicContact CD1-CD1 4.07Å; L142-Y179 HydrophobicContact CD1-CE1 3.65Å; L142-Y179 HydrophobicContact CD1-CE2 4.4Å; P143-Y179 WeakPolarHBondContact O-CE2 3.43Å; P143-Y179 PolarHBondContact O-OH 3.23Å; C145-Y179 VanDerWaalsContact SG-CE1 3.51Å; C145-Y179 WeakPolarHBondContact SG-CE2 3.24Å; V153-Y179 HydrophobicContact CG1-CE1 4.42Å; V153-Y179 WeakPolarHBondContact CG2-OH 3.45Å; F173-Y179 AromaticContact CE1-CD2 3.76Å; F173-Y179 HydrophobicContact CE1-CD2 3.76Å; F173-Y179 HydrophobicContact CE1-CE2 4.26Å; F173-Y179 AromaticContact CE1-CG 3.98Å; F173-Y179 HydrophobicContact CE1-CG 3.98Å; F173-Y179 HydrophobicContact CZ-CD2 4.2Å; L174-Y179 HydrophobicContact CD2-CD1 3.76Å; L174-Y179 HydrophobicContact CD2-CG 4.21Å; T177-Y179 PolarHBondContact O-N 2.88Å; T177-Y179 WeakPolarHBondContact OG1-CB 3.35Å; Y179-Q182 WeakPolarHBondContact O-CB 3.45Å; Y179-Q182 PolarHBondContact O-N 3.13Å; Y179-L183 HydrophobicContact CD1-CD1 3.92Å; Y179-L183 HydrophobicContact CD1-CG 4.04Å; Y179-L183 HydrophobicContact CE1-CD1 3.97Å; Y179-L183 HydrophobicContact CE1-CD2 4.1Å; Y179-L183 HydrophobicContact CE1-CG 3.96Å; Y179-L183 PolarHBondContact O-N 2.84Å
180L92.5Very high92Very high7 Ų742.9 Ų42.94%0.03723%0.227CC..Hα-helixtrans-60.8-46.1176.3-62.8176.7000111.7L174 Q182 L183 V184 L209 L217 N220 L221 M226L174-L180 HydrophobicContact CD2-CD2 4.21Å; L180-Q182 VanDerWaalsContact C-N 3.31Å; L180-Q182 PolarHBondContact O-N 2.93Å; L180-L183 WeakPolarHBondContact O-CB 3.36Å; L180-L183 PolarHBondContact O-N 3.08Å; L180-V184 PolarHBondContact O-N 3.33Å; L180-V184 VanDerWaalsContact O-N 3.1Å; L180-L209 HydrophobicContact CD2-CD1 3.75Å; L180-L217 HydrophobicContact CD1-CD1 3.91Å; L180-N220 HydrophobicContact CD1-CB 3.87Å; L180-L221 HydrophobicContact CD1-CD2 4.13Å; L180-L221 HydrophobicContact CD2-CD2 3.99Å; L180-M226 HydrophobicContact CB-CE 4.12Å; L180-M226 HydrophobicContact CB-SD 4.06Å; L180-M226 HydrophobicContact CD1-CE 4.29Å
181H93.2Very high92.2Very high74 Ų7444.9 Ų44.934%0.34324%0.237SC..Hα-helixtrans-63.8-36.5174.4-75-81.8000112.3N178 L183 V184 D185 D225N178-H181 PolarHBondContact O-N 2.83Å; N178-H181 PolarHBondContact OD1-CD2 2.87Å; H181-L183 VanDerWaalsContact C-N 3.33Å; H181-L183 PolarHBondContact O-N 3.34Å; H181-V184 PolarHBondContact O-N 3.47Å; H181-D185 PolarHBondContact O-N 3.48Å; H181-D225 IonicContact CE1-OD2 3.43Å
182Q93.3Very high92.4Very high77 Ų7751.4 Ų51.436%0.3627%0.272SS..Hα-helixtrans-65.4-35.5174.4-68.5172.638.300112.4C145 N178 Y179 L180 V184 D185 V186C145-Q182 HydrophobicContact CB-CB 3.8Å; N178-Q182 WeakPolarHBondContact O-CG 3.33Å; N178-Q182 PolarHBondContact O-N 2.76Å; N178-Q182 VanDerWaalsContact O-N 3.16Å; Y179-Q182 WeakPolarHBondContact O-CB 3.45Å; Y179-Q182 PolarHBondContact O-N 3.13Å; L180-Q182 VanDerWaalsContact C-N 3.31Å; L180-Q182 PolarHBondContact O-N 2.93Å; Q182-V184 VanDerWaalsContact C-N 3.32Å; Q182-D185 PolarHBondContact O-N 3.3Å; Q182-V186 WeakPolarHBondContact O-CG2 3.31Å; Q182-V186 PolarHBondContact O-N 3.3Å
183L94Very high92.7Very high2 Ų254.6 Ų54.61%0.0128%0.281CS..Hα-helixtrans-63.3-39.6172.4-73171.1000111.2Y179 L180 H181 V186 F187 L202 I205 L209Y179-L183 HydrophobicContact CD1-CD1 3.92Å; Y179-L183 HydrophobicContact CD1-CG 4.04Å; Y179-L183 HydrophobicContact CE1-CD1 3.97Å; Y179-L183 HydrophobicContact CE1-CD2 4.1Å; Y179-L183 HydrophobicContact CE1-CG 3.96Å; Y179-L183 PolarHBondContact O-N 2.84Å; L180-L183 WeakPolarHBondContact O-CB 3.36Å; L180-L183 PolarHBondContact O-N 3.08Å; H181-L183 VanDerWaalsContact C-N 3.33Å; H181-L183 PolarHBondContact O-N 3.34Å; L183-V186 PolarHBondContact O-N 3.34Å; L183-F187 WeakPolarHBondContact O-CB 3.48Å; L183-F187 PolarHBondContact O-N 3.47Å; L183-L202 HydrophobicContact CD2-CD2 4.12Å; L183-I205 HydrophobicContact CD1-CG2 3.92Å; L183-I205 HydrophobicContact CD2-CD1 4.35Å; L183-L209 HydrophobicContact CD1-CD1 4.26Å
184V94.7Very high92.7Very high8 Ų860.3 Ų60.35%0.04831%0.308CS..Hα-helixtrans-65.8-42.5175173.50000111.8L180 H181 Q182 V186 F187 H188 M226 D229 I233L180-V184 PolarHBondContact O-N 3.33Å; L180-V184 VanDerWaalsContact O-N 3.1Å; H181-V184 PolarHBondContact O-N 3.47Å; Q182-V184 VanDerWaalsContact C-N 3.32Å; V184-V186 VanDerWaalsContact C-N 3.26Å; V184-V186 PolarHBondContact O-N 3.34Å; V184-F187 WeakPolarHBondContact O-CA 3.48Å; V184-F187 WeakPolarHBondContact O-CB 3.06Å; V184-F187 PolarHBondContact O-N 3.37Å; V184-F187 VanDerWaalsContact O-N 3.08Å; V184-H188 PolarHBondContact O-N 3.27Å; V184-M226 HydrophobicContact CG2-CG 3.82Å; V184-M226 HydrophobicContact CG2-SD 4.02Å; V184-D229 HydrophobicContact CG1-CB 3.69Å; V184-D229 HydrophobicContact CG2-CB 4.19Å; V184-I233 HydrophobicContact CG2-CD1 4.47Å
185D94.2Very high92.8Very high90 Ų9062.5 Ų62.548%0.48132%0.32SS..Hα-helixtrans-60.6-36.9174.9-72.1-26000112.1H181 Q182 K189H181-D185 PolarHBondContact O-N 3.48Å; Q182-D185 PolarHBondContact O-N 3.3Å; D185-K189 WeakPolarHBondContact O-CG 3.37Å; D185-K189 PolarHBondContact O-N 2.87Å
186V94.3Very high93Very high5 Ų562.3 Ų62.33%0.0332%0.32CS..Hα-helixtrans-71.5-38.7174.1173.90000110.8C145 L147 L150 Q182 L183 V184 K189 A190 L202C145-V186 HydrophobicContact CB-CG2 3.89Å; C145-V186 VanDerWaalsContact O-CG2 3.27Å; C145-V186 WeakPolarHBondContact O-CG2 3.5Å; L147-V186 HydrophobicContact CD2-CG1 3.78Å; L147-V186 HydrophobicContact CG-CG1 4.16Å; L150-V186 HydrophobicContact CD1-CG1 4.05Å; L150-V186 HydrophobicContact CD2-CG1 4.27Å; Q182-V186 WeakPolarHBondContact O-CG2 3.31Å; Q182-V186 PolarHBondContact O-N 3.3Å; L183-V186 PolarHBondContact O-N 3.34Å; V184-V186 VanDerWaalsContact C-N 3.26Å; V184-V186 PolarHBondContact O-N 3.34Å; V186-K189 PolarHBondContact O-N 3.37Å; V186-A190 WeakPolarHBondContact O-CB 3.29Å; V186-A190 PolarHBondContact O-N 2.81Å; V186-L202 HydrophobicContact CG1-CD1 4.47Å
187F96Very high93.3Very high0 Ų064 Ų640%032%0.317CS..Hα-helixtrans-58.4-48.6173.9165-109000112.2L183 V184 K189 A190 E191 L199 L202 G232 I233 Y236L183-F187 WeakPolarHBondContact O-CB 3.48Å; L183-F187 PolarHBondContact O-N 3.47Å; V184-F187 WeakPolarHBondContact O-CA 3.48Å; V184-F187 WeakPolarHBondContact O-CB 3.06Å; V184-F187 PolarHBondContact O-N 3.37Å; V184-F187 VanDerWaalsContact O-N 3.08Å; F187-K189 VanDerWaalsContact C-N 3.29Å; F187-K189 PolarHBondContact O-N 3.25Å; F187-A190 PolarHBondContact O-N 3.04Å; F187-A190 VanDerWaalsContact O-N 3.16Å; F187-E191 HydrophobicContact CE2-CB 4.39Å; F187-E191 WeakPolarHBondContact CZ-OE2 3.31Å; F187-E191 WeakPolarHBondContact O-CB 3.48Å; F187-E191 PolarHBondContact O-N 3.28Å; F187-L199 HydrophobicContact CD2-CD2 3.67Å; F187-L199 HydrophobicContact CE2-CD2 3.77Å; F187-L202 HydrophobicContact CB-CD1 3.9Å; F187-L202 HydrophobicContact CD2-CD1 4.33Å; F187-G232 VanDerWaalsContact CZ-C 3.45Å; F187-I233 HydrophobicContact CB-CD1 4.02Å; F187-I233 HydrophobicContact CB-CG1 3.83Å; F187-I233 HydrophobicContact CD1-CD1 4.36Å; F187-I233 HydrophobicContact CD1-CG1 3.81Å; F187-I233 HydrophobicContact CD2-CB 4.34Å; F187-I233 HydrophobicContact CD2-CD1 4.47Å; F187-I233 HydrophobicContact CD2-CG1 3.39Å; F187-I233 HydrophobicContact CE1-CG1 4.24Å; F187-I233 HydrophobicContact CE2-CB 4.47Å; F187-I233 HydrophobicContact CE2-CG1 3.85Å; F187-I233 HydrophobicContact CG-CD1 4.03Å; F187-I233 HydrophobicContact CG-CG1 3.37Å; F187-I233 HydrophobicContact CZ-CG1 4.26Å; F187-Y236 HydrophobicContact CE2-CD2 4.12Å; F187-Y236 AromaticContact CE2-CE2 3.85Å; F187-Y236 HydrophobicContact CE2-CE2 3.85Å; F187-Y236 HydrophobicContact CZ-CE2 4.33Å
188H95.7Very high93.5Very high72 Ų7261.9 Ų61.933%0.33331%0.305SS..Hα-helixtrans-59.1-41.2177-66.9162000111.7V184 E191 D192 D229V184-H188 PolarHBondContact O-N 3.27Å; H188-E191 PolarHBondContact O-N 3.47Å; H188-D192 WeakPolarHBondContact O-CB 3.42Å; H188-D192 VanDerWaalsContact O-CG 3.25Å; H188-D192 PolarHBondContact O-N 2.86Å; H188-D229 IonicContact CD2-OD1 3.31Å; H188-D229 IonicContact CE1-OD1 2.7Å; H188-D229 IonicContact CE1-OD2 2.62Å; H188-D229 VanDerWaalsContact NE2-CG 3.27Å; H188-D229 IonicContact NE2-OD1 3.86Å; H188-D229 PolarHBondContact NE2-OD1 3.17Å; H188-D229 IonicContact NE2-OD2 2.62Å
189K94.6Very high93.8Very high118 Ų11857.4 Ų57.451%0.51328%0.281SS..Hα-helixtrans-65.6-43.1174.9-68.5167.6-170.8162.50112.5D185 V186 F187 E191 D192 L193D185-K189 WeakPolarHBondContact O-CG 3.37Å; D185-K189 PolarHBondContact O-N 2.87Å; V186-K189 PolarHBondContact O-N 3.37Å; F187-K189 VanDerWaalsContact C-N 3.29Å; F187-K189 PolarHBondContact O-N 3.25Å; K189-E191 VanDerWaalsContact C-N 3.33Å; K189-D192 PolarHBondContact O-N 3.3Å; K189-L193 WeakPolarHBondContact O-CB 3.44Å; K189-L193 WeakPolarHBondContact O-CG 3.35Å; K189-L193 PolarHBondContact O-N 3.1Å
190A94.6Very high93.9Very high0 Ų060 Ų600%029%0.293CS..Hα-helixtrans-64.9-39.9178.700000111.1L147 V186 F187 L193 E194 D195 L199 L202L147-A190 HydrophobicContact CD2-CB 3.76Å; V186-A190 WeakPolarHBondContact O-CB 3.29Å; V186-A190 PolarHBondContact O-N 2.81Å; F187-A190 PolarHBondContact O-N 3.04Å; F187-A190 VanDerWaalsContact O-N 3.16Å; A190-L193 PolarHBondContact O-N 2.9Å; A190-E194 PolarHBondContact O-N 3.47Å; A190-E194 VanDerWaalsContact O-N 3.11Å; A190-D195 PolarHBondContact O-N 3.17Å; A190-L199 HydrophobicContact CB-CD2 3.85Å; A190-L199 HydrophobicContact CB-CG 3.99Å; A190-L202 HydrophobicContact CB-CD1 4.06Å
191E94.4Very high94Very high43 Ų4361.4 Ų61.420%0.20130%0.3CS..Hα-helixtrans-65.8-45.7175.6-179.6163.8-137.800111.4F187 H188 K189 L193 E194 L199 Y236 R241 R245F187-E191 HydrophobicContact CE2-CB 4.39Å; F187-E191 WeakPolarHBondContact CZ-OE2 3.31Å; F187-E191 WeakPolarHBondContact O-CB 3.48Å; F187-E191 PolarHBondContact O-N 3.28Å; H188-E191 PolarHBondContact O-N 3.47Å; K189-E191 VanDerWaalsContact C-N 3.33Å; E191-L193 VanDerWaalsContact C-N 3.29Å; E191-L193 PolarHBondContact O-N 3.29Å; E191-E194 PolarHBondContact O-N 3.33Å; E191-E194 VanDerWaalsContact O-N 3.1Å; E191-L199 HydrophobicContact CB-CD2 4.36Å; E191-Y236 PolarHBondContact OE1-OH 2.79Å; E191-R241 IonicContact OE1-NH2 2.64Å; E191-R245 IonicContact OE1-CZ 2.7Å; E191-R245 IonicContact OE1-NH1 3.47Å; E191-R245 PolarHBondContact OE1-NH1 3.29Å; E191-R245 IonicContact OE1-NH2 2.7Å; E191-R245 PolarHBondContact OE1-NH2 2.91Å; E191-R245 IonicContact OE2-CZ 3.54Å; E191-R245 IonicContact OE2-NH1 2.8Å; E191-R245 PolarHBondContact OE2-NH1 2.9Å; E191-R245 IonicContact OE2-NH2 2.81Å
192D94.1Very high94.1Very high141 Ų14158.1 Ų58.175%0.75428%0.284SS*.Hα-helixtrans-63.5-32.9176.8-78-16.2000113H188 K189 E194H188-D192 WeakPolarHBondContact O-CB 3.42Å; H188-D192 VanDerWaalsContact O-CG 3.25Å; H188-D192 PolarHBondContact O-N 2.86Å; K189-D192 PolarHBondContact O-N 3.3Å; D192-E194 VanDerWaalsContact C-N 3.31Å
193L94.2Very high94.1Very high120 Ų12054.8 Ų54.863%0.62827%0.269SS*.THydrogen-bonded Turntrans-84-5.5176.7-68.2173.9000113.4L147 K189 A190 E191 D195L147-L193 HydrophobicContact CD1-CD1 3.91Å; K189-L193 WeakPolarHBondContact O-CB 3.44Å; K189-L193 WeakPolarHBondContact O-CG 3.35Å; K189-L193 PolarHBondContact O-N 3.1Å; A190-L193 PolarHBondContact O-N 2.9Å; E191-L193 VanDerWaalsContact C-N 3.29Å; E191-L193 PolarHBondContact O-N 3.29Å; L193-D195 HydrophobicContact CB-CB 4.37Å; L193-D195 PolarHBondContact O-N 2.86Å
194E91.4Very high94Very high165 Ų16557 Ų5777%0.77128%0.279SS*.THydrogen-bonded Turntrans52.633.7-171-58.2-176.6171.400112.8A190 E191 D192 M196A190-E194 PolarHBondContact O-N 3.47Å; A190-E194 VanDerWaalsContact O-N 3.11Å; E191-E194 PolarHBondContact O-N 3.33Å; E191-E194 VanDerWaalsContact O-N 3.1Å; D192-E194 VanDerWaalsContact C-N 3.31Å; E194-M196 PolarHBondContact O-N 3.03Å
195D92.6Very high94Very high51 Ų5156.7 Ų56.727%0.27328%0.277SS..  trans-80.987.5-178.3-177.55.4000111.2A190 L193 E197 S198 L199A190-D195 PolarHBondContact O-N 3.17Å; L193-D195 HydrophobicContact CB-CB 4.37Å; L193-D195 PolarHBondContact O-N 2.86Å; D195-E197 PolarHBondContact O-N 2.73Å; D195-E197 PolarHBondContact OD1-N 2.92Å; D195-S198 PolarHBondContact O-N 3.37Å; D195-S198 PolarHBondContact OD1-N 2.98Å; D195-S198 WeakPolarHBondContact OD2-CB 3.1Å; D195-S198 PolarHBondContact OD2-OG 2.88Å; D195-L199 WeakPolarHBondContact O-CB 3.41Å; D195-L199 WeakPolarHBondContact O-CD1 3.45Å; D195-L199 WeakPolarHBondContact O-CG 3.39Å; D195-L199 PolarHBondContact O-N 3.16Å
196M92.8Very high94Very high87 Ų8752.6 Ų52.643%0.42926%0.255SS..Hα-helixtrans-58.8-33.1-177.9-67.6-58.5-55.100113.7E194 L199 H200 Y236E194-M196 PolarHBondContact O-N 3.03Å; M196-L199 PolarHBondContact O-N 3.44Å; M196-L199 HydrophobicContact SD-CD1 4.31Å; M196-H200 WeakPolarHBondContact CE-NE2 3.33Å; M196-H200 PolarHBondContact O-CD2 2.9Å; M196-H200 PolarHBondContact O-N 3.41Å; M196-H200 PolarHBondContact O-ND1 2.94Å; M196-Y236 HydrophobicContact CE-CD1 4.08Å; M196-Y236 HydrophobicContact SD-CD1 4.32Å; M196-Y236 HydrophobicContact SD-CE1 4.31Å
197E92.6Very high93.9Very high130 Ų13055.1 Ų55.161%0.60726%0.264SS*.Hα-helixtrans-67.6-51.5-179.6-177174.3-177.300110D195 L199 H200 H201D195-E197 PolarHBondContact O-N 2.73Å; D195-E197 PolarHBondContact OD1-N 2.92Å; E197-L199 VanDerWaalsContact C-N 3.28Å; E197-L199 PolarHBondContact O-N 3.37Å; E197-H200 PolarHBondContact O-N 3.48Å; E197-H201 PolarHBondContact O-N 3.3Å; E197-H201 VanDerWaalsContact O-N 3.14Å; E197-H201 PolarHBondContact O-ND1 2.76Å
198S93.5Very high93.6Very high6 Ų656.7 Ų56.74%0.04227%0.271CS..Hα-helixtrans-58.8-39.2174.4-70.10000112.4L147 D195 H201 L202L147-S198 WeakPolarHBondContact CD2-OG 3.42Å; D195-S198 PolarHBondContact O-N 3.37Å; D195-S198 PolarHBondContact OD1-N 2.98Å; D195-S198 WeakPolarHBondContact OD2-CB 3.1Å; D195-S198 PolarHBondContact OD2-OG 2.88Å; S198-H201 PolarHBondContact O-N 2.96Å; S198-L202 VanDerWaalsContact O-CG 3.3Å; S198-L202 WeakPolarHBondContact O-CG 3.45Å; S198-L202 PolarHBondContact O-N 2.85Å
199L94.6Very high93.4Very high2 Ų253.3 Ų53.31%0.0126%0.256CS..Hα-helixtrans-65.5-38.6178.9-69.8164.9000112.6F187 A190 E191 D195 M196 E197 L202 Y203 Y236F187-L199 HydrophobicContact CD2-CD2 3.67Å; F187-L199 HydrophobicContact CE2-CD2 3.77Å; A190-L199 HydrophobicContact CB-CD2 3.85Å; A190-L199 HydrophobicContact CB-CG 3.99Å; E191-L199 HydrophobicContact CB-CD2 4.36Å; D195-L199 WeakPolarHBondContact O-CB 3.41Å; D195-L199 WeakPolarHBondContact O-CD1 3.45Å; D195-L199 WeakPolarHBondContact O-CG 3.39Å; D195-L199 PolarHBondContact O-N 3.16Å; M196-L199 PolarHBondContact O-N 3.44Å; M196-L199 HydrophobicContact SD-CD1 4.31Å; E197-L199 VanDerWaalsContact C-N 3.28Å; E197-L199 PolarHBondContact O-N 3.37Å; L199-L202 HydrophobicContact CD2-CD1 4.47Å; L199-L202 PolarHBondContact O-N 3.3Å; L199-Y203 PolarHBondContact O-N 3.14Å; L199-Y236 HydrophobicContact CB-CD1 3.99Å; L199-Y236 HydrophobicContact CB-CG 3.95Å; L199-Y236 HydrophobicContact CD1-CD1 3.85Å; L199-Y236 HydrophobicContact CD1-CE1 3.58Å; L199-Y236 HydrophobicContact CD1-CG 4.4Å; L199-Y236 HydrophobicContact CD2-CD2 4.15Å; L199-Y236 HydrophobicContact CD2-CE2 4.15Å; L199-Y236 HydrophobicContact CD2-CG 4.38Å; L199-Y236 HydrophobicContact CG-CD1 4.37Å; L199-Y236 HydrophobicContact CG-CE1 4.46Å; L199-Y236 HydrophobicContact CG-CG 4.47Å
200H94.4Very high93.3Very high62 Ų6247.7 Ų47.729%0.28723%0.231SC..Hα-helixtrans-65.6-40173.5-68.4168.8000112.2M196 E197 Y203 E204 Y236 P238M196-H200 WeakPolarHBondContact CE-NE2 3.33Å; M196-H200 PolarHBondContact O-CD2 2.9Å; M196-H200 PolarHBondContact O-N 3.41Å; M196-H200 PolarHBondContact O-ND1 2.94Å; E197-H200 PolarHBondContact O-N 3.48Å; H200-Y203 WeakPolarHBondContact O-CB 3.31Å; H200-Y203 PolarHBondContact O-N 2.75Å; H200-E204 PolarHBondContact O-N 3.26Å; H200-E204 VanDerWaalsContact O-N 3.1Å; H200-Y236 PolarHBondContact CD2-O 3.19Å; H200-P238 HydrophobicContact CB-CG 4.19Å
201H94.1Very high93Very high37 Ų3749.8 Ų49.817%0.17124%0.242CC..Hα-helixtrans-64-42.6174.4-67.2102.3000111.5L150 V154 E197 S198 Y203 E204 I205L150-H201 HydrophobicContact CB-CB 3.77Å; V154-H201 HydrophobicContact CG2-CB 3.82Å; V154-H201 WeakPolarHBondContact CG2-O 3.34Å; E197-H201 PolarHBondContact O-N 3.3Å; E197-H201 VanDerWaalsContact O-N 3.14Å; E197-H201 PolarHBondContact O-ND1 2.76Å; S198-H201 PolarHBondContact O-N 2.96Å; H201-Y203 VanDerWaalsContact C-N 3.35Å; H201-Y203 PolarHBondContact O-N 3.38Å; H201-E204 PolarHBondContact O-N 3.34Å; H201-I205 VanDerWaalsContact O-CG1 3.31Å; H201-I205 WeakPolarHBondContact O-CG1 2.82Å; H201-I205 PolarHBondContact O-N 3.07Å
202L95.4Very high92.7Very high4 Ų448.2 Ų48.22%0.02124%0.236CC..Hα-helixtrans-62.3-40.6175.5-72.6164.5000112.2L150 L183 V186 F187 A190 S198 L199 E204 I205 M206 I233L150-L202 HydrophobicContact CD1-CD1 4.35Å; L150-L202 HydrophobicContact CD1-CD2 4.41Å; L150-L202 HydrophobicContact CD1-CG 4.02Å; L150-L202 HydrophobicContact CD2-CD2 3.81Å; L150-L202 HydrophobicContact CD2-CG 4.24Å; L183-L202 HydrophobicContact CD2-CD2 4.12Å; V186-L202 HydrophobicContact CG1-CD1 4.47Å; F187-L202 HydrophobicContact CB-CD1 3.9Å; F187-L202 HydrophobicContact CD2-CD1 4.33Å; A190-L202 HydrophobicContact CB-CD1 4.06Å; S198-L202 VanDerWaalsContact O-CG 3.3Å; S198-L202 WeakPolarHBondContact O-CG 3.45Å; S198-L202 PolarHBondContact O-N 2.85Å; L199-L202 HydrophobicContact CD2-CD1 4.47Å; L199-L202 PolarHBondContact O-N 3.3Å; L202-E204 VanDerWaalsContact C-N 3.35Å; L202-E204 PolarHBondContact O-N 3.1Å; L202-I205 PolarHBondContact O-N 3.24Å; L202-M206 WeakPolarHBondContact O-CB 3.35Å; L202-M206 PolarHBondContact O-N 3.36Å; L202-I233 VanDerWaalsContact C-CG2 3.46Å; L202-I233 HydrophobicContact CB-CG2 4.02Å; L202-I233 VanDerWaalsContact O-CG2 3.25Å; L202-I233 WeakPolarHBondContact O-CG2 3.29Å
203Y94.3Very high92.4Very high8 Ų842.9 Ų42.93%0.03121%0.207CC..Hα-helixtrans-55.3-50.4173170.5-89.5000111L199 H200 H201 M206 R207 L234 Y236 N237 P238L199-Y203 PolarHBondContact O-N 3.14Å; H200-Y203 WeakPolarHBondContact O-CB 3.31Å; H200-Y203 PolarHBondContact O-N 2.75Å; H201-Y203 VanDerWaalsContact C-N 3.35Å; H201-Y203 PolarHBondContact O-N 3.38Å; Y203-M206 PolarHBondContact O-N 3.37Å; Y203-R207 VanDerWaalsContact O-CB 3.29Å; Y203-R207 WeakPolarHBondContact O-CB 3.12Å; Y203-R207 PolarHBondContact O-N 3.11Å; Y203-L234 HydrophobicContact CD2-CD2 4.38Å; Y203-L234 HydrophobicContact CE2-CD2 4.23Å; Y203-L234 WeakPolarHBondContact CE2-O 3.38Å; Y203-Y236 VanDerWaalsContact CB-O 3.32Å; Y203-Y236 WeakPolarHBondContact CB-O 3.24Å; Y203-N237 HydrophobicContact CD2-CB 4.19Å; Y203-N237 HydrophobicContact CE1-CB 4.23Å; Y203-N237 HydrophobicContact CE2-CB 3.66Å; Y203-N237 PolarHBondContact OH-ND2 3.35Å; Y203-P238 VanDerWaalsContact CD1-CD 3.45Å; Y203-P238 HydrophobicContact CD1-CG 4.39Å
204E92.4Very high92.2Very high48 Ų4840.8 Ų40.822%0.22419%0.193CC..Hα-helixtrans-67.1-40.8-177.8-174.357.7-162.600111.8V154 H200 H201 L202 M206 R207 Q208V154-E204 HydrophobicContact CG1-CB 4.43Å; V154-E204 HydrophobicContact CG1-CG 3.94Å; V154-E204 HydrophobicContact CG2-CB 4.43Å; H200-E204 PolarHBondContact O-N 3.26Å; H200-E204 VanDerWaalsContact O-N 3.1Å; H201-E204 PolarHBondContact O-N 3.34Å; L202-E204 VanDerWaalsContact C-N 3.35Å; L202-E204 PolarHBondContact O-N 3.1Å; E204-M206 PolarHBondContact O-N 3.07Å; E204-R207 VanDerWaalsContact CD-NH1 3.29Å; E204-R207 PolarHBondContact O-N 3.19Å; E204-R207 IonicContact OE1-NH1 3.53Å; E204-R207 PolarHBondContact OE1-NH1 3.18Å; E204-R207 IonicContact OE2-CZ 2.77Å; E204-R207 IonicContact OE2-NH1 2.97Å; E204-R207 PolarHBondContact OE2-NH1 3.48Å; E204-Q208 HydrophobicContact CG-CG 4.43Å; E204-Q208 WeakPolarHBondContact O-CB 3.35Å; E204-Q208 WeakPolarHBondContact O-CG 3.43Å; E204-Q208 PolarHBondContact O-N 3.26Å; E204-Q208 PolarHBondContact OE1-NE2 3.46Å
205I93.6Very high92.2Very high2 Ų235.5 Ų35.51%0.0117%0.168CC..Hα-helixtrans-55.9-53.2172.7-66.3162.6000109.9L150 V153 V154 L183 H201 L202 R207 Q208 L209L150-I205 HydrophobicContact CD2-CD1 4.08Å; V153-I205 HydrophobicContact CB-CD1 3.95Å; V153-I205 HydrophobicContact CG1-CD1 3.59Å; V153-I205 HydrophobicContact CG1-CG1 4.12Å; V154-I205 HydrophobicContact CB-CG1 4.44Å; V154-I205 HydrophobicContact CG2-CD1 3.97Å; V154-I205 HydrophobicContact CG2-CG1 3.56Å; L183-I205 HydrophobicContact CD1-CG2 3.92Å; L183-I205 HydrophobicContact CD2-CD1 4.35Å; H201-I205 VanDerWaalsContact O-CG1 3.31Å; H201-I205 WeakPolarHBondContact O-CG1 2.82Å; H201-I205 PolarHBondContact O-N 3.07Å; L202-I205 PolarHBondContact O-N 3.24Å; I205-R207 PolarHBondContact O-N 3.05Å; I205-Q208 PolarHBondContact O-N 2.97Å; I205-L209 HydrophobicContact CG2-CD1 4Å; I205-L209 HydrophobicContact CG2-CG 4.29Å; I205-L209 VanDerWaalsContact O-CG 3.29Å; I205-L209 WeakPolarHBondContact O-CG 3.46Å; I205-L209 PolarHBondContact O-N 2.88Å
206M94.6Very high92.2Very high4 Ų435 Ų352%0.0217%0.169CC..Hα-helixtrans-65.4-41-175.1-171.55668.500112.3L202 Y203 E204 Q208 L209 I210 L221 V230 I233 L234L202-M206 WeakPolarHBondContact O-CB 3.35Å; L202-M206 PolarHBondContact O-N 3.36Å; Y203-M206 PolarHBondContact O-N 3.37Å; E204-M206 PolarHBondContact O-N 3.07Å; M206-Q208 PolarHBondContact O-N 3.32Å; M206-L209 PolarHBondContact O-N 3.46Å; M206-I210 HydrophobicContact CG-CD1 4.23Å; M206-I210 WeakPolarHBondContact O-CG1 3.41Å; M206-I210 PolarHBondContact O-N 2.94Å; M206-L221 HydrophobicContact CE-CD2 4.16Å; M206-L221 HydrophobicContact SD-CD2 3.7Å; M206-V230 HydrophobicContact CE-CG2 3.95Å; M206-V230 HydrophobicContact CG-CG1 3.92Å; M206-V230 HydrophobicContact SD-CB 4.46Å; M206-V230 HydrophobicContact SD-CG1 3.83Å; M206-V230 HydrophobicContact SD-CG2 4.06Å; M206-I233 HydrophobicContact CB-CB 4.45Å; M206-I233 HydrophobicContact CB-CG2 3.62Å; M206-I233 HydrophobicContact CE-CD1 3.72Å; M206-I233 HydrophobicContact CG-CG2 4.19Å; M206-L234 HydrophobicContact CB-CD2 4.45Å; M206-L234 HydrophobicContact CG-CD2 4.2Å; M206-L234 HydrophobicContact CG-CG 4.37Å
207R91.7Very high92.2Very high58 Ų5830.9 Ų30.922%0.21915%0.148CC..Hα-helixtrans-57.5-48.7173.9176.3178.2160.3-89.5-10.5110.9Y203 E204 I205 L209 I210 L211Y203-R207 VanDerWaalsContact O-CB 3.29Å; Y203-R207 WeakPolarHBondContact O-CB 3.12Å; Y203-R207 PolarHBondContact O-N 3.11Å; E204-R207 VanDerWaalsContact CD-NH1 3.29Å; E204-R207 PolarHBondContact O-N 3.19Å; E204-R207 IonicContact OE1-NH1 3.53Å; E204-R207 PolarHBondContact OE1-NH1 3.18Å; E204-R207 IonicContact OE2-CZ 2.77Å; E204-R207 IonicContact OE2-NH1 2.97Å; E204-R207 PolarHBondContact OE2-NH1 3.48Å; I205-R207 PolarHBondContact O-N 3.05Å; R207-L209 PolarHBondContact O-N 3.31Å; R207-I210 PolarHBondContact O-N 3.47Å; R207-L211 HydrophobicContact CG-CD1 4.02Å; R207-L211 VanDerWaalsContact O-CG 3.28Å; R207-L211 WeakPolarHBondContact O-CG 3.18Å; R207-L211 PolarHBondContact O-N 3.42Å
208Q89.5Confident92.2Very high32 Ų3224.7 Ų24.715%0.1512%0.12CC..Hα-helixtrans-63.5-40.8178.8-68.1-68-10.200111.9V157 V161 E204 I205 M206 I210 L211 V212V157-Q208 HydrophobicContact CG1-CB 3.89Å; V161-Q208 HydrophobicContact CG2-CB 4.46Å; E204-Q208 HydrophobicContact CG-CG 4.43Å; E204-Q208 WeakPolarHBondContact O-CB 3.35Å; E204-Q208 WeakPolarHBondContact O-CG 3.43Å; E204-Q208 PolarHBondContact O-N 3.26Å; E204-Q208 PolarHBondContact OE1-NE2 3.46Å; I205-Q208 PolarHBondContact O-N 2.97Å; M206-Q208 PolarHBondContact O-N 3.32Å; Q208-I210 PolarHBondContact O-N 3.46Å; Q208-L211 CarbonylContact O-C 3.38Å; Q208-L211 PolarHBondContact O-N 2.96Å; Q208-V212 WeakPolarHBondContact O-CG2 3.28Å; Q208-V212 PolarHBondContact O-N 3.26Å
209L92.4Very high92.2Very high1 Ų128.1 Ų28.11%0.00514%0.135CC..Hα-helixtrans-62.8-39.7176.2-68.7-177.7000112.8V157 L170 L174 L180 L183 I205 M206 R207 L211 V212 L217 L221V157-L209 HydrophobicContact CG1-CD2 4.25Å; L170-L209 HydrophobicContact CD2-CD2 4.34Å; L174-L209 HydrophobicContact CD1-CD1 4.49Å; L174-L209 HydrophobicContact CD1-CD2 3.46Å; L174-L209 VanDerWaalsContact CD1-CD2 3.46Å; L180-L209 HydrophobicContact CD2-CD1 3.75Å; L183-L209 HydrophobicContact CD1-CD1 4.26Å; I205-L209 HydrophobicContact CG2-CD1 4Å; I205-L209 HydrophobicContact CG2-CG 4.29Å; I205-L209 VanDerWaalsContact O-CG 3.29Å; I205-L209 WeakPolarHBondContact O-CG 3.46Å; I205-L209 PolarHBondContact O-N 2.88Å; M206-L209 PolarHBondContact O-N 3.46Å; R207-L209 PolarHBondContact O-N 3.31Å; L209-L211 VanDerWaalsContact C-N 3.33Å; L209-V212 WeakPolarHBondContact O-CB 3.44Å; L209-V212 PolarHBondContact O-N 3.1Å; L209-L217 HydrophobicContact CB-CD2 4.45Å; L209-L217 VanDerWaalsContact O-CD2 3.31Å; L209-L217 WeakPolarHBondContact O-CD2 3.3Å; L209-L221 HydrophobicContact CB-CD1 4.44Å
210I91.2Very high92Very high0 Ų031.5 Ų31.50%015%0.153CC..Hα-helixtrans-66-38.8174.8-67.6167.6000110.7M206 R207 Q208 V212 N213 Y218 L221 V230 L234 I278 L283M206-I210 HydrophobicContact CG-CD1 4.23Å; M206-I210 WeakPolarHBondContact O-CG1 3.41Å; M206-I210 PolarHBondContact O-N 2.94Å; R207-I210 PolarHBondContact O-N 3.47Å; Q208-I210 PolarHBondContact O-N 3.46Å; I210-V212 VanDerWaalsContact C-N 3.26Å; I210-V212 PolarHBondContact O-N 3.48Å; I210-N213 PolarHBondContact O-N 2.91Å; I210-Y218 HydrophobicContact CG2-CE1 4.21Å; I210-Y218 WeakPolarHBondContact O-CE1 3.19Å; I210-Y218 PolarHBondContact O-OH 3.35Å; I210-L221 HydrophobicContact CG1-CD1 4.07Å; I210-V230 HydrophobicContact CD1-CG1 4.19Å; I210-L234 HydrophobicContact CD1-CD1 3.76Å; I210-L234 HydrophobicContact CD1-CD2 4.3Å; I210-L234 HydrophobicContact CD1-CG 4.49Å; I210-I278 HydrophobicContact CD1-CG2 4.23Å; I210-L283 HydrophobicContact CG2-CD1 4.07Å; I210-L283 HydrophobicContact CG2-CD2 4.1Å
211L88.8Confident92Very high45 Ų4528.5 Ų28.524%0.23614%0.139CC..Hα-helixtrans-73-12179.2-68.2173.6000114.2R207 Q208 L209 N213 C287 L294R207-L211 HydrophobicContact CG-CD1 4.02Å; R207-L211 VanDerWaalsContact O-CG 3.28Å; R207-L211 WeakPolarHBondContact O-CG 3.18Å; R207-L211 PolarHBondContact O-N 3.42Å; Q208-L211 CarbonylContact O-C 3.38Å; Q208-L211 PolarHBondContact O-N 2.96Å; L209-L211 VanDerWaalsContact C-N 3.33Å; L211-N213 PolarHBondContact O-N 3.5Å; L211-N213 VanDerWaalsContact O-N 3.11Å; L211-C287 HydrophobicContact CD2-CB 4.12Å; L211-L294 HydrophobicContact CD2-CD2 4.14Å
212V88.6Confident92.1Very high10 Ų1026.8 Ų26.86%0.06113%0.131CC..THydrogen-bonded Turntrans-55.7-26.2168.8172.40000111.4V161 R167 I171 Q208 L209 I210 K214 L217V161-V212 HydrophobicContact CG2-CG2 3.79Å; R167-V212 HydrophobicContact CG-CG1 4.2Å; I171-V212 HydrophobicContact CD1-CG1 3.6Å; I171-V212 HydrophobicContact CG1-CG1 3.79Å; Q208-V212 WeakPolarHBondContact O-CG2 3.28Å; Q208-V212 PolarHBondContact O-N 3.26Å; L209-V212 WeakPolarHBondContact O-CB 3.44Å; L209-V212 PolarHBondContact O-N 3.1Å; I210-V212 VanDerWaalsContact C-N 3.26Å; I210-V212 PolarHBondContact O-N 3.48Å; V212-K214 HydrophobicContact CG1-CB 4.1Å; V212-K214 PolarHBondContact O-N 3.37Å; V212-L217 HydrophobicContact CB-CD2 4.23Å; V212-L217 HydrophobicContact CG1-CD2 4.4Å
213N88.2Confident92Very high29 Ų2927.8 Ų27.816%0.15514%0.14CC..  trans55.253.3173.7-166.339.6000112.2I210 L211 Y218 A293 S295 Q296 L297I210-N213 PolarHBondContact O-N 2.91Å; L211-N213 PolarHBondContact O-N 3.5Å; L211-N213 VanDerWaalsContact O-N 3.11Å; N213-Y218 WeakPolarHBondContact CA-OH 3.49Å; N213-A293 VanDerWaalsContact CG-O 3.26Å; N213-A293 PolarHBondContact ND2-O 3.19Å; N213-A293 VanDerWaalsContact ND2-O 3.1Å; N213-S295 PolarHBondContact ND2-N 2.91Å; N213-S295 PolarHBondContact ND2-OG 3.43Å; N213-S295 VanDerWaalsContact ND2-OG 3.07Å; N213-Q296 WeakPolarHBondContact O-CB 3.42Å; N213-Q296 WeakPolarHBondContact O-CG 3.32Å; N213-Q296 WeakPolarHBondContact OD1-CA 3.29Å; N213-Q296 VanDerWaalsContact OD1-CB 3.24Å; N213-Q296 WeakPolarHBondContact OD1-CB 3.25Å; N213-Q296 PolarHBondContact OD1-N 3.43Å; N213-L297 PolarHBondContact OD1-N 3.39Å
214K90.2Very high91.7Very high75 Ų7531.3 Ų31.333%0.32616%0.159SC..  trans-122126.8177.1-169.579.5173.2-1620110.7E168 I171 V212 S216 L217 Y218E168-K214 IonicContact OE1-NZ 2.6Å; I171-K214 HydrophobicContact CD1-CB 4.21Å; I171-K214 HydrophobicContact CD1-CD 4.24Å; I171-K214 HydrophobicContact CD1-CG 4.15Å; I171-K214 HydrophobicContact CG2-CG 4.35Å; V212-K214 HydrophobicContact CG1-CB 4.1Å; V212-K214 PolarHBondContact O-N 3.37Å; K214-S216 WeakPolarHBondContact CG-OG 3.42Å; K214-S216 PolarHBondContact O-N 3.02Å; K214-L217 HydrophobicContact CB-CB 4.33Å; K214-L217 PolarHBondContact O-N 3.26Å; K214-Y218 PolarHBondContact O-N 3.07Å
215H91.6Very high91.7Very high54 Ų5434.4 Ų34.425%0.2518%0.177CC..Hα-helixtrans-58.8-45.2-176-17675000114.1L217 Y218 E219 F300H215-L217 VanDerWaalsContact C-N 3.25Å; H215-L217 PolarHBondContact O-N 2.9Å; H215-Y218 WeakPolarHBondContact O-CB 3.21Å; H215-Y218 PolarHBondContact O-N 3.41Å; H215-E219 IonicContact CE1-OE1 3.03Å; H215-E219 IonicContact NE2-OE1 2.65Å; H215-E219 PolarHBondContact NE2-OE1 3.45Å; H215-E219 PolarHBondContact O-N 2.93Å; H215-F300 AromaticContact CE1-CD2 3.81Å; H215-F300 AromaticContact ND1-CD2 3.91Å
216S91.5Very high91.7Very high41 Ų4134.5 Ų34.529%0.28718%0.178SC..Hα-helixtrans-62.5-30.4179.450.60000113.7E175 K214E175-S216 WeakPolarHBondContact OE1-CB 3.44Å; E175-S216 PolarHBondContact OE1-OG 2.59Å; K214-S216 WeakPolarHBondContact CG-OG 3.42Å; K214-S216 PolarHBondContact O-N 3.02Å
217L92.2Very high91.6Very high1 Ų134.3 Ų34.31%0.00518%0.177CC..Hα-helixtrans-72.3-35.9174.4-175.560.7000111.3L174 L180 L209 V212 K214 H215 N220 L221L174-L217 HydrophobicContact CD1-CD1 4.35Å; L180-L217 HydrophobicContact CD1-CD1 3.91Å; L209-L217 HydrophobicContact CB-CD2 4.45Å; L209-L217 VanDerWaalsContact O-CD2 3.31Å; L209-L217 WeakPolarHBondContact O-CD2 3.3Å; V212-L217 HydrophobicContact CB-CD2 4.23Å; V212-L217 HydrophobicContact CG1-CD2 4.4Å; K214-L217 HydrophobicContact CB-CB 4.33Å; K214-L217 PolarHBondContact O-N 3.26Å; H215-L217 VanDerWaalsContact C-N 3.25Å; H215-L217 PolarHBondContact O-N 2.9Å; L217-N220 PolarHBondContact O-N 3.33Å; L217-L221 HydrophobicContact CD1-CD1 4.4Å; L217-L221 HydrophobicContact CD1-CG 4.27Å; L217-L221 HydrophobicContact CD2-CD1 4.25Å; L217-L221 HydrophobicContact CG-CD1 3.83Å; L217-L221 HydrophobicContact CG-CG 4.13Å; L217-L221 WeakPolarHBondContact O-CB 3.24Å; L217-L221 WeakPolarHBondContact O-CG 3.42Å; L217-L221 PolarHBondContact O-N 2.97Å
218Y93.8Very high91.7Very high0 Ų032.9 Ų32.90%017%0.174CC..Hα-helixtrans-66-35.6176.3-64.6-33.7000113.4I210 N213 K214 H215 N220 L221 F222 Q296 L297 F300I210-Y218 HydrophobicContact CG2-CE1 4.21Å; I210-Y218 WeakPolarHBondContact O-CE1 3.19Å; I210-Y218 PolarHBondContact O-OH 3.35Å; N213-Y218 WeakPolarHBondContact CA-OH 3.49Å; K214-Y218 PolarHBondContact O-N 3.07Å; H215-Y218 WeakPolarHBondContact O-CB 3.21Å; H215-Y218 PolarHBondContact O-N 3.41Å; Y218-N220 PolarHBondContact O-N 2.68Å; Y218-L221 HydrophobicContact CD1-CD1 4.46Å; Y218-L221 PolarHBondContact O-N 2.81Å; Y218-F222 HydrophobicContact CD1-CD2 4.18Å; Y218-F222 AromaticContact CD1-CE2 3.38Å; Y218-F222 HydrophobicContact CD1-CE2 3.38Å; Y218-F222 AromaticContact CD1-CZ 3.75Å; Y218-F222 HydrophobicContact CD1-CZ 3.75Å; Y218-F222 HydrophobicContact CD2-CE2 4.49Å; Y218-F222 HydrophobicContact CE1-CE2 4.05Å; Y218-F222 HydrophobicContact CE1-CZ 4.13Å; Y218-F222 HydrophobicContact CG-CD2 4.16Å; Y218-F222 AromaticContact CG-CE2 3.64Å; Y218-F222 HydrophobicContact CG-CE2 3.64Å; Y218-F222 HydrophobicContact CG-CZ 4.46Å; Y218-F222 WeakPolarHBondContact O-CB 3.4Å; Y218-F222 PolarHBondContact O-N 3.16Å; Y218-Q296 HydrophobicContact CD2-CB 4.48Å; Y218-Q296 HydrophobicContact CE2-CB 3.96Å; Y218-L297 HydrophobicContact CD2-CD1 4.49Å; Y218-L297 HydrophobicContact CE1-CD1 4.43Å; Y218-L297 HydrophobicContact CE2-CB 3.8Å; Y218-L297 HydrophobicContact CE2-CD1 4.23Å; Y218-F300 HydrophobicContact CD2-CB 4.4Å
219E92.2Very high92Very high78 Ų7832.7 Ų32.736%0.36417%0.174SC..Hα-helixtrans-55-39.8172.3-68.3-64.7146.300111.8H215 A223 F300H215-E219 IonicContact CE1-OE1 3.03Å; H215-E219 IonicContact NE2-OE1 2.65Å; H215-E219 PolarHBondContact NE2-OE1 3.45Å; H215-E219 PolarHBondContact O-N 2.93Å; E219-A223 PolarHBondContact O-N 3.48Å; E219-F300 HydrophobicContact CG-CE2 4.45Å; E219-F300 VanDerWaalsContact OE1-CE2 3.31Å; E219-F300 WeakPolarHBondContact OE1-CE2 3.37Å
220N91.7Very high92.2Very high72 Ų7232.7 Ų32.739%0.38517%0.173SC..Hα-helixtrans-78.8-50.4176.6-64-27.6000111.5L180 L217 Y218 F222 A223 M226L180-N220 HydrophobicContact CD1-CB 3.87Å; L217-N220 PolarHBondContact O-N 3.33Å; Y218-N220 PolarHBondContact O-N 2.68Å; N220-F222 VanDerWaalsContact C-N 3.27Å; N220-F222 PolarHBondContact O-N 3.46Å; N220-A223 WeakPolarHBondContact O-CB 3.33Å; N220-A223 PolarHBondContact O-N 3.11Å; N220-M226 WeakPolarHBondContact O-CE 3.33Å
221L94.2Very high92.4Very high0 Ų032.7 Ų32.70%017%0.173CC..Hα-helixtrans-58.1-37.6-177.8-74-179.9000113.3L180 M206 L209 I210 L217 Y218 M226 V230L180-L221 HydrophobicContact CD1-CD2 4.13Å; L180-L221 HydrophobicContact CD2-CD2 3.99Å; M206-L221 HydrophobicContact CE-CD2 4.16Å; M206-L221 HydrophobicContact SD-CD2 3.7Å; L209-L221 HydrophobicContact CB-CD1 4.44Å; I210-L221 HydrophobicContact CG1-CD1 4.07Å; L217-L221 HydrophobicContact CD1-CD1 4.4Å; L217-L221 HydrophobicContact CD1-CG 4.27Å; L217-L221 HydrophobicContact CD2-CD1 4.25Å; L217-L221 HydrophobicContact CG-CD1 3.83Å; L217-L221 HydrophobicContact CG-CG 4.13Å; L217-L221 WeakPolarHBondContact O-CB 3.24Å; L217-L221 WeakPolarHBondContact O-CG 3.42Å; L217-L221 PolarHBondContact O-N 2.97Å; Y218-L221 HydrophobicContact CD1-CD1 4.46Å; Y218-L221 PolarHBondContact O-N 2.81Å; L221-M226 HydrophobicContact CB-CE 4.4Å; L221-M226 HydrophobicContact CD2-CE 3.81Å; L221-V230 HydrophobicContact CD2-CG2 4.33Å; L221-V230 WeakPolarHBondContact O-CG2 3.39Å
222F95.1Very high92.7Very high0 Ų030.5 Ų30.50%016%0.162CC..THydrogen-bonded Turntrans-105.915.2-174.3-51.8-35.9000113.3Y218 N220 L227 Q271 V275 I278 L297 F300Y218-F222 HydrophobicContact CD1-CD2 4.18Å; Y218-F222 AromaticContact CD1-CE2 3.38Å; Y218-F222 HydrophobicContact CD1-CE2 3.38Å; Y218-F222 AromaticContact CD1-CZ 3.75Å; Y218-F222 HydrophobicContact CD1-CZ 3.75Å; Y218-F222 HydrophobicContact CD2-CE2 4.49Å; Y218-F222 HydrophobicContact CE1-CE2 4.05Å; Y218-F222 HydrophobicContact CE1-CZ 4.13Å; Y218-F222 HydrophobicContact CG-CD2 4.16Å; Y218-F222 AromaticContact CG-CE2 3.64Å; Y218-F222 HydrophobicContact CG-CE2 3.64Å; Y218-F222 HydrophobicContact CG-CZ 4.46Å; Y218-F222 WeakPolarHBondContact O-CB 3.4Å; Y218-F222 PolarHBondContact O-N 3.16Å; N220-F222 VanDerWaalsContact C-N 3.27Å; N220-F222 PolarHBondContact O-N 3.46Å; F222-L227 HydrophobicContact CB-CD1 4.13Å; F222-L227 HydrophobicContact CD1-CD1 3.66Å; F222-L227 HydrophobicContact CG-CD1 4.23Å; F222-Q271 PolarHBondContact O-NE2 2.92Å; F222-V275 HydrophobicContact CB-CG2 3.68Å; F222-V275 HydrophobicContact CD1-CG2 4.09Å; F222-V275 HydrophobicContact CD2-CB 4.42Å; F222-V275 HydrophobicContact CD2-CG1 3.86Å; F222-V275 HydrophobicContact CD2-CG2 3.58Å; F222-V275 HydrophobicContact CE2-CG1 3.74Å; F222-V275 HydrophobicContact CE2-CG2 4.2Å; F222-V275 HydrophobicContact CG-CG2 3.51Å; F222-V275 HydrophobicContact CZ-CG1 4.33Å; F222-I278 HydrophobicContact CD1-CD1 4.08Å; F222-I278 HydrophobicContact CE1-CD1 3.66Å; F222-I278 HydrophobicContact CZ-CD1 4.45Å; F222-L297 HydrophobicContact CE2-CD1 3.54Å; F222-L297 HydrophobicContact CZ-CD1 3.96Å; F222-F300 HydrophobicContact CB-CE1 4.35Å; F222-F300 HydrophobicContact CB-CZ 4.15Å; F222-F300 HydrophobicContact CD2-CD1 4.24Å; F222-F300 AromaticContact CD2-CE1 3.97Å; F222-F300 HydrophobicContact CD2-CE1 3.97Å; F222-F300 HydrophobicContact CD2-CZ 4.18Å
223A93.2Very high93Very high26 Ų2630.1 Ų30.122%0.21516%0.16CC..SBendtrans-57.6147.5167.400000111E219 N220 D225 M226 L227E219-A223 PolarHBondContact O-N 3.48Å; N220-A223 WeakPolarHBondContact O-CB 3.33Å; N220-A223 PolarHBondContact O-N 3.11Å; A223-D225 WeakPolarHBondContact CB-OD1 3.35Å; A223-D225 PolarHBondContact O-N 3.46Å; A223-M226 PolarHBondContact O-N 2.99Å; A223-L227 VanDerWaalsContact O-CB 3.29Å; A223-L227 WeakPolarHBondContact O-CB 3.44Å; A223-L227 PolarHBondContact O-N 3.39Å
224D89Confident93.3Very high81 Ų8128.9 Ų28.943%0.43315%0.153SC..THydrogen-bonded Turntrans-60.8-31.6-170.2-65.6-49.1000114.4T267D224-T267 VanDerWaalsContact OD1-CG2 3.23Å; D224-T267 WeakPolarHBondContact OD1-CG2 3.4Å; D224-T267 WeakPolarHBondContact OD2-CG2 3.39Å
225D91.4Very high93.5Very high113 Ų11325.5 Ų25.560%0.60414%0.139SC*.THydrogen-bonded Turntrans-77.8-20.4179.363.3-34.4000113.1H181 A223H181-D225 IonicContact CE1-OD2 3.43Å; A223-D225 WeakPolarHBondContact CB-OD1 3.35Å; A223-D225 PolarHBondContact O-N 3.46Å
226M93.7Very high93.6Very high4 Ų423.3 Ų23.32%0.0213%0.128CC..THydrogen-bonded Turntrans-111.7-26.6-176.7-157.1168.173.600114.1L180 V184 N220 L221 A223 L228 D229 V230L180-M226 HydrophobicContact CB-CE 4.12Å; L180-M226 HydrophobicContact CB-SD 4.06Å; L180-M226 HydrophobicContact CD1-CE 4.29Å; V184-M226 HydrophobicContact CG2-CG 3.82Å; V184-M226 HydrophobicContact CG2-SD 4.02Å; N220-M226 WeakPolarHBondContact O-CE 3.33Å; L221-M226 HydrophobicContact CB-CE 4.4Å; L221-M226 HydrophobicContact CD2-CE 3.81Å; A223-M226 PolarHBondContact O-N 2.99Å; M226-L228 VanDerWaalsContact C-N 3.34Å; M226-L228 PolarHBondContact O-N 3.42Å; M226-D229 WeakPolarHBondContact O-CA 3.47Å; M226-D229 WeakPolarHBondContact O-CB 3.19Å; M226-D229 PolarHBondContact O-N 3.42Å; M226-V230 HydrophobicContact CE-CG2 4.24Å; M226-V230 HydrophobicContact CG-CG2 4.21Å; M226-V230 PolarHBondContact O-N 3.21Å
227L94.4Very high93.4Very high0 Ų023.5 Ų23.50%013%0.126CC..Hα-helixtrans-56.1-41.2-171.4176.857.1000113.9F222 A223 D229 V230 I231 Q271 R274 V275 I278F222-L227 HydrophobicContact CB-CD1 4.13Å; F222-L227 HydrophobicContact CD1-CD1 3.66Å; F222-L227 HydrophobicContact CG-CD1 4.23Å; A223-L227 VanDerWaalsContact O-CB 3.29Å; A223-L227 WeakPolarHBondContact O-CB 3.44Å; A223-L227 PolarHBondContact O-N 3.39Å; L227-D229 VanDerWaalsContact C-N 3.32Å; L227-V230 PolarHBondContact O-N 2.87Å; L227-I231 HydrophobicContact CD1-CD1 4.12Å; L227-I231 HydrophobicContact CD1-CG1 4.48Å; L227-I231 HydrophobicContact CG-CD1 4.24Å; L227-I231 VanDerWaalsContact O-CG1 3.28Å; L227-I231 WeakPolarHBondContact O-CG1 3.45Å; L227-I231 PolarHBondContact O-N 2.91Å; L227-Q271 HydrophobicContact CD2-CG 4.22Å; L227-R274 HydrophobicContact CD1-CB 4.42Å; L227-R274 HydrophobicContact CD2-CB 3.63Å; L227-R274 HydrophobicContact CD2-CG 4.31Å; L227-R274 HydrophobicContact CG-CB 4.16Å; L227-V275 HydrophobicContact CD1-CG2 4.26Å; L227-I278 HydrophobicContact CD1-CD1 3.68Å
228L93.5Very high93.2Very high29 Ų2927.1 Ų27.115%0.15215%0.149CC..Hα-helixtrans-70.9-28.4177.5-79.8174.6000112.8M226 G232 R245M226-L228 VanDerWaalsContact C-N 3.34Å; M226-L228 PolarHBondContact O-N 3.42Å; L228-G232 PolarHBondContact O-N 3.45Å; L228-R245 WeakPolarHBondContact O-CD 3.48Å
229D95.8Very high92.8Very high28 Ų2832.6 Ų32.615%0.1519%0.188CC..Hα-helixtrans-75.3-39174.4-67.9-41.8000111V184 H188 M226 L227 I231 G232 I233V184-D229 HydrophobicContact CG1-CB 3.69Å; V184-D229 HydrophobicContact CG2-CB 4.19Å; H188-D229 IonicContact CD2-OD1 3.31Å; H188-D229 IonicContact CE1-OD1 2.7Å; H188-D229 IonicContact CE1-OD2 2.62Å; H188-D229 VanDerWaalsContact NE2-CG 3.27Å; H188-D229 IonicContact NE2-OD1 3.86Å; H188-D229 PolarHBondContact NE2-OD1 3.17Å; H188-D229 IonicContact NE2-OD2 2.62Å; M226-D229 WeakPolarHBondContact O-CA 3.47Å; M226-D229 WeakPolarHBondContact O-CB 3.19Å; M226-D229 PolarHBondContact O-N 3.42Å; L227-D229 VanDerWaalsContact C-N 3.32Å; D229-I231 VanDerWaalsContact C-N 3.33Å; D229-I231 PolarHBondContact O-N 2.96Å; D229-G232 CarbonylContact O-C 3.53Å; D229-G232 WeakPolarHBondContact O-CA 3.34Å; D229-G232 PolarHBondContact O-N 3.01Å; D229-I233 WeakPolarHBondContact O-CG1 3.45Å; D229-I233 PolarHBondContact O-N 3.04Å
230V95.7Very high92.4Very high0 Ų030.7 Ų30.70%019%0.189CC..Hα-helixtrans-56.4-48.4170171.30000110.8M206 I210 L221 M226 L227 G232 I233 L234M206-V230 HydrophobicContact CE-CG2 3.95Å; M206-V230 HydrophobicContact CG-CG1 3.92Å; M206-V230 HydrophobicContact SD-CB 4.46Å; M206-V230 HydrophobicContact SD-CG1 3.83Å; M206-V230 HydrophobicContact SD-CG2 4.06Å; I210-V230 HydrophobicContact CD1-CG1 4.19Å; L221-V230 HydrophobicContact CD2-CG2 4.33Å; L221-V230 WeakPolarHBondContact O-CG2 3.39Å; M226-V230 HydrophobicContact CE-CG2 4.24Å; M226-V230 HydrophobicContact CG-CG2 4.21Å; M226-V230 PolarHBondContact O-N 3.21Å; L227-V230 PolarHBondContact O-N 2.87Å; V230-G232 VanDerWaalsContact C-N 3.25Å; V230-G232 PolarHBondContact O-N 3.38Å; V230-I233 PolarHBondContact O-N 3.45Å; V230-L234 HydrophobicContact CG1-CD1 4.27Å; V230-L234 WeakPolarHBondContact O-CG 3.44Å; V230-L234 PolarHBondContact O-N 2.85Å
231I95Very high92.3Very high0 Ų033 Ų330%019%0.192CC..Hα-helixtrans-62.7-36.5175.5-66166.6000110.9L227 D229 L234 E235 H244 R245 L248 R274 I278L227-I231 HydrophobicContact CD1-CD1 4.12Å; L227-I231 HydrophobicContact CD1-CG1 4.48Å; L227-I231 HydrophobicContact CG-CD1 4.24Å; L227-I231 VanDerWaalsContact O-CG1 3.28Å; L227-I231 WeakPolarHBondContact O-CG1 3.45Å; L227-I231 PolarHBondContact O-N 2.91Å; D229-I231 VanDerWaalsContact C-N 3.33Å; D229-I231 PolarHBondContact O-N 2.96Å; I231-L234 PolarHBondContact O-N 3.29Å; I231-E235 WeakPolarHBondContact O-CG 3.43Å; I231-E235 PolarHBondContact O-N 2.86Å; I231-E235 VanDerWaalsContact O-N 3.16Å; I231-H244 HydrophobicContact CG2-CB 3.51Å; I231-R245 HydrophobicContact CG2-CG 4.13Å; I231-L248 HydrophobicContact CD1-CD1 3.58Å; I231-L248 HydrophobicContact CG2-CD1 4Å; I231-R274 HydrophobicContact CD1-CB 4.17Å; I231-R274 HydrophobicContact CD1-CG 4.47Å; I231-I278 HydrophobicContact CD1-CD1 4.2Å; I231-I278 HydrophobicContact CD1-CG1 4.23Å; I231-I278 HydrophobicContact CG1-CD1 3.74Å; I231-I278 HydrophobicContact CG1-CG1 3.78Å
232G94.7Very high92Very high0 Ų036.4 Ų36.40%021%0.213CC..Hα-helixtrans-60-43.9174.200000113.2F187 L228 D229 V230 L234 E235 Y236 R245F187-G232 VanDerWaalsContact CZ-C 3.45Å; L228-G232 PolarHBondContact O-N 3.45Å; D229-G232 CarbonylContact O-C 3.53Å; D229-G232 WeakPolarHBondContact O-CA 3.34Å; D229-G232 PolarHBondContact O-N 3.01Å; V230-G232 VanDerWaalsContact C-N 3.25Å; V230-G232 PolarHBondContact O-N 3.38Å; G232-L234 VanDerWaalsContact C-N 3.35Å; G232-E235 WeakPolarHBondContact O-CB 3.43Å; G232-E235 WeakPolarHBondContact O-CG 3.38Å; G232-E235 PolarHBondContact O-N 3.49Å; G232-Y236 VanDerWaalsContact O-CD2 3.27Å; G232-Y236 WeakPolarHBondContact O-CD2 3.34Å; G232-Y236 WeakPolarHBondContact O-CE2 3.42Å; G232-R245 VanDerWaalsContact CA-CD 3.43Å
233I95.8Very high91.8Very high2 Ų243 Ų431%0.0124%0.242CC..Hα-helixtrans-62.9-43.4174.5-67161.9000110.3V184 F187 L202 M206 D229 V230 E235 Y236V184-I233 HydrophobicContact CG2-CD1 4.47Å; F187-I233 HydrophobicContact CB-CD1 4.02Å; F187-I233 HydrophobicContact CB-CG1 3.83Å; F187-I233 HydrophobicContact CD1-CD1 4.36Å; F187-I233 HydrophobicContact CD1-CG1 3.81Å; F187-I233 HydrophobicContact CD2-CB 4.34Å; F187-I233 HydrophobicContact CD2-CD1 4.47Å; F187-I233 HydrophobicContact CD2-CG1 3.39Å; F187-I233 HydrophobicContact CE1-CG1 4.24Å; F187-I233 HydrophobicContact CE2-CB 4.47Å; F187-I233 HydrophobicContact CE2-CG1 3.85Å; F187-I233 HydrophobicContact CG-CD1 4.03Å; F187-I233 HydrophobicContact CG-CG1 3.37Å; F187-I233 HydrophobicContact CZ-CG1 4.26Å; L202-I233 VanDerWaalsContact C-CG2 3.46Å; L202-I233 HydrophobicContact CB-CG2 4.02Å; L202-I233 VanDerWaalsContact O-CG2 3.25Å; L202-I233 WeakPolarHBondContact O-CG2 3.29Å; M206-I233 HydrophobicContact CB-CB 4.45Å; M206-I233 HydrophobicContact CB-CG2 3.62Å; M206-I233 HydrophobicContact CE-CD1 3.72Å; M206-I233 HydrophobicContact CG-CG2 4.19Å; D229-I233 WeakPolarHBondContact O-CG1 3.45Å; D229-I233 PolarHBondContact O-N 3.04Å; V230-I233 PolarHBondContact O-N 3.45Å; I233-E235 PolarHBondContact O-N 3.44Å; I233-Y236 PolarHBondContact O-N 3.42Å
234L94.4Very high91.8Very high3 Ų342.2 Ų42.22%0.01623%0.233CC..Hα-helixtrans-66.5-13.7178.8-65.9174.3000114.1Y203 M206 I210 V230 I231 G232 Y236 I278 C282Y203-L234 HydrophobicContact CD2-CD2 4.38Å; Y203-L234 HydrophobicContact CE2-CD2 4.23Å; Y203-L234 WeakPolarHBondContact CE2-O 3.38Å; M206-L234 HydrophobicContact CB-CD2 4.45Å; M206-L234 HydrophobicContact CG-CD2 4.2Å; M206-L234 HydrophobicContact CG-CG 4.37Å; I210-L234 HydrophobicContact CD1-CD1 3.76Å; I210-L234 HydrophobicContact CD1-CD2 4.3Å; I210-L234 HydrophobicContact CD1-CG 4.49Å; V230-L234 HydrophobicContact CG1-CD1 4.27Å; V230-L234 WeakPolarHBondContact O-CG 3.44Å; V230-L234 PolarHBondContact O-N 2.85Å; I231-L234 PolarHBondContact O-N 3.29Å; G232-L234 VanDerWaalsContact C-N 3.35Å; L234-Y236 PolarHBondContact O-N 3.04Å; L234-I278 HydrophobicContact CD1-CG1 4.39Å; L234-I278 HydrophobicContact CD1-CG2 4.03Å; L234-C282 HydrophobicContact CB-CB 4.34Å; L234-C282 HydrophobicContact CD1-CB 3.94Å
235E94.4Very high92Very high4 Ų439.7 Ų39.72%0.01922%0.218CC..THydrogen-bonded Turntrans-64.3-28.1173-61.9-170162.900112.6I231 G232 I233 N237 R241 T242 H244 R245I231-E235 WeakPolarHBondContact O-CG 3.43Å; I231-E235 PolarHBondContact O-N 2.86Å; I231-E235 VanDerWaalsContact O-N 3.16Å; G232-E235 WeakPolarHBondContact O-CB 3.43Å; G232-E235 WeakPolarHBondContact O-CG 3.38Å; G232-E235 PolarHBondContact O-N 3.49Å; I233-E235 PolarHBondContact O-N 3.44Å; E235-N237 PolarHBondContact O-N 3.36Å; E235-R241 HydrophobicContact CB-CG 4.31Å; E235-R241 WeakPolarHBondContact O-CA 3.35Å; E235-R241 WeakPolarHBondContact O-CG 3.3Å; E235-R241 IonicContact OE2-CZ 3.67Å; E235-R241 IonicContact OE2-NE 2.73Å; E235-R241 IonicContact OE2-NH2 2.85Å; E235-R241 PolarHBondContact OE2-NH2 3.21Å; E235-T242 WeakPolarHBondContact CA-O 3.28Å; E235-T242 WeakPolarHBondContact CB-O 3.48Å; E235-T242 WeakPolarHBondContact CG-O 3.13Å; E235-T242 PolarHBondContact O-N 3.42Å; E235-H244 HydrophobicContact CG-CB 4.18Å; E235-H244 PolarHBondContact OE1-N 2.88Å; E235-R245 WeakPolarHBondContact OE1-CB 3.48Å; E235-R245 WeakPolarHBondContact OE1-CG 3.46Å; E235-R245 PolarHBondContact OE1-N 3.49Å; E235-R245 IonicContact OE1-NE 3.75Å; E235-R245 PolarHBondContact OE1-NE 3.33Å; E235-R245 IonicContact OE2-CZ 3.89Å; E235-R245 IonicContact OE2-NE 3.61Å; E235-R245 IonicContact OE2-NH2 3.65Å; E235-R245 PolarHBondContact OE2-NH2 3.22Å
236Y93.1Very high92Very high8 Ų837.3 Ų37.33%0.03121%0.205CC..EExtended strand (participates in β ladder)trans-9648.5-168.7-65.8-88000113F187 E191 M196 L199 H200 Y203 G232 I233 L234 R241F187-Y236 HydrophobicContact CE2-CD2 4.12Å; F187-Y236 AromaticContact CE2-CE2 3.85Å; F187-Y236 HydrophobicContact CE2-CE2 3.85Å; F187-Y236 HydrophobicContact CZ-CE2 4.33Å; E191-Y236 PolarHBondContact OE1-OH 2.79Å; M196-Y236 HydrophobicContact CE-CD1 4.08Å; M196-Y236 HydrophobicContact SD-CD1 4.32Å; M196-Y236 HydrophobicContact SD-CE1 4.31Å; L199-Y236 HydrophobicContact CB-CD1 3.99Å; L199-Y236 HydrophobicContact CB-CG 3.95Å; L199-Y236 HydrophobicContact CD1-CD1 3.85Å; L199-Y236 HydrophobicContact CD1-CE1 3.58Å; L199-Y236 HydrophobicContact CD1-CG 4.4Å; L199-Y236 HydrophobicContact CD2-CD2 4.15Å; L199-Y236 HydrophobicContact CD2-CE2 4.15Å; L199-Y236 HydrophobicContact CD2-CG 4.38Å; L199-Y236 HydrophobicContact CG-CD1 4.37Å; L199-Y236 HydrophobicContact CG-CE1 4.46Å; L199-Y236 HydrophobicContact CG-CG 4.47Å; H200-Y236 PolarHBondContact CD2-O 3.19Å; Y203-Y236 VanDerWaalsContact CB-O 3.32Å; Y203-Y236 WeakPolarHBondContact CB-O 3.24Å; G232-Y236 VanDerWaalsContact O-CD2 3.27Å; G232-Y236 WeakPolarHBondContact O-CD2 3.34Å; G232-Y236 WeakPolarHBondContact O-CE2 3.42Å; I233-Y236 PolarHBondContact O-N 3.42Å; L234-Y236 PolarHBondContact O-N 3.04Å; Y236-R241 HydrophobicContact CD1-CG 4.45Å; Y236-R241 VanDerWaalsContact CZ-CZ 3.45Å; Y236-R241 PolarHBondContact OH-NH1 2.93Å; Y236-R241 PolarHBondContact OH-NH2 3.21Å
237N88.9Confident91.9Very high44 Ų4439.1 Ų39.124%0.23521%0.213CC..EExtended strand (participates in β ladder)trans-60.6132.1171.5-179.3-18.1000109.8Y203 E235 S239 G240Y203-N237 HydrophobicContact CD2-CB 4.19Å; Y203-N237 HydrophobicContact CE1-CB 4.23Å; Y203-N237 HydrophobicContact CE2-CB 3.66Å; Y203-N237 PolarHBondContact OH-ND2 3.35Å; E235-N237 PolarHBondContact O-N 3.36Å; N237-S239 PolarHBondContact O-N 3.12Å; N237-S239 WeakPolarHBondContact OD1-CB 3.38Å; N237-S239 PolarHBondContact OD1-N 3.03Å; N237-S239 PolarHBondContact OD1-OG 2.94Å; N237-G240 CarbonylContact O-C 3.56Å; N237-G240 PolarHBondContact O-N 3.37Å
238P86.9Confident91.7Very high77 Ų7739.9 Ų39.950%0.522%0.217SC..THydrogen-bonded Turntrans-52-25.2174.3-28.534.2000114.9H200 Y203 G240H200-P238 HydrophobicContact CB-CG 4.19Å; Y203-P238 VanDerWaalsContact CD1-CD 3.45Å; Y203-P238 HydrophobicContact CD1-CG 4.39Å; P238-G240 VanDerWaalsContact C-N 3.31Å
239S85.6Confident91.5Very high116 Ų11645.4 Ų45.481%0.81124%0.236SC*.THydrogen-bonded Turntrans-77.2-14.1177.5-52.50000113.9N237N237-S239 PolarHBondContact O-N 3.12Å; N237-S239 WeakPolarHBondContact OD1-CB 3.38Å; N237-S239 PolarHBondContact OD1-N 3.03Å; N237-S239 PolarHBondContact OD1-OG 2.94Å
240G84.7Confident91Very high37 Ų3749.7 Ų49.738%0.38126%0.259SS..EExtended strand (participates in β ladder)trans149.6146.8-177.800000112.1N237 P238N237-G240 CarbonylContact O-C 3.56Å; N237-G240 PolarHBondContact O-N 3.37Å; P238-G240 VanDerWaalsContact C-N 3.31Å
241R88.9Confident90.3Very high121 Ų12155.7 Ų55.746%0.45729%0.285SS..EExtended strand (participates in β ladder)trans-82.2128.1179.7-174-176.7176.2173.36.7111.9E191 E235 Y236E191-R241 IonicContact OE1-NH2 2.64Å; E235-R241 HydrophobicContact CB-CG 4.31Å; E235-R241 WeakPolarHBondContact O-CA 3.35Å; E235-R241 WeakPolarHBondContact O-CG 3.3Å; E235-R241 IonicContact OE2-CZ 3.67Å; E235-R241 IonicContact OE2-NE 2.73Å; E235-R241 IonicContact OE2-NH2 2.85Å; E235-R241 PolarHBondContact OE2-NH2 3.21Å; Y236-R241 HydrophobicContact CD1-CG 4.45Å; Y236-R241 VanDerWaalsContact CZ-CZ 3.45Å; Y236-R241 PolarHBondContact OH-NH1 2.93Å; Y236-R241 PolarHBondContact OH-NH2 3.21Å
242T88.7Confident89.6Confident72 Ų7256.4 Ų56.444%0.44229%0.291SS..  trans-113.8124.9174.5-35.40000109.8E235 H244E235-T242 WeakPolarHBondContact CA-O 3.28Å; E235-T242 WeakPolarHBondContact CB-O 3.48Å; E235-T242 WeakPolarHBondContact CG-O 3.13Å; E235-T242 PolarHBondContact O-N 3.42Å; T242-H244 VanDerWaalsContact C-N 3.28Å; T242-H244 PolarHBondContact O-N 2.96Å
243K90.6Very high89Confident137 Ų13759.8 Ų59.860%0.59631%0.311SS*.  trans-81.765.2-173.7-63.2-174.8178.2-177.80112.9D246 F247K243-D246 HydrophobicContact CB-CB 3.99Å; K243-D246 PolarHBondContact O-N 3.43Å; K243-F247 PolarHBondContact O-N 3.43Å
244H92.8Very high88.5Confident10 Ų1062 Ų625%0.04632%0.321CS..Hα-helixtrans-61.4-42.3-177.7-62.4-58.2000113.3I231 E235 T242 D246 F247 L248 Y277I231-H244 HydrophobicContact CG2-CB 3.51Å; E235-H244 HydrophobicContact CG-CB 4.18Å; E235-H244 PolarHBondContact OE1-N 2.88Å; T242-H244 VanDerWaalsContact C-N 3.28Å; T242-H244 PolarHBondContact O-N 2.96Å; H244-D246 VanDerWaalsContact C-N 3.34Å; H244-D246 PolarHBondContact O-N 3.15Å; H244-F247 PolarHBondContact O-N 3.24Å; H244-L248 WeakPolarHBondContact O-CG 3.5Å; H244-L248 PolarHBondContact O-N 3.48Å; H244-Y277 HydrophobicContact CB-CE1 3.91Å; H244-Y277 AromaticContact CG-CE1 3.89Å; H244-Y277 AromaticContact ND1-CE1 3.45Å; H244-Y277 WeakPolarHBondContact ND1-CE1 3.4Å; H244-Y277 AromaticContact ND1-CZ 3.64Å; H244-Y277 PolarHBondContact ND1-OH 3.47Å
245R93.9Very high88Confident28 Ų2864.5 Ų64.511%0.10633%0.332CS..Hα-helixtrans-64.2-37.1178.3-67.2178.3-67-179.6-2.6112.1E191 L228 I231 G232 E235 L248 R249E191-R245 IonicContact OE1-CZ 2.7Å; E191-R245 IonicContact OE1-NH1 3.47Å; E191-R245 PolarHBondContact OE1-NH1 3.29Å; E191-R245 IonicContact OE1-NH2 2.7Å; E191-R245 PolarHBondContact OE1-NH2 2.91Å; E191-R245 IonicContact OE2-CZ 3.54Å; E191-R245 IonicContact OE2-NH1 2.8Å; E191-R245 PolarHBondContact OE2-NH1 2.9Å; E191-R245 IonicContact OE2-NH2 2.81Å; L228-R245 WeakPolarHBondContact O-CD 3.48Å; I231-R245 HydrophobicContact CG2-CG 4.13Å; G232-R245 VanDerWaalsContact CA-CD 3.43Å; E235-R245 WeakPolarHBondContact OE1-CB 3.48Å; E235-R245 WeakPolarHBondContact OE1-CG 3.46Å; E235-R245 PolarHBondContact OE1-N 3.49Å; E235-R245 IonicContact OE1-NE 3.75Å; E235-R245 PolarHBondContact OE1-NE 3.33Å; E235-R245 IonicContact OE2-CZ 3.89Å; E235-R245 IonicContact OE2-NE 3.61Å; E235-R245 IonicContact OE2-NH2 3.65Å; E235-R245 PolarHBondContact OE2-NH2 3.22Å; R245-L248 PolarHBondContact O-N 3.19Å; R245-R249 VanDerWaalsContact O-CB 3.26Å; R245-R249 WeakPolarHBondContact O-CB 3.23Å; R245-R249 VanDerWaalsContact O-CG 3.3Å; R245-R249 WeakPolarHBondContact O-CG 3.35Å; R245-R249 PolarHBondContact O-N 2.91Å
246D90.5Very high87.7Confident63 Ų6368.5 Ų68.534%0.33735%0.351SS..Hα-helixtrans-63.9-45.2176-179.258.3000111K243 H244 R249 N250K243-D246 HydrophobicContact CB-CB 3.99Å; K243-D246 PolarHBondContact O-N 3.43Å; H244-D246 VanDerWaalsContact C-N 3.34Å; H244-D246 PolarHBondContact O-N 3.15Å; D246-R249 PolarHBondContact O-N 3.39Å; D246-N250 VanDerWaalsContact O-CB 3.32Å; D246-N250 WeakPolarHBondContact O-CB 3.49Å; D246-N250 PolarHBondContact O-N 3.41Å; D246-N250 PolarHBondContact OD1-ND2 3.41Å
247F91.1Very high87.3Confident42 Ų4268.6 Ų68.618%0.18435%0.352CS..Iπ-helixtrans-59.1-50.6174.7178.3-93.9000111.3K243 H244 R249 K251 A252 Y277K243-F247 PolarHBondContact O-N 3.43Å; H244-F247 PolarHBondContact O-N 3.24Å; F247-R249 PolarHBondContact O-N 2.93Å; F247-K251 HydrophobicContact CD2-CB 3.81Å; F247-K251 HydrophobicContact CD2-CD 3.84Å; F247-K251 HydrophobicContact CD2-CG 4.43Å; F247-K251 HydrophobicContact CE2-CB 4.18Å; F247-K251 HydrophobicContact CG-CB 4.39Å; F247-K251 CarbonylContact O-C 3.56Å; F247-K251 WeakPolarHBondContact O-CA 3.48Å; F247-K251 WeakPolarHBondContact O-CB 3.45Å; F247-K251 PolarHBondContact O-N 3.03Å; F247-A252 HydrophobicContact CE1-CB 4.27Å; F247-A252 PolarHBondContact O-N 3.42Å; F247-Y277 HydrophobicContact CD1-CD2 4.4Å; F247-Y277 AromaticContact CD1-CE2 3.59Å; F247-Y277 HydrophobicContact CD1-CE2 3.59Å; F247-Y277 AromaticContact CD1-CZ 3.97Å; F247-Y277 HydrophobicContact CE1-CD2 4.21Å; F247-Y277 AromaticContact CE1-CE2 3.62Å; F247-Y277 HydrophobicContact CE1-CE2 3.62Å
248L90.4Very high87.2Confident16 Ų1667.4 Ų67.48%0.08435%0.345CS..Iπ-helixtrans-70.2-26.1-176.2-67.9172.5000114.4I231 H244 R245 Y273 R274 Y277I231-L248 HydrophobicContact CD1-CD1 3.58Å; I231-L248 HydrophobicContact CG2-CD1 4Å; H244-L248 WeakPolarHBondContact O-CG 3.5Å; H244-L248 PolarHBondContact O-N 3.48Å; R245-L248 PolarHBondContact O-N 3.19Å; L248-Y273 HydrophobicContact CD2-CD1 4.25Å; L248-Y273 HydrophobicContact CD2-CE1 3.62Å; L248-R274 HydrophobicContact CD1-CG 4.45Å; L248-Y277 HydrophobicContact CD1-CD1 3.97Å; L248-Y277 HydrophobicContact CD1-CE1 4.25Å; L248-Y277 HydrophobicContact CD1-CG 4.44Å; L248-Y277 HydrophobicContact CD2-CD1 4.25Å; L248-Y277 HydrophobicContact CD2-CD2 4.02Å; L248-Y277 HydrophobicContact CD2-CE2 4.4Å; L248-Y277 HydrophobicContact CD2-CG 3.94Å; L248-Y277 HydrophobicContact CG-CD1 4.37Å; L248-Y277 HydrophobicContact CG-CE1 4.42Å
249R89.3Confident87.3Confident146 Ų14667.2 Ų67.255%0.55134%0.344SS*.Iπ-helixtrans-90.5-40.5178.3-71.5179.9176.6178.60.8113.2R245 D246 F247R245-R249 VanDerWaalsContact O-CB 3.26Å; R245-R249 WeakPolarHBondContact O-CB 3.23Å; R245-R249 VanDerWaalsContact O-CG 3.3Å; R245-R249 WeakPolarHBondContact O-CG 3.35Å; R245-R249 PolarHBondContact O-N 2.91Å; D246-R249 PolarHBondContact O-N 3.39Å; F247-R249 PolarHBondContact O-N 2.93Å
250N85.8Confident87.4Confident117 Ų11762.6 Ų62.663%0.62631%0.311SS*.Iπ-helixtrans-113.1-23.3-165.8-60-35.2000113.9D246D246-N250 VanDerWaalsContact O-CB 3.32Å; D246-N250 WeakPolarHBondContact O-CB 3.49Å; D246-N250 PolarHBondContact O-N 3.41Å; D246-N250 PolarHBondContact OD1-ND2 3.41Å
251K80.7Confident87.5Confident126 Ų12666.6 Ų66.655%0.54832%0.319SS..Iπ-helixtrans-108.2-41.2-177-60.6-178.5177.9-1790112.8F247 T253F247-K251 HydrophobicContact CD2-CB 3.81Å; F247-K251 HydrophobicContact CD2-CD 3.84Å; F247-K251 HydrophobicContact CD2-CG 4.43Å; F247-K251 HydrophobicContact CE2-CB 4.18Å; F247-K251 HydrophobicContact CG-CB 4.39Å; F247-K251 CarbonylContact O-C 3.56Å; F247-K251 WeakPolarHBondContact O-CA 3.48Å; F247-K251 WeakPolarHBondContact O-CB 3.45Å; F247-K251 PolarHBondContact O-N 3.03Å; K251-T253 PolarHBondContact O-N 3.37Å
252A81.2Confident87.6Confident16 Ų1664 Ų6413%0.13231%0.314CS..  trans-70.4118.1174.700000109.3F247 Y273 I842F247-A252 HydrophobicContact CE1-CB 4.27Å; F247-A252 PolarHBondContact O-N 3.42Å; A252-Y273 HydrophobicContact CB-CE1 4.24Å; A252-I842 HydrophobicContact CB-CG2 3.91Å
253T81.5Confident87.7Confident70 Ų7065.4 Ų65.443%0.42932%0.323SS..BIsolated β-bridgetrans-107.9112.3-177.349.30000110.6K251 K255 I842 K843K251-T253 PolarHBondContact O-N 3.37Å; T253-K255 PolarHBondContact O-N 2.92Å; T253-I842 VanDerWaalsContact O-CA 3.22Å; T253-I842 WeakPolarHBondContact O-CA 3.48Å; T253-I842 WeakPolarHBondContact O-CG2 3.28Å; T253-K843 PolarHBondContact OG1-O 3.15Å
254F85.6Confident87.7Confident50 Ų5064.6 Ų64.622%0.21933%0.325CS..  trans-71.5116.9171.1179.4-120.1000110.1E256 L260 V266 I269 H270 I840 I842F254-E256 HydrophobicContact CD1-CG 4.07Å; F254-E256 HydrophobicContact CE1-CG 3.36Å; F254-E256 HydrophobicContact CZ-CG 3.76Å; F254-L260 HydrophobicContact CZ-CD1 4.19Å; F254-V266 HydrophobicContact CE1-CG1 4Å; F254-V266 HydrophobicContact CZ-CG1 4.45Å; F254-I269 HydrophobicContact CD2-CG2 4.44Å; F254-I269 HydrophobicContact CE2-CG2 3.77Å; F254-I269 HydrophobicContact CZ-CG2 4.46Å; F254-H270 AromaticContact CD1-CE1 3.95Å; F254-H270 AromaticContact CD1-NE2 3.88Å; F254-H270 AromaticContact CG-CE1 3.66Å; F254-I840 HydrophobicContact CD2-CG2 4.45Å; F254-I840 HydrophobicContact CE2-CB 4.02Å; F254-I840 HydrophobicContact CE2-CG2 3.61Å; F254-I840 HydrophobicContact CZ-CG2 4.18Å; F254-I842 HydrophobicContact CD2-CD1 4.36Å; F254-I842 HydrophobicContact CD2-CG1 4.4Å
255K84.4Confident87.7Confident54 Ų5464.5 Ų64.524%0.23533%0.325CS..  trans-110.6105.9180-173.1-178.3171.8-1790110.2T253 V257 D338 I840 H841T253-K255 PolarHBondContact O-N 2.92Å; K255-V257 PolarHBondContact O-N 3.41Å; K255-V257 VanDerWaalsContact O-N 3.12Å; K255-D338 IonicContact NZ-OD1 3.5Å; K255-D338 PolarHBondContact NZ-OD1 3.4Å; K255-D338 IonicContact NZ-OD2 3.75Å; K255-D338 PolarHBondContact NZ-OD2 2.87Å; K255-I840 WeakPolarHBondContact O-CG2 3.32Å; K255-H841 HydrophobicContact CB-CB 4.07Å; K255-H841 WeakPolarHBondContact CB-O 3.49Å; K255-H841 HydrophobicContact CD-CB 4.03Å; K255-H841 HydrophobicContact CG-CB 4.47Å
256E86.7Confident87.6Confident89 Ų8964.4 Ų64.442%0.41633%0.327SS..  trans-71.9104.3167.5-68.1-178.9-128.700109.5F254 L258 P259 L260F254-E256 HydrophobicContact CD1-CG 4.07Å; F254-E256 HydrophobicContact CE1-CG 3.36Å; F254-E256 HydrophobicContact CZ-CG 3.76Å; E256-L258 PolarHBondContact O-N 3.39Å; E256-P259 WeakPolarHBondContact OE2-CA 3.33Å; E256-L260 PolarHBondContact OE2-N 3.5Å
257V85.4Confident87.7Confident9 Ų963.3 Ų63.36%0.05532%0.323CS..SBendtrans-66.2-32.6173.3-171.70000110.1K255 H335 D338 L339 H841K255-V257 PolarHBondContact O-N 3.41Å; K255-V257 VanDerWaalsContact O-N 3.12Å; V257-H335 PolarHBondContact O-CE1 3.32Å; V257-D338 HydrophobicContact CG1-CB 3.76Å; V257-D338 HydrophobicContact CG2-CB 4.06Å; V257-L339 HydrophobicContact CG1-CB 4.3Å; V257-L339 HydrophobicContact CG1-CD2 3.46Å; V257-L339 VanDerWaalsContact CG1-CD2 3.46Å; V257-L339 HydrophobicContact CG1-CG 3.63Å; V257-H841 HydrophobicContact CG2-CB 4.39Å
258L87.5Confident87.8Confident19 Ų1963.6 Ų63.610%0.09932%0.324CS..SBendtrans-136.3143.7168.2-71.3170.5000108.5E256 L260 F318 L322 L339E256-L258 PolarHBondContact O-N 3.39Å; L258-L260 PolarHBondContact O-N 3.18Å; L258-F318 HydrophobicContact CB-CD2 4.23Å; L258-F318 HydrophobicContact CB-CE2 3.55Å; L258-F318 HydrophobicContact CB-CZ 4.2Å; L258-F318 HydrophobicContact CD1-CE2 4.17Å; L258-F318 HydrophobicContact CD1-CZ 4.24Å; L258-L322 HydrophobicContact CD1-CB 3.63Å; L258-L322 HydrophobicContact CD1-CD1 3.78Å; L258-L322 HydrophobicContact CD1-CG 4.29Å; L258-L339 HydrophobicContact CD1-CD2 3.78Å; L258-L339 HydrophobicContact CD2-CD2 4.16Å; L258-L339 HydrophobicContact CG-CD2 3.75Å
259P87.9Confident87.9Confident73 Ų7362.9 Ų62.947%0.47432%0.32SS..  trans-57.3124.4179.9-24.833.9000112E256 R321E256-P259 WeakPolarHBondContact OE2-CA 3.33Å; P259-R321 PolarHBondContact O-NH2 2.98Å
260L88.9Confident88Confident20 Ų2058.2 Ų58.211%0.10531%0.305CS..  trans-94.6119174.1-62.6176.3000109.2F254 E256 L258 L265 V266 I269 L312 F318F254-L260 HydrophobicContact CZ-CD1 4.19Å; E256-L260 PolarHBondContact OE2-N 3.5Å; L258-L260 PolarHBondContact O-N 3.18Å; L260-L265 HydrophobicContact CD1-CD2 4.41Å; L260-L265 HydrophobicContact CD2-CD2 4.04Å; L260-V266 HydrophobicContact CB-CG2 3.89Å; L260-V266 HydrophobicContact CD1-CG2 4.05Å; L260-I269 HydrophobicContact CD1-CD1 3.65Å; L260-L312 HydrophobicContact CD2-CD2 4.03Å; L260-F318 HydrophobicContact CD2-CD2 3.92Å; L260-F318 HydrophobicContact CD2-CE2 3.46Å; L260-F318 VanDerWaalsContact CD2-CE2 3.46Å; L260-F318 HydrophobicContact CD2-CZ 4.09Å
261H86.8Confident88.4Confident121 Ų12153.1 Ų53.156%0.5628%0.277SS*.  trans-85.8-21.5-178.9-57.2115.4000113.1T263H261-T263 PolarHBondContact O-N 3.27Å
262N89.6Confident89Confident66 Ų6647.2 Ų47.235%0.35325%0.251SS..  trans-84.7109.1-179.7-177.2-7.6000110.5D264 L265 V266N262-D264 VanDerWaalsContact C-N 3.34Å; N262-D264 PolarHBondContact O-N 3.44Å; N262-D264 WeakPolarHBondContact OD1-CB 3.5Å; N262-D264 PolarHBondContact OD1-N 3.37Å; N262-L265 HydrophobicContact CB-CB 3.88Å; N262-L265 WeakPolarHBondContact O-CB 3.45Å; N262-L265 PolarHBondContact O-N 3.25Å; N262-L265 PolarHBondContact OD1-N 3.11Å; N262-V266 PolarHBondContact O-N 3.46Å
263T91Very high89.5Confident101 Ų10147.8 Ų47.862%0.6225%0.25SS*.Hα-helixtrans-65.8-35.8179-49.30000112.3H261 L265 V266 T267H261-T263 PolarHBondContact O-N 3.27Å; T263-L265 VanDerWaalsContact C-N 3.29Å; T263-L265 PolarHBondContact O-N 3Å; T263-V266 PolarHBondContact O-N 3.48Å; T263-T267 WeakPolarHBondContact O-CB 3.17Å; T263-T267 PolarHBondContact O-N 2.91Å; T263-T267 PolarHBondContact O-OG1 3.16Å
264D91.9Very high90.1Very high121 Ų12146.7 Ų46.765%0.64724%0.238SC*.Hα-helixtrans-65-36.8179.2-59.4-30000111.1N262 T267 K268N262-D264 VanDerWaalsContact C-N 3.34Å; N262-D264 PolarHBondContact O-N 3.44Å; N262-D264 WeakPolarHBondContact OD1-CB 3.5Å; N262-D264 PolarHBondContact OD1-N 3.37Å; D264-T267 WeakPolarHBondContact O-CB 3.46Å; D264-T267 PolarHBondContact O-N 3.49Å; D264-K268 WeakPolarHBondContact O-CB 3.32Å; D264-K268 WeakPolarHBondContact O-CG 3.48Å; D264-K268 PolarHBondContact O-N 3.32Å
265L92.1Very high90.5Very high8 Ų844.3 Ų44.34%0.04223%0.228CC..Hα-helixtrans-61.6-48.3172.5170.959.3000111.3L260 N262 T263 T267 K268 I269 I308 A311 L312L260-L265 HydrophobicContact CD1-CD2 4.41Å; L260-L265 HydrophobicContact CD2-CD2 4.04Å; N262-L265 HydrophobicContact CB-CB 3.88Å; N262-L265 WeakPolarHBondContact O-CB 3.45Å; N262-L265 PolarHBondContact O-N 3.25Å; N262-L265 PolarHBondContact OD1-N 3.11Å; T263-L265 VanDerWaalsContact C-N 3.29Å; T263-L265 PolarHBondContact O-N 3Å; L265-T267 VanDerWaalsContact C-N 3.29Å; L265-T267 PolarHBondContact O-N 3.29Å; L265-K268 PolarHBondContact O-N 3.02Å; L265-I269 HydrophobicContact CD1-CD1 3.86Å; L265-I269 HydrophobicContact CD1-CG1 4.15Å; L265-I269 HydrophobicContact CG-CD1 3.84Å; L265-I269 WeakPolarHBondContact O-CD1 3.36Å; L265-I269 VanDerWaalsContact O-CG1 3.24Å; L265-I269 WeakPolarHBondContact O-CG1 3.43Å; L265-I269 PolarHBondContact O-N 2.98Å; L265-I308 HydrophobicContact CD1-CB 4.14Å; L265-I308 HydrophobicContact CD1-CG1 4.08Å; L265-I308 HydrophobicContact CD1-CG2 3.93Å; L265-A311 HydrophobicContact CB-CB 4.43Å; L265-A311 HydrophobicContact CD1-CB 4Å; L265-A311 HydrophobicContact CD2-CB 4.41Å; L265-L312 HydrophobicContact CD2-CD2 3.76Å; L265-L312 HydrophobicContact CD2-CG 4.12Å
266V91.9Very high90.9Very high25 Ų2542 Ų4215%0.15222%0.218CC..Hα-helixtrans-58.8-43.9177.8174.10000110.8F254 L260 N262 T263 I269 H270F254-V266 HydrophobicContact CE1-CG1 4Å; F254-V266 HydrophobicContact CZ-CG1 4.45Å; L260-V266 HydrophobicContact CB-CG2 3.89Å; L260-V266 HydrophobicContact CD1-CG2 4.05Å; N262-V266 PolarHBondContact O-N 3.46Å; T263-V266 PolarHBondContact O-N 3.48Å; V266-I269 WeakPolarHBondContact O-CB 3.47Å; V266-I269 PolarHBondContact O-N 3.06Å; V266-H270 PolarHBondContact O-CD2 3.41Å; V266-H270 PolarHBondContact O-N 2.94Å
267T92.3Very high91.1Very high41 Ų4139.2 Ų39.225%0.25220%0.204SC..Hα-helixtrans-58.7-49.3175-63.70000111.9D224 T263 D264 L265 I269 H270 Q271D224-T267 VanDerWaalsContact OD1-CG2 3.23Å; D224-T267 WeakPolarHBondContact OD1-CG2 3.4Å; D224-T267 WeakPolarHBondContact OD2-CG2 3.39Å; T263-T267 WeakPolarHBondContact O-CB 3.17Å; T263-T267 PolarHBondContact O-N 2.91Å; T263-T267 PolarHBondContact O-OG1 3.16Å; D264-T267 WeakPolarHBondContact O-CB 3.46Å; D264-T267 PolarHBondContact O-N 3.49Å; L265-T267 VanDerWaalsContact C-N 3.29Å; L265-T267 PolarHBondContact O-N 3.29Å; T267-I269 VanDerWaalsContact C-N 3.33Å; T267-I269 PolarHBondContact O-N 3.27Å; T267-H270 PolarHBondContact O-N 3.05Å; T267-H270 VanDerWaalsContact O-N 3.15Å; T267-Q271 PolarHBondContact O-N 3.33Å
268K92.6Very high91.4Very high47 Ų4738.8 Ų38.820%0.20420%0.201CC..Hα-helixtrans-61.7-37.9176.9-80.9-79.5171161.80113D264 L265 Q271 T272 N304 E307 I308D264-K268 WeakPolarHBondContact O-CB 3.32Å; D264-K268 WeakPolarHBondContact O-CG 3.48Å; D264-K268 PolarHBondContact O-N 3.32Å; L265-K268 PolarHBondContact O-N 3.02Å; K268-Q271 PolarHBondContact O-N 3.48Å; K268-T272 WeakPolarHBondContact O-CB 3.32Å; K268-T272 PolarHBondContact O-N 3.39Å; K268-T272 PolarHBondContact O-OG1 3.27Å; K268-N304 PolarHBondContact NZ-OD1 3.42Å; K268-E307 WeakPolarHBondContact CD-OE2 3.41Å; K268-E307 WeakPolarHBondContact CE-OE2 3.25Å; K268-E307 IonicContact NZ-OE2 3.36Å; K268-E307 PolarHBondContact NZ-OE2 3.22Å; K268-I308 HydrophobicContact CB-CG1 4.13Å
269I91.8Very high91.5Very high2 Ų238.6 Ų38.61%0.0120%0.2CC..Hα-helixtrans-59.8-49.3173.2-68.5156.7000110.3F254 L260 L265 V266 T267 T272 Y273 I308 I840F254-I269 HydrophobicContact CD2-CG2 4.44Å; F254-I269 HydrophobicContact CE2-CG2 3.77Å; F254-I269 HydrophobicContact CZ-CG2 4.46Å; L260-I269 HydrophobicContact CD1-CD1 3.65Å; L265-I269 HydrophobicContact CD1-CD1 3.86Å; L265-I269 HydrophobicContact CD1-CG1 4.15Å; L265-I269 HydrophobicContact CG-CD1 3.84Å; L265-I269 WeakPolarHBondContact O-CD1 3.36Å; L265-I269 VanDerWaalsContact O-CG1 3.24Å; L265-I269 WeakPolarHBondContact O-CG1 3.43Å; L265-I269 PolarHBondContact O-N 2.98Å; V266-I269 WeakPolarHBondContact O-CB 3.47Å; V266-I269 PolarHBondContact O-N 3.06Å; T267-I269 VanDerWaalsContact C-N 3.33Å; T267-I269 PolarHBondContact O-N 3.27Å; I269-T272 PolarHBondContact O-N 2.92Å; I269-Y273 PolarHBondContact O-N 3.16Å; I269-I308 HydrophobicContact CB-CD1 4.46Å; I269-I308 HydrophobicContact CG1-CD1 3.91Å; I269-I308 HydrophobicContact CG1-CG1 4.07Å; I269-I308 HydrophobicContact CG1-CG2 4.22Å; I269-I840 HydrophobicContact CB-CD1 4.41Å; I269-I840 HydrophobicContact CD1-CD1 3.23Å; I269-I840 HydrophobicContact CG1-CD1 3.61Å; I269-I840 HydrophobicContact CG2-CD1 3.91Å
270H92.5Very high91.5Very high47 Ų4738.6 Ų38.622%0.21820%0.196CC..Hα-helixtrans-62.9-43.9177.9-75.8-60.6000112.6F254 V266 T267 T272 Y273 R274F254-H270 AromaticContact CD1-CE1 3.95Å; F254-H270 AromaticContact CD1-NE2 3.88Å; F254-H270 AromaticContact CG-CE1 3.66Å; V266-H270 PolarHBondContact O-CD2 3.41Å; V266-H270 PolarHBondContact O-N 2.94Å; T267-H270 PolarHBondContact O-N 3.05Å; T267-H270 VanDerWaalsContact O-N 3.15Å; H270-T272 VanDerWaalsContact C-N 3.34Å; H270-T272 PolarHBondContact O-N 3.09Å; H270-Y273 PolarHBondContact O-N 3.27Å; H270-R274 WeakPolarHBondContact O-CB 3.48Å; H270-R274 WeakPolarHBondContact O-CG 3.41Å; H270-R274 PolarHBondContact O-N 3.02Å
271Q94.6Very high91.5Very high11 Ų1140.8 Ų40.85%0.05121%0.212CC..Hα-helixtrans-57.4-50.1176.4-170.8-173.148.200109.9F222 L227 T267 K268 Y273 R274 V275 N304F222-Q271 PolarHBondContact O-NE2 2.92Å; L227-Q271 HydrophobicContact CD2-CG 4.22Å; T267-Q271 PolarHBondContact O-N 3.33Å; K268-Q271 PolarHBondContact O-N 3.48Å; Q271-Y273 PolarHBondContact O-N 2.93Å; Q271-R274 PolarHBondContact O-N 3.23Å; Q271-V275 HydrophobicContact CG-CG2 4.37Å; Q271-V275 WeakPolarHBondContact O-CB 3.45Å; Q271-V275 VanDerWaalsContact O-CG2 3.24Å; Q271-V275 WeakPolarHBondContact O-CG2 3.28Å; Q271-V275 PolarHBondContact O-N 3.06Å; Q271-N304 PolarHBondContact OE1-ND2 2.92Å
272T93Very high91.5Very high1 Ų135.5 Ų35.51%0.00619%0.189CC..Hα-helixtrans-62.6-44.4-178.5-46.50000112.5K268 I269 H270 R274 V275 Q276 I301 N304 K305 I838K268-T272 WeakPolarHBondContact O-CB 3.32Å; K268-T272 PolarHBondContact O-N 3.39Å; K268-T272 PolarHBondContact O-OG1 3.27Å; I269-T272 PolarHBondContact O-N 2.92Å; H270-T272 VanDerWaalsContact C-N 3.34Å; H270-T272 PolarHBondContact O-N 3.09Å; T272-R274 PolarHBondContact O-N 3.37Å; T272-V275 PolarHBondContact O-N 3.21Å; T272-Q276 WeakPolarHBondContact O-CB 3.48Å; T272-Q276 PolarHBondContact O-N 3.18Å; T272-I301 HydrophobicContact CG2-CG2 4Å; T272-N304 HydrophobicContact CG2-CB 4.16Å; T272-N304 WeakPolarHBondContact OG1-CB 3.33Å; T272-N304 PolarHBondContact OG1-ND2 3.05Å; T272-K305 HydrophobicContact CG2-CG 4.32Å; T272-I838 HydrophobicContact CG2-CD1 3.33Å; T272-I838 HydrophobicContact CG2-CG1 4.06Å
273Y91.9Very high91.2Very high29 Ų2932.7 Ų32.711%0.11417%0.174CC..Hα-helixtrans-61.4-44.2176.9177-101.7000112L248 A252 I269 H270 Q271 Y277 P837 I842L248-Y273 HydrophobicContact CD2-CD1 4.25Å; L248-Y273 HydrophobicContact CD2-CE1 3.62Å; A252-Y273 HydrophobicContact CB-CE1 4.24Å; I269-Y273 PolarHBondContact O-N 3.16Å; H270-Y273 PolarHBondContact O-N 3.27Å; Q271-Y273 PolarHBondContact O-N 2.93Å; Y273-Y277 WeakPolarHBondContact O-CB 3.35Å; Y273-Y277 PolarHBondContact O-N 3.1Å; Y273-P837 HydrophobicContact CD2-CB 4.15Å; Y273-P837 HydrophobicContact CE2-CB 4.28Å; Y273-I842 HydrophobicContact CD1-CD1 3.83Å; Y273-I842 HydrophobicContact CD2-CD1 3.9Å; Y273-I842 HydrophobicContact CE1-CD1 4.02Å; Y273-I842 HydrophobicContact CE1-CG2 4.41Å; Y273-I842 HydrophobicContact CE2-CB 4.29Å; Y273-I842 HydrophobicContact CE2-CD1 4.1Å; Y273-I842 HydrophobicContact CE2-CG2 4.36Å; Y273-I842 HydrophobicContact CG-CD1 3.76Å
274R94.6Very high90.1Very high47 Ų4729.9 Ų29.918%0.17716%0.157CC..Hα-helixtrans-68.4-38.4-179.9-73.7171.2-177.9168.93.1112.2L227 I231 L248 H270 Q271 T272 Y277 I278L227-R274 HydrophobicContact CD1-CB 4.42Å; L227-R274 HydrophobicContact CD2-CB 3.63Å; L227-R274 HydrophobicContact CD2-CG 4.31Å; L227-R274 HydrophobicContact CG-CB 4.16Å; I231-R274 HydrophobicContact CD1-CB 4.17Å; I231-R274 HydrophobicContact CD1-CG 4.47Å; L248-R274 HydrophobicContact CD1-CG 4.45Å; H270-R274 WeakPolarHBondContact O-CB 3.48Å; H270-R274 WeakPolarHBondContact O-CG 3.41Å; H270-R274 PolarHBondContact O-N 3.02Å; Q271-R274 PolarHBondContact O-N 3.23Å; T272-R274 PolarHBondContact O-N 3.37Å; R274-Y277 WeakPolarHBondContact O-CB 3.27Å; R274-Y277 PolarHBondContact O-N 2.83Å; R274-I278 WeakPolarHBondContact O-CG1 3.45Å; R274-I278 PolarHBondContact O-N 2.99Å
275V93.6Very high88.7Confident0 Ų028 Ų280%015%0.152CC..Hα-helixtrans-69.8-40.9176.5176.80000111.2F222 L227 Q271 T272 Y277 I278 Q279 L297 F300 I301F222-V275 HydrophobicContact CB-CG2 3.68Å; F222-V275 HydrophobicContact CD1-CG2 4.09Å; F222-V275 HydrophobicContact CD2-CB 4.42Å; F222-V275 HydrophobicContact CD2-CG1 3.86Å; F222-V275 HydrophobicContact CD2-CG2 3.58Å; F222-V275 HydrophobicContact CE2-CG1 3.74Å; F222-V275 HydrophobicContact CE2-CG2 4.2Å; F222-V275 HydrophobicContact CG-CG2 3.51Å; F222-V275 HydrophobicContact CZ-CG1 4.33Å; L227-V275 HydrophobicContact CD1-CG2 4.26Å; Q271-V275 HydrophobicContact CG-CG2 4.37Å; Q271-V275 WeakPolarHBondContact O-CB 3.45Å; Q271-V275 VanDerWaalsContact O-CG2 3.24Å; Q271-V275 WeakPolarHBondContact O-CG2 3.28Å; Q271-V275 PolarHBondContact O-N 3.06Å; T272-V275 PolarHBondContact O-N 3.21Å; V275-Y277 VanDerWaalsContact C-N 3.29Å; V275-Y277 PolarHBondContact O-N 2.95Å; V275-I278 WeakPolarHBondContact O-CB 3.38Å; V275-I278 PolarHBondContact O-N 3.18Å; V275-Q279 PolarHBondContact O-N 3.18Å; V275-L297 HydrophobicContact CG1-CD1 3.57Å; V275-F300 HydrophobicContact CG1-CD1 4.08Å; V275-F300 HydrophobicContact CG1-CE1 4.36Å; V275-F300 HydrophobicContact CG2-CE1 4.04Å; V275-I301 HydrophobicContact CB-CG1 4.44Å; V275-I301 HydrophobicContact CG1-CD1 4.12Å; V275-I301 HydrophobicContact CG1-CG1 3.8Å
276Q91.3Very high87.3Confident4 Ų432.5 Ų32.52%0.01918%0.181CC..Hα-helixtrans-60.4-40.4170.4-172.270.460.500111.1T272 I278 Q279 D280 I301 P837T272-Q276 WeakPolarHBondContact O-CB 3.48Å; T272-Q276 PolarHBondContact O-N 3.18Å; Q276-I278 VanDerWaalsContact C-N 3.35Å; Q276-I278 PolarHBondContact O-N 3.21Å; Q276-Q279 WeakPolarHBondContact O-CB 3.33Å; Q276-Q279 PolarHBondContact O-N 3.44Å; Q276-D280 WeakPolarHBondContact CG-OD2 3.47Å; Q276-D280 PolarHBondContact NE2-OD1 2.91Å; Q276-D280 PolarHBondContact NE2-OD2 2.84Å; Q276-D280 VanDerWaalsContact NE2-OD2 3.14Å; Q276-D280 VanDerWaalsContact O-CG 3.28Å; Q276-D280 PolarHBondContact O-N 3.02Å; Q276-I301 HydrophobicContact CB-CD1 4.46Å; Q276-P837 HydrophobicContact CG-CB 4.01Å
277Y92.3Very high85.9Confident32 Ų3232.1 Ų32.113%0.12518%0.18CC..Hα-helixtrans-62-40.2174.6-175.4-86000112.3H244 F247 L248 Y273 R274 V275 Q279 D280 C281H244-Y277 HydrophobicContact CB-CE1 3.91Å; H244-Y277 AromaticContact CG-CE1 3.89Å; H244-Y277 AromaticContact ND1-CE1 3.45Å; H244-Y277 WeakPolarHBondContact ND1-CE1 3.4Å; H244-Y277 AromaticContact ND1-CZ 3.64Å; H244-Y277 PolarHBondContact ND1-OH 3.47Å; F247-Y277 HydrophobicContact CD1-CD2 4.4Å; F247-Y277 AromaticContact CD1-CE2 3.59Å; F247-Y277 HydrophobicContact CD1-CE2 3.59Å; F247-Y277 AromaticContact CD1-CZ 3.97Å; F247-Y277 HydrophobicContact CE1-CD2 4.21Å; F247-Y277 AromaticContact CE1-CE2 3.62Å; F247-Y277 HydrophobicContact CE1-CE2 3.62Å; L248-Y277 HydrophobicContact CD1-CD1 3.97Å; L248-Y277 HydrophobicContact CD1-CE1 4.25Å; L248-Y277 HydrophobicContact CD1-CG 4.44Å; L248-Y277 HydrophobicContact CD2-CD1 4.25Å; L248-Y277 HydrophobicContact CD2-CD2 4.02Å; L248-Y277 HydrophobicContact CD2-CE2 4.4Å; L248-Y277 HydrophobicContact CD2-CG 3.94Å; L248-Y277 HydrophobicContact CG-CD1 4.37Å; L248-Y277 HydrophobicContact CG-CE1 4.42Å; Y273-Y277 WeakPolarHBondContact O-CB 3.35Å; Y273-Y277 PolarHBondContact O-N 3.1Å; R274-Y277 WeakPolarHBondContact O-CB 3.27Å; R274-Y277 PolarHBondContact O-N 2.83Å; V275-Y277 VanDerWaalsContact C-N 3.29Å; V275-Y277 PolarHBondContact O-N 2.95Å; Y277-Q279 VanDerWaalsContact C-N 3.35Å; Y277-D280 PolarHBondContact O-N 2.93Å; Y277-C281 HydrophobicContact CD1-CB 4.18Å; Y277-C281 HydrophobicContact CD2-CB 4.27Å; Y277-C281 HydrophobicContact CE1-CB 3.86Å; Y277-C281 HydrophobicContact CE2-CB 3.97Å; Y277-C281 HydrophobicContact CG-CB 4.37Å; Y277-C281 WeakPolarHBondContact O-CA 3.41Å; Y277-C281 VanDerWaalsContact O-CB 3.27Å; Y277-C281 WeakPolarHBondContact O-CB 3.4Å; Y277-C281 PolarHBondContact O-N 3.43Å
278I91.9Very high84.3Confident0 Ų033.4 Ų33.40%018%0.184CC..Iπ-helixtrans-59.3-48.7173.3-69.4168.6000110.1I210 F222 L227 I231 L234 R274 V275 Q276 D280 C282 L283I210-I278 HydrophobicContact CD1-CG2 4.23Å; F222-I278 HydrophobicContact CD1-CD1 4.08Å; F222-I278 HydrophobicContact CE1-CD1 3.66Å; F222-I278 HydrophobicContact CZ-CD1 4.45Å; L227-I278 HydrophobicContact CD1-CD1 3.68Å; I231-I278 HydrophobicContact CD1-CD1 4.2Å; I231-I278 HydrophobicContact CD1-CG1 4.23Å; I231-I278 HydrophobicContact CG1-CD1 3.74Å; I231-I278 HydrophobicContact CG1-CG1 3.78Å; L234-I278 HydrophobicContact CD1-CG1 4.39Å; L234-I278 HydrophobicContact CD1-CG2 4.03Å; R274-I278 WeakPolarHBondContact O-CG1 3.45Å; R274-I278 PolarHBondContact O-N 2.99Å; V275-I278 WeakPolarHBondContact O-CB 3.38Å; V275-I278 PolarHBondContact O-N 3.18Å; Q276-I278 VanDerWaalsContact C-N 3.35Å; Q276-I278 PolarHBondContact O-N 3.21Å; I278-D280 PolarHBondContact O-N 2.65Å; I278-C282 HydrophobicContact CG2-CB 4.33Å; I278-C282 WeakPolarHBondContact O-CB 3.22Å; I278-C282 PolarHBondContact O-N 3.25Å; I278-C282 VanDerWaalsContact O-N 3.09Å; I278-L283 HydrophobicContact CG2-CG 4.38Å; I278-L283 PolarHBondContact O-N 3.45Å
279Q89.1Confident82.7Confident14 Ų1439.1 Ų39.17%0.06521%0.21CC..Iπ-helixtrans-55.4-51.2177.6-176.6-174.5-2.300111.1V275 Q276 Y277 L288 L294 L297V275-Q279 PolarHBondContact O-N 3.18Å; Q276-Q279 WeakPolarHBondContact O-CB 3.33Å; Q276-Q279 PolarHBondContact O-N 3.44Å; Y277-Q279 VanDerWaalsContact C-N 3.35Å; Q279-L288 WeakPolarHBondContact O-CD2 3.33Å; Q279-L294 HydrophobicContact CG-CD1 4.46Å; Q279-L297 HydrophobicContact CB-CD2 3.93Å; Q279-L297 HydrophobicContact CG-CD2 4.1Å
280D87.4Confident81.4Confident73 Ų7343 Ų4339%0.3923%0.231SC..Iπ-helixtrans-85.1-29.1-168.2-60.1-19.6000113.7Q276 Y277 I278Q276-D280 WeakPolarHBondContact CG-OD2 3.47Å; Q276-D280 PolarHBondContact NE2-OD1 2.91Å; Q276-D280 PolarHBondContact NE2-OD2 2.84Å; Q276-D280 VanDerWaalsContact NE2-OD2 3.14Å; Q276-D280 VanDerWaalsContact O-CG 3.28Å; Q276-D280 PolarHBondContact O-N 3.02Å; Y277-D280 PolarHBondContact O-N 2.93Å; I278-D280 PolarHBondContact O-N 2.65Å
281C88.8Confident79.9Confident67 Ų6746.7 Ų46.745%0.45325%0.248SC..Iπ-helixtrans-119.9-22.8-168.2-61.60000114.9Y277Y277-C281 HydrophobicContact CD1-CB 4.18Å; Y277-C281 HydrophobicContact CD2-CB 4.27Å; Y277-C281 HydrophobicContact CE1-CB 3.86Å; Y277-C281 HydrophobicContact CE2-CB 3.97Å; Y277-C281 HydrophobicContact CG-CB 4.37Å; Y277-C281 WeakPolarHBondContact O-CA 3.41Å; Y277-C281 VanDerWaalsContact O-CB 3.27Å; Y277-C281 WeakPolarHBondContact O-CB 3.4Å; Y277-C281 PolarHBondContact O-N 3.43Å
282C88.1Confident78.7Confident10 Ų1052.2 Ų52.27%0.06827%0.273CS..Iπ-helixtrans-103.3-24.7-173.4-61.20000113.4L234 I278L234-C282 HydrophobicContact CB-CB 4.34Å; L234-C282 HydrophobicContact CD1-CB 3.94Å; I278-C282 HydrophobicContact CG2-CB 4.33Å; I278-C282 WeakPolarHBondContact O-CB 3.22Å; I278-C282 PolarHBondContact O-N 3.25Å; I278-C282 VanDerWaalsContact O-N 3.09Å
283L82.3Confident77.7Confident6 Ų653.7 Ų53.73%0.03129%0.286CS..SBendtrans-93.9131-178.5-59.9179.6000111.3I210 I278 L294 L297I210-L283 HydrophobicContact CG2-CD1 4.07Å; I210-L283 HydrophobicContact CG2-CD2 4.1Å; I278-L283 HydrophobicContact CG2-CG 4.38Å; I278-L283 PolarHBondContact O-N 3.45Å; L283-L294 HydrophobicContact CD1-CD1 3.89Å; L283-L294 HydrophobicContact CD1-CD2 4.19Å; L283-L297 HydrophobicContact CD1-CD2 4.26Å
284P68.1Low77.4Confident43 Ų4352.4 Ų52.428%0.27928%0.281SS..PPolyproline II helixtrans-76.4142.5-17628.9-33.4000112.2C287P284-C287 PolarHBondContact O-N 2.94Å; P284-C287 PolarHBondContact O-SG 2.93Å
285P62.7Low77.2Confident82 Ų8252.5 Ų52.553%0.53229%0.289SS..THydrogen-bonded Turntrans-54.3137.4162.8-16.627.3000110.1L288 F289P285-L288 HydrophobicContact CG-CD1 4.26Å; P285-F289 HydrophobicContact CB-CD2 3.98Å; P285-F289 HydrophobicContact CB-CE2 3.55Å; P285-F289 HydrophobicContact CB-CZ 4.49Å; P285-F289 HydrophobicContact CG-CE2 4.3Å
286P61.8Low77.1Confident101 Ų10156.2 Ų56.266%0.65631%0.306SS*.THydrogen-bonded Turncis-98.43.125.135.9-35.1000116.6L288 F289 D290P286-L288 PolarHBondContact O-N 3.42Å; P286-F289 PolarHBondContact O-N 2.93Å; P286-D290 PolarHBondContact O-N 3.44Å
287C63.9Low77.1Confident18 Ų1856 Ų5612%0.12231%0.305CS..THydrogen-bonded Turntrans-63-17.4-177.568.70000113.8L211 P284L211-C287 HydrophobicContact CD2-CB 4.12Å; P284-C287 PolarHBondContact O-N 2.94Å; P284-C287 PolarHBondContact O-SG 2.93Å
288L58.2Low77Confident67 Ų6757.4 Ų57.435%0.35131%0.312SS..THydrogen-bonded Turntrans-76.9-22.3172-54.2-178.7000113.5Q279 P285 P286Q279-L288 WeakPolarHBondContact O-CD2 3.33Å; P285-L288 HydrophobicContact CG-CD1 4.26Å; P286-L288 PolarHBondContact O-N 3.42Å
289F59Low76.9Confident167 Ų16759.1 Ų59.173%0.73233%0.326SS*.THydrogen-bonded Turntrans-99.4-19.7-175.3-61.4-57.9000113.4P285 P286 E291P285-F289 HydrophobicContact CB-CD2 3.98Å; P285-F289 HydrophobicContact CB-CE2 3.55Å; P285-F289 HydrophobicContact CB-CZ 4.49Å; P285-F289 HydrophobicContact CG-CE2 4.3Å; P286-F289 PolarHBondContact O-N 2.93Å; F289-E291 PolarHBondContact O-N 3.49Å
290D64.1Low77.1Confident85 Ų8558.5 Ų58.546%0.45532%0.323SS..  trans-83.4110.2169.7-177.5-6.5000109.6P286 H292 A293P286-D290 PolarHBondContact O-N 3.44Å; D290-H292 PolarHBondContact O-N 3.31Å; D290-H292 VanDerWaalsContact O-N 3.16Å; D290-H292 PolarHBondContact OD1-N 3.26Å; D290-A293 HydrophobicContact CB-CB 3.75Å; D290-A293 PolarHBondContact O-N 3.1Å
291E61.2Low77.3Confident123 Ų12355.1 Ų55.158%0.57531%0.305SS*.THydrogen-bonded Turntrans-60.7-28-174.9-156.3175.4-172.100112.7F289 K298F289-E291 PolarHBondContact O-N 3.49Å; E291-K298 PolarHBondContact O-NZ 2.88Å
292H68.6Low77.3Confident127 Ų12754.7 Ų54.759%0.58830%0.303SS*.THydrogen-bonded Turntrans-93.4-23.2-176.5-64-62.5000114.2D290 L294 S295D290-H292 PolarHBondContact O-N 3.31Å; D290-H292 VanDerWaalsContact O-N 3.16Å; D290-H292 PolarHBondContact OD1-N 3.26Å; H292-L294 VanDerWaalsContact C-N 3.26Å; H292-L294 PolarHBondContact O-N 2.96Å; H292-S295 WeakPolarHBondContact O-CB 3.44Å; H292-S295 PolarHBondContact O-N 3.43Å; H292-S295 PolarHBondContact O-OG 3.21Å; H292-S295 VanDerWaalsContact O-OG 3.07Å
293A73.6Confident77.5Confident32 Ų3257.5 Ų57.526%0.26432%0.316SS..THydrogen-bonded Turntrans-58.8-33.4-173.100000114.1N213 D290N213-A293 VanDerWaalsContact CG-O 3.26Å; N213-A293 PolarHBondContact ND2-O 3.19Å; N213-A293 VanDerWaalsContact ND2-O 3.1Å; D290-A293 HydrophobicContact CB-CB 3.75Å; D290-A293 PolarHBondContact O-N 3.1Å
294L85.3Confident77.9Confident3 Ų357.3 Ų57.32%0.01632%0.315CS..THydrogen-bonded Turntrans-117.127.6-176.8-62.5177.9000112.6L211 Q279 L283 H292 Q296 L297 K298L211-L294 HydrophobicContact CD2-CD2 4.14Å; Q279-L294 HydrophobicContact CG-CD1 4.46Å; L283-L294 HydrophobicContact CD1-CD1 3.89Å; L283-L294 HydrophobicContact CD1-CD2 4.19Å; H292-L294 VanDerWaalsContact C-N 3.26Å; H292-L294 PolarHBondContact O-N 2.96Å; L294-Q296 VanDerWaalsContact C-N 3.35Å; L294-Q296 PolarHBondContact O-N 2.99Å; L294-L297 HydrophobicContact CB-CB 4.2Å; L294-L297 HydrophobicContact CB-CD2 4.43Å; L294-L297 HydrophobicContact CD1-CD2 4.26Å; L294-L297 HydrophobicContact CD2-CD2 4.28Å; L294-L297 WeakPolarHBondContact O-CB 3.39Å; L294-L297 PolarHBondContact O-N 3.07Å; L294-L297 VanDerWaalsContact O-N 3.09Å; L294-K298 WeakPolarHBondContact O-CG 3.43Å; L294-K298 PolarHBondContact O-N 2.68Å
295S89.4Confident79Confident49 Ų4955.8 Ų55.834%0.34330%0.304SS..Hα-helixtrans-55.8-40.7-176.8500000114.3N213 H292 A299N213-S295 PolarHBondContact ND2-N 2.91Å; N213-S295 PolarHBondContact ND2-OG 3.43Å; N213-S295 VanDerWaalsContact ND2-OG 3.07Å; H292-S295 WeakPolarHBondContact O-CB 3.44Å; H292-S295 PolarHBondContact O-N 3.43Å; H292-S295 PolarHBondContact O-OG 3.21Å; H292-S295 VanDerWaalsContact O-OG 3.07Å; S295-A299 WeakPolarHBondContact O-CB 3.38Å; S295-A299 PolarHBondContact O-N 3.34Å
296Q91.8Very high80.2Confident77 Ų7753.9 Ų53.936%0.3629%0.289SS..Hα-helixtrans-74.3-29.4177.5-60.5-63.8-45.500112N213 Y218 L294 A299 F300N213-Q296 WeakPolarHBondContact O-CB 3.42Å; N213-Q296 WeakPolarHBondContact O-CG 3.32Å; N213-Q296 WeakPolarHBondContact OD1-CA 3.29Å; N213-Q296 VanDerWaalsContact OD1-CB 3.24Å; N213-Q296 WeakPolarHBondContact OD1-CB 3.25Å; N213-Q296 PolarHBondContact OD1-N 3.43Å; Y218-Q296 HydrophobicContact CD2-CB 4.48Å; Y218-Q296 HydrophobicContact CE2-CB 3.96Å; L294-Q296 VanDerWaalsContact C-N 3.35Å; L294-Q296 PolarHBondContact O-N 2.99Å; Q296-A299 PolarHBondContact O-N 3.17Å; Q296-F300 WeakPolarHBondContact O-CB 3.44Å; Q296-F300 PolarHBondContact O-N 3.49Å
297L91.1Very high81.5Confident0 Ų052.7 Ų52.70%027%0.274CS..Hα-helixtrans-68.5-45.9174.6-177.163.6000110.5N213 Y218 F222 V275 Q279 L283 L294 A299 F300 I301N213-L297 PolarHBondContact OD1-N 3.39Å; Y218-L297 HydrophobicContact CD2-CD1 4.49Å; Y218-L297 HydrophobicContact CE1-CD1 4.43Å; Y218-L297 HydrophobicContact CE2-CB 3.8Å; Y218-L297 HydrophobicContact CE2-CD1 4.23Å; F222-L297 HydrophobicContact CE2-CD1 3.54Å; F222-L297 HydrophobicContact CZ-CD1 3.96Å; V275-L297 HydrophobicContact CG1-CD1 3.57Å; Q279-L297 HydrophobicContact CB-CD2 3.93Å; Q279-L297 HydrophobicContact CG-CD2 4.1Å; L283-L297 HydrophobicContact CD1-CD2 4.26Å; L294-L297 HydrophobicContact CB-CB 4.2Å; L294-L297 HydrophobicContact CB-CD2 4.43Å; L294-L297 HydrophobicContact CD1-CD2 4.26Å; L294-L297 HydrophobicContact CD2-CD2 4.28Å; L294-L297 WeakPolarHBondContact O-CB 3.39Å; L294-L297 PolarHBondContact O-N 3.07Å; L294-L297 VanDerWaalsContact O-N 3.09Å; L297-A299 VanDerWaalsContact C-N 3.29Å; L297-A299 PolarHBondContact O-N 2.9Å; L297-F300 WeakPolarHBondContact O-CB 3.46Å; L297-F300 PolarHBondContact O-N 3.37Å; L297-I301 HydrophobicContact CG-CD1 4.41Å; L297-I301 WeakPolarHBondContact O-CG1 3.43Å; L297-I301 PolarHBondContact O-N 2.84Å
298K89.7Confident82.7Confident62 Ų6252.1 Ų52.127%0.2727%0.27SS..Hα-helixtrans-58.1-42.6172.2-69.8175.8-178.8174.10111E291 L294 I301 S302E291-K298 PolarHBondContact O-NZ 2.88Å; L294-K298 WeakPolarHBondContact O-CG 3.43Å; L294-K298 PolarHBondContact O-N 2.68Å; K298-I301 PolarHBondContact O-N 2.73Å; K298-S302 WeakPolarHBondContact O-CB 3.34Å; K298-S302 PolarHBondContact O-N 3.02Å
299A91.2Very high84Confident35 Ų3549.1 Ų49.129%0.28925%0.254SS..Hα-helixtrans-63.3-43175.600000112.4S295 Q296 L297 I301 S302 I303S295-A299 WeakPolarHBondContact O-CB 3.38Å; S295-A299 PolarHBondContact O-N 3.34Å; Q296-A299 PolarHBondContact O-N 3.17Å; L297-A299 VanDerWaalsContact C-N 3.29Å; L297-A299 PolarHBondContact O-N 2.9Å; A299-I301 PolarHBondContact O-N 3.11Å; A299-S302 WeakPolarHBondContact O-CB 3.24Å; A299-S302 PolarHBondContact O-N 3.32Å; A299-I303 VanDerWaalsContact O-CG1 3.3Å; A299-I303 WeakPolarHBondContact O-CG1 3.46Å; A299-I303 PolarHBondContact O-N 2.9Å
300F93.3Very high85.4Confident1 Ų147.6 Ų47.60%0.00424%0.244CC..Hα-helixtrans-58.6-47.8175.7-177.4-83.9000111.7H215 Y218 E219 F222 V275 Q296 L297 S302 I303 N304H215-F300 AromaticContact CE1-CD2 3.81Å; H215-F300 AromaticContact ND1-CD2 3.91Å; Y218-F300 HydrophobicContact CD2-CB 4.4Å; E219-F300 HydrophobicContact CG-CE2 4.45Å; E219-F300 VanDerWaalsContact OE1-CE2 3.31Å; E219-F300 WeakPolarHBondContact OE1-CE2 3.37Å; F222-F300 HydrophobicContact CB-CE1 4.35Å; F222-F300 HydrophobicContact CB-CZ 4.15Å; F222-F300 HydrophobicContact CD2-CD1 4.24Å; F222-F300 AromaticContact CD2-CE1 3.97Å; F222-F300 HydrophobicContact CD2-CE1 3.97Å; F222-F300 HydrophobicContact CD2-CZ 4.18Å; V275-F300 HydrophobicContact CG1-CD1 4.08Å; V275-F300 HydrophobicContact CG1-CE1 4.36Å; V275-F300 HydrophobicContact CG2-CE1 4.04Å; Q296-F300 WeakPolarHBondContact O-CB 3.44Å; Q296-F300 PolarHBondContact O-N 3.49Å; L297-F300 WeakPolarHBondContact O-CB 3.46Å; L297-F300 PolarHBondContact O-N 3.37Å; F300-S302 VanDerWaalsContact C-N 3.31Å; F300-S302 PolarHBondContact O-N 3.49Å; F300-I303 PolarHBondContact O-N 3.14Å; F300-N304 WeakPolarHBondContact CE1-ND2 3.48Å; F300-N304 PolarHBondContact O-N 3.09Å
301I91.2Very high86.7Confident3 Ų344.6 Ų44.62%0.01523%0.231CC..Hα-helixtrans-60.7-42.2175.8-67.2166.3000110.8T272 V275 Q276 L297 K298 A299 N304 K305T272-I301 HydrophobicContact CG2-CG2 4Å; V275-I301 HydrophobicContact CB-CG1 4.44Å; V275-I301 HydrophobicContact CG1-CD1 4.12Å; V275-I301 HydrophobicContact CG1-CG1 3.8Å; Q276-I301 HydrophobicContact CB-CD1 4.46Å; L297-I301 HydrophobicContact CG-CD1 4.41Å; L297-I301 WeakPolarHBondContact O-CG1 3.43Å; L297-I301 PolarHBondContact O-N 2.84Å; K298-I301 PolarHBondContact O-N 2.73Å; A299-I301 PolarHBondContact O-N 3.11Å; I301-N304 PolarHBondContact O-N 2.71Å; I301-K305 HydrophobicContact CG2-CD 4.15Å; I301-K305 WeakPolarHBondContact O-CB 3.36Å; I301-K305 WeakPolarHBondContact O-CG 3.5Å; I301-K305 PolarHBondContact O-N 3.01Å
302S89.4Confident87.9Confident58 Ų5838.9 Ų38.941%0.40620%0.204SC..Hα-helixtrans-65.3-38.5178.4-168.20000112.9K298 A299 F300 K305 M306K298-S302 WeakPolarHBondContact O-CB 3.34Å; K298-S302 PolarHBondContact O-N 3.02Å; A299-S302 WeakPolarHBondContact O-CB 3.24Å; A299-S302 PolarHBondContact O-N 3.32Å; F300-S302 VanDerWaalsContact C-N 3.31Å; F300-S302 PolarHBondContact O-N 3.49Å; S302-K305 WeakPolarHBondContact O-CB 3.35Å; S302-K305 PolarHBondContact O-N 3.31Å; S302-M306 PolarHBondContact O-N 3.38Å
303I91.3Very high88.8Confident69 Ų6934.8 Ų34.835%0.35419%0.185SC..Hα-helixtrans-64.6-47.1175.7-70.6162.9000109.9A299 F300 K305 M306 E307A299-I303 VanDerWaalsContact O-CG1 3.3Å; A299-I303 WeakPolarHBondContact O-CG1 3.46Å; A299-I303 PolarHBondContact O-N 2.9Å; F300-I303 PolarHBondContact O-N 3.14Å; I303-K305 VanDerWaalsContact C-N 3.34Å; I303-K305 PolarHBondContact O-N 2.71Å; I303-M306 WeakPolarHBondContact O-CB 3.34Å; I303-M306 PolarHBondContact O-N 3.04Å; I303-M306 VanDerWaalsContact O-N 3.12Å; I303-E307 PolarHBondContact O-N 3.18Å
304N91.7Very high89.5Confident1 Ų140.5 Ų40.51%0.00521%0.206CC..Hα-helixtrans-62-41.2176.4-80-3.2000112.5K268 Q271 T272 F300 I301 M306 E307 I308K268-N304 PolarHBondContact NZ-OD1 3.42Å; Q271-N304 PolarHBondContact OE1-ND2 2.92Å; T272-N304 HydrophobicContact CG2-CB 4.16Å; T272-N304 WeakPolarHBondContact OG1-CB 3.33Å; T272-N304 PolarHBondContact OG1-ND2 3.05Å; F300-N304 WeakPolarHBondContact CE1-ND2 3.48Å; F300-N304 PolarHBondContact O-N 3.09Å; I301-N304 PolarHBondContact O-N 2.71Å; N304-M306 VanDerWaalsContact C-N 3.27Å; N304-M306 PolarHBondContact O-N 3.48Å; N304-E307 PolarHBondContact O-N 3.03Å; N304-I308 VanDerWaalsContact O-CG1 3.28Å; N304-I308 WeakPolarHBondContact O-CG1 3.21Å; N304-I308 PolarHBondContact O-N 3.49Å
305K89.7Confident89.8Confident12 Ų1242.3 Ų42.35%0.05222%0.216CC..Hα-helixtrans-54.9-43.6172.8-83.5174.3173.8-176.20111.6T272 I301 S302 I303 I308 I309 I349 I838T272-K305 HydrophobicContact CG2-CG 4.32Å; I301-K305 HydrophobicContact CG2-CD 4.15Å; I301-K305 WeakPolarHBondContact O-CB 3.36Å; I301-K305 WeakPolarHBondContact O-CG 3.5Å; I301-K305 PolarHBondContact O-N 3.01Å; S302-K305 WeakPolarHBondContact O-CB 3.35Å; S302-K305 PolarHBondContact O-N 3.31Å; I303-K305 VanDerWaalsContact C-N 3.34Å; I303-K305 PolarHBondContact O-N 2.71Å; K305-I308 PolarHBondContact O-N 3.25Å; K305-I309 WeakPolarHBondContact O-CG1 3.44Å; K305-I309 PolarHBondContact O-N 3.24Å; K305-I349 HydrophobicContact CB-CG2 3.72Å; K305-I349 HydrophobicContact CD-CG2 4.09Å; K305-I349 HydrophobicContact CG-CG2 4.01Å; K305-I838 HydrophobicContact CD-CG1 4.43Å; K305-I838 HydrophobicContact CG-CD1 3.54Å; K305-I838 HydrophobicContact CG-CG1 3.89Å
306M87.8Confident89.7Confident42 Ų4246.3 Ų46.321%0.20723%0.229CC..Hα-helixtrans-65.5-42176.9177.36274.700112.6S302 I303 N304 I309 R310 T353 Q355S302-M306 PolarHBondContact O-N 3.38Å; I303-M306 WeakPolarHBondContact O-CB 3.34Å; I303-M306 PolarHBondContact O-N 3.04Å; I303-M306 VanDerWaalsContact O-N 3.12Å; N304-M306 VanDerWaalsContact C-N 3.27Å; N304-M306 PolarHBondContact O-N 3.48Å; M306-I309 PolarHBondContact O-N 2.85Å; M306-R310 WeakPolarHBondContact O-CB 3.49Å; M306-R310 PolarHBondContact O-N 3.17Å; M306-T353 HydrophobicContact CE-CG2 3.44Å; M306-T353 VanDerWaalsContact CE-CG2 3.44Å; M306-Q355 HydrophobicContact CE-CB 4.42Å; M306-Q355 HydrophobicContact CE-CG 4.14Å; M306-Q355 HydrophobicContact SD-CG 4.49Å
307E90.1Very high89.7Confident76 Ų7648.5 Ų48.536%0.35524%0.239SC..Hα-helixtrans-64-41.4176.4-70.9-179.4172.500112K268 I303 N304 I309 R310 A311K268-E307 WeakPolarHBondContact CD-OE2 3.41Å; K268-E307 WeakPolarHBondContact CE-OE2 3.25Å; K268-E307 IonicContact NZ-OE2 3.36Å; K268-E307 PolarHBondContact NZ-OE2 3.22Å; I303-E307 PolarHBondContact O-N 3.18Å; N304-E307 PolarHBondContact O-N 3.03Å; E307-I309 VanDerWaalsContact C-N 3.33Å; E307-I309 PolarHBondContact O-N 3.06Å; E307-R310 PolarHBondContact O-N 3.17Å; E307-A311 WeakPolarHBondContact O-CB 3.38Å; E307-A311 PolarHBondContact O-N 3.12Å
308I89.1Confident89.7Confident6 Ų648.6 Ų48.63%0.03124%0.24CC..Hα-helixtrans-59.3-45.8173.5-69.9164.8000110.2L265 K268 I269 N304 K305 A311 L312 I838L265-I308 HydrophobicContact CD1-CB 4.14Å; L265-I308 HydrophobicContact CD1-CG1 4.08Å; L265-I308 HydrophobicContact CD1-CG2 3.93Å; K268-I308 HydrophobicContact CB-CG1 4.13Å; I269-I308 HydrophobicContact CB-CD1 4.46Å; I269-I308 HydrophobicContact CG1-CD1 3.91Å; I269-I308 HydrophobicContact CG1-CG1 4.07Å; I269-I308 HydrophobicContact CG1-CG2 4.22Å; N304-I308 VanDerWaalsContact O-CG1 3.28Å; N304-I308 WeakPolarHBondContact O-CG1 3.21Å; N304-I308 PolarHBondContact O-N 3.49Å; K305-I308 PolarHBondContact O-N 3.25Å; I308-A311 PolarHBondContact O-N 2.86Å; I308-L312 HydrophobicContact CG2-CD1 4.08Å; I308-L312 WeakPolarHBondContact O-CG 3.41Å; I308-L312 PolarHBondContact O-N 3.43Å; I308-I838 HydrophobicContact CD1-CD1 3.42Å; I308-I838 VanDerWaalsContact CD1-CD1 3.42Å
309I86.1Confident89.8Confident4 Ų445.7 Ų45.72%0.02123%0.227CC..Hα-helixtrans-60.1-50.4176.8-75.8170.1000111.2K305 M306 E307 A311 L312 Q313 F346 I349 F359K305-I309 WeakPolarHBondContact O-CG1 3.44Å; K305-I309 PolarHBondContact O-N 3.24Å; M306-I309 PolarHBondContact O-N 2.85Å; E307-I309 VanDerWaalsContact C-N 3.33Å; E307-I309 PolarHBondContact O-N 3.06Å; I309-A311 VanDerWaalsContact C-N 3.34Å; I309-A311 PolarHBondContact O-N 2.96Å; I309-L312 PolarHBondContact O-N 3.48Å; I309-Q313 HydrophobicContact CG2-CG 4.12Å; I309-Q313 WeakPolarHBondContact O-CG 3.39Å; I309-Q313 PolarHBondContact O-N 3.42Å; I309-F346 HydrophobicContact CB-CE2 4.25Å; I309-F346 HydrophobicContact CG1-CD2 4.16Å; I309-F346 HydrophobicContact CG1-CE2 3.81Å; I309-F346 HydrophobicContact CG2-CE2 4.3Å; I309-I349 HydrophobicContact CD1-CB 3.89Å; I309-I349 HydrophobicContact CD1-CG2 3.36Å; I309-I349 HydrophobicContact CG1-CG2 4.24Å; I309-F359 HydrophobicContact CG2-CD2 3.63Å; I309-F359 HydrophobicContact CG2-CE2 3.67Å
310R88.3Confident89.8Confident134 Ų13446.5 Ų46.551%0.50623%0.231SC..Hα-helixtrans-59.7-45.7-178.5-173.5-177.5-62.9159.12.9111.3M306 E307 L312 Q313 E314M306-R310 WeakPolarHBondContact O-CB 3.49Å; M306-R310 PolarHBondContact O-N 3.17Å; E307-R310 PolarHBondContact O-N 3.17Å; R310-L312 VanDerWaalsContact C-N 3.3Å; R310-L312 PolarHBondContact O-N 3Å; R310-Q313 PolarHBondContact O-N 3.41Å; R310-E314 HydrophobicContact CG-CG 4.46Å; R310-E314 WeakPolarHBondContact CG-OE1 3.18Å; R310-E314 WeakPolarHBondContact O-CB 3.39Å; R310-E314 WeakPolarHBondContact O-CG 3.01Å; R310-E314 PolarHBondContact O-N 3.2Å
311A90.1Very high89.8Confident22 Ų2249.8 Ų49.818%0.18224%0.243CC..Hα-helixtrans-62.1-36.2178.200000112.7L265 E307 I308 I309 D315L265-A311 HydrophobicContact CB-CB 4.43Å; L265-A311 HydrophobicContact CD1-CB 4Å; L265-A311 HydrophobicContact CD2-CB 4.41Å; E307-A311 WeakPolarHBondContact O-CB 3.38Å; E307-A311 PolarHBondContact O-N 3.12Å; I308-A311 PolarHBondContact O-N 2.86Å; I309-A311 VanDerWaalsContact C-N 3.34Å; I309-A311 PolarHBondContact O-N 2.96Å; A311-D315 PolarHBondContact O-N 3.47Å
312L87.6Confident89.8Confident3 Ų349.6 Ų49.62%0.01624%0.242CC..Hα-helixtrans-72.9-36.7174.3-72.7171.4000112.7L260 L265 I308 I309 R310 E314 D315 F318 F342 F346L260-L312 HydrophobicContact CD2-CD2 4.03Å; L265-L312 HydrophobicContact CD2-CD2 3.76Å; L265-L312 HydrophobicContact CD2-CG 4.12Å; I308-L312 HydrophobicContact CG2-CD1 4.08Å; I308-L312 WeakPolarHBondContact O-CG 3.41Å; I308-L312 PolarHBondContact O-N 3.43Å; I309-L312 PolarHBondContact O-N 3.48Å; R310-L312 VanDerWaalsContact C-N 3.3Å; R310-L312 PolarHBondContact O-N 3Å; L312-E314 VanDerWaalsContact C-N 3.35Å; L312-D315 PolarHBondContact O-N 3.22Å; L312-F318 HydrophobicContact CD2-CD1 4Å; L312-F318 HydrophobicContact CD2-CE1 3.75Å; L312-F318 HydrophobicContact CD2-CZ 4.06Å; L312-F342 HydrophobicContact CD1-CZ 4.02Å; L312-F342 HydrophobicContact CD2-CZ 4.48Å; L312-F346 HydrophobicContact CB-CE2 3.93Å; L312-F346 HydrophobicContact CB-CZ 3.7Å; L312-F346 HydrophobicContact CD1-CD2 4.17Å; L312-F346 HydrophobicContact CD1-CE2 3.63Å; L312-F346 HydrophobicContact CD1-CZ 4.15Å; L312-F346 HydrophobicContact CG-CE2 4.45Å
313Q86.5Confident90Very high42 Ų4247 Ų4720%0.19622%0.223CC..Hα-helixtrans-67.4-35175.7-73.1-177.6-56.400112.6I309 R310 D315 F346 F359 F362I309-Q313 HydrophobicContact CG2-CG 4.12Å; I309-Q313 WeakPolarHBondContact O-CG 3.39Å; I309-Q313 PolarHBondContact O-N 3.42Å; R310-Q313 PolarHBondContact O-N 3.41Å; Q313-D315 VanDerWaalsContact C-N 3.28Å; Q313-D315 PolarHBondContact O-N 3.36Å; Q313-F346 HydrophobicContact CG-CZ 4.39Å; Q313-F359 HydrophobicContact CG-CD2 4Å; Q313-F359 HydrophobicContact CG-CE2 4.16Å; Q313-F362 HydrophobicContact CB-CD1 4.44Å; Q313-F362 HydrophobicContact CB-CE1 4.12Å; Q313-F362 HydrophobicContact CB-CZ 4.49Å; Q313-F362 HydrophobicContact CG-CD1 4.03Å; Q313-F362 HydrophobicContact CG-CE1 4.06Å; Q313-F362 WeakPolarHBondContact O-CZ 3.15Å
314E89.3Confident90.1Very high151 Ų15148.1 Ų48.171%0.70623%0.234SC*.Hα-helixtrans-72-20.9177-72173.4-17500112.6R310 L312 E316R310-E314 HydrophobicContact CG-CG 4.46Å; R310-E314 WeakPolarHBondContact CG-OE1 3.18Å; R310-E314 WeakPolarHBondContact O-CB 3.39Å; R310-E314 WeakPolarHBondContact O-CG 3.01Å; R310-E314 PolarHBondContact O-N 3.2Å; L312-E314 VanDerWaalsContact C-N 3.35Å; E314-E316 PolarHBondContact O-N 2.93Å
315D90.4Very high90.1Very high41 Ų4151.9 Ų51.922%0.21925%0.248CC..  trans-88.578.2175.4-167.9-16.7000111.8A311 L312 Q313 E317 F318 M319A311-D315 PolarHBondContact O-N 3.47Å; L312-D315 PolarHBondContact O-N 3.22Å; Q313-D315 VanDerWaalsContact C-N 3.28Å; Q313-D315 PolarHBondContact O-N 3.36Å; D315-E317 PolarHBondContact O-N 2.89Å; D315-E317 PolarHBondContact OD1-N 3.03Å; D315-F318 HydrophobicContact CB-CB 3.9Å; D315-F318 PolarHBondContact O-N 3.01Å; D315-F318 WeakPolarHBondContact OD1-CB 3.39Å; D315-F318 PolarHBondContact OD1-N 3.09Å; D315-F318 WeakPolarHBondContact OD2-CB 3.49Å; D315-M319 WeakPolarHBondContact O-CG 3.27Å; D315-M319 PolarHBondContact O-N 3.46Å; D315-M319 VanDerWaalsContact O-N 3.12Å
316E88.9Confident90.2Very high134 Ų13451.3 Ų51.363%0.62625%0.245SC*.Hα-helixtrans-58.6-32.1178.6-167.9-179.1178.900112.6E314 M319 C320E314-E316 PolarHBondContact O-N 2.93Å; E316-M319 PolarHBondContact O-N 3.27Å; E316-C320 WeakPolarHBondContact O-CB 3.34Å; E316-C320 PolarHBondContact O-N 2.84Å; E316-C320 PolarHBondContact O-SG 2.87Å
317E90.7Very high90.3Very high122 Ų12253.1 Ų53.157%0.5725%0.252SS*.Hα-helixtrans-68.4-45.5178-171.6-171.115400111D315 M319 C320 R321D315-E317 PolarHBondContact O-N 2.89Å; D315-E317 PolarHBondContact OD1-N 3.03Å; E317-M319 VanDerWaalsContact C-N 3.33Å; E317-M319 PolarHBondContact O-N 3.37Å; E317-C320 PolarHBondContact O-N 2.89Å; E317-R321 WeakPolarHBondContact O-CB 3.2Å; E317-R321 VanDerWaalsContact O-CG 3.25Å; E317-R321 WeakPolarHBondContact O-CG 3.45Å; E317-R321 PolarHBondContact O-N 3.29Å; E317-R321 PolarHBondContact O-NE 3.32Å; E317-R321 IonicContact OE1-NE 2.85Å
318F91.8Very high90.4Very high3 Ų350.6 Ų50.61%0.01324%0.244CC..Hα-helixtrans-56.4-48.4173.1176.8-88000111.3L258 L260 L312 D315 C320 R321 L322 F342L258-F318 HydrophobicContact CB-CD2 4.23Å; L258-F318 HydrophobicContact CB-CE2 3.55Å; L258-F318 HydrophobicContact CB-CZ 4.2Å; L258-F318 HydrophobicContact CD1-CE2 4.17Å; L258-F318 HydrophobicContact CD1-CZ 4.24Å; L260-F318 HydrophobicContact CD2-CD2 3.92Å; L260-F318 HydrophobicContact CD2-CE2 3.46Å; L260-F318 VanDerWaalsContact CD2-CE2 3.46Å; L260-F318 HydrophobicContact CD2-CZ 4.09Å; L312-F318 HydrophobicContact CD2-CD1 4Å; L312-F318 HydrophobicContact CD2-CE1 3.75Å; L312-F318 HydrophobicContact CD2-CZ 4.06Å; D315-F318 HydrophobicContact CB-CB 3.9Å; D315-F318 PolarHBondContact O-N 3.01Å; D315-F318 WeakPolarHBondContact OD1-CB 3.39Å; D315-F318 PolarHBondContact OD1-N 3.09Å; D315-F318 WeakPolarHBondContact OD2-CB 3.49Å; F318-C320 PolarHBondContact O-N 3.04Å; F318-R321 PolarHBondContact O-N 3.46Å; F318-L322 HydrophobicContact CE1-CD2 4.07Å; F318-L322 WeakPolarHBondContact O-CB 3.36Å; F318-L322 PolarHBondContact O-N 2.89Å; F318-F342 AromaticContact CE1-CE1 3.78Å; F318-F342 HydrophobicContact CE1-CE1 3.78Å; F318-F342 AromaticContact CE1-CZ 3.85Å; F318-F342 HydrophobicContact CE1-CZ 3.85Å; F318-F342 AromaticContact CZ-CE1 3.82Å; F318-F342 HydrophobicContact CZ-CE1 3.82Å; F318-F342 HydrophobicContact CZ-CE2 4.47Å; F318-F342 AromaticContact CZ-CZ 3.63Å; F318-F342 HydrophobicContact CZ-CZ 3.63Å
319M90.7Very high90.2Very high0 Ų055.2 Ų55.20%028%0.283CS..Hα-helixtrans-63-43.3-179.4-68.4-60.4-68.900112.4D315 E316 E317 R321 L322 F323 F346 F362 L363D315-M319 WeakPolarHBondContact O-CG 3.27Å; D315-M319 PolarHBondContact O-N 3.46Å; D315-M319 VanDerWaalsContact O-N 3.12Å; E316-M319 PolarHBondContact O-N 3.27Å; E317-M319 VanDerWaalsContact C-N 3.33Å; E317-M319 PolarHBondContact O-N 3.37Å; M319-R321 PolarHBondContact O-N 3.41Å; M319-L322 PolarHBondContact O-N 3.45Å; M319-L322 HydrophobicContact SD-CD2 4.31Å; M319-F323 HydrophobicContact CE-CD2 4.37Å; M319-F323 HydrophobicContact CE-CE2 3.68Å; M319-F323 WeakPolarHBondContact O-CD2 3.38Å; M319-F323 PolarHBondContact O-N 2.92Å; M319-F323 VanDerWaalsContact O-N 3.12Å; M319-F346 HydrophobicContact CE-CE1 3.83Å; M319-F346 HydrophobicContact SD-CE1 3.96Å; M319-F362 HydrophobicContact CB-CE1 4.45Å; M319-F362 HydrophobicContact CB-CZ 4.37Å; M319-F362 HydrophobicContact CE-CD1 4.18Å; M319-F362 HydrophobicContact CE-CE1 3.66Å; M319-F362 HydrophobicContact CG-CE1 3.73Å; M319-F362 HydrophobicContact CG-CZ 3.92Å; M319-F362 HydrophobicContact SD-CE1 4.28Å; M319-L363 HydrophobicContact CE-CD2 3.4Å; M319-L363 VanDerWaalsContact CE-CD2 3.4Å
320C91.9Very high90.4Very high53 Ų5360.4 Ų60.436%0.35831%0.311SS..Hα-helixtrans-61.5-44.1174.4-72.50000112.3E316 E317 F318 T324E316-C320 WeakPolarHBondContact O-CB 3.34Å; E316-C320 PolarHBondContact O-N 2.84Å; E316-C320 PolarHBondContact O-SG 2.87Å; E317-C320 PolarHBondContact O-N 2.89Å; F318-C320 PolarHBondContact O-N 3.04Å; C320-T324 WeakPolarHBondContact O-CB 3.45Å; C320-T324 PolarHBondContact O-N 3.14Å; C320-T324 PolarHBondContact O-OG1 3.03Å
321R92.6Very high90.5Very high69 Ų6954.4 Ų54.426%0.2629%0.289SS..Hα-helixtrans-62.4-43.9177.1-72.2-179.5-58.7152.23.8111.4P259 E317 F318 M319 T324 R325P259-R321 PolarHBondContact O-NH2 2.98Å; E317-R321 WeakPolarHBondContact O-CB 3.2Å; E317-R321 VanDerWaalsContact O-CG 3.25Å; E317-R321 WeakPolarHBondContact O-CG 3.45Å; E317-R321 PolarHBondContact O-N 3.29Å; E317-R321 PolarHBondContact O-NE 3.32Å; E317-R321 IonicContact OE1-NE 2.85Å; F318-R321 PolarHBondContact O-N 3.46Å; M319-R321 PolarHBondContact O-N 3.41Å; R321-T324 PolarHBondContact O-N 2.76Å; R321-R325 VanDerWaalsContact O-CB 3.32Å; R321-R325 WeakPolarHBondContact O-CB 3.18Å; R321-R325 PolarHBondContact O-N 2.88Å
322L92.6Very high90.6Very high0 Ų057.2 Ų57.20%030%0.301CS..Hα-helixtrans-56.7-57.3178.5174.258.6000112.3L258 F318 M319 T324 R325 L326 L339 F342 V343L258-L322 HydrophobicContact CD1-CB 3.63Å; L258-L322 HydrophobicContact CD1-CD1 3.78Å; L258-L322 HydrophobicContact CD1-CG 4.29Å; F318-L322 HydrophobicContact CE1-CD2 4.07Å; F318-L322 WeakPolarHBondContact O-CB 3.36Å; F318-L322 PolarHBondContact O-N 2.89Å; M319-L322 PolarHBondContact O-N 3.45Å; M319-L322 HydrophobicContact SD-CD2 4.31Å; L322-T324 VanDerWaalsContact C-N 3.34Å; L322-T324 PolarHBondContact O-N 3.25Å; L322-R325 PolarHBondContact O-N 3.44Å; L322-L326 HydrophobicContact CD1-CD1 3.89Å; L322-L326 HydrophobicContact CD1-CG 4.48Å; L322-L326 HydrophobicContact CG-CD1 4.19Å; L322-L326 PolarHBondContact O-N 2.95Å; L322-L339 HydrophobicContact CD1-CB 4.36Å; L322-L339 HydrophobicContact CD1-CD2 3.54Å; L322-F342 HydrophobicContact CD1-CD1 4.22Å; L322-F342 HydrophobicContact CD2-CD1 3.88Å; L322-F342 HydrophobicContact CD2-CE1 3.75Å; L322-V343 HydrophobicContact CD1-CG2 4.11Å; L322-V343 HydrophobicContact CD2-CG2 3.93Å; L322-V343 HydrophobicContact CG-CG2 4.16Å
323F92.9Very high90.7Very high3 Ų361.6 Ų61.61%0.01332%0.324CS..Hα-helixtrans-68.7-33.6-178.6-78.3-74.6000112.5M319 K327 V343 L363 H366 A368 T371M319-F323 HydrophobicContact CE-CD2 4.37Å; M319-F323 HydrophobicContact CE-CE2 3.68Å; M319-F323 WeakPolarHBondContact O-CD2 3.38Å; M319-F323 PolarHBondContact O-N 2.92Å; M319-F323 VanDerWaalsContact O-N 3.12Å; F323-K327 WeakPolarHBondContact O-CE 3.12Å; F323-K327 PolarHBondContact O-N 2.97Å; F323-V343 HydrophobicContact CZ-CG1 4.47Å; F323-L363 HydrophobicContact CE2-CD2 4.06Å; F323-L363 HydrophobicContact CZ-CD2 4.04Å; F323-H366 WeakPolarHBondContact CB-O 3.41Å; F323-H366 HydrophobicContact CD2-CB 3.36Å; F323-H366 HydrophobicContact CE2-CB 3.67Å; F323-H366 HydrophobicContact CG-CB 4Å; F323-A368 HydrophobicContact CE1-CB 3.92Å; F323-A368 HydrophobicContact CZ-CB 4.03Å; F323-T371 HydrophobicContact CD1-CG2 4.36Å; F323-T371 WeakPolarHBondContact CD1-OG1 3.38Å
324T92.5Very high90.9Very high93 Ų9363.2 Ų63.257%0.57134%0.337SS*.Hα-helixtrans-63.3-46.4174-59.80000111.1C320 R321 L322 K327 A328C320-T324 WeakPolarHBondContact O-CB 3.45Å; C320-T324 PolarHBondContact O-N 3.14Å; C320-T324 PolarHBondContact O-OG1 3.03Å; R321-T324 PolarHBondContact O-N 2.76Å; L322-T324 VanDerWaalsContact C-N 3.34Å; L322-T324 PolarHBondContact O-N 3.25Å; T324-K327 PolarHBondContact O-N 3.29Å; T324-A328 WeakPolarHBondContact O-CB 3.3Å; T324-A328 PolarHBondContact O-N 2.9Å
325R92.2Very high91.1Very high80 Ų8058 Ų5830%0.30231%0.312SS..Hα-helixtrans-67.7-37.4-179.1-164.965.1173.8158.62.6112.4R321 L322 K327 A328 D330 T331 L339R321-R325 VanDerWaalsContact O-CB 3.32Å; R321-R325 WeakPolarHBondContact O-CB 3.18Å; R321-R325 PolarHBondContact O-N 2.88Å; L322-R325 PolarHBondContact O-N 3.44Å; R325-K327 VanDerWaalsContact C-N 3.28Å; R325-K327 PolarHBondContact O-N 3.32Å; R325-A328 PolarHBondContact O-N 2.96Å; R325-D330 IonicContact CZ-OD2 2.89Å; R325-D330 IonicContact NH1-OD1 3.8Å; R325-D330 IonicContact NH1-OD2 2.65Å; R325-D330 PolarHBondContact NH1-OD2 3.37Å; R325-T331 WeakPolarHBondContact CD-OG1 3.48Å; R325-T331 HydrophobicContact CG-CG2 4.24Å; R325-T331 WeakPolarHBondContact O-CB 3.26Å; R325-T331 PolarHBondContact O-OG1 3.43Å; R325-L339 HydrophobicContact CB-CD1 4.05Å; R325-L339 HydrophobicContact CG-CD1 3.66Å
326L91.9Very high91.2Very high0 Ų057.2 Ų57.20%031%0.306CS..Hα-helixtrans-59.1-39174.6-83.4163.4000112.6L322 R336 L339 V343 T371 L375L322-L326 HydrophobicContact CD1-CD1 3.89Å; L322-L326 HydrophobicContact CD1-CG 4.48Å; L322-L326 HydrophobicContact CG-CD1 4.19Å; L322-L326 PolarHBondContact O-N 2.95Å; L326-R336 HydrophobicContact CD2-CG 4.28Å; L326-R336 PolarHBondContact O-NE 2.91Å; L326-L339 HydrophobicContact CD1-CB 4.38Å; L326-L339 HydrophobicContact CD2-CB 3.42Å; L326-L339 VanDerWaalsContact CD2-CB 3.42Å; L326-L339 HydrophobicContact CD2-CD1 4.44Å; L326-L339 HydrophobicContact CG-CB 3.78Å; L326-L339 HydrophobicContact CG-CD1 4.37Å; L326-V343 HydrophobicContact CD1-CG2 3.62Å; L326-T371 HydrophobicContact CB-CG2 3.78Å; L326-T371 HydrophobicContact CD1-CG2 3.96Å; L326-T371 HydrophobicContact CG-CG2 4.31Å; L326-L375 HydrophobicContact CD2-CD1 4.43Å; L326-L375 HydrophobicContact CD2-CD2 4.18Å
327K90.4Very high91.4Very high79 Ų7953.6 Ų53.634%0.34329%0.287SS..Hα-helixtrans-85.6-19.5-179.4-68.4177.9-69.7-164.90114.1F323 T324 R325 R370 T371 V374F323-K327 WeakPolarHBondContact O-CE 3.12Å; F323-K327 PolarHBondContact O-N 2.97Å; T324-K327 PolarHBondContact O-N 3.29Å; R325-K327 VanDerWaalsContact C-N 3.28Å; R325-K327 PolarHBondContact O-N 3.32Å; K327-R370 HydrophobicContact CD-CG 4.25Å; K327-T371 WeakPolarHBondContact CG-OG1 3.45Å; K327-V374 HydrophobicContact CG-CG2 4.45Å
328A91.2Very high91.4Very high24 Ų2448.3 Ų48.320%0.19826%0.263CS..  trans-69133.1-173.200000111.7T324 R325 D330 T331 R336T324-A328 WeakPolarHBondContact O-CB 3.3Å; T324-A328 PolarHBondContact O-N 2.9Å; R325-A328 PolarHBondContact O-N 2.96Å; A328-D330 VanDerWaalsContact C-N 3.25Å; A328-D330 WeakPolarHBondContact CB-OD1 3.3Å; A328-D330 PolarHBondContact O-N 3.32Å; A328-T331 WeakPolarHBondContact O-CB 3.49Å; A328-T331 PolarHBondContact O-N 3.06Å; A328-T331 PolarHBondContact O-OG1 3.34Å; A328-R336 PolarHBondContact O-NH2 3.2Å
329A86.2Confident91.5Very high102 Ų10248.2 Ų48.284%0.84326%0.262SS*.THydrogen-bonded Turntrans-67.5-23.7-175.300000113.7T331A329-T331 VanDerWaalsContact C-N 3.35Å
330D90.1Very high91.6Very high114 Ų11448.2 Ų48.261%0.6126%0.262SS*.THydrogen-bonded Turntrans-83.9-6.6-179.368.8-50.6000113.8R325 A328 D332R325-D330 IonicContact CZ-OD2 2.89Å; R325-D330 IonicContact NH1-OD1 3.8Å; R325-D330 IonicContact NH1-OD2 2.65Å; R325-D330 PolarHBondContact NH1-OD2 3.37Å; A328-D330 VanDerWaalsContact C-N 3.25Å; A328-D330 WeakPolarHBondContact CB-OD1 3.3Å; A328-D330 PolarHBondContact O-N 3.32Å; D330-D332 PolarHBondContact O-N 2.95Å
331T89.8Confident91.5Very high7 Ų747.8 Ų47.84%0.04326%0.256CS..SBendtrans-69.2124.6177.9-57.30000110.5R325 A328 A329 H335 R336 L339R325-T331 WeakPolarHBondContact CD-OG1 3.48Å; R325-T331 HydrophobicContact CG-CG2 4.24Å; R325-T331 WeakPolarHBondContact O-CB 3.26Å; R325-T331 PolarHBondContact O-OG1 3.43Å; A328-T331 WeakPolarHBondContact O-CB 3.49Å; A328-T331 PolarHBondContact O-N 3.06Å; A328-T331 PolarHBondContact O-OG1 3.34Å; A329-T331 VanDerWaalsContact C-N 3.35Å; T331-H335 HydrophobicContact CG2-CB 4.43Å; T331-R336 HydrophobicContact CG2-CB 3.89Å; T331-R336 PolarHBondContact O-NH2 2.92Å; T331-L339 HydrophobicContact CG2-CD1 4.23Å
332D91.8Very high91.4Very high82 Ų8245.2 Ų45.244%0.43925%0.247SC..  trans-64.7149177.567.5-84.4000111.4D330 T334 H335 R336D330-D332 PolarHBondContact O-N 2.95Å; D332-T334 PolarHBondContact O-N 3.13Å; D332-T334 PolarHBondContact OD2-N 2.95Å; D332-H335 PolarHBondContact O-N 3.21Å; D332-H335 WeakPolarHBondContact OD1-CB 3.27Å; D332-H335 IonicContact OD1-CG 3.68Å; D332-H335 WeakPolarHBondContact OD2-CB 3Å; D332-H335 PolarHBondContact OD2-N 2.86Å; D332-R336 WeakPolarHBondContact O-CB 3.13Å; D332-R336 PolarHBondContact O-N 3.15Å
333L91Very high91.3Very high95 Ų9545.3 Ų45.350%0.49725%0.247SC..Hα-helixtrans-59.8-34.1-175.3-72.3172.9000112.8R337 I378L333-R337 WeakPolarHBondContact O-CB 3.42Å; L333-R337 PolarHBondContact O-N 3.45Å; L333-I378 HydrophobicContact CD2-CG2 3.82Å
334T91.1Very high91.1Very high75 Ų7547.3 Ų47.346%0.4626%0.256SS..Hα-helixtrans-70.3-47.8-178.3-56.90000110.6D332 R337 D338D332-T334 PolarHBondContact O-N 3.13Å; D332-T334 PolarHBondContact OD2-N 2.95Å; T334-R337 WeakPolarHBondContact O-CB 3.46Å; T334-R337 PolarHBondContact O-N 3.24Å; T334-D338 VanDerWaalsContact O-CG 3.3Å; T334-D338 PolarHBondContact O-N 3.42Å; T334-D338 VanDerWaalsContact O-OD2 3.1Å
335H91.6Very high90.8Very high42 Ų4243.6 Ų43.619%0.19423%0.232CC..Hα-helixtrans-66.1-38.5176.7-17163.1000111.8V257 T331 D332 R337 D338 L339V257-H335 PolarHBondContact O-CE1 3.32Å; T331-H335 HydrophobicContact CG2-CB 4.43Å; D332-H335 PolarHBondContact O-N 3.21Å; D332-H335 WeakPolarHBondContact OD1-CB 3.27Å; D332-H335 IonicContact OD1-CG 3.68Å; D332-H335 WeakPolarHBondContact OD2-CB 3Å; D332-H335 PolarHBondContact OD2-N 2.86Å; H335-R337 VanDerWaalsContact C-N 3.29Å; H335-R337 PolarHBondContact O-N 3.09Å; H335-D338 PolarHBondContact O-N 3.04Å; H335-L339 WeakPolarHBondContact O-CB 3.23Å; H335-L339 VanDerWaalsContact O-CG 3.26Å; H335-L339 WeakPolarHBondContact O-CG 3.28Å; H335-L339 PolarHBondContact O-N 3.31Å
336R93.2Very high90.4Very high24 Ų2440.2 Ų40.29%0.09122%0.22CC..Hα-helixtrans-61.7-39173.4-165.1178-73.5148.35111.3L326 A328 T331 D332 L339 S340 L375 I383L326-R336 HydrophobicContact CD2-CG 4.28Å; L326-R336 PolarHBondContact O-NE 2.91Å; A328-R336 PolarHBondContact O-NH2 3.2Å; T331-R336 HydrophobicContact CG2-CB 3.89Å; T331-R336 PolarHBondContact O-NH2 2.92Å; D332-R336 WeakPolarHBondContact O-CB 3.13Å; D332-R336 PolarHBondContact O-N 3.15Å; R336-L339 PolarHBondContact O-N 3.37Å; R336-S340 WeakPolarHBondContact O-CB 3.36Å; R336-S340 PolarHBondContact O-N 3.14Å; R336-S340 PolarHBondContact O-OG 3.07Å; R336-L375 HydrophobicContact CG-CD2 3.93Å; R336-I383 HydrophobicContact CB-CD1 4.36Å; R336-I383 HydrophobicContact CG-CD1 4.44Å
337R93.2Very high90.2Very high59 Ų5940.2 Ų40.222%0.22322%0.22CC..Hα-helixtrans-61-48.4172.5-168.9-175.4-60.8121.7-6.5111.4L333 T334 H335 L339 S340 L341 D380 D382 I383L333-R337 WeakPolarHBondContact O-CB 3.42Å; L333-R337 PolarHBondContact O-N 3.45Å; T334-R337 WeakPolarHBondContact O-CB 3.46Å; T334-R337 PolarHBondContact O-N 3.24Å; H335-R337 VanDerWaalsContact C-N 3.29Å; H335-R337 PolarHBondContact O-N 3.09Å; R337-L339 VanDerWaalsContact C-N 3.33Å; R337-L339 PolarHBondContact O-N 3.47Å; R337-S340 PolarHBondContact O-N 3.35Å; R337-S340 VanDerWaalsContact O-N 3.16Å; R337-L341 HydrophobicContact CG-CD1 4.12Å; R337-L341 WeakPolarHBondContact O-CG 3.4Å; R337-L341 PolarHBondContact O-N 3.28Å; R337-D380 IonicContact CZ-OD1 3.15Å; R337-D380 IonicContact CZ-OD2 2.95Å; R337-D380 IonicContact NE-OD1 2.65Å; R337-D380 PolarHBondContact NE-OD1 2.8Å; R337-D380 VanDerWaalsContact NE-OD1 3.14Å; R337-D380 IonicContact NE-OD2 3.56Å; R337-D380 IonicContact NH2-OD1 2.7Å; R337-D380 PolarHBondContact NH2-OD1 3.3Å; R337-D380 IonicContact NH2-OD2 3.38Å; R337-D380 PolarHBondContact NH2-OD2 3.31Å; R337-D382 HydrophobicContact CG-CB 3.96Å; R337-D382 IonicContact NE-OD2 3.24Å; R337-D382 PolarHBondContact NE-OD2 2.99Å; R337-I383 HydrophobicContact CB-CD1 4.23Å; R337-I383 HydrophobicContact CB-CG1 3.91Å; R337-I383 HydrophobicContact CG-CG1 4.14Å
338D91.8Very high90Very high11 Ų1138.5 Ų38.56%0.05922%0.215CC..Hα-helixtrans-59.9-42.3177.8-59.4-59.6000112.2K255 V257 T334 H335 F342 H841K255-D338 IonicContact NZ-OD1 3.5Å; K255-D338 PolarHBondContact NZ-OD1 3.4Å; K255-D338 IonicContact NZ-OD2 3.75Å; K255-D338 PolarHBondContact NZ-OD2 2.87Å; V257-D338 HydrophobicContact CG1-CB 3.76Å; V257-D338 HydrophobicContact CG2-CB 4.06Å; T334-D338 VanDerWaalsContact O-CG 3.3Å; T334-D338 PolarHBondContact O-N 3.42Å; T334-D338 VanDerWaalsContact O-OD2 3.1Å; H335-D338 PolarHBondContact O-N 3.04Å; D338-F342 WeakPolarHBondContact O-CB 3.47Å; D338-F342 PolarHBondContact O-N 3.31Å; D338-H841 IonicContact OD1-CD2 3.47Å; D338-H841 IonicContact OD1-CE1 3.65Å; D338-H841 IonicContact OD1-NE2 2.91Å
339L92.7Very high89.5Confident0 Ų038 Ų380%021%0.208CC..Hα-helixtrans-65.3-38.7176.3-69163.4000111.6V257 L258 L322 R325 L326 T331 H335 R336 R337 F342 V343V257-L339 HydrophobicContact CG1-CB 4.3Å; V257-L339 HydrophobicContact CG1-CD2 3.46Å; V257-L339 VanDerWaalsContact CG1-CD2 3.46Å; V257-L339 HydrophobicContact CG1-CG 3.63Å; L258-L339 HydrophobicContact CD1-CD2 3.78Å; L258-L339 HydrophobicContact CD2-CD2 4.16Å; L258-L339 HydrophobicContact CG-CD2 3.75Å; L322-L339 HydrophobicContact CD1-CB 4.36Å; L322-L339 HydrophobicContact CD1-CD2 3.54Å; R325-L339 HydrophobicContact CB-CD1 4.05Å; R325-L339 HydrophobicContact CG-CD1 3.66Å; L326-L339 HydrophobicContact CD1-CB 4.38Å; L326-L339 HydrophobicContact CD2-CB 3.42Å; L326-L339 VanDerWaalsContact CD2-CB 3.42Å; L326-L339 HydrophobicContact CD2-CD1 4.44Å; L326-L339 HydrophobicContact CG-CB 3.78Å; L326-L339 HydrophobicContact CG-CD1 4.37Å; T331-L339 HydrophobicContact CG2-CD1 4.23Å; H335-L339 WeakPolarHBondContact O-CB 3.23Å; H335-L339 VanDerWaalsContact O-CG 3.26Å; H335-L339 WeakPolarHBondContact O-CG 3.28Å; H335-L339 PolarHBondContact O-N 3.31Å; R336-L339 PolarHBondContact O-N 3.37Å; R337-L339 VanDerWaalsContact C-N 3.33Å; R337-L339 PolarHBondContact O-N 3.47Å; L339-F342 WeakPolarHBondContact O-CB 3.5Å; L339-F342 PolarHBondContact O-N 3.35Å; L339-V343 WeakPolarHBondContact O-CG2 3.27Å; L339-V343 PolarHBondContact O-N 3.46Å
340S92.4Very high89.2Confident0 Ų033.1 Ų33.10%017%0.168CC..Hα-helixtrans-67.8-43.1179.6-55.30000110.8R336 R337 F342 V343 K344 L375R336-S340 WeakPolarHBondContact O-CB 3.36Å; R336-S340 PolarHBondContact O-N 3.14Å; R336-S340 PolarHBondContact O-OG 3.07Å; R337-S340 PolarHBondContact O-N 3.35Å; R337-S340 VanDerWaalsContact O-N 3.16Å; S340-F342 VanDerWaalsContact C-N 3.32Å; S340-F342 PolarHBondContact O-N 3.31Å; S340-V343 PolarHBondContact O-N 2.91Å; S340-K344 WeakPolarHBondContact O-CB 3.46Å; S340-K344 PolarHBondContact O-N 3.37Å; S340-L375 WeakPolarHBondContact OG-CD1 3.43Å; S340-L375 WeakPolarHBondContact OG-CD2 3.35Å
341L90.8Very high88.8Confident45 Ų4529.8 Ų29.824%0.23615%0.15CC..Hα-helixtrans-65.1-35.9175.1-69.2173.4000112R337 K344 E345 A386 H841R337-L341 HydrophobicContact CG-CD1 4.12Å; R337-L341 WeakPolarHBondContact O-CG 3.4Å; R337-L341 PolarHBondContact O-N 3.28Å; L341-K344 HydrophobicContact CD2-CD 4.19Å; L341-K344 PolarHBondContact O-N 3.26Å; L341-E345 PolarHBondContact O-N 3.49Å; L341-A386 HydrophobicContact CD2-CB 4.24Å; L341-H841 WeakPolarHBondContact CB-NE2 3.37Å; L341-H841 WeakPolarHBondContact CD1-NE2 3.32Å
342F89.9Confident88.3Confident14 Ų1435.2 Ų35.26%0.06117%0.174CC..Hα-helixtrans-61.2-47.7172.4179.3-89.6000111.8L312 F318 L322 D338 L339 S340 E345 F346 I840L312-F342 HydrophobicContact CD1-CZ 4.02Å; L312-F342 HydrophobicContact CD2-CZ 4.48Å; F318-F342 AromaticContact CE1-CE1 3.78Å; F318-F342 HydrophobicContact CE1-CE1 3.78Å; F318-F342 AromaticContact CE1-CZ 3.85Å; F318-F342 HydrophobicContact CE1-CZ 3.85Å; F318-F342 AromaticContact CZ-CE1 3.82Å; F318-F342 HydrophobicContact CZ-CE1 3.82Å; F318-F342 HydrophobicContact CZ-CE2 4.47Å; F318-F342 AromaticContact CZ-CZ 3.63Å; F318-F342 HydrophobicContact CZ-CZ 3.63Å; L322-F342 HydrophobicContact CD1-CD1 4.22Å; L322-F342 HydrophobicContact CD2-CD1 3.88Å; L322-F342 HydrophobicContact CD2-CE1 3.75Å; D338-F342 WeakPolarHBondContact O-CB 3.47Å; D338-F342 PolarHBondContact O-N 3.31Å; L339-F342 WeakPolarHBondContact O-CB 3.5Å; L339-F342 PolarHBondContact O-N 3.35Å; S340-F342 VanDerWaalsContact C-N 3.32Å; S340-F342 PolarHBondContact O-N 3.31Å; F342-E345 PolarHBondContact O-N 3.23Å; F342-F346 WeakPolarHBondContact O-CB 3.39Å; F342-F346 PolarHBondContact O-N 3.47Å; F342-I840 HydrophobicContact CD2-CG1 4.26Å; F342-I840 HydrophobicContact CE2-CD1 4.2Å; F342-I840 HydrophobicContact CE2-CG1 3.89Å
343V90.2Very high87.6Confident2 Ų232.1 Ų32.11%0.01216%0.159CC..Hα-helixtrans-65.8-40.4177.9178.80000111.5L322 F323 L326 L339 S340 E345 F346 C347 I390L322-V343 HydrophobicContact CD1-CG2 4.11Å; L322-V343 HydrophobicContact CD2-CG2 3.93Å; L322-V343 HydrophobicContact CG-CG2 4.16Å; F323-V343 HydrophobicContact CZ-CG1 4.47Å; L326-V343 HydrophobicContact CD1-CG2 3.62Å; L339-V343 WeakPolarHBondContact O-CG2 3.27Å; L339-V343 PolarHBondContact O-N 3.46Å; S340-V343 PolarHBondContact O-N 2.91Å; V343-E345 PolarHBondContact O-N 3Å; V343-F346 WeakPolarHBondContact O-CB 3.38Å; V343-F346 PolarHBondContact O-N 3.12Å; V343-C347 PolarHBondContact O-N 3.36Å; V343-C347 PolarHBondContact O-SG 3.36Å; V343-I390 HydrophobicContact CB-CD1 3.86Å; V343-I390 HydrophobicContact CG1-CD1 3.55Å; V343-I390 HydrophobicContact CG1-CG1 3.95Å
344K89.8Confident87Confident46 Ų4634.9 Ų34.920%0.217%0.174CC..Hα-helixtrans-53.9-52.4173166-172.4145.4151.60111.2S340 L341 F346 C347 N348 A386 E389 I390S340-K344 WeakPolarHBondContact O-CB 3.46Å; S340-K344 PolarHBondContact O-N 3.37Å; L341-K344 HydrophobicContact CD2-CD 4.19Å; L341-K344 PolarHBondContact O-N 3.26Å; K344-F346 VanDerWaalsContact C-N 3.26Å; K344-F346 PolarHBondContact O-N 2.88Å; K344-C347 WeakPolarHBondContact O-CB 3.43Å; K344-C347 PolarHBondContact O-N 2.87Å; K344-N348 PolarHBondContact O-N 2.9Å; K344-A386 HydrophobicContact CB-CB 4.28Å; K344-A386 HydrophobicContact CD-CB 4.34Å; K344-E389 HydrophobicContact CD-CB 4.34Å; K344-E389 VanDerWaalsContact CD-CD 3.49Å; K344-E389 HydrophobicContact CD-CG 4.48Å; K344-E389 WeakPolarHBondContact CD-OE2 3.5Å; K344-E389 VanDerWaalsContact CE-CD 3.45Å; K344-E389 WeakPolarHBondContact CE-OE1 3.48Å; K344-E389 WeakPolarHBondContact CE-OE2 3.12Å; K344-E389 HydrophobicContact CG-CB 4.05Å; K344-E389 VanDerWaalsContact CG-OE2 3.3Å; K344-E389 WeakPolarHBondContact CG-OE2 3.18Å; K344-E389 IonicContact NZ-OE1 3.44Å; K344-E389 PolarHBondContact NZ-OE1 3.01Å; K344-E389 IonicContact NZ-OE2 2.66Å; K344-E389 PolarHBondContact NZ-OE2 3.41Å; K344-I390 HydrophobicContact CB-CG1 4.49Å
345E85.1Confident86.4Confident15 Ų1536.3 Ų36.37%0.0718%0.176CC..Hα-helixtrans-62.9-38-179.9-171.962.3-164.900111.2L341 F342 V343 C347 N348 I349 T836L341-E345 PolarHBondContact O-N 3.49Å; F342-E345 PolarHBondContact O-N 3.23Å; V343-E345 PolarHBondContact O-N 3Å; E345-C347 VanDerWaalsContact C-N 3.34Å; E345-C347 PolarHBondContact O-N 3.22Å; E345-N348 PolarHBondContact O-N 2.7Å; E345-I349 HydrophobicContact CG-CD1 3.95Å; E345-I349 HydrophobicContact CG-CG1 4.39Å; E345-I349 VanDerWaalsContact O-CG1 3.3Å; E345-I349 WeakPolarHBondContact O-CG1 3.21Å; E345-I349 PolarHBondContact O-N 2.99Å; E345-T836 PolarHBondContact OE1-OG1 3.22Å; E345-T836 PolarHBondContact OE2-OG1 2.74Å
346F85.2Confident86.1Confident9 Ų937.7 Ų37.74%0.03918%0.181CC..Hα-helixtrans-61.4-42176.4-159.1-142.1000112.1I309 L312 Q313 M319 F342 V343 K344 S350 F359 L363I309-F346 HydrophobicContact CB-CE2 4.25Å; I309-F346 HydrophobicContact CG1-CD2 4.16Å; I309-F346 HydrophobicContact CG1-CE2 3.81Å; I309-F346 HydrophobicContact CG2-CE2 4.3Å; L312-F346 HydrophobicContact CB-CE2 3.93Å; L312-F346 HydrophobicContact CB-CZ 3.7Å; L312-F346 HydrophobicContact CD1-CD2 4.17Å; L312-F346 HydrophobicContact CD1-CE2 3.63Å; L312-F346 HydrophobicContact CD1-CZ 4.15Å; L312-F346 HydrophobicContact CG-CE2 4.45Å; Q313-F346 HydrophobicContact CG-CZ 4.39Å; M319-F346 HydrophobicContact CE-CE1 3.83Å; M319-F346 HydrophobicContact SD-CE1 3.96Å; F342-F346 WeakPolarHBondContact O-CB 3.39Å; F342-F346 PolarHBondContact O-N 3.47Å; V343-F346 WeakPolarHBondContact O-CB 3.38Å; V343-F346 PolarHBondContact O-N 3.12Å; K344-F346 VanDerWaalsContact C-N 3.26Å; K344-F346 PolarHBondContact O-N 2.88Å; F346-S350 WeakPolarHBondContact O-CB 3.42Å; F346-S350 PolarHBondContact O-N 2.87Å; F346-S350 VanDerWaalsContact O-N 3.15Å; F346-F359 HydrophobicContact CB-CZ 4.36Å; F346-F359 HydrophobicContact CD1-CE1 4.38Å; F346-F359 AromaticContact CD1-CE2 3.89Å; F346-F359 HydrophobicContact CD1-CE2 3.89Å; F346-F359 AromaticContact CD1-CZ 3.32Å; F346-F359 HydrophobicContact CD1-CZ 3.32Å; F346-F359 HydrophobicContact CD2-CE2 4.01Å; F346-F359 AromaticContact CD2-CZ 3.82Å; F346-F359 HydrophobicContact CD2-CZ 3.82Å; F346-F359 AromaticContact CE1-CE2 3.44Å; F346-F359 HydrophobicContact CE1-CE2 3.44Å; F346-F359 VanDerWaalsContact CE1-CE2 3.44Å; F346-F359 AromaticContact CE1-CZ 3.37Å; F346-F359 HydrophobicContact CE1-CZ 3.37Å; F346-F359 AromaticContact CE2-CE2 3.61Å; F346-F359 HydrophobicContact CE2-CE2 3.61Å; F346-F359 AromaticContact CE2-CZ 3.89Å; F346-F359 HydrophobicContact CE2-CZ 3.89Å; F346-F359 HydrophobicContact CG-CE2 4.14Å; F346-F359 AromaticContact CG-CZ 3.54Å; F346-F359 HydrophobicContact CG-CZ 3.54Å; F346-F359 AromaticContact CZ-CE2 3.31Å; F346-F359 HydrophobicContact CZ-CE2 3.31Å; F346-F359 AromaticContact CZ-CZ 3.68Å; F346-F359 HydrophobicContact CZ-CZ 3.68Å; F346-F359 WeakPolarHBondContact O-CZ 3.45Å; F346-L363 HydrophobicContact CD1-CD2 4.01Å; F346-L363 HydrophobicContact CE1-CD2 3.97Å
347C86.4Confident85.7Confident0 Ų042.4 Ų42.40%020%0.204CC..Hα-helixtrans-61.3-51.6171.2-69.90000111.4V343 K344 E345 I349 S350 I351 A393V343-C347 PolarHBondContact O-N 3.36Å; V343-C347 PolarHBondContact O-SG 3.36Å; K344-C347 WeakPolarHBondContact O-CB 3.43Å; K344-C347 PolarHBondContact O-N 2.87Å; E345-C347 VanDerWaalsContact C-N 3.34Å; E345-C347 PolarHBondContact O-N 3.22Å; C347-I349 VanDerWaalsContact C-N 3.34Å; C347-I349 PolarHBondContact O-N 3.4Å; C347-S350 PolarHBondContact O-N 3.49Å; C347-S350 VanDerWaalsContact O-N 3.09Å; C347-S350 PolarHBondContact O-OG 2.74Å; C347-I351 VanDerWaalsContact O-CG1 3.27Å; C347-I351 WeakPolarHBondContact O-CG1 3.32Å; C347-I351 PolarHBondContact O-N 3.34Å; C347-A393 HydrophobicContact CB-CB 4.07Å
348N86.1Confident85.3Confident43 Ų4342.4 Ų42.423%0.2321%0.213CC..Hα-helixtrans-57.5-43.4-176.8-74.5-14.4000112.7K344 E345 E389K344-N348 PolarHBondContact O-N 2.9Å; E345-N348 PolarHBondContact O-N 2.7Å; N348-E389 PolarHBondContact ND2-OE2 2.79Å
349I81.4Confident85.1Confident12 Ų1242 Ų426%0.06221%0.211CC..Hα-helixtrans-68.5-42.3177.5-59.3169.3000110.2K305 I309 E345 C347 I351 Q352 T353 I838K305-I349 HydrophobicContact CB-CG2 3.72Å; K305-I349 HydrophobicContact CD-CG2 4.09Å; K305-I349 HydrophobicContact CG-CG2 4.01Å; I309-I349 HydrophobicContact CD1-CB 3.89Å; I309-I349 HydrophobicContact CD1-CG2 3.36Å; I309-I349 HydrophobicContact CG1-CG2 4.24Å; E345-I349 HydrophobicContact CG-CD1 3.95Å; E345-I349 HydrophobicContact CG-CG1 4.39Å; E345-I349 VanDerWaalsContact O-CG1 3.3Å; E345-I349 WeakPolarHBondContact O-CG1 3.21Å; E345-I349 PolarHBondContact O-N 2.99Å; C347-I349 VanDerWaalsContact C-N 3.34Å; C347-I349 PolarHBondContact O-N 3.4Å; I349-I351 VanDerWaalsContact C-N 3.33Å; I349-I351 PolarHBondContact O-N 3.41Å; I349-Q352 PolarHBondContact O-N 3.41Å; I349-T353 WeakPolarHBondContact O-CG2 3.44Å; I349-I838 HydrophobicContact CD1-CG1 4.13Å
350S80.6Confident84.9Confident0 Ų042 Ų420%021%0.211CC..Hα-helixtrans-64.4-35.1-176.982.40000113.8F346 C347 Q352 T353 K356 F359F346-S350 WeakPolarHBondContact O-CB 3.42Å; F346-S350 PolarHBondContact O-N 2.87Å; F346-S350 VanDerWaalsContact O-N 3.15Å; C347-S350 PolarHBondContact O-N 3.49Å; C347-S350 VanDerWaalsContact O-N 3.09Å; C347-S350 PolarHBondContact O-OG 2.74Å; S350-Q352 PolarHBondContact O-N 2.71Å; S350-T353 WeakPolarHBondContact O-CB 3.49Å; S350-T353 PolarHBondContact O-N 3.16Å; S350-T353 PolarHBondContact O-OG1 3.4Å; S350-K356 WeakPolarHBondContact O-CB 3.4Å; S350-F359 VanDerWaalsContact CB-CG 3.41Å; S350-F359 WeakPolarHBondContact OG-CD1 3.43Å; S350-F359 WeakPolarHBondContact OG-CE1 3.44Å
351I80.3Confident84.8Confident44 Ų4444.1 Ų44.123%0.22623%0.225CC..Hα-helixtrans-65.4-29.1-177.7-71.7165.6000111.4C347 I349 T353 A393 H397C347-I351 VanDerWaalsContact O-CG1 3.27Å; C347-I351 WeakPolarHBondContact O-CG1 3.32Å; C347-I351 PolarHBondContact O-N 3.34Å; I349-I351 VanDerWaalsContact C-N 3.33Å; I349-I351 PolarHBondContact O-N 3.41Å; I351-T353 PolarHBondContact O-N 3.35Å; I351-A393 HydrophobicContact CD1-CB 3.45Å; I351-A393 VanDerWaalsContact CD1-CB 3.45Å; I351-A393 HydrophobicContact CG1-CB 4.33Å; I351-H397 WeakPolarHBondContact CG2-NE2 3.5Å
352Q79Confident84.8Confident121 Ų12143.7 Ų43.757%0.56522%0.222SC*.THydrogen-bonded Turntrans-75.33.2177.2-62.8174.86.500112.9I349 S350I349-Q352 PolarHBondContact O-N 3.41Å; S350-Q352 PolarHBondContact O-N 2.71Å
353T77.9Confident84.8Confident18 Ų1843 Ų4311%0.1122%0.219CC..SBendtrans-115.7153.7-174.780.40000113.2M306 I349 S350 I351 Q355 K356M306-T353 HydrophobicContact CE-CG2 3.44Å; M306-T353 VanDerWaalsContact CE-CG2 3.44Å; I349-T353 WeakPolarHBondContact O-CG2 3.44Å; S350-T353 WeakPolarHBondContact O-CB 3.49Å; S350-T353 PolarHBondContact O-N 3.16Å; S350-T353 PolarHBondContact O-OG1 3.4Å; I351-T353 PolarHBondContact O-N 3.35Å; T353-Q355 PolarHBondContact O-N 3.2Å; T353-Q355 VanDerWaalsContact O-N 3.1Å; T353-Q355 PolarHBondContact OG1-N 3.1Å; T353-K356 WeakPolarHBondContact O-CB 3.44Å; T353-K356 PolarHBondContact O-N 3.16Å; T353-K356 PolarHBondContact OG1-N 2.91Å
354D79.1Confident84.9Confident153 Ų15345.6 Ų45.682%0.81823%0.232SC*.THydrogen-bonded Turntrans-64-12.1171.5-63.7-28.4000113.2
355Q77.9Confident84.9Confident105 Ų10550.7 Ų50.749%0.49126%0.256SS..THydrogen-bonded Turntrans-95.35.8-180-61.3-61.5-40.800113.4M306 T353 E357 S358 F359M306-Q355 HydrophobicContact CE-CB 4.42Å; M306-Q355 HydrophobicContact CE-CG 4.14Å; M306-Q355 HydrophobicContact SD-CG 4.49Å; T353-Q355 PolarHBondContact O-N 3.2Å; T353-Q355 VanDerWaalsContact O-N 3.1Å; T353-Q355 PolarHBondContact OG1-N 3.1Å; Q355-E357 VanDerWaalsContact C-N 3.32Å; Q355-E357 PolarHBondContact O-N 3.25Å; Q355-S358 PolarHBondContact O-N 3.44Å; Q355-S358 VanDerWaalsContact O-N 3.11Å; Q355-S358 PolarHBondContact O-OG 2.8Å; Q355-F359 PolarHBondContact O-N 2.8Å; Q355-F359 VanDerWaalsContact O-N 3.09Å
356K84.5Confident85.1Confident71 Ų7151.2 Ų51.231%0.30926%0.259SS..Hα-helixtrans-50.1-43.2-173.565-173179.9-177.40114.8S350 T353 F359 L360S350-K356 WeakPolarHBondContact O-CB 3.4Å; T353-K356 WeakPolarHBondContact O-CB 3.44Å; T353-K356 PolarHBondContact O-N 3.16Å; T353-K356 PolarHBondContact OG1-N 2.91Å; K356-F359 PolarHBondContact O-N 3.18Å; K356-L360 WeakPolarHBondContact O-CG 3.39Å; K356-L360 PolarHBondContact O-N 2.88Å
357E85.3Confident85.4Confident123 Ų12351.7 Ų51.758%0.57527%0.266SS*.Hα-helixtrans-67.5-40.6-178.3-69.3-177.3-176.500112.6Q355 F359 S361 Q398Q355-E357 VanDerWaalsContact C-N 3.32Å; Q355-E357 PolarHBondContact O-N 3.25Å; E357-F359 VanDerWaalsContact C-N 3.29Å; E357-F359 PolarHBondContact O-N 3.09Å; E357-S361 WeakPolarHBondContact O-CB 3.39Å; E357-S361 PolarHBondContact O-N 3.14Å; E357-S361 PolarHBondContact O-OG 2.85Å; E357-Q398 PolarHBondContact O-NE2 3.4Å
358S86Confident85.7Confident58 Ų5851.7 Ų51.741%0.40627%0.266SS..Hα-helixtrans-64.9-38.917775.20000110.9Q355 S361 F362Q355-S358 PolarHBondContact O-N 3.44Å; Q355-S358 VanDerWaalsContact O-N 3.11Å; Q355-S358 PolarHBondContact O-OG 2.8Å; S358-S361 PolarHBondContact O-N 3.37Å; S358-F362 PolarHBondContact O-N 2.96Å
359F86.1Confident86Confident3 Ų349.7 Ų49.71%0.01326%0.256CS..Hα-helixtrans-69.1-47.8179.2178.7-84.5000112.4I309 Q313 F346 S350 Q355 K356 E357 S361 F362 L363I309-F359 HydrophobicContact CG2-CD2 3.63Å; I309-F359 HydrophobicContact CG2-CE2 3.67Å; Q313-F359 HydrophobicContact CG-CD2 4Å; Q313-F359 HydrophobicContact CG-CE2 4.16Å; F346-F359 HydrophobicContact CB-CZ 4.36Å; F346-F359 HydrophobicContact CD1-CE1 4.38Å; F346-F359 AromaticContact CD1-CE2 3.89Å; F346-F359 HydrophobicContact CD1-CE2 3.89Å; F346-F359 AromaticContact CD1-CZ 3.32Å; F346-F359 HydrophobicContact CD1-CZ 3.32Å; F346-F359 HydrophobicContact CD2-CE2 4.01Å; F346-F359 AromaticContact CD2-CZ 3.82Å; F346-F359 HydrophobicContact CD2-CZ 3.82Å; F346-F359 AromaticContact CE1-CE2 3.44Å; F346-F359 HydrophobicContact CE1-CE2 3.44Å; F346-F359 VanDerWaalsContact CE1-CE2 3.44Å; F346-F359 AromaticContact CE1-CZ 3.37Å; F346-F359 HydrophobicContact CE1-CZ 3.37Å; F346-F359 AromaticContact CE2-CE2 3.61Å; F346-F359 HydrophobicContact CE2-CE2 3.61Å; F346-F359 AromaticContact CE2-CZ 3.89Å; F346-F359 HydrophobicContact CE2-CZ 3.89Å; F346-F359 HydrophobicContact CG-CE2 4.14Å; F346-F359 AromaticContact CG-CZ 3.54Å; F346-F359 HydrophobicContact CG-CZ 3.54Å; F346-F359 AromaticContact CZ-CE2 3.31Å; F346-F359 HydrophobicContact CZ-CE2 3.31Å; F346-F359 AromaticContact CZ-CZ 3.68Å; F346-F359 HydrophobicContact CZ-CZ 3.68Å; F346-F359 WeakPolarHBondContact O-CZ 3.45Å; S350-F359 VanDerWaalsContact CB-CG 3.41Å; S350-F359 WeakPolarHBondContact OG-CD1 3.43Å; S350-F359 WeakPolarHBondContact OG-CE1 3.44Å; Q355-F359 PolarHBondContact O-N 2.8Å; Q355-F359 VanDerWaalsContact O-N 3.09Å; K356-F359 PolarHBondContact O-N 3.18Å; E357-F359 VanDerWaalsContact C-N 3.29Å; E357-F359 PolarHBondContact O-N 3.09Å; F359-S361 VanDerWaalsContact C-N 3.26Å; F359-S361 PolarHBondContact O-N 3.37Å; F359-F362 WeakPolarHBondContact O-CA 3.43Å; F359-F362 WeakPolarHBondContact O-CB 3.22Å; F359-F362 PolarHBondContact O-N 2.98Å; F359-L363 HydrophobicContact CD1-CD1 3.98Å; F359-L363 HydrophobicContact CD1-CG 4.06Å; F359-L363 HydrophobicContact CE1-CD1 3.26Å; F359-L363 HydrophobicContact CE1-CD2 4.29Å; F359-L363 HydrophobicContact CE1-CG 3.63Å; F359-L363 HydrophobicContact CZ-CD1 3.89Å; F359-L363 HydrophobicContact CZ-CD2 4.21Å; F359-L363 HydrophobicContact CZ-CG 4.05Å; F359-L363 PolarHBondContact O-N 3.22Å
360L89.8Confident86.5Confident0 Ų054.5 Ų54.50%027%0.273CS..Hα-helixtrans-61-39.5176-69.7174.9000111K356 F362 L363 L364 A393 F394 H397 Q398K356-L360 WeakPolarHBondContact O-CG 3.39Å; K356-L360 PolarHBondContact O-N 2.88Å; L360-F362 VanDerWaalsContact C-N 3.28Å; L360-F362 PolarHBondContact O-N 2.98Å; L360-L363 PolarHBondContact O-N 3.37Å; L360-L364 WeakPolarHBondContact O-CB 3.1Å; L360-L364 PolarHBondContact O-N 3.48Å; L360-A393 WeakPolarHBondContact CD1-O 3.26Å; L360-A393 HydrophobicContact CD2-CB 4.15Å; L360-F394 HydrophobicContact CB-CD1 4.41Å; L360-F394 HydrophobicContact CB-CE1 4.04Å; L360-F394 HydrophobicContact CD2-CD1 4.35Å; L360-F394 HydrophobicContact CD2-CE1 4.15Å; L360-F394 HydrophobicContact CD2-CE2 4.36Å; L360-F394 HydrophobicContact CD2-CZ 4.14Å; L360-F394 WeakPolarHBondContact O-CE1 3.41Å; L360-H397 HydrophobicContact CD1-CB 3.7Å; L360-Q398 HydrophobicContact CD1-CG 4.41Å
361S90Very high87Confident44 Ų4454.6 Ų54.631%0.30827%0.274SS..Hα-helixtrans-60.3-37.8173.6-56.90000112.4E357 S358 F359 L364 Q365E357-S361 WeakPolarHBondContact O-CB 3.39Å; E357-S361 PolarHBondContact O-N 3.14Å; E357-S361 PolarHBondContact O-OG 2.85Å; S358-S361 PolarHBondContact O-N 3.37Å; F359-S361 VanDerWaalsContact C-N 3.26Å; F359-S361 PolarHBondContact O-N 3.37Å; S361-L364 WeakPolarHBondContact O-CB 3.46Å; S361-Q365 WeakPolarHBondContact O-CG 3.48Å; S361-Q365 PolarHBondContact O-N 3.45Å
362F89.7Confident87.7Confident37 Ų3752.5 Ų52.516%0.16226%0.263CS..Hα-helixtrans-69-46.2175.8178.5-105.7000112.2Q313 M319 S358 F359 L360 L364 Q365 H366Q313-F362 HydrophobicContact CB-CD1 4.44Å; Q313-F362 HydrophobicContact CB-CE1 4.12Å; Q313-F362 HydrophobicContact CB-CZ 4.49Å; Q313-F362 HydrophobicContact CG-CD1 4.03Å; Q313-F362 HydrophobicContact CG-CE1 4.06Å; Q313-F362 WeakPolarHBondContact O-CZ 3.15Å; M319-F362 HydrophobicContact CB-CE1 4.45Å; M319-F362 HydrophobicContact CB-CZ 4.37Å; M319-F362 HydrophobicContact CE-CD1 4.18Å; M319-F362 HydrophobicContact CE-CE1 3.66Å; M319-F362 HydrophobicContact CG-CE1 3.73Å; M319-F362 HydrophobicContact CG-CZ 3.92Å; M319-F362 HydrophobicContact SD-CE1 4.28Å; S358-F362 PolarHBondContact O-N 2.96Å; F359-F362 WeakPolarHBondContact O-CA 3.43Å; F359-F362 WeakPolarHBondContact O-CB 3.22Å; F359-F362 PolarHBondContact O-N 2.98Å; L360-F362 VanDerWaalsContact C-N 3.28Å; L360-F362 PolarHBondContact O-N 2.98Å; F362-L364 VanDerWaalsContact C-N 3.27Å; F362-L364 PolarHBondContact O-N 3.39Å; F362-Q365 WeakPolarHBondContact O-CB 3.44Å; F362-Q365 PolarHBondContact O-N 3.17Å; F362-Q365 VanDerWaalsContact O-N 3.14Å; F362-H366 AromaticContact CE1-CD2 3.88Å; F362-H366 AromaticContact CE1-NE2 3.86Å; F362-H366 AromaticContact CE2-CD2 3.89Å; F362-H366 AromaticContact CE2-NE2 3.34Å; F362-H366 VanDerWaalsContact CE2-NE2 3.34Å; F362-H366 WeakPolarHBondContact CE2-NE2 3.45Å; F362-H366 AromaticContact CZ-CD2 3.7Å; F362-H366 AromaticContact CZ-NE2 3.21Å; F362-H366 WeakPolarHBondContact CZ-NE2 3.38Å; F362-H366 PolarHBondContact O-CD2 2.94Å; F362-H366 PolarHBondContact O-N 3.07Å
363L91.1Very high88.3Confident0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-59.8-38.8174-70.3-167.1000112.3M319 F323 F346 F359 L360 Q365 H366 G367 A368 F394M319-L363 HydrophobicContact CE-CD2 3.4Å; M319-L363 VanDerWaalsContact CE-CD2 3.4Å; F323-L363 HydrophobicContact CE2-CD2 4.06Å; F323-L363 HydrophobicContact CZ-CD2 4.04Å; F346-L363 HydrophobicContact CD1-CD2 4.01Å; F346-L363 HydrophobicContact CE1-CD2 3.97Å; F359-L363 HydrophobicContact CD1-CD1 3.98Å; F359-L363 HydrophobicContact CD1-CG 4.06Å; F359-L363 HydrophobicContact CE1-CD1 3.26Å; F359-L363 HydrophobicContact CE1-CD2 4.29Å; F359-L363 HydrophobicContact CE1-CG 3.63Å; F359-L363 HydrophobicContact CZ-CD1 3.89Å; F359-L363 HydrophobicContact CZ-CD2 4.21Å; F359-L363 HydrophobicContact CZ-CG 4.05Å; F359-L363 PolarHBondContact O-N 3.22Å; L360-L363 PolarHBondContact O-N 3.37Å; L363-Q365 VanDerWaalsContact C-N 3.34Å; L363-Q365 PolarHBondContact O-N 2.98Å; L363-H366 PolarHBondContact O-N 3.28Å; L363-G367 PolarHBondContact O-N 3.31Å; L363-A368 HydrophobicContact CB-CB 3.99Å; L363-A368 VanDerWaalsContact O-CB 3.27Å; L363-A368 WeakPolarHBondContact O-CB 3.48Å; L363-A368 PolarHBondContact O-N 2.83Å; L363-A368 VanDerWaalsContact O-N 3.07Å; L363-F394 HydrophobicContact CB-CZ 3.88Å
364L90.9Very high89Confident55 Ų5548 Ų4829%0.28824%0.243SC..Hα-helixtrans-58.6-45174.6-177.874.6000111.5L360 S361 F362 H366 G367 L369 F394 V401L360-L364 WeakPolarHBondContact O-CB 3.1Å; L360-L364 PolarHBondContact O-N 3.48Å; S361-L364 WeakPolarHBondContact O-CB 3.46Å; F362-L364 VanDerWaalsContact C-N 3.27Å; F362-L364 PolarHBondContact O-N 3.39Å; L364-H366 PolarHBondContact O-N 3.44Å; L364-G367 WeakPolarHBondContact O-CA 3.45Å; L364-G367 PolarHBondContact O-N 3.07Å; L364-L369 HydrophobicContact CD1-CD1 3.57Å; L364-L369 HydrophobicContact CD1-CG 3.91Å; L364-F394 HydrophobicContact CB-CE1 4.13Å; L364-V401 HydrophobicContact CD1-CG1 3.59Å; L364-V401 HydrophobicContact CD2-CG1 3.32Å; L364-V401 HydrophobicContact CG-CG1 4.04Å
365Q90.3Very high89.6Confident153 Ų15340.7 Ų40.772%0.71520%0.204SC*.Hα-helixtrans-60.7-33.3179.2-72.1170.221.900112.6S361 F362 L363 G367S361-Q365 WeakPolarHBondContact O-CG 3.48Å; S361-Q365 PolarHBondContact O-N 3.45Å; F362-Q365 WeakPolarHBondContact O-CB 3.44Å; F362-Q365 PolarHBondContact O-N 3.17Å; F362-Q365 VanDerWaalsContact O-N 3.14Å; L363-Q365 VanDerWaalsContact C-N 3.34Å; L363-Q365 PolarHBondContact O-N 2.98Å; Q365-G367 VanDerWaalsContact C-N 3.26Å; Q365-G367 PolarHBondContact O-N 3.23Å
366H90.3Very high90.4Very high27 Ų2735.7 Ų35.713%0.12518%0.181CC..THydrogen-bonded Turntrans-82-1.2174.1-70.1-74.4000114.2F323 F362 L363 L364F323-H366 WeakPolarHBondContact CB-O 3.41Å; F323-H366 HydrophobicContact CD2-CB 3.36Å; F323-H366 HydrophobicContact CE2-CB 3.67Å; F323-H366 HydrophobicContact CG-CB 4Å; F362-H366 AromaticContact CE1-CD2 3.88Å; F362-H366 AromaticContact CE1-NE2 3.86Å; F362-H366 AromaticContact CE2-CD2 3.89Å; F362-H366 AromaticContact CE2-NE2 3.34Å; F362-H366 VanDerWaalsContact CE2-NE2 3.34Å; F362-H366 WeakPolarHBondContact CE2-NE2 3.45Å; F362-H366 AromaticContact CZ-CD2 3.7Å; F362-H366 AromaticContact CZ-NE2 3.21Å; F362-H366 WeakPolarHBondContact CZ-NE2 3.38Å; F362-H366 PolarHBondContact O-CD2 2.94Å; F362-H366 PolarHBondContact O-N 3.07Å; L363-H366 PolarHBondContact O-N 3.28Å; L364-H366 PolarHBondContact O-N 3.44Å
367G90Very high90.6Very high18 Ų1835.7 Ų35.719%0.18619%0.194CC..THydrogen-bonded Turntrans88.936.6173.400000114.3L363 L364 Q365 L369 R370 T371L363-G367 PolarHBondContact O-N 3.31Å; L364-G367 WeakPolarHBondContact O-CA 3.45Å; L364-G367 PolarHBondContact O-N 3.07Å; Q365-G367 VanDerWaalsContact C-N 3.26Å; Q365-G367 PolarHBondContact O-N 3.23Å; G367-L369 VanDerWaalsContact C-N 3.34Å; G367-L369 PolarHBondContact O-N 3.12Å; G367-R370 PolarHBondContact O-N 2.92Å; G367-T371 PolarHBondContact O-N 3.07Å; G367-T371 PolarHBondContact O-OG1 3.29Å
368A92.7Very high90.9Very high1 Ų131 Ų311%0.00817%0.173CC..Hα-helixtrans-54.6-43.6178.700000114F323 L363 R370 T371 A372 F394F323-A368 HydrophobicContact CE1-CB 3.92Å; F323-A368 HydrophobicContact CZ-CB 4.03Å; L363-A368 HydrophobicContact CB-CB 3.99Å; L363-A368 VanDerWaalsContact O-CB 3.27Å; L363-A368 WeakPolarHBondContact O-CB 3.48Å; L363-A368 PolarHBondContact O-N 2.83Å; L363-A368 VanDerWaalsContact O-N 3.07Å; A368-R370 PolarHBondContact O-N 3.39Å; A368-T371 WeakPolarHBondContact O-CB 3.15Å; A368-T371 PolarHBondContact O-N 3.49Å; A368-A372 PolarHBondContact O-N 2.97Å; A368-F394 HydrophobicContact CB-CE2 3.69Å; A368-F394 HydrophobicContact CB-CZ 3.63Å
369L93.1Very high91Very high1 Ų135.6 Ų35.61%0.00519%0.193CC..Hα-helixtrans-63.1-43177.3-63.8-179.4000112L364 G367 T371 A372 E373 L391 F394 V402 Y405L364-L369 HydrophobicContact CD1-CD1 3.57Å; L364-L369 HydrophobicContact CD1-CG 3.91Å; G367-L369 VanDerWaalsContact C-N 3.34Å; G367-L369 PolarHBondContact O-N 3.12Å; L369-T371 VanDerWaalsContact C-N 3.26Å; L369-T371 PolarHBondContact O-N 2.88Å; L369-A372 WeakPolarHBondContact O-CB 3.49Å; L369-A372 PolarHBondContact O-N 3.29Å; L369-A372 VanDerWaalsContact O-N 3.16Å; L369-E373 PolarHBondContact O-N 3.21Å; L369-L391 HydrophobicContact CD2-CD2 4.01Å; L369-F394 HydrophobicContact CD2-CB 4.13Å; L369-F394 HydrophobicContact CD2-CD1 4.39Å; L369-F394 HydrophobicContact CD2-CD2 3.93Å; L369-F394 HydrophobicContact CD2-CE2 4.49Å; L369-F394 HydrophobicContact CD2-CG 3.89Å; L369-V402 HydrophobicContact CD1-CG2 4.41Å; L369-V402 HydrophobicContact CD2-CG2 4.25Å; L369-Y405 HydrophobicContact CB-CD1 3.91Å; L369-Y405 HydrophobicContact CB-CD2 3.91Å; L369-Y405 HydrophobicContact CB-CE1 3.87Å; L369-Y405 HydrophobicContact CB-CE2 3.85Å; L369-Y405 HydrophobicContact CB-CG 3.96Å; L369-Y405 VanDerWaalsContact CD1-CB 3.44Å; L369-Y405 HydrophobicContact CD1-CD1 3.9Å; L369-Y405 HydrophobicContact CD1-CD2 3.84Å; L369-Y405 HydrophobicContact CD1-CG 3.44Å; L369-Y405 VanDerWaalsContact CD1-CG 3.44Å; L369-Y405 HydrophobicContact CG-CG 4.35Å
370R91.4Very high91.3Very high112 Ų11236.8 Ų36.842%0.42320%0.199SC..Hα-helixtrans-62.7-35.6175.2-177.954.6-179.6173.50.2112.2K327 G367 A368 E373 V374 Y405K327-R370 HydrophobicContact CD-CG 4.25Å; G367-R370 PolarHBondContact O-N 2.92Å; A368-R370 PolarHBondContact O-N 3.39Å; R370-E373 WeakPolarHBondContact CD-OE2 3.04Å; R370-E373 IonicContact CZ-OE2 3.95Å; R370-E373 IonicContact NE-OE2 3.07Å; R370-E373 IonicContact NH1-OE2 2.8Å; R370-E373 PolarHBondContact NH1-OE2 3.12Å; R370-V374 WeakPolarHBondContact O-CG2 3.28Å; R370-V374 PolarHBondContact O-N 2.89Å; R370-Y405 WeakPolarHBondContact CA-OH 3.22Å; R370-Y405 WeakPolarHBondContact CB-OH 3.04Å; R370-Y405 WeakPolarHBondContact CD-OH 3.11Å; R370-Y405 PolarHBondContact N-OH 3.01Å
371T92.6Very high91.2Very high2 Ų243.4 Ų43.41%0.01222%0.224CC..Hα-helixtrans-67.5-44.6173.8-70.10000111.2F323 L326 K327 G367 A368 L369 E373 V374 L375F323-T371 HydrophobicContact CD1-CG2 4.36Å; F323-T371 WeakPolarHBondContact CD1-OG1 3.38Å; L326-T371 HydrophobicContact CB-CG2 3.78Å; L326-T371 HydrophobicContact CD1-CG2 3.96Å; L326-T371 HydrophobicContact CG-CG2 4.31Å; K327-T371 WeakPolarHBondContact CG-OG1 3.45Å; G367-T371 PolarHBondContact O-N 3.07Å; G367-T371 PolarHBondContact O-OG1 3.29Å; A368-T371 WeakPolarHBondContact O-CB 3.15Å; A368-T371 PolarHBondContact O-N 3.49Å; L369-T371 VanDerWaalsContact C-N 3.26Å; L369-T371 PolarHBondContact O-N 2.88Å; T371-E373 VanDerWaalsContact C-N 3.28Å; T371-E373 PolarHBondContact O-N 3.45Å; T371-V374 PolarHBondContact O-N 3.38Å; T371-V374 VanDerWaalsContact O-N 3.07Å; T371-L375 HydrophobicContact CG2-CD1 3.89Å; T371-L375 HydrophobicContact CG2-CG 4.07Å; T371-L375 VanDerWaalsContact O-CG 3.29Å; T371-L375 WeakPolarHBondContact O-CG 3.39Å; T371-L375 PolarHBondContact O-N 2.9Å
372A93.6Very high91.2Very high1 Ų145.3 Ų45.31%0.00823%0.231CC..Hα-helixtrans-56.8-41.4176.100000112.2A368 L369 V374 L375 L376 L391A368-A372 PolarHBondContact O-N 2.97Å; L369-A372 WeakPolarHBondContact O-CB 3.49Å; L369-A372 PolarHBondContact O-N 3.29Å; L369-A372 VanDerWaalsContact O-N 3.16Å; A372-V374 PolarHBondContact O-N 3.48Å; A372-L375 PolarHBondContact O-N 3.38Å; A372-L376 WeakPolarHBondContact O-CB 3.4Å; A372-L376 WeakPolarHBondContact O-CG 3.36Å; A372-L376 PolarHBondContact O-N 2.88Å; A372-L391 HydrophobicContact CB-CD1 4.17Å; A372-L391 HydrophobicContact CB-CD2 3.73Å; A372-L391 HydrophobicContact CB-CG 3.74Å
373E92Very high91.4Very high4 Ų443.6 Ų43.62%0.01922%0.223CC..Hα-helixtrans-57.6-47172.8-68.4-174124.200113.1L369 R370 T371 L375 L376 A377 Y405 E409 R414 L420 L423L369-E373 PolarHBondContact O-N 3.21Å; R370-E373 WeakPolarHBondContact CD-OE2 3.04Å; R370-E373 IonicContact CZ-OE2 3.95Å; R370-E373 IonicContact NE-OE2 3.07Å; R370-E373 IonicContact NH1-OE2 2.8Å; R370-E373 PolarHBondContact NH1-OE2 3.12Å; T371-E373 VanDerWaalsContact C-N 3.28Å; T371-E373 PolarHBondContact O-N 3.45Å; E373-L375 VanDerWaalsContact C-N 3.31Å; E373-L375 PolarHBondContact O-N 3.18Å; E373-L376 PolarHBondContact O-N 3.49Å; E373-A377 PolarHBondContact O-N 3.48Å; E373-Y405 HydrophobicContact CG-CE1 4.46Å; E373-Y405 PolarHBondContact OE2-OH 2.83Å; E373-E409 VanDerWaalsContact OE1-CD 3.26Å; E373-R414 IonicContact OE1-CZ 2.91Å; E373-R414 IonicContact OE1-NH1 3.43Å; E373-R414 PolarHBondContact OE1-NH1 3.1Å; E373-R414 VanDerWaalsContact OE1-NH1 3.08Å; E373-R414 IonicContact OE1-NH2 2.84Å; E373-R414 PolarHBondContact OE1-NH2 3.34Å; E373-R414 IonicContact OE2-NH2 3.77Å; E373-R414 PolarHBondContact OE2-NH2 2.72Å; E373-L420 HydrophobicContact CG-CB 3.81Å; E373-L420 HydrophobicContact CG-CD1 3.7Å; E373-L420 HydrophobicContact CG-CG 4.2Å; E373-L420 WeakPolarHBondContact OE1-CB 3.45Å; E373-L420 PolarHBondContact OE1-N 2.72Å; E373-L423 HydrophobicContact CB-CD1 4.12Å; E373-L423 HydrophobicContact CG-CD1 4.42Å
374V91.7Very high91.5Very high40 Ų4045.1 Ų45.124%0.24223%0.23CC..Hα-helixtrans-63.7-40178.7172.40000110.8K327 R370 T371 A372 A377 I378K327-V374 HydrophobicContact CG-CG2 4.45Å; R370-V374 WeakPolarHBondContact O-CG2 3.28Å; R370-V374 PolarHBondContact O-N 2.89Å; T371-V374 PolarHBondContact O-N 3.38Å; T371-V374 VanDerWaalsContact O-N 3.07Å; A372-V374 PolarHBondContact O-N 3.48Å; V374-A377 PolarHBondContact O-N 3.19Å; V374-I378 WeakPolarHBondContact O-CG1 3.3Å
375L93.6Very high91.5Very high0 Ų044.2 Ų44.20%023%0.228CC..Hα-helixtrans-69.5-40.9179.8-64.1-178.7000112.1L326 R336 S340 T371 A372 E373 A377 I378 I383 A387L326-L375 HydrophobicContact CD2-CD1 4.43Å; L326-L375 HydrophobicContact CD2-CD2 4.18Å; R336-L375 HydrophobicContact CG-CD2 3.93Å; S340-L375 WeakPolarHBondContact OG-CD1 3.43Å; S340-L375 WeakPolarHBondContact OG-CD2 3.35Å; T371-L375 HydrophobicContact CG2-CD1 3.89Å; T371-L375 HydrophobicContact CG2-CG 4.07Å; T371-L375 VanDerWaalsContact O-CG 3.29Å; T371-L375 WeakPolarHBondContact O-CG 3.39Å; T371-L375 PolarHBondContact O-N 2.9Å; A372-L375 PolarHBondContact O-N 3.38Å; E373-L375 VanDerWaalsContact C-N 3.31Å; E373-L375 PolarHBondContact O-N 3.18Å; L375-A377 PolarHBondContact O-N 2.86Å; L375-I378 HydrophobicContact CD2-CD1 4.19Å; L375-I378 WeakPolarHBondContact O-CB 3.32Å; L375-I378 PolarHBondContact O-N 3.36Å; L375-I378 VanDerWaalsContact O-N 3.11Å; L375-I383 HydrophobicContact CB-CG2 3.79Å; L375-I383 HydrophobicContact CD2-CG2 3.78Å; L375-I383 HydrophobicContact CG-CG2 4.24Å; L375-A387 HydrophobicContact CB-CB 3.68Å; L375-A387 HydrophobicContact CD1-CB 4.35Å
376L93.1Very high91.6Very high0 Ų037 Ų370%020%0.195CC..Hα-helixtrans-63.1-26.8175.6-75.3178.5000113.4A372 E373 I378 A387 L388 L391 L420 L423 M424 Q427A372-L376 WeakPolarHBondContact O-CB 3.4Å; A372-L376 WeakPolarHBondContact O-CG 3.36Å; A372-L376 PolarHBondContact O-N 2.88Å; E373-L376 PolarHBondContact O-N 3.49Å; L376-I378 VanDerWaalsContact C-N 3.27Å; L376-I378 PolarHBondContact O-N 2.97Å; L376-A387 HydrophobicContact CD2-CB 3.99Å; L376-A387 HydrophobicContact CG-CB 4.04Å; L376-L388 HydrophobicContact CD2-CD2 3.79Å; L376-L388 HydrophobicContact CD2-CG 4.28Å; L376-L391 HydrophobicContact CD1-CD1 3.54Å; L376-L391 HydrophobicContact CG-CD1 4.35Å; L376-L420 HydrophobicContact CD1-CD1 4.01Å; L376-L423 HydrophobicContact CB-CB 4.46Å; L376-L423 HydrophobicContact CD1-CB 4.29Å; L376-M424 HydrophobicContact CD1-CG 4.3Å; L376-Q427 HydrophobicContact CD2-CG 4.17Å; L376-Q427 PolarHBondContact O-NE2 3.5Å; L376-Q427 VanDerWaalsContact O-NE2 3.12Å
377A90Very high91.8Very high71 Ų7135.7 Ų35.759%0.58719%0.189SC*.THydrogen-bonded Turntrans-77.7-8.7176.900000113.8E373 V374 L375E373-A377 PolarHBondContact O-N 3.48Å; V374-A377 PolarHBondContact O-N 3.19Å; L375-A377 PolarHBondContact O-N 2.86Å
378I91Very high92Very high25 Ų2535 Ų3513%0.12818%0.181CC..SBendtrans-91.3132.8-179.7-63.1164.9000109.6L333 V374 L375 L376 D380 I383 K384L333-I378 HydrophobicContact CD2-CG2 3.82Å; V374-I378 WeakPolarHBondContact O-CG1 3.3Å; L375-I378 HydrophobicContact CD2-CD1 4.19Å; L375-I378 WeakPolarHBondContact O-CB 3.32Å; L375-I378 PolarHBondContact O-N 3.36Å; L375-I378 VanDerWaalsContact O-N 3.11Å; L376-I378 VanDerWaalsContact C-N 3.27Å; L376-I378 PolarHBondContact O-N 2.97Å; I378-D380 HydrophobicContact CG2-CB 4.15Å; I378-D380 PolarHBondContact O-N 3.41Å; I378-I383 HydrophobicContact CB-CG2 4.48Å; I378-I383 HydrophobicContact CD1-CG2 4.38Å; I378-I383 HydrophobicContact CG2-CD1 4.2Å; I378-K384 WeakPolarHBondContact O-CE 3.38Å
379D88.6Confident92Very high154 Ų15436.9 Ų36.982%0.82419%0.189SC*.SBendtrans-81.165.6178.7-159.631.5000112.5K384D379-K384 IonicContact OD1-NZ 3.02Å; D379-K384 PolarHBondContact OD1-NZ 3.3Å
380D91Very high92Very high28 Ų2837 Ų3715%0.1519%0.19CC..  trans-139125.2173.1-176-100.2000110.1R337 I378 D382 I383 K384R337-D380 IonicContact CZ-OD1 3.15Å; R337-D380 IonicContact CZ-OD2 2.95Å; R337-D380 IonicContact NE-OD1 2.65Å; R337-D380 PolarHBondContact NE-OD1 2.8Å; R337-D380 VanDerWaalsContact NE-OD1 3.14Å; R337-D380 IonicContact NE-OD2 3.56Å; R337-D380 IonicContact NH2-OD1 2.7Å; R337-D380 PolarHBondContact NH2-OD1 3.3Å; R337-D380 IonicContact NH2-OD2 3.38Å; R337-D380 PolarHBondContact NH2-OD2 3.31Å; I378-D380 HydrophobicContact CG2-CB 4.15Å; I378-D380 PolarHBondContact O-N 3.41Å; D380-D382 PolarHBondContact O-N 3.43Å; D380-D382 PolarHBondContact OD1-N 3Å; D380-I383 HydrophobicContact CB-CB 4.06Å; D380-I383 HydrophobicContact CB-CD1 3.92Å; D380-I383 HydrophobicContact CB-CG1 4.14Å; D380-I383 PolarHBondContact O-N 2.8Å; D380-I383 WeakPolarHBondContact OD1-CG1 2.84Å; D380-I383 PolarHBondContact OD1-N 3.15Å; D380-I383 VanDerWaalsContact OD1-N 3.07Å; D380-K384 WeakPolarHBondContact O-CG 3.14Å; D380-K384 PolarHBondContact O-N 2.73Å
381R89.2Confident92.2Very high139 Ų13931.7 Ų31.753%0.52517%0.17SC..Hα-helixtrans-60.7-45.6-173.9-172.9-174179.6176.76.3112.1K384 S385 D433R381-K384 PolarHBondContact O-N 2.88Å; R381-S385 WeakPolarHBondContact O-CB 3.19Å; R381-S385 PolarHBondContact O-N 2.92Å; R381-D433 IonicContact CZ-OD2 3.53Å; R381-D433 IonicContact NH2-OD2 3.93Å; R381-D433 PolarHBondContact NH2-OD2 3.44Å
382D89.6Confident92.3Very high84 Ų8434 Ų3445%0.44918%0.181SC..Hα-helixtrans-68.7-39.4-176.3-60.4-32.2000111.2R337 D380 A386R337-D382 HydrophobicContact CG-CB 3.96Å; R337-D382 IonicContact NE-OD2 3.24Å; R337-D382 PolarHBondContact NE-OD2 2.99Å; D380-D382 PolarHBondContact O-N 3.43Å; D380-D382 PolarHBondContact OD1-N 3Å; D382-A386 WeakPolarHBondContact O-CB 3.48Å; D382-A386 PolarHBondContact O-N 2.8Å
383I93.5Very high92.2Very high0 Ų034 Ų340%018%0.181CC..Hα-helixtrans-64.5-44.9175.1-69.1173.2000111.2R336 R337 L375 I378 D380 A386 A387R336-I383 HydrophobicContact CB-CD1 4.36Å; R336-I383 HydrophobicContact CG-CD1 4.44Å; R337-I383 HydrophobicContact CB-CD1 4.23Å; R337-I383 HydrophobicContact CB-CG1 3.91Å; R337-I383 HydrophobicContact CG-CG1 4.14Å; L375-I383 HydrophobicContact CB-CG2 3.79Å; L375-I383 HydrophobicContact CD2-CG2 3.78Å; L375-I383 HydrophobicContact CG-CG2 4.24Å; I378-I383 HydrophobicContact CB-CG2 4.48Å; I378-I383 HydrophobicContact CD1-CG2 4.38Å; I378-I383 HydrophobicContact CG2-CD1 4.2Å; D380-I383 HydrophobicContact CB-CB 4.06Å; D380-I383 HydrophobicContact CB-CD1 3.92Å; D380-I383 HydrophobicContact CB-CG1 4.14Å; D380-I383 PolarHBondContact O-N 2.8Å; D380-I383 WeakPolarHBondContact OD1-CG1 2.84Å; D380-I383 PolarHBondContact OD1-N 3.15Å; D380-I383 VanDerWaalsContact OD1-N 3.07Å; I383-A386 PolarHBondContact O-N 3.02Å; I383-A387 WeakPolarHBondContact O-CB 3.4Å; I383-A387 PolarHBondContact O-N 3.1Å
384K92.7Very high92.3Very high32 Ų3233.9 Ų33.914%0.13918%0.18CC..Hα-helixtrans-61.5-48.4177.4-74.8177178.1-178.30111.1I378 D379 D380 R381 A386 A387 L388 Q427I378-K384 WeakPolarHBondContact O-CE 3.38Å; D379-K384 IonicContact OD1-NZ 3.02Å; D379-K384 PolarHBondContact OD1-NZ 3.3Å; D380-K384 WeakPolarHBondContact O-CG 3.14Å; D380-K384 PolarHBondContact O-N 2.73Å; R381-K384 PolarHBondContact O-N 2.88Å; K384-A386 VanDerWaalsContact C-N 3.33Å; K384-A386 PolarHBondContact O-N 2.65Å; K384-A387 CarbonylContact O-C 3.6Å; K384-A387 WeakPolarHBondContact O-CA 3.33Å; K384-A387 WeakPolarHBondContact O-CB 3.45Å; K384-A387 PolarHBondContact O-N 3.3Å; K384-L388 WeakPolarHBondContact O-CG 3.36Å; K384-L388 PolarHBondContact O-N 3.05Å; K384-Q427 VanDerWaalsContact CE-OE1 3.32Å
385S91.4Very high92.4Very high36 Ų3632 Ų3225%0.25217%0.169SC..Hα-helixtrans-57.3-44.81771770000111.8R381 A387 L388 E389R381-S385 WeakPolarHBondContact O-CB 3.19Å; R381-S385 PolarHBondContact O-N 2.92Å; S385-A387 VanDerWaalsContact C-N 3.33Å; S385-A387 PolarHBondContact O-N 2.74Å; S385-L388 PolarHBondContact O-N 2.88Å; S385-E389 PolarHBondContact O-N 2.87Å; S385-E389 VanDerWaalsContact O-N 3.1Å
386A92.4Very high92.4Very high1 Ų135.3 Ų35.31%0.00818%0.184CC..Hα-helixtrans-61.6-39.4173.800000112.7L341 K344 D382 I383 K384 L388 E389 I390L341-A386 HydrophobicContact CD2-CB 4.24Å; K344-A386 HydrophobicContact CB-CB 4.28Å; K344-A386 HydrophobicContact CD-CB 4.34Å; D382-A386 WeakPolarHBondContact O-CB 3.48Å; D382-A386 PolarHBondContact O-N 2.8Å; I383-A386 PolarHBondContact O-N 3.02Å; K384-A386 VanDerWaalsContact C-N 3.33Å; K384-A386 PolarHBondContact O-N 2.65Å; A386-L388 VanDerWaalsContact C-N 3.35Å; A386-E389 PolarHBondContact O-N 3.27Å; A386-I390 WeakPolarHBondContact O-CD1 3.33Å; A386-I390 VanDerWaalsContact O-CG1 3.24Å; A386-I390 WeakPolarHBondContact O-CG1 3.34Å; A386-I390 PolarHBondContact O-N 3.24Å
387A94.9Very high92.2Very high0 Ų037.6 Ų37.60%020%0.195CC..Hα-helixtrans-65.4-36.5175.900000112.6L375 L376 I383 K384 S385 I390 L391L375-A387 HydrophobicContact CB-CB 3.68Å; L375-A387 HydrophobicContact CD1-CB 4.35Å; L376-A387 HydrophobicContact CD2-CB 3.99Å; L376-A387 HydrophobicContact CG-CB 4.04Å; I383-A387 WeakPolarHBondContact O-CB 3.4Å; I383-A387 PolarHBondContact O-N 3.1Å; K384-A387 CarbonylContact O-C 3.6Å; K384-A387 WeakPolarHBondContact O-CA 3.33Å; K384-A387 WeakPolarHBondContact O-CB 3.45Å; K384-A387 PolarHBondContact O-N 3.3Å; S385-A387 VanDerWaalsContact C-N 3.33Å; S385-A387 PolarHBondContact O-N 2.74Å; A387-I390 PolarHBondContact O-N 3.14Å; A387-L391 WeakPolarHBondContact O-CG 3.35Å; A387-L391 PolarHBondContact O-N 2.8Å
388L94.4Very high92.2Very high3 Ų335.3 Ų35.32%0.01617%0.172CC..Hα-helixtrans-64.9-44.1175.5-65.4-179.8000111.7L376 K384 S385 A386 I390 L391 Q392 D438 L441 L442 M445L376-L388 HydrophobicContact CD2-CD2 3.79Å; L376-L388 HydrophobicContact CD2-CG 4.28Å; K384-L388 WeakPolarHBondContact O-CG 3.36Å; K384-L388 PolarHBondContact O-N 3.05Å; S385-L388 PolarHBondContact O-N 2.88Å; A386-L388 VanDerWaalsContact C-N 3.35Å; L388-I390 VanDerWaalsContact C-N 3.35Å; L388-I390 PolarHBondContact O-N 3.41Å; L388-L391 PolarHBondContact O-N 3.14Å; L388-Q392 WeakPolarHBondContact O-CB 3.46Å; L388-Q392 PolarHBondContact O-N 3.48Å; L388-D438 HydrophobicContact CD1-CB 3.74Å; L388-L441 HydrophobicContact CB-CD2 4.28Å; L388-L442 HydrophobicContact CD1-CD1 4.27Å; L388-L442 HydrophobicContact CD1-CG 4.42Å; L388-L442 HydrophobicContact CD2-CD1 4.13Å; L388-L442 HydrophobicContact CD2-CD2 3.56Å; L388-L442 HydrophobicContact CD2-CG 3.88Å; L388-M445 HydrophobicContact CD2-CE 4.07Å
389E92.2Very high92.2Very high41 Ų4135.4 Ų35.419%0.19217%0.174CC..Hα-helixtrans-65.2-37.6176.1-73.6-179-128.800112.3K344 N348 S385 A386 Q392 A393K344-E389 HydrophobicContact CD-CB 4.34Å; K344-E389 VanDerWaalsContact CD-CD 3.49Å; K344-E389 HydrophobicContact CD-CG 4.48Å; K344-E389 WeakPolarHBondContact CD-OE2 3.5Å; K344-E389 VanDerWaalsContact CE-CD 3.45Å; K344-E389 WeakPolarHBondContact CE-OE1 3.48Å; K344-E389 WeakPolarHBondContact CE-OE2 3.12Å; K344-E389 HydrophobicContact CG-CB 4.05Å; K344-E389 VanDerWaalsContact CG-OE2 3.3Å; K344-E389 WeakPolarHBondContact CG-OE2 3.18Å; K344-E389 IonicContact NZ-OE1 3.44Å; K344-E389 PolarHBondContact NZ-OE1 3.01Å; K344-E389 IonicContact NZ-OE2 2.66Å; K344-E389 PolarHBondContact NZ-OE2 3.41Å; N348-E389 PolarHBondContact ND2-OE2 2.79Å; S385-E389 PolarHBondContact O-N 2.87Å; S385-E389 VanDerWaalsContact O-N 3.1Å; A386-E389 PolarHBondContact O-N 3.27Å; E389-Q392 PolarHBondContact O-N 3.44Å; E389-A393 PolarHBondContact O-N 3.07Å; E389-A393 VanDerWaalsContact O-N 3.14Å
390I93.1Very high92.3Very high4 Ų429.6 Ų29.62%0.02115%0.146CC..Hα-helixtrans-61.3-46.1172.1-66.1163.9000110V343 K344 A386 A387 L388 A393 F394V343-I390 HydrophobicContact CB-CD1 3.86Å; V343-I390 HydrophobicContact CG1-CD1 3.55Å; V343-I390 HydrophobicContact CG1-CG1 3.95Å; K344-I390 HydrophobicContact CB-CG1 4.49Å; A386-I390 WeakPolarHBondContact O-CD1 3.33Å; A386-I390 VanDerWaalsContact O-CG1 3.24Å; A386-I390 WeakPolarHBondContact O-CG1 3.34Å; A386-I390 PolarHBondContact O-N 3.24Å; A387-I390 PolarHBondContact O-N 3.14Å; L388-I390 VanDerWaalsContact C-N 3.35Å; L388-I390 PolarHBondContact O-N 3.41Å; I390-A393 WeakPolarHBondContact O-CB 3.24Å; I390-A393 PolarHBondContact O-N 3.1Å; I390-F394 HydrophobicContact CG2-CD2 4.41Å; I390-F394 HydrophobicContact CG2-CE2 4.16Å; I390-F394 VanDerWaalsContact O-CD2 3.26Å; I390-F394 WeakPolarHBondContact O-CD2 3.46Å
391L95Very high92.3Very high0 Ų029.6 Ų29.60%015%0.147CC..Hα-helixtrans-64.8-40.3178.2-74.9168.7000112.5L369 A372 L376 A387 L388 A393 F394 I395 L420 M424 M445L369-L391 HydrophobicContact CD2-CD2 4.01Å; A372-L391 HydrophobicContact CB-CD1 4.17Å; A372-L391 HydrophobicContact CB-CD2 3.73Å; A372-L391 HydrophobicContact CB-CG 3.74Å; L376-L391 HydrophobicContact CD1-CD1 3.54Å; L376-L391 HydrophobicContact CG-CD1 4.35Å; A387-L391 WeakPolarHBondContact O-CG 3.35Å; A387-L391 PolarHBondContact O-N 2.8Å; L388-L391 PolarHBondContact O-N 3.14Å; L391-A393 VanDerWaalsContact C-N 3.28Å; L391-A393 PolarHBondContact O-N 3.45Å; L391-F394 PolarHBondContact O-N 3.19Å; L391-F394 VanDerWaalsContact O-N 3.09Å; L391-I395 HydrophobicContact CB-CD1 4.4Å; L391-I395 WeakPolarHBondContact O-CG1 3.42Å; L391-I395 PolarHBondContact O-N 3.39Å; L391-L420 HydrophobicContact CD1-CD1 3.95Å; L391-L420 HydrophobicContact CD2-CD1 3.96Å; L391-L420 HydrophobicContact CD2-CD2 3.98Å; L391-M424 HydrophobicContact CD1-CG 4.35Å; L391-M445 HydrophobicContact CB-SD 4.36Å
392Q94.8Very high92.5Very high52 Ų5223 Ų2324%0.24312%0.122CC..Hα-helixtrans-55.6-45.6176.9-176.8-179.53.300110.8L388 E389 F394 I395 E396 L441 M445L388-Q392 WeakPolarHBondContact O-CB 3.46Å; L388-Q392 PolarHBondContact O-N 3.48Å; E389-Q392 PolarHBondContact O-N 3.44Å; Q392-F394 VanDerWaalsContact C-N 3.27Å; Q392-F394 PolarHBondContact O-N 3.33Å; Q392-I395 PolarHBondContact O-N 3.02Å; Q392-E396 HydrophobicContact CG-CG 4.02Å; Q392-E396 WeakPolarHBondContact CG-OE1 3.4Å; Q392-E396 PolarHBondContact NE2-OE1 2.92Å; Q392-E396 WeakPolarHBondContact O-CB 3.37Å; Q392-E396 WeakPolarHBondContact O-CG 3.46Å; Q392-E396 PolarHBondContact O-N 2.95Å; Q392-L441 HydrophobicContact CG-CD1 4.34Å; Q392-M445 HydrophobicContact CB-SD 3.88Å
393A92.6Very high92.6Very high1 Ų119.2 Ų19.21%0.00810%0.101CC..Hα-helixtrans-54.1-41.3176.300000113.1C347 I351 L360 E389 I390 L391 H397C347-A393 HydrophobicContact CB-CB 4.07Å; I351-A393 HydrophobicContact CD1-CB 3.45Å; I351-A393 VanDerWaalsContact CD1-CB 3.45Å; I351-A393 HydrophobicContact CG1-CB 4.33Å; L360-A393 WeakPolarHBondContact CD1-O 3.26Å; L360-A393 HydrophobicContact CD2-CB 4.15Å; E389-A393 PolarHBondContact O-N 3.07Å; E389-A393 VanDerWaalsContact O-N 3.14Å; I390-A393 WeakPolarHBondContact O-CB 3.24Å; I390-A393 PolarHBondContact O-N 3.1Å; L391-A393 VanDerWaalsContact C-N 3.28Å; L391-A393 PolarHBondContact O-N 3.45Å; A393-H397 WeakPolarHBondContact O-CB 3.15Å; A393-H397 PolarHBondContact O-CD2 2.9Å
394F93.9Very high92.3Very high0 Ų024.7 Ų24.70%013%0.127CC..Hα-helixtrans-76.6-41.2177.3-75.2-81.7000112.6L360 L363 L364 A368 L369 I390 L391 Q392 Q398 V402L360-F394 HydrophobicContact CB-CD1 4.41Å; L360-F394 HydrophobicContact CB-CE1 4.04Å; L360-F394 HydrophobicContact CD2-CD1 4.35Å; L360-F394 HydrophobicContact CD2-CE1 4.15Å; L360-F394 HydrophobicContact CD2-CE2 4.36Å; L360-F394 HydrophobicContact CD2-CZ 4.14Å; L360-F394 WeakPolarHBondContact O-CE1 3.41Å; L363-F394 HydrophobicContact CB-CZ 3.88Å; L364-F394 HydrophobicContact CB-CE1 4.13Å; A368-F394 HydrophobicContact CB-CE2 3.69Å; A368-F394 HydrophobicContact CB-CZ 3.63Å; L369-F394 HydrophobicContact CD2-CB 4.13Å; L369-F394 HydrophobicContact CD2-CD1 4.39Å; L369-F394 HydrophobicContact CD2-CD2 3.93Å; L369-F394 HydrophobicContact CD2-CE2 4.49Å; L369-F394 HydrophobicContact CD2-CG 3.89Å; I390-F394 HydrophobicContact CG2-CD2 4.41Å; I390-F394 HydrophobicContact CG2-CE2 4.16Å; I390-F394 VanDerWaalsContact O-CD2 3.26Å; I390-F394 WeakPolarHBondContact O-CD2 3.46Å; L391-F394 PolarHBondContact O-N 3.19Å; L391-F394 VanDerWaalsContact O-N 3.09Å; Q392-F394 VanDerWaalsContact C-N 3.27Å; Q392-F394 PolarHBondContact O-N 3.33Å; F394-Q398 CarbonylContact O-C 3.05Å; F394-Q398 VanDerWaalsContact O-CA 3.28Å; F394-Q398 WeakPolarHBondContact O-CA 3.22Å; F394-Q398 PolarHBondContact O-N 3.16Å; F394-V402 HydrophobicContact CB-CG2 3.65Å
395I94.4Very high92.2Very high0 Ų025.3 Ų25.30%013%0.129CC..Hα-helixtrans-71.2-39.7-174.7-68172.7000111.3L391 Q392 P399 V402 M424 M445 I448 L449L391-I395 HydrophobicContact CB-CD1 4.4Å; L391-I395 WeakPolarHBondContact O-CG1 3.42Å; L391-I395 PolarHBondContact O-N 3.39Å; Q392-I395 PolarHBondContact O-N 3.02Å; I395-P399 WeakPolarHBondContact O-CB 3.47Å; I395-P399 WeakPolarHBondContact O-CD 3.44Å; I395-V402 HydrophobicContact CG1-CB 4.47Å; I395-V402 HydrophobicContact CG1-CG1 4.23Å; I395-V402 HydrophobicContact CG1-CG2 4.04Å; I395-M424 HydrophobicContact CD1-CE 3.67Å; I395-M424 HydrophobicContact CD1-SD 4.38Å; I395-M445 HydrophobicContact CD1-CB 3.88Å; I395-M445 HydrophobicContact CD1-CG 4.17Å; I395-M445 HydrophobicContact CD1-SD 3.89Å; I395-M445 HydrophobicContact CG2-CB 4.23Å; I395-M445 HydrophobicContact CG2-CG 4.39Å; I395-I448 HydrophobicContact CG2-CB 3.84Å; I395-I448 HydrophobicContact CG2-CD1 4.08Å; I395-I448 HydrophobicContact CG2-CG2 3.77Å; I395-L449 HydrophobicContact CD1-CD1 3.81Å; I395-L449 HydrophobicContact CD1-CG 4.21Å; I395-L449 HydrophobicContact CG1-CD1 4.3Å; I395-L449 HydrophobicContact CG1-CD2 4.17Å; I395-L449 HydrophobicContact CG1-CG 4.29Å; I395-L449 HydrophobicContact CG2-CD2 4.35Å; I395-L449 HydrophobicContact CG2-CG 4.14Å
396E91.9Very high92Very high70 Ų7023.6 Ų23.633%0.32712%0.117SC..Hα-helixtrans-73.4-32.1179.9-70.4-176.2173.200113.2Q392 Y444 I448Q392-E396 HydrophobicContact CG-CG 4.02Å; Q392-E396 WeakPolarHBondContact CG-OE1 3.4Å; Q392-E396 PolarHBondContact NE2-OE1 2.92Å; Q392-E396 WeakPolarHBondContact O-CB 3.37Å; Q392-E396 WeakPolarHBondContact O-CG 3.46Å; Q392-E396 PolarHBondContact O-N 2.95Å; E396-Y444 HydrophobicContact CG-CE1 4.23Å; E396-Y444 WeakPolarHBondContact OE1-CE1 3.43Å; E396-I448 HydrophobicContact CG-CD1 4.32Å
397H90Very high91.5Very high48 Ų4827.5 Ų27.522%0.22213%0.134CC..Hα-helixtrans-107.2-27-173.5-59.5-43.7000114.5I351 L360 A393I351-H397 WeakPolarHBondContact CG2-NE2 3.5Å; L360-H397 HydrophobicContact CD1-CB 3.7Å; A393-H397 WeakPolarHBondContact O-CB 3.15Å; A393-H397 PolarHBondContact O-CD2 2.9Å
398Q89.5Confident90.8Very high23 Ų2336.7 Ų36.711%0.10717%0.168CC..  trans-143.256.6-177.5-64.2-173.8-21.600112.3E357 L360 F394 S400 V401E357-Q398 PolarHBondContact O-NE2 3.4Å; L360-Q398 HydrophobicContact CD1-CG 4.41Å; F394-Q398 CarbonylContact O-C 3.05Å; F394-Q398 VanDerWaalsContact O-CA 3.28Å; F394-Q398 WeakPolarHBondContact O-CA 3.22Å; F394-Q398 PolarHBondContact O-N 3.16Å; Q398-S400 VanDerWaalsContact C-N 3.25Å; Q398-S400 PolarHBondContact O-N 3.43Å; Q398-V401 HydrophobicContact CB-CB 4.21Å; Q398-V401 HydrophobicContact CB-CG2 4.02Å; Q398-V401 WeakPolarHBondContact O-CB 3.3Å; Q398-V401 PolarHBondContact O-N 3.22Å; Q398-V401 VanDerWaalsContact O-N 3.07Å
399P92.1Very high89.6Confident27 Ų2737.6 Ų37.618%0.17517%0.172CC..Hα-helixtrans-60.4-32-174.622.8-33000113.6I395 V401 V402 R403 I448I395-P399 WeakPolarHBondContact O-CB 3.47Å; I395-P399 WeakPolarHBondContact O-CD 3.44Å; P399-V401 VanDerWaalsContact C-N 3.3Å; P399-V401 PolarHBondContact O-N 2.59Å; P399-V402 PolarHBondContact O-N 3.4Å; P399-R403 PolarHBondContact O-N 2.88Å; P399-I448 HydrophobicContact CB-CG2 3.98Å; P399-I448 HydrophobicContact CG-CG2 4.43Å
400S89.9Confident88.1Confident33 Ų3337.8 Ų37.823%0.23118%0.176CC..Hα-helixtrans-62.8-35.3177.558.30000112.9Q398 V402 R403 E404 N457Q398-S400 VanDerWaalsContact C-N 3.25Å; Q398-S400 PolarHBondContact O-N 3.43Å; S400-V402 VanDerWaalsContact C-N 3.34Å; S400-R403 PolarHBondContact O-N 2.99Å; S400-E404 WeakPolarHBondContact O-CB 3.48Å; S400-E404 PolarHBondContact O-N 3.48Å; S400-N457 WeakPolarHBondContact CB-ND2 3.16Å; S400-N457 PolarHBondContact OG-ND2 3.22Å
401V90.4Very high86.6Confident28 Ų2840.1 Ų40.117%0.1720%0.196CC..Hα-helixtrans-65.9-41.2177171.20000110.5L364 Q398 P399 E404 Y405L364-V401 HydrophobicContact CD1-CG1 3.59Å; L364-V401 HydrophobicContact CD2-CG1 3.32Å; L364-V401 HydrophobicContact CG-CG1 4.04Å; Q398-V401 HydrophobicContact CB-CB 4.21Å; Q398-V401 HydrophobicContact CB-CG2 4.02Å; Q398-V401 WeakPolarHBondContact O-CB 3.3Å; Q398-V401 PolarHBondContact O-N 3.22Å; Q398-V401 VanDerWaalsContact O-N 3.07Å; P399-V401 VanDerWaalsContact C-N 3.3Å; P399-V401 PolarHBondContact O-N 2.59Å; V401-E404 PolarHBondContact O-N 3.16Å; V401-Y405 WeakPolarHBondContact O-CB 3.26Å; V401-Y405 PolarHBondContact O-N 2.96Å
402V92.9Very high85.2Confident0 Ų045.6 Ų45.60%023%0.232CC..Hα-helixtrans-66.7-42.5177.2-175.50000110.3L369 F394 I395 P399 S400 Y405 V406 L420 L449L369-V402 HydrophobicContact CD1-CG2 4.41Å; L369-V402 HydrophobicContact CD2-CG2 4.25Å; F394-V402 HydrophobicContact CB-CG2 3.65Å; I395-V402 HydrophobicContact CG1-CB 4.47Å; I395-V402 HydrophobicContact CG1-CG1 4.23Å; I395-V402 HydrophobicContact CG1-CG2 4.04Å; P399-V402 PolarHBondContact O-N 3.4Å; S400-V402 VanDerWaalsContact C-N 3.34Å; V402-Y405 WeakPolarHBondContact O-CB 3.48Å; V402-Y405 PolarHBondContact O-N 3Å; V402-V406 HydrophobicContact CG1-CG2 4.44Å; V402-V406 VanDerWaalsContact O-CG2 3.3Å; V402-V406 WeakPolarHBondContact O-CG2 3.22Å; V402-V406 PolarHBondContact O-N 3.4Å; V402-L420 HydrophobicContact CG1-CD2 4.34Å; V402-L449 HydrophobicContact CB-CD2 3.95Å; V402-L449 HydrophobicContact CG1-CD1 4.35Å; V402-L449 HydrophobicContact CG1-CD2 3.87Å
403R91.7Very high83.8Confident4 Ų452.4 Ų52.42%0.01526%0.261CS..Hα-helixtrans-60.9-45.6174.5-71.5-169.1-67.4-98.7-0.5112.2P399 S400 Y405 V406 F407 L449 N454 E463 F467P399-R403 PolarHBondContact O-N 2.88Å; S400-R403 PolarHBondContact O-N 2.99Å; R403-Y405 VanDerWaalsContact C-N 3.34Å; R403-Y405 PolarHBondContact O-N 3.5Å; R403-V406 PolarHBondContact O-N 2.76Å; R403-F407 VanDerWaalsContact O-CB 3.22Å; R403-F407 WeakPolarHBondContact O-CB 3.29Å; R403-F407 PolarHBondContact O-N 2.92Å; R403-L449 HydrophobicContact CG-CD2 4.16Å; R403-N454 PolarHBondContact NH1-O 3.27Å; R403-N454 PolarHBondContact NH2-O 3.11Å; R403-E463 IonicContact CZ-OE1 2.86Å; R403-E463 IonicContact NE-OE1 2.71Å; R403-E463 PolarHBondContact NE-OE1 3.16Å; R403-E463 IonicContact NH2-OE1 3.95Å; R403-E463 PolarHBondContact NH2-OE1 2.74Å; R403-F467 HydrophobicContact CB-CD2 3.85Å; R403-F467 HydrophobicContact CB-CE2 3.8Å; R403-F467 HydrophobicContact CB-CZ 4.41Å; R403-F467 HydrophobicContact CG-CD1 4.41Å; R403-F467 HydrophobicContact CG-CD2 3.94Å; R403-F467 HydrophobicContact CG-CE1 4.12Å; R403-F467 HydrophobicContact CG-CE2 3.62Å; R403-F467 HydrophobicContact CG-CG 4.32Å; R403-F467 HydrophobicContact CG-CZ 3.71Å
404E88.1Confident83.2Confident115 Ų11554 Ų5454%0.53727%0.267SS..Hα-helixtrans-61.3-43.2175.9-170.8-172160.300111.3S400 V401 F407 R408S400-E404 WeakPolarHBondContact O-CB 3.48Å; S400-E404 PolarHBondContact O-N 3.48Å; V401-E404 PolarHBondContact O-N 3.16Å; E404-F407 PolarHBondContact O-N 2.94Å; E404-R408 WeakPolarHBondContact O-CB 3.36Å; E404-R408 VanDerWaalsContact O-CG 3.28Å; E404-R408 WeakPolarHBondContact O-CG 3.12Å; E404-R408 PolarHBondContact O-N 3.16Å
405Y90Very high82.7Confident45 Ų4560.6 Ų60.618%0.17630%0.296CS..Hα-helixtrans-57.7-54.8175.7177-92.3000111.2L369 R370 E373 V401 V402 R403 F407 R408 E409 L420L369-Y405 HydrophobicContact CB-CD1 3.91Å; L369-Y405 HydrophobicContact CB-CD2 3.91Å; L369-Y405 HydrophobicContact CB-CE1 3.87Å; L369-Y405 HydrophobicContact CB-CE2 3.85Å; L369-Y405 HydrophobicContact CB-CG 3.96Å; L369-Y405 VanDerWaalsContact CD1-CB 3.44Å; L369-Y405 HydrophobicContact CD1-CD1 3.9Å; L369-Y405 HydrophobicContact CD1-CD2 3.84Å; L369-Y405 HydrophobicContact CD1-CG 3.44Å; L369-Y405 VanDerWaalsContact CD1-CG 3.44Å; L369-Y405 HydrophobicContact CG-CG 4.35Å; R370-Y405 WeakPolarHBondContact CA-OH 3.22Å; R370-Y405 WeakPolarHBondContact CB-OH 3.04Å; R370-Y405 WeakPolarHBondContact CD-OH 3.11Å; R370-Y405 PolarHBondContact N-OH 3.01Å; E373-Y405 HydrophobicContact CG-CE1 4.46Å; E373-Y405 PolarHBondContact OE2-OH 2.83Å; V401-Y405 WeakPolarHBondContact O-CB 3.26Å; V401-Y405 PolarHBondContact O-N 2.96Å; V402-Y405 WeakPolarHBondContact O-CB 3.48Å; V402-Y405 PolarHBondContact O-N 3Å; R403-Y405 VanDerWaalsContact C-N 3.34Å; R403-Y405 PolarHBondContact O-N 3.5Å; Y405-F407 VanDerWaalsContact C-N 3.28Å; Y405-F407 PolarHBondContact O-N 2.93Å; Y405-R408 PolarHBondContact O-N 2.9Å; Y405-R408 VanDerWaalsContact O-N 3.1Å; Y405-E409 HydrophobicContact CD1-CG 4.48Å; Y405-E409 HydrophobicContact CE1-CG 4.12Å; Y405-E409 WeakPolarHBondContact CE1-OE1 3.2Å; Y405-E409 WeakPolarHBondContact CE1-OE2 3.16Å; Y405-E409 WeakPolarHBondContact O-CG 3.38Å; Y405-E409 PolarHBondContact O-N 3.32Å; Y405-E409 VanDerWaalsContact O-N 3.14Å; Y405-E409 PolarHBondContact OH-OE1 2.67Å; Y405-L420 HydrophobicContact CD1-CD2 4.16Å; Y405-L420 HydrophobicContact CE1-CD2 4.21Å
406V88.7Confident82.3Confident0 Ų063.9 Ų63.90%031%0.313CS..Hα-helixtrans-61.1-39.2179.8175.40000111.2V402 R403 E409 L420 I421 F470V402-V406 HydrophobicContact CG1-CG2 4.44Å; V402-V406 VanDerWaalsContact O-CG2 3.3Å; V402-V406 WeakPolarHBondContact O-CG2 3.22Å; V402-V406 PolarHBondContact O-N 3.4Å; R403-V406 PolarHBondContact O-N 2.76Å; V406-E409 WeakPolarHBondContact O-CB 3.49Å; V406-E409 PolarHBondContact O-N 3.07Å; V406-L420 HydrophobicContact CG2-CB 4.15Å; V406-L420 HydrophobicContact CG2-CD2 4.11Å; V406-I421 HydrophobicContact CB-CD1 4.45Å; V406-I421 HydrophobicContact CG1-CD1 3.77Å; V406-I421 HydrophobicContact CG1-CG1 3.95Å; V406-I421 HydrophobicContact CG2-CD1 4.31Å; V406-I421 HydrophobicContact CG2-CG1 4.04Å; V406-F470 HydrophobicContact CG1-CD1 4.42Å; V406-F470 HydrophobicContact CG1-CE1 3.4Å; V406-F470 VanDerWaalsContact CG1-CE1 3.4Å; V406-F470 HydrophobicContact CG1-CZ 3.57Å
407F81.2Confident82Confident84 Ų8466 Ų6637%0.36833%0.327SS..Hα-helixtrans-66.7-36.1177-171.6-102.2000112R403 E404 Y405 E409 T410 D466R403-F407 VanDerWaalsContact O-CB 3.22Å; R403-F407 WeakPolarHBondContact O-CB 3.29Å; R403-F407 PolarHBondContact O-N 2.92Å; E404-F407 PolarHBondContact O-N 2.94Å; Y405-F407 VanDerWaalsContact C-N 3.28Å; Y405-F407 PolarHBondContact O-N 2.93Å; F407-E409 PolarHBondContact O-N 3.16Å; F407-T410 HydrophobicContact CD2-CG2 4.27Å; F407-T410 WeakPolarHBondContact O-CB 3.37Å; F407-T410 WeakPolarHBondContact O-CG2 3.4Å; F407-T410 PolarHBondContact O-N 3.04Å; F407-T410 PolarHBondContact O-OG1 3.35Å; F407-D466 HydrophobicContact CE2-CB 3.89Å; F407-D466 HydrophobicContact CZ-CB 4.03Å
408R79.2Confident81.8Confident193 Ų19368.1 Ų68.173%0.72834%0.337SS*.Hα-helixtrans-68.8-22.9173.9-73.9178.365.4-176.6-1.4113.1E404 Y405 T410E404-R408 WeakPolarHBondContact O-CB 3.36Å; E404-R408 VanDerWaalsContact O-CG 3.28Å; E404-R408 WeakPolarHBondContact O-CG 3.12Å; E404-R408 PolarHBondContact O-N 3.16Å; Y405-R408 PolarHBondContact O-N 2.9Å; Y405-R408 VanDerWaalsContact O-N 3.1Å; R408-T410 PolarHBondContact O-N 3.18Å
409E70.7Confident81.9Confident21 Ų2167 Ų6710%0.09833%0.332CS..THydrogen-bonded Turntrans-76.4-2.8174.2-64.9-175.7129.300113.9E373 Y405 V406 F407 A411 R414 L419E373-E409 VanDerWaalsContact OE1-CD 3.26Å; Y405-E409 HydrophobicContact CD1-CG 4.48Å; Y405-E409 HydrophobicContact CE1-CG 4.12Å; Y405-E409 WeakPolarHBondContact CE1-OE1 3.2Å; Y405-E409 WeakPolarHBondContact CE1-OE2 3.16Å; Y405-E409 WeakPolarHBondContact O-CG 3.38Å; Y405-E409 PolarHBondContact O-N 3.32Å; Y405-E409 VanDerWaalsContact O-N 3.14Å; Y405-E409 PolarHBondContact OH-OE1 2.67Å; V406-E409 WeakPolarHBondContact O-CB 3.49Å; V406-E409 PolarHBondContact O-N 3.07Å; F407-E409 PolarHBondContact O-N 3.16Å; E409-A411 PolarHBondContact O-N 3.36Å; E409-R414 VanDerWaalsContact CB-NH1 3.33Å; E409-R414 VanDerWaalsContact CD-CZ 3.44Å; E409-R414 IonicContact OE1-CZ 2.71Å; E409-R414 IonicContact OE1-NH1 3.8Å; E409-R414 PolarHBondContact OE1-NH1 2.86Å; E409-R414 IonicContact OE1-NH2 3.21Å; E409-R414 PolarHBondContact OE1-NH2 3.43Å; E409-R414 IonicContact OE2-CZ 3.63Å; E409-R414 IonicContact OE2-NH1 2.82Å; E409-R414 PolarHBondContact OE2-NH1 2.56Å; E409-R414 IonicContact OE2-NH2 2.67Å; E409-L419 HydrophobicContact CB-CD2 4.48Å
410T59.9Low81.9Confident45 Ų4565.8 Ų65.828%0.27632%0.323SS..THydrogen-bonded Turntrans-69.18.5177.661.90000114.9F407 R408 F470F407-T410 HydrophobicContact CD2-CG2 4.27Å; F407-T410 WeakPolarHBondContact O-CB 3.37Å; F407-T410 WeakPolarHBondContact O-CG2 3.4Å; F407-T410 PolarHBondContact O-N 3.04Å; F407-T410 PolarHBondContact O-OG1 3.35Å; R408-T410 PolarHBondContact O-N 3.18Å; T410-F470 HydrophobicContact CG2-CD2 3.35Å; T410-F470 HydrophobicContact CG2-CE2 3.54Å; T410-F470 HydrophobicContact CG2-CG 4.11Å; T410-F470 HydrophobicContact CG2-CZ 4.43Å
411A61.9Low82.1Confident53 Ų5364.2 Ų64.244%0.43831%0.313SS..  trans-47.2127.6172.100000109.7E409 F413 R414E409-A411 PolarHBondContact O-N 3.36Å; A411-F413 PolarHBondContact O-N 3.18Å; A411-R414 PolarHBondContact O-N 3.14Å
412P64.5Low82.3Confident115 Ų11562.9 Ų62.975%0.74731%0.305SS*.THydrogen-bonded Turntrans-61.8-9.1-163.920-32.6000114.9
413F66.5Low82.3Confident195 Ų19564 Ų6486%0.85531%0.31SS*.THydrogen-bonded Turntrans-94.5-11-178.7-55.1-71.5000114.3A411A411-F413 PolarHBondContact O-N 3.18Å
414R79.3Confident82.5Confident35 Ų3563.8 Ų63.813%0.13231%0.31CS..SBendtrans-80.4132.9-178.3-155.1-170.7-161.4-158.89.8110.1E373 E409 A411 E418 R474E373-R414 IonicContact OE1-CZ 2.91Å; E373-R414 IonicContact OE1-NH1 3.43Å; E373-R414 PolarHBondContact OE1-NH1 3.1Å; E373-R414 VanDerWaalsContact OE1-NH1 3.08Å; E373-R414 IonicContact OE1-NH2 2.84Å; E373-R414 PolarHBondContact OE1-NH2 3.34Å; E373-R414 IonicContact OE2-NH2 3.77Å; E373-R414 PolarHBondContact OE2-NH2 2.72Å; E409-R414 VanDerWaalsContact CB-NH1 3.33Å; E409-R414 VanDerWaalsContact CD-CZ 3.44Å; E409-R414 IonicContact OE1-CZ 2.71Å; E409-R414 IonicContact OE1-NH1 3.8Å; E409-R414 PolarHBondContact OE1-NH1 2.86Å; E409-R414 IonicContact OE1-NH2 3.21Å; E409-R414 PolarHBondContact OE1-NH2 3.43Å; E409-R414 IonicContact OE2-CZ 3.63Å; E409-R414 IonicContact OE2-NH1 2.82Å; E409-R414 PolarHBondContact OE2-NH1 2.56Å; E409-R414 IonicContact OE2-NH2 2.67Å; A411-R414 PolarHBondContact O-N 3.14Å; R414-E418 HydrophobicContact CG-CB 4.07Å; R414-E418 WeakPolarHBondContact CG-OE2 3.41Å; R414-E418 PolarHBondContact NH1-O 3.4Å; R414-E418 VanDerWaalsContact NH1-O 3.16Å; R414-E418 PolarHBondContact NH2-O 2.93Å; R414-R474 PolarHBondContact O-NH2 2.79Å
415K84.5Confident82.9Confident139 Ų13958.3 Ų58.360%0.60428%0.284SS*.  trans-70.7150.6177.8-65.6177.8-178.3174.30110.8D417 E418K415-D417 PolarHBondContact O-N 2.99Å; K415-E418 HydrophobicContact CB-CG 4.22Å; K415-E418 PolarHBondContact O-N 2.81Å; K415-E418 VanDerWaalsContact O-N 3.09Å
416D85.6Confident83.1Confident69 Ų6958.2 Ų58.237%0.36929%0.29SS..G310 helixtrans-59.4-38178.3-70.9-13.9000111.8E418 L419 N422 R474D416-E418 PolarHBondContact O-N 2.7Å; D416-E418 VanDerWaalsContact O-N 3.13Å; D416-L419 WeakPolarHBondContact O-CB 3.46Å; D416-L419 PolarHBondContact O-N 2.81Å; D416-N422 WeakPolarHBondContact O-CB 3.2Å; D416-N422 PolarHBondContact O-ND2 2.64Å; D416-R474 IonicContact OD1-CZ 3.24Å; D416-R474 IonicContact OD1-NE 3.31Å; D416-R474 PolarHBondContact OD1-NE 3.19Å; D416-R474 IonicContact OD1-NH2 3.34Å; D416-R474 PolarHBondContact OD1-NH2 2.75Å
417D85.2Confident83.3Confident114 Ų11459.5 Ų59.561%0.6130%0.296SS*.G310 helixtrans-66-13.7179.1-58.5-25.5000113.9K415 L423K415-D417 PolarHBondContact O-N 2.99Å; D417-L423 WeakPolarHBondContact O-CD2 3.33Å
418E86Confident84Confident93 Ų9355.6 Ų55.644%0.43528%0.278SS..G310 helixtrans-97.1-7.4-179.9-64.8173.1-170.800112.8R414 K415 D416R414-E418 HydrophobicContact CG-CB 4.07Å; R414-E418 WeakPolarHBondContact CG-OE2 3.41Å; R414-E418 PolarHBondContact NH1-O 3.4Å; R414-E418 VanDerWaalsContact NH1-O 3.16Å; R414-E418 PolarHBondContact NH2-O 2.93Å; K415-E418 HydrophobicContact CB-CG 4.22Å; K415-E418 PolarHBondContact O-N 2.81Å; K415-E418 VanDerWaalsContact O-N 3.09Å; D416-E418 PolarHBondContact O-N 2.7Å; D416-E418 VanDerWaalsContact O-N 3.13Å
419L90.7Very high84.7Confident0 Ų047.7 Ų47.70%025%0.251CS..SBendtrans-71.3133.5178.9-61.7170.9000110.4E409 D416 I421 N422 L423 F470 R474E409-L419 HydrophobicContact CB-CD2 4.48Å; D416-L419 WeakPolarHBondContact O-CB 3.46Å; D416-L419 PolarHBondContact O-N 2.81Å; L419-I421 VanDerWaalsContact C-N 3.25Å; L419-I421 PolarHBondContact O-N 3.3Å; L419-I421 VanDerWaalsContact O-N 3.16Å; L419-N422 HydrophobicContact CB-CB 4.19Å; L419-N422 CarbonylContact O-C 3.55Å; L419-N422 WeakPolarHBondContact O-CA 3.49Å; L419-N422 PolarHBondContact O-N 3.35Å; L419-L423 PolarHBondContact O-N 3.36Å; L419-F470 HydrophobicContact CD1-CE2 4.03Å; L419-F470 HydrophobicContact CD1-CZ 4Å; L419-F470 HydrophobicContact CD2-CE2 4.47Å; L419-F470 HydrophobicContact CD2-CZ 4.44Å; L419-R474 HydrophobicContact CD1-CB 4.12Å
420L93.3Very high85.7Confident0 Ų050.7 Ų50.70%027%0.271CS..Hα-helixtrans-48.8-45.5177.5177.358.7000112.9E373 L376 L391 V402 Y405 V406 N422 L423 M424E373-L420 HydrophobicContact CG-CB 3.81Å; E373-L420 HydrophobicContact CG-CD1 3.7Å; E373-L420 HydrophobicContact CG-CG 4.2Å; E373-L420 WeakPolarHBondContact OE1-CB 3.45Å; E373-L420 PolarHBondContact OE1-N 2.72Å; L376-L420 HydrophobicContact CD1-CD1 4.01Å; L391-L420 HydrophobicContact CD1-CD1 3.95Å; L391-L420 HydrophobicContact CD2-CD1 3.96Å; L391-L420 HydrophobicContact CD2-CD2 3.98Å; V402-L420 HydrophobicContact CG1-CD2 4.34Å; Y405-L420 HydrophobicContact CD1-CD2 4.16Å; Y405-L420 HydrophobicContact CE1-CD2 4.21Å; V406-L420 HydrophobicContact CG2-CB 4.15Å; V406-L420 HydrophobicContact CG2-CD2 4.11Å; L420-N422 PolarHBondContact O-N 3.27Å; L420-L423 WeakPolarHBondContact O-CB 3.46Å; L420-L423 PolarHBondContact O-N 3.38Å; L420-M424 HydrophobicContact CD1-CG 4.44Å; L420-M424 HydrophobicContact CG-SD 4.29Å; L420-M424 VanDerWaalsContact O-CG 3.31Å; L420-M424 WeakPolarHBondContact O-CG 3.45Å; L420-M424 PolarHBondContact O-N 3.44Å
421I94.2Very high87.2Confident1 Ų148.7 Ų48.71%0.00526%0.258CS..Hα-helixtrans-63.8-39.1177.8-67.1-175.3000111.8V406 L419 M424 I425 L446 F467 F470 C475V406-I421 HydrophobicContact CB-CD1 4.45Å; V406-I421 HydrophobicContact CG1-CD1 3.77Å; V406-I421 HydrophobicContact CG1-CG1 3.95Å; V406-I421 HydrophobicContact CG2-CD1 4.31Å; V406-I421 HydrophobicContact CG2-CG1 4.04Å; L419-I421 VanDerWaalsContact C-N 3.25Å; L419-I421 PolarHBondContact O-N 3.3Å; L419-I421 VanDerWaalsContact O-N 3.16Å; I421-M424 WeakPolarHBondContact O-CB 3.35Å; I421-M424 PolarHBondContact O-N 3.14Å; I421-I425 HydrophobicContact CG2-CD1 3.77Å; I421-I425 HydrophobicContact CG2-CG1 4.37Å; I421-I425 WeakPolarHBondContact O-CB 3.29Å; I421-I425 VanDerWaalsContact O-CG1 3.24Å; I421-I425 WeakPolarHBondContact O-CG1 3.35Å; I421-I425 PolarHBondContact O-N 3.01Å; I421-L446 HydrophobicContact CG2-CD2 3.99Å; I421-F467 HydrophobicContact CD1-CE2 4.14Å; I421-F467 HydrophobicContact CD1-CZ 3.65Å; I421-F470 HydrophobicContact CD1-CE1 4.26Å; I421-C475 HydrophobicContact CG2-CB 3.98Å
422N94.2Very high88.3Confident0 Ų051.1 Ų51.10%027%0.27CS..Hα-helixtrans-74.3-28.4177.2-77.5-19.8000112.4D416 L419 L420 S426 R474 C475 T478D416-N422 WeakPolarHBondContact O-CB 3.2Å; D416-N422 PolarHBondContact O-ND2 2.64Å; L419-N422 HydrophobicContact CB-CB 4.19Å; L419-N422 CarbonylContact O-C 3.55Å; L419-N422 WeakPolarHBondContact O-CA 3.49Å; L419-N422 PolarHBondContact O-N 3.35Å; L420-N422 PolarHBondContact O-N 3.27Å; N422-S426 VanDerWaalsContact O-CB 3.26Å; N422-S426 WeakPolarHBondContact O-CB 3.47Å; N422-S426 PolarHBondContact O-N 3.41Å; N422-S426 PolarHBondContact O-OG 3.35Å; N422-R474 PolarHBondContact ND2-O 3.35Å; N422-C475 WeakPolarHBondContact OD1-CA 3.45Å; N422-T478 HydrophobicContact CB-CG2 4.46Å; N422-T478 WeakPolarHBondContact OD1-CB 3.41Å; N422-T478 PolarHBondContact OD1-OG1 3.31Å
423L93.9Very high89.3Confident23 Ų2346.9 Ų46.912%0.1224%0.241CC..Hα-helixtrans-64.7-45.3168.4-68.7172.2000110.6E373 L376 D417 L419 L420 S426 Q427E373-L423 HydrophobicContact CB-CD1 4.12Å; E373-L423 HydrophobicContact CG-CD1 4.42Å; L376-L423 HydrophobicContact CB-CB 4.46Å; L376-L423 HydrophobicContact CD1-CB 4.29Å; D417-L423 WeakPolarHBondContact O-CD2 3.33Å; L419-L423 PolarHBondContact O-N 3.36Å; L420-L423 WeakPolarHBondContact O-CB 3.46Å; L420-L423 PolarHBondContact O-N 3.38Å; L423-S426 PolarHBondContact O-N 2.76Å; L423-Q427 WeakPolarHBondContact O-CG 3.48Å; L423-Q427 PolarHBondContact O-N 3.44Å
424M95.5Very high90.1Very high0 Ų042.4 Ų42.40%023%0.231CC..Hα-helixtrans-59.6-48.9174-70.5171.371.700111.7L376 L391 I395 L420 I421 S426 Q427 L428 L442 M445 L446 L449L376-M424 HydrophobicContact CD1-CG 4.3Å; L391-M424 HydrophobicContact CD1-CG 4.35Å; I395-M424 HydrophobicContact CD1-CE 3.67Å; I395-M424 HydrophobicContact CD1-SD 4.38Å; L420-M424 HydrophobicContact CD1-CG 4.44Å; L420-M424 HydrophobicContact CG-SD 4.29Å; L420-M424 VanDerWaalsContact O-CG 3.31Å; L420-M424 WeakPolarHBondContact O-CG 3.45Å; L420-M424 PolarHBondContact O-N 3.44Å; I421-M424 WeakPolarHBondContact O-CB 3.35Å; I421-M424 PolarHBondContact O-N 3.14Å; M424-S426 VanDerWaalsContact C-N 3.32Å; M424-S426 PolarHBondContact O-N 3.12Å; M424-Q427 PolarHBondContact O-N 3.2Å; M424-L428 PolarHBondContact O-N 3.46Å; M424-L442 HydrophobicContact CB-CD2 3.67Å; M424-L442 HydrophobicContact CE-CD2 4.17Å; M424-L442 HydrophobicContact CG-CD2 3.95Å; M424-M445 HydrophobicContact CE-CB 3.85Å; M424-M445 HydrophobicContact CE-CE 4.08Å; M424-L446 HydrophobicContact CB-CD2 4.46Å; M424-L446 HydrophobicContact CE-CD2 4.29Å; M424-L446 HydrophobicContact CE-CG 4.4Å; M424-L449 HydrophobicContact CE-CD1 4.18Å; M424-L449 HydrophobicContact SD-CD1 4.34Å
425I96Very high90.3Very high0 Ų047.9 Ų47.90%026%0.258CS..Hα-helixtrans-58.9-46.1175.6-69.6163.9000109.9I421 Q427 L428 L429 L446 C475 T478 L479I421-I425 HydrophobicContact CG2-CD1 3.77Å; I421-I425 HydrophobicContact CG2-CG1 4.37Å; I421-I425 WeakPolarHBondContact O-CB 3.29Å; I421-I425 VanDerWaalsContact O-CG1 3.24Å; I421-I425 WeakPolarHBondContact O-CG1 3.35Å; I421-I425 PolarHBondContact O-N 3.01Å; I425-Q427 VanDerWaalsContact C-N 3.33Å; I425-Q427 PolarHBondContact O-N 3.29Å; I425-L428 WeakPolarHBondContact O-CB 3.37Å; I425-L428 PolarHBondContact O-N 3.31Å; I425-L428 VanDerWaalsContact O-N 3.11Å; I425-L429 HydrophobicContact CG2-CD1 3.83Å; I425-L429 HydrophobicContact CG2-CG 4.13Å; I425-L429 VanDerWaalsContact O-CG 3.25Å; I425-L429 WeakPolarHBondContact O-CG 3.26Å; I425-L429 PolarHBondContact O-N 3.02Å; I425-L446 HydrophobicContact CG1-CD1 3.9Å; I425-L446 HydrophobicContact CG1-CD2 4.23Å; I425-C475 HydrophobicContact CD1-CB 4.2Å; I425-T478 HydrophobicContact CB-CG2 4.41Å; I425-T478 HydrophobicContact CG2-CG2 3.8Å; I425-L479 HydrophobicContact CD1-CB 4.15Å; I425-L479 HydrophobicContact CG2-CB 4.2Å; I425-L479 HydrophobicContact CG2-CD1 4.36Å
426S94.5Very high90.2Very high42 Ų4241.3 Ų41.329%0.29423%0.229SC..Hα-helixtrans-59-44.6179.9-62.20000111.6N422 L423 M424 L428 L429 T430N422-S426 VanDerWaalsContact O-CB 3.26Å; N422-S426 WeakPolarHBondContact O-CB 3.47Å; N422-S426 PolarHBondContact O-N 3.41Å; N422-S426 PolarHBondContact O-OG 3.35Å; L423-S426 PolarHBondContact O-N 2.76Å; M424-S426 VanDerWaalsContact C-N 3.32Å; M424-S426 PolarHBondContact O-N 3.12Å; S426-L428 PolarHBondContact O-N 3.46Å; S426-L429 PolarHBondContact O-N 2.85Å; S426-T430 WeakPolarHBondContact O-CG2 3.5Å; S426-T430 PolarHBondContact O-N 2.92Å; S426-T430 PolarHBondContact O-OG1 2.91Å
427Q93.4Very high90.4Very high28 Ų2840.6 Ų40.613%0.13123%0.23CC..Hα-helixtrans-63.3-39.4175.2-64.4-47.6-38.500112.5L376 K384 L423 M424 I425 L429 T430 D431 L442L376-Q427 HydrophobicContact CD2-CG 4.17Å; L376-Q427 PolarHBondContact O-NE2 3.5Å; L376-Q427 VanDerWaalsContact O-NE2 3.12Å; K384-Q427 VanDerWaalsContact CE-OE1 3.32Å; L423-Q427 WeakPolarHBondContact O-CG 3.48Å; L423-Q427 PolarHBondContact O-N 3.44Å; M424-Q427 PolarHBondContact O-N 3.2Å; I425-Q427 VanDerWaalsContact C-N 3.33Å; I425-Q427 PolarHBondContact O-N 3.29Å; Q427-L429 VanDerWaalsContact C-N 3.26Å; Q427-L429 PolarHBondContact O-N 3.43Å; Q427-T430 CarbonylContact O-C 3.6Å; Q427-T430 PolarHBondContact O-N 2.99Å; Q427-D431 PolarHBondContact O-N 3.35Å; Q427-L442 HydrophobicContact CB-CD1 3.63Å
428L94.7Very high90.7Very high1 Ų136.7 Ų36.71%0.00521%0.209CC..Hα-helixtrans-59.8-40.8175.9-178.5160.1000110.9M424 I425 S426 A439 L442 L446 H505 L509M424-L428 PolarHBondContact O-N 3.46Å; I425-L428 WeakPolarHBondContact O-CB 3.37Å; I425-L428 PolarHBondContact O-N 3.31Å; I425-L428 VanDerWaalsContact O-N 3.11Å; S426-L428 PolarHBondContact O-N 3.46Å; L428-A439 HydrophobicContact CG-CB 4.12Å; L428-A439 WeakPolarHBondContact O-CB 3.34Å; L428-L442 HydrophobicContact CB-CB 3.99Å; L428-L442 HydrophobicContact CB-CD1 4.12Å; L428-L442 HydrophobicContact CD1-CB 4.07Å; L428-L442 HydrophobicContact CG-CB 4.36Å; L428-L446 HydrophobicContact CD1-CD1 3.82Å; L428-H505 HydrophobicContact CD2-CB 4.29Å; L428-L509 HydrophobicContact CD1-CD1 4.3Å
429L94.3Very high91Very high28 Ų2832.3 Ų32.315%0.14719%0.189CC..Hα-helixtrans-77.2-21.8-178.1-62.3-177.9000113.6I425 S426 Q427 T478 P482 V502 I506I425-L429 HydrophobicContact CG2-CD1 3.83Å; I425-L429 HydrophobicContact CG2-CG 4.13Å; I425-L429 VanDerWaalsContact O-CG 3.25Å; I425-L429 WeakPolarHBondContact O-CG 3.26Å; I425-L429 PolarHBondContact O-N 3.02Å; S426-L429 PolarHBondContact O-N 2.85Å; Q427-L429 VanDerWaalsContact C-N 3.26Å; Q427-L429 PolarHBondContact O-N 3.43Å; L429-T478 WeakPolarHBondContact CD1-O 3.34Å; L429-P482 HydrophobicContact CD1-CG 3.72Å; L429-P482 HydrophobicContact CD2-CG 3.83Å; L429-P482 HydrophobicContact CG-CG 4.24Å; L429-V502 HydrophobicContact CD2-CG1 3.63Å; L429-I506 HydrophobicContact CD2-CD1 3.8Å; L429-I506 HydrophobicContact CD2-CG1 4.1Å
430T92.3Very high91Very high84 Ų8437.7 Ų37.752%0.51521%0.212SC..THydrogen-bonded Turntrans-117.414.5-175.365.80000114.1S426 Q427 P432S426-T430 WeakPolarHBondContact O-CG2 3.5Å; S426-T430 PolarHBondContact O-N 2.92Å; S426-T430 PolarHBondContact O-OG1 2.91Å; Q427-T430 CarbonylContact O-C 3.6Å; Q427-T430 PolarHBondContact O-N 2.99Å; T430-P432 WeakPolarHBondContact O-CD 3.38Å; T430-P432 VanDerWaalsContact O-N 3.16Å
431D90.7Very high91Very high3 Ų339.6 Ų39.62%0.01622%0.222CC..  trans-56.2120.1-179.7-178.4-3.7000109.8Q427 D433 L436 S437 D438 A439 H498Q427-D431 PolarHBondContact O-N 3.35Å; D431-D433 VanDerWaalsContact C-N 3.26Å; D431-D433 PolarHBondContact O-N 3.47Å; D431-D433 VanDerWaalsContact OD1-CB 3.31Å; D431-D433 WeakPolarHBondContact OD1-CB 3.37Å; D431-D433 PolarHBondContact OD1-N 3.39Å; D431-L436 HydrophobicContact CB-CD2 3.7Å; D431-L436 VanDerWaalsContact OD2-CA 3.28Å; D431-L436 WeakPolarHBondContact OD2-CA 3.26Å; D431-S437 PolarHBondContact OD2-N 2.88Å; D431-D438 PolarHBondContact OD2-N 3.39Å; D431-D438 VanDerWaalsContact OD2-N 3.13Å; D431-A439 HydrophobicContact CB-CB 3.86Å; D431-A439 PolarHBondContact OD2-N 2.86Å; D431-H498 PolarHBondContact O-NE2 2.9Å
432P84.9Confident91.1Very high104 Ų10439.5 Ų39.568%0.67522%0.222SC*.  trans-76.3-12.8-178.432.3-37.2000113.2T430T430-P432 WeakPolarHBondContact O-CD 3.38Å; T430-P432 VanDerWaalsContact O-N 3.16Å
433D86.7Confident91.2Very high26 Ų2640 Ų4014%0.13923%0.227CC..  trans-71.3128.1-177.6-160.2-68.3000110.9R381 D431 E435 L436R381-D433 IonicContact CZ-OD2 3.53Å; R381-D433 IonicContact NH2-OD2 3.93Å; R381-D433 PolarHBondContact NH2-OD2 3.44Å; D431-D433 VanDerWaalsContact C-N 3.26Å; D431-D433 PolarHBondContact O-N 3.47Å; D431-D433 VanDerWaalsContact OD1-CB 3.31Å; D431-D433 WeakPolarHBondContact OD1-CB 3.37Å; D431-D433 PolarHBondContact OD1-N 3.39Å; D433-E435 PolarHBondContact O-N 3.39Å; D433-E435 WeakPolarHBondContact OD1-CB 3.2Å; D433-E435 PolarHBondContact OD1-N 2.99Å; D433-L436 PolarHBondContact O-N 3.2Å
434P81.5Confident91.2Very high101 Ų10144.5 Ų44.566%0.65624%0.243SC*.THydrogen-bonded Turntrans-58.1-28.1177.3-24.334.1000113.9
435E84Confident91.3Very high149 Ų14944.5 Ų44.570%0.69624%0.243SC*.THydrogen-bonded Turntrans-92.20.4177.9-61.5-178.5177.500112.6D433 S437 F440D433-E435 PolarHBondContact O-N 3.39Å; D433-E435 WeakPolarHBondContact OD1-CB 3.2Å; D433-E435 PolarHBondContact OD1-N 2.99Å; E435-S437 PolarHBondContact O-N 3.4Å; E435-F440 WeakPolarHBondContact O-CD2 3.45Å; E435-F440 VanDerWaalsContact O-CE2 3.26Å; E435-F440 WeakPolarHBondContact O-CE2 3.48Å
436L83.8Confident91.3Very high1 Ų144.7 Ų44.71%0.00524%0.244CC..  trans53.536179.4-74-169.8000113.9D431 D433 D438 A439 F440 L501 V502D431-L436 HydrophobicContact CB-CD2 3.7Å; D431-L436 VanDerWaalsContact OD2-CA 3.28Å; D431-L436 WeakPolarHBondContact OD2-CA 3.26Å; D433-L436 PolarHBondContact O-N 3.2Å; L436-D438 PolarHBondContact O-N 3.18Å; L436-A439 HydrophobicContact CB-CB 3.95Å; L436-A439 HydrophobicContact CD1-CB 4.48Å; L436-A439 HydrophobicContact CD2-CB 4.07Å; L436-A439 HydrophobicContact CG-CB 4.4Å; L436-A439 PolarHBondContact O-N 2.93Å; L436-A439 VanDerWaalsContact O-N 3.14Å; L436-F440 HydrophobicContact CB-CD2 4.26Å; L436-F440 HydrophobicContact CB-CE2 4.24Å; L436-F440 WeakPolarHBondContact O-CD2 3.35Å; L436-F440 PolarHBondContact O-N 3.04Å; L436-L501 HydrophobicContact CD1-CB 3.42Å; L436-L501 VanDerWaalsContact CD1-CB 3.42Å; L436-L501 HydrophobicContact CD1-CD1 4.32Å; L436-L501 HydrophobicContact CD1-CG 4.47Å; L436-L501 HydrophobicContact CG-CB 4.31Å; L436-L501 HydrophobicContact CG-CD1 4.37Å; L436-V502 HydrophobicContact CD1-CG2 4.26Å
437S88.3Confident91.4Very high54 Ų5449 Ų4938%0.37825%0.254SS..Hα-helixtrans-56.7-45.8-173.751.80000113.4D431 E435 L441D431-S437 PolarHBondContact OD2-N 2.88Å; E435-S437 PolarHBondContact O-N 3.4Å; S437-L441 PolarHBondContact O-N 2.98Å
438D91.1Very high91.5Very high33 Ų3348.8 Ų48.818%0.17625%0.253CS..Hα-helixtrans-71.3-36.7177.5-74.2-19.3000110.9L388 D431 L436 L441 L442L388-D438 HydrophobicContact CD1-CB 3.74Å; D431-D438 PolarHBondContact OD2-N 3.39Å; D431-D438 VanDerWaalsContact OD2-N 3.13Å; L436-D438 PolarHBondContact O-N 3.18Å; D438-L441 PolarHBondContact O-N 3.07Å; D438-L442 WeakPolarHBondContact O-CB 3.37Å; D438-L442 WeakPolarHBondContact O-CD1 3.1Å; D438-L442 WeakPolarHBondContact O-CG 3.42Å; D438-L442 PolarHBondContact O-N 3.14Å
439A92.3Very high91.5Very high0 Ų048.8 Ų48.80%025%0.253CS..Hα-helixtrans-65-36176.600000113.3L428 D431 L436 L442 G443L428-A439 HydrophobicContact CG-CB 4.12Å; L428-A439 WeakPolarHBondContact O-CB 3.34Å; D431-A439 HydrophobicContact CB-CB 3.86Å; D431-A439 PolarHBondContact OD2-N 2.86Å; L436-A439 HydrophobicContact CB-CB 3.95Å; L436-A439 HydrophobicContact CD1-CB 4.48Å; L436-A439 HydrophobicContact CD2-CB 4.07Å; L436-A439 HydrophobicContact CG-CB 4.4Å; L436-A439 PolarHBondContact O-N 2.93Å; L436-A439 VanDerWaalsContact O-N 3.14Å; A439-L442 PolarHBondContact O-N 3.12Å; A439-G443 PolarHBondContact O-N 2.89Å
440F92.2Very high91.5Very high114 Ų11447.6 Ų47.650%0.525%0.247SC..Hα-helixtrans-62.4-46.7171.7-83.2-69.3000111.4E435 L436 G443 Y444 H505E435-F440 WeakPolarHBondContact O-CD2 3.45Å; E435-F440 VanDerWaalsContact O-CE2 3.26Å; E435-F440 WeakPolarHBondContact O-CE2 3.48Å; L436-F440 HydrophobicContact CB-CD2 4.26Å; L436-F440 HydrophobicContact CB-CE2 4.24Å; L436-F440 WeakPolarHBondContact O-CD2 3.35Å; L436-F440 PolarHBondContact O-N 3.04Å; F440-G443 PolarHBondContact O-N 2.94Å; F440-Y444 PolarHBondContact O-N 3.12Å; F440-H505 AromaticContact CD1-CE1 3.8Å; F440-H505 AromaticContact CD1-NE2 3.08Å; F440-H505 WeakPolarHBondContact CD1-NE2 3.31Å; F440-H505 AromaticContact CD2-NE2 3.79Å; F440-H505 AromaticContact CE1-CE1 3.52Å; F440-H505 AromaticContact CE1-NE2 3.25Å; F440-H505 VanDerWaalsContact CE1-NE2 3.25Å; F440-H505 WeakPolarHBondContact CE1-NE2 3.37Å; F440-H505 AromaticContact CE2-CE1 3.79Å; F440-H505 AromaticContact CE2-NE2 3.93Å; F440-H505 AromaticContact CG-NE2 3.36Å; F440-H505 WeakPolarHBondContact CG-NE2 3.36Å; F440-H505 AromaticContact CZ-CE1 3.5Å; F440-H505 AromaticContact CZ-NE2 3.68Å
441L93.6Very high91.6Very high39 Ų3944.9 Ų44.920%0.20423%0.229CC..Hα-helixtrans-61.1-45.2176.5177.560.9000111.3L388 Q392 S437 D438 G443 Y444 M445L388-L441 HydrophobicContact CB-CD2 4.28Å; Q392-L441 HydrophobicContact CG-CD1 4.34Å; S437-L441 PolarHBondContact O-N 2.98Å; D438-L441 PolarHBondContact O-N 3.07Å; L441-G443 PolarHBondContact O-N 3.41Å; L441-Y444 HydrophobicContact CD1-CD1 4.49Å; L441-Y444 WeakPolarHBondContact O-CB 3.22Å; L441-Y444 PolarHBondContact O-N 3.35Å; L441-M445 HydrophobicContact CD1-CG 4.4Å; L441-M445 HydrophobicContact CG-CE 4.1Å; L441-M445 WeakPolarHBondContact O-CG 3.48Å; L441-M445 PolarHBondContact O-N 3.33Å
442L96.3Very high91.6Very high0 Ų045 Ų450%023%0.231CC..Hα-helixtrans-62-40.9176.1-79.3160.3000112.4L388 M424 Q427 L428 D438 A439 Y444 M445 L446L388-L442 HydrophobicContact CD1-CD1 4.27Å; L388-L442 HydrophobicContact CD1-CG 4.42Å; L388-L442 HydrophobicContact CD2-CD1 4.13Å; L388-L442 HydrophobicContact CD2-CD2 3.56Å; L388-L442 HydrophobicContact CD2-CG 3.88Å; M424-L442 HydrophobicContact CB-CD2 3.67Å; M424-L442 HydrophobicContact CE-CD2 4.17Å; M424-L442 HydrophobicContact CG-CD2 3.95Å; Q427-L442 HydrophobicContact CB-CD1 3.63Å; L428-L442 HydrophobicContact CB-CB 3.99Å; L428-L442 HydrophobicContact CB-CD1 4.12Å; L428-L442 HydrophobicContact CD1-CB 4.07Å; L428-L442 HydrophobicContact CG-CB 4.36Å; D438-L442 WeakPolarHBondContact O-CB 3.37Å; D438-L442 WeakPolarHBondContact O-CD1 3.1Å; D438-L442 WeakPolarHBondContact O-CG 3.42Å; D438-L442 PolarHBondContact O-N 3.14Å; A439-L442 PolarHBondContact O-N 3.12Å; L442-Y444 VanDerWaalsContact C-N 3.35Å; L442-M445 HydrophobicContact CD2-CE 3.73Å; L442-M445 HydrophobicContact CG-CE 4.1Å; L442-M445 PolarHBondContact O-N 2.69Å; L442-L446 WeakPolarHBondContact O-CB 3.46Å; L442-L446 VanDerWaalsContact O-CG 3.26Å; L442-L446 WeakPolarHBondContact O-CG 3.35Å; L442-L446 PolarHBondContact O-N 2.96Å
443G95.5Very high91.7Very high10 Ų1043.9 Ų43.910%0.10322%0.219CC..Hα-helixtrans-61.5-43.4175.400000112A439 F440 L441 R447A439-G443 PolarHBondContact O-N 2.89Å; F440-G443 PolarHBondContact O-N 2.94Å; L441-G443 PolarHBondContact O-N 3.41Å; G443-R447 WeakPolarHBondContact O-CB 3.49Å; G443-R447 PolarHBondContact O-N 3.3Å
444Y94.8Very high91.6Very high118 Ų11846 Ų4646%0.46323%0.23SC..Hα-helixtrans-61.6-48.5173.3169.8-104.7000112.3E396 F440 L441 L442 L446 R447 I448E396-Y444 HydrophobicContact CG-CE1 4.23Å; E396-Y444 WeakPolarHBondContact OE1-CE1 3.43Å; F440-Y444 PolarHBondContact O-N 3.12Å; L441-Y444 HydrophobicContact CD1-CD1 4.49Å; L441-Y444 WeakPolarHBondContact O-CB 3.22Å; L441-Y444 PolarHBondContact O-N 3.35Å; L442-Y444 VanDerWaalsContact C-N 3.35Å; Y444-L446 PolarHBondContact O-N 3.43Å; Y444-R447 WeakPolarHBondContact O-CB 3.4Å; Y444-R447 PolarHBondContact O-N 3.31Å; Y444-I448 HydrophobicContact CD1-CD1 4.19Å; Y444-I448 HydrophobicContact CE1-CD1 3.58Å; Y444-I448 HydrophobicContact CE2-CD1 4.07Å; Y444-I448 HydrophobicContact CE2-CG1 4.47Å; Y444-I448 PolarHBondContact O-N 3.22Å; Y444-I448 VanDerWaalsContact O-N 3.12Å
445M97Very high91.8Very high0 Ų041.4 Ų41.40%020%0.2CC..Hα-helixtrans-61.9-42.7178.2-72.7-168.2-61.600112.6L388 L391 Q392 I395 M424 L441 L442 R447 I448 L449L388-M445 HydrophobicContact CD2-CE 4.07Å; L391-M445 HydrophobicContact CB-SD 4.36Å; Q392-M445 HydrophobicContact CB-SD 3.88Å; I395-M445 HydrophobicContact CD1-CB 3.88Å; I395-M445 HydrophobicContact CD1-CG 4.17Å; I395-M445 HydrophobicContact CD1-SD 3.89Å; I395-M445 HydrophobicContact CG2-CB 4.23Å; I395-M445 HydrophobicContact CG2-CG 4.39Å; M424-M445 HydrophobicContact CE-CB 3.85Å; M424-M445 HydrophobicContact CE-CE 4.08Å; L441-M445 HydrophobicContact CD1-CG 4.4Å; L441-M445 HydrophobicContact CG-CE 4.1Å; L441-M445 WeakPolarHBondContact O-CG 3.48Å; L441-M445 PolarHBondContact O-N 3.33Å; L442-M445 HydrophobicContact CD2-CE 3.73Å; L442-M445 HydrophobicContact CG-CE 4.1Å; L442-M445 PolarHBondContact O-N 2.69Å; M445-R447 VanDerWaalsContact C-N 3.31Å; M445-R447 PolarHBondContact O-N 2.93Å; M445-I448 PolarHBondContact O-N 3.17Å; M445-L449 WeakPolarHBondContact O-CG 3.46Å; M445-L449 PolarHBondContact O-N 2.88Å; M445-L449 VanDerWaalsContact O-N 3.14Å
446L96.6Very high91Very high4 Ų439.3 Ų39.32%0.02119%0.193CC..Hα-helixtrans-62.3-40.2175.9-75.2170.1000111.3I421 M424 I425 L428 L442 Y444 I448 L449 I450 L509I421-L446 HydrophobicContact CG2-CD2 3.99Å; M424-L446 HydrophobicContact CB-CD2 4.46Å; M424-L446 HydrophobicContact CE-CD2 4.29Å; M424-L446 HydrophobicContact CE-CG 4.4Å; I425-L446 HydrophobicContact CG1-CD1 3.9Å; I425-L446 HydrophobicContact CG1-CD2 4.23Å; L428-L446 HydrophobicContact CD1-CD1 3.82Å; L442-L446 WeakPolarHBondContact O-CB 3.46Å; L442-L446 VanDerWaalsContact O-CG 3.26Å; L442-L446 WeakPolarHBondContact O-CG 3.35Å; L442-L446 PolarHBondContact O-N 2.96Å; Y444-L446 PolarHBondContact O-N 3.43Å; L446-I448 PolarHBondContact O-N 3.41Å; L446-L449 PolarHBondContact O-N 3.16Å; L446-I450 VanDerWaalsContact O-CG1 3.29Å; L446-I450 WeakPolarHBondContact O-CG1 3.45Å; L446-I450 PolarHBondContact O-N 3.44Å; L446-L509 HydrophobicContact CB-CD2 4.42Å; L446-L509 HydrophobicContact CD1-CD1 4.29Å
447R96.1Very high89.9Confident133 Ų13343.4 Ų43.450%0.50222%0.215SC..Hα-helixtrans-59.3-45.8175.7-173.9177.8176.6171.9-2.5111.6G443 Y444 M445 L449 I450 D451 L509 F512G443-R447 WeakPolarHBondContact O-CB 3.49Å; G443-R447 PolarHBondContact O-N 3.3Å; Y444-R447 WeakPolarHBondContact O-CB 3.4Å; Y444-R447 PolarHBondContact O-N 3.31Å; M445-R447 VanDerWaalsContact C-N 3.31Å; M445-R447 PolarHBondContact O-N 2.93Å; R447-L449 VanDerWaalsContact C-N 3.32Å; R447-L449 PolarHBondContact O-N 3.25Å; R447-I450 PolarHBondContact O-N 3.32Å; R447-D451 WeakPolarHBondContact O-CB 3.49Å; R447-D451 PolarHBondContact O-N 3.23Å; R447-L509 HydrophobicContact CB-CD2 4.29Å; R447-F512 HydrophobicContact CG-CD1 4.15Å; R447-F512 HydrophobicContact CG-CD2 4.08Å; R447-F512 HydrophobicContact CG-CE1 4.15Å; R447-F512 HydrophobicContact CG-CE2 4.06Å; R447-F512 HydrophobicContact CG-CG 4.12Å; R447-F512 HydrophobicContact CG-CZ 4.1Å; R447-F512 VanDerWaalsContact NE-CD2 3.35Å
448I95.5Very high88.2Confident23 Ų2347.2 Ų47.212%0.11824%0.242CC..Hα-helixtrans-58.6-44.6176.2-66.1170.2000111.3I395 E396 P399 Y444 M445 L446I395-I448 HydrophobicContact CG2-CB 3.84Å; I395-I448 HydrophobicContact CG2-CD1 4.08Å; I395-I448 HydrophobicContact CG2-CG2 3.77Å; E396-I448 HydrophobicContact CG-CD1 4.32Å; P399-I448 HydrophobicContact CB-CG2 3.98Å; P399-I448 HydrophobicContact CG-CG2 4.43Å; Y444-I448 HydrophobicContact CD1-CD1 4.19Å; Y444-I448 HydrophobicContact CE1-CD1 3.58Å; Y444-I448 HydrophobicContact CE2-CD1 4.07Å; Y444-I448 HydrophobicContact CE2-CG1 4.47Å; Y444-I448 PolarHBondContact O-N 3.22Å; Y444-I448 VanDerWaalsContact O-N 3.12Å; M445-I448 PolarHBondContact O-N 3.17Å; L446-I448 PolarHBondContact O-N 3.41Å
449L94.5Very high86.4Confident1 Ų149.2 Ų49.21%0.00527%0.27CS..Hα-helixtrans-67.6-38.2-176.7-73.6177.1000113I395 V402 R403 M424 M445 L446 R447 M455 F467I395-L449 HydrophobicContact CD1-CD1 3.81Å; I395-L449 HydrophobicContact CD1-CG 4.21Å; I395-L449 HydrophobicContact CG1-CD1 4.3Å; I395-L449 HydrophobicContact CG1-CD2 4.17Å; I395-L449 HydrophobicContact CG1-CG 4.29Å; I395-L449 HydrophobicContact CG2-CD2 4.35Å; I395-L449 HydrophobicContact CG2-CG 4.14Å; V402-L449 HydrophobicContact CB-CD2 3.95Å; V402-L449 HydrophobicContact CG1-CD1 4.35Å; V402-L449 HydrophobicContact CG1-CD2 3.87Å; R403-L449 HydrophobicContact CG-CD2 4.16Å; M424-L449 HydrophobicContact CE-CD1 4.18Å; M424-L449 HydrophobicContact SD-CD1 4.34Å; M445-L449 WeakPolarHBondContact O-CG 3.46Å; M445-L449 PolarHBondContact O-N 2.88Å; M445-L449 VanDerWaalsContact O-N 3.14Å; L446-L449 PolarHBondContact O-N 3.16Å; R447-L449 VanDerWaalsContact C-N 3.32Å; R447-L449 PolarHBondContact O-N 3.25Å; L449-M455 WeakPolarHBondContact O-CE 3.42Å; L449-F467 WeakPolarHBondContact O-CE1 3.49Å
450I94.4Very high84.6Confident2 Ų253.3 Ų53.31%0.0130%0.295CS..Hα-helixtrans-91.3-7-177.773-169.7000113.4L446 R447 P452 M455 F471 L509 F512 H517L446-I450 VanDerWaalsContact O-CG1 3.29Å; L446-I450 WeakPolarHBondContact O-CG1 3.45Å; L446-I450 PolarHBondContact O-N 3.44Å; R447-I450 PolarHBondContact O-N 3.32Å; I450-P452 WeakPolarHBondContact O-CD 2.92Å; I450-M455 WeakPolarHBondContact O-CE 3.23Å; I450-F471 HydrophobicContact CD1-CZ 4.37Å; I450-F471 HydrophobicContact CG2-CD2 3.83Å; I450-F471 HydrophobicContact CG2-CE2 3.76Å; I450-F471 HydrophobicContact CG2-CG 4.25Å; I450-F471 HydrophobicContact CG2-CZ 4.11Å; I450-L509 HydrophobicContact CD1-CD2 4.45Å; I450-F512 HydrophobicContact CD1-CD1 4.28Å; I450-F512 HydrophobicContact CD1-CE1 4.49Å; I450-F512 HydrophobicContact CG1-CD1 4.19Å; I450-F512 HydrophobicContact CG1-CE1 3.9Å; I450-H517 PolarHBondContact O-NE2 2.65Å
451D93.3Very high82.7Confident27 Ų2759.8 Ų59.814%0.14432%0.316CS..  trans-66.8114.1179.8-168.8-16.8000112.4R447 D453 N454 M455 F512R447-D451 WeakPolarHBondContact O-CB 3.49Å; R447-D451 PolarHBondContact O-N 3.23Å; D451-D453 PolarHBondContact O-N 3.46Å; D451-D453 WeakPolarHBondContact OD1-CB 3.35Å; D451-D453 PolarHBondContact OD1-N 3.47Å; D451-N454 HydrophobicContact CB-CB 4.18Å; D451-N454 PolarHBondContact O-N 3.46Å; D451-N454 VanDerWaalsContact O-N 3.1Å; D451-M455 WeakPolarHBondContact O-CG 3.37Å; D451-F512 HydrophobicContact CB-CE1 4.3Å; D451-F512 HydrophobicContact CB-CZ 3.71Å
452P90.9Very high81.6Confident7 Ų760.3 Ų60.35%0.04532%0.323CS..G310 helixtrans-63-26.9177.9-20.534000113.8I450 N454 M455 K464 L468I450-P452 WeakPolarHBondContact O-CD 2.92Å; P452-N454 PolarHBondContact O-N 2.88Å; P452-M455 PolarHBondContact O-N 3.29Å; P452-M455 VanDerWaalsContact O-N 3.16Å; P452-K464 HydrophobicContact CB-CD 4.26Å; P452-K464 HydrophobicContact CB-CG 4.47Å; P452-L468 HydrophobicContact CG-CD1 4.29Å
453D87.2Confident80.6Confident80 Ų8062 Ų6243%0.42833%0.331SS..G310 helixtrans-69.9-24.4178.5-69.3-30.4000111.1D451 M455 N456 R670D451-D453 PolarHBondContact O-N 3.46Å; D451-D453 WeakPolarHBondContact OD1-CB 3.35Å; D451-D453 PolarHBondContact OD1-N 3.47Å; D453-M455 VanDerWaalsContact C-N 3.34Å; D453-N456 PolarHBondContact O-ND2 2.96Å; D453-R670 IonicContact OD1-CZ 3.5Å; D453-R670 IonicContact OD1-NH2 3.87Å; D453-R670 PolarHBondContact OD1-NH2 3.11Å; D453-R670 IonicContact OD2-NH2 3.95Å; D453-R670 PolarHBondContact OD2-NH2 3.43Å
454N86Confident80.1Confident69 Ų6964.2 Ų64.237%0.36934%0.338SS..G310 helixtrans-86.14.3173.5-67.3-22000114R403 D451 P452R403-N454 PolarHBondContact NH1-O 3.27Å; R403-N454 PolarHBondContact NH2-O 3.11Å; D451-N454 HydrophobicContact CB-CB 4.18Å; D451-N454 PolarHBondContact O-N 3.46Å; D451-N454 VanDerWaalsContact O-N 3.1Å; P452-N454 PolarHBondContact O-N 2.88Å
455M85.7Confident79.6Confident6 Ų660.2 Ų60.23%0.0333%0.326CS..G310 helixtrans-104.611.3-178.4-62.1174.7-170.500113.4L449 I450 D451 P452 D453 N457 K464 F467 L468L449-M455 WeakPolarHBondContact O-CE 3.42Å; I450-M455 WeakPolarHBondContact O-CE 3.23Å; D451-M455 WeakPolarHBondContact O-CG 3.37Å; P452-M455 PolarHBondContact O-N 3.29Å; P452-M455 VanDerWaalsContact O-N 3.16Å; D453-M455 VanDerWaalsContact C-N 3.34Å; M455-N457 PolarHBondContact O-N 3.33Å; M455-K464 HydrophobicContact CB-CB 4.11Å; M455-K464 HydrophobicContact SD-CB 4.18Å; M455-K464 HydrophobicContact SD-CG 4.1Å; M455-F467 HydrophobicContact CE-CD1 3.6Å; M455-F467 HydrophobicContact CE-CE1 4.01Å; M455-F467 HydrophobicContact SD-CD1 4.45Å; M455-L468 HydrophobicContact CE-CD2 4.22Å; M455-L468 HydrophobicContact SD-CG 4.42Å
456N66.5Low79.1Confident105 Ų10563.3 Ų63.356%0.56134%0.342SS*.  trans-82.927.9-170.7-68.6-29.5000115.2D453 S458D453-N456 PolarHBondContact O-ND2 2.96Å; N456-S458 PolarHBondContact O-N 3.21Å; N456-S458 PolarHBondContact O-OG 3.29Å
457N60Low78.8Confident87 Ų8763.3 Ų63.347%0.46534%0.342SS..  trans-59.2110.2174.8-87.4-11.6000109.6S400 M455 G459 V460S400-N457 WeakPolarHBondContact CB-ND2 3.16Å; S400-N457 PolarHBondContact OG-ND2 3.22Å; M455-N457 PolarHBondContact O-N 3.33Å; N457-G459 PolarHBondContact O-N 3.26Å; N457-V460 PolarHBondContact O-N 2.75Å
458S52.1Low78.6Confident133 Ų13357 Ų5793%0.9332%0.319SS*.THydrogen-bonded Turntrans-69.39.8-162.6-44.30000115.2N456N456-S458 PolarHBondContact O-N 3.21Å; N456-S458 PolarHBondContact O-OG 3.29Å
459G54.3Low78.4Confident75 Ų7557.7 Ų57.777%0.77333%0.325SS*.THydrogen-bonded Turntrans-104.4-23.7-178.400000115.6N457N457-G459 PolarHBondContact O-N 3.26Å
460V54.9Low78.2Confident87 Ų8758.3 Ų58.353%0.52733%0.328SS..  trans-134.490.1-175.6-172.80000109N457 S462 E463N457-V460 PolarHBondContact O-N 2.75Å; V460-S462 WeakPolarHBondContact CG1-OG 3.25Å; V460-S462 PolarHBondContact O-N 3.45Å; V460-E463 PolarHBondContact O-N 3.43Å
461R52.7Low78.2Confident250 Ų25058.3 Ų58.394%0.94333%0.328SS*.THydrogen-bonded Turntrans-56.6-9179.4-116.3178.7175.1177-3.5114.4
462S69.8Low78.2Confident50 Ų5058.2 Ų58.235%0.3533%0.326SS..THydrogen-bonded Turntrans-99.2-14.4-178.778.60000115.4V460 K464 T465 D466V460-S462 WeakPolarHBondContact CG1-OG 3.25Å; V460-S462 PolarHBondContact O-N 3.45Å; S462-K464 VanDerWaalsContact C-N 3.26Å; S462-K464 PolarHBondContact O-N 3.37Å; S462-K464 VanDerWaalsContact O-N 3.16Å; S462-T465 PolarHBondContact O-N 2.7Å; S462-T465 VanDerWaalsContact O-N 3.16Å; S462-D466 WeakPolarHBondContact CB-OD2 3.5Å; S462-D466 WeakPolarHBondContact O-CB 3.15Å; S462-D466 PolarHBondContact O-N 3.07Å; S462-D466 PolarHBondContact OG-OD2 3.3Å
463E76Confident78.3Confident36 Ų3664.9 Ų64.917%0.16835%0.354CS..Hα-helixtrans-55-43.9-172.1-173-171157.500111.6R403 V460 F467R403-E463 IonicContact CZ-OE1 2.86Å; R403-E463 IonicContact NE-OE1 2.71Å; R403-E463 PolarHBondContact NE-OE1 3.16Å; R403-E463 IonicContact NH2-OE1 3.95Å; R403-E463 PolarHBondContact NH2-OE1 2.74Å; V460-E463 PolarHBondContact O-N 3.43Å; E463-F467 WeakPolarHBondContact O-CB 3.42Å; E463-F467 PolarHBondContact O-N 2.81Å
464K84.4Confident78.5Confident55 Ų5563 Ų6324%0.23934%0.341CS..Hα-helixtrans-59.2-55178.9177.2-173.5162.7-163.40112.1P452 M455 S462 L468P452-K464 HydrophobicContact CB-CD 4.26Å; P452-K464 HydrophobicContact CB-CG 4.47Å; M455-K464 HydrophobicContact CB-CB 4.11Å; M455-K464 HydrophobicContact SD-CB 4.18Å; M455-K464 HydrophobicContact SD-CG 4.1Å; S462-K464 VanDerWaalsContact C-N 3.26Å; S462-K464 PolarHBondContact O-N 3.37Å; S462-K464 VanDerWaalsContact O-N 3.16Å; K464-L468 HydrophobicContact CG-CD1 3.95Å; K464-L468 WeakPolarHBondContact O-CB 2.81Å; K464-L468 VanDerWaalsContact O-CG 3.26Å; K464-L468 WeakPolarHBondContact O-CG 3.39Å; K464-L468 PolarHBondContact O-N 3.08Å
465T84.6Confident78.9Confident35 Ų3559.7 Ų59.722%0.21532%0.323CS..Hα-helixtrans-65.6-42.9-176.1-55.20000111.2S462 S469S462-T465 PolarHBondContact O-N 2.7Å; S462-T465 VanDerWaalsContact O-N 3.16Å; T465-S469 VanDerWaalsContact O-CB 3.22Å; T465-S469 WeakPolarHBondContact O-CB 3.08Å; T465-S469 PolarHBondContact O-N 3.3Å; T465-S469 PolarHBondContact O-OG 2.92Å
466D86.2Confident79.4Confident64 Ų6459.4 Ų59.434%0.34232%0.322SS..Hα-helixtrans-65.8-46.1-178.4-63.5-25.6000111F407 S462 S469 F470F407-D466 HydrophobicContact CE2-CB 3.89Å; F407-D466 HydrophobicContact CZ-CB 4.03Å; S462-D466 WeakPolarHBondContact CB-OD2 3.5Å; S462-D466 WeakPolarHBondContact O-CB 3.15Å; S462-D466 PolarHBondContact O-N 3.07Å; S462-D466 PolarHBondContact OG-OD2 3.3Å; D466-S469 PolarHBondContact O-N 3.4Å; D466-F470 WeakPolarHBondContact O-CB 3.36Å; D466-F470 PolarHBondContact O-N 3.04Å
467F90.2Very high80.7Confident4 Ų457.2 Ų57.22%0.01831%0.31CS..Hα-helixtrans-69.7-43.3-179-174.4-94.8000112.5R403 I421 L449 M455 E463 F470 F471R403-F467 HydrophobicContact CB-CD2 3.85Å; R403-F467 HydrophobicContact CB-CE2 3.8Å; R403-F467 HydrophobicContact CB-CZ 4.41Å; R403-F467 HydrophobicContact CG-CD1 4.41Å; R403-F467 HydrophobicContact CG-CD2 3.94Å; R403-F467 HydrophobicContact CG-CE1 4.12Å; R403-F467 HydrophobicContact CG-CE2 3.62Å; R403-F467 HydrophobicContact CG-CG 4.32Å; R403-F467 HydrophobicContact CG-CZ 3.71Å; I421-F467 HydrophobicContact CD1-CE2 4.14Å; I421-F467 HydrophobicContact CD1-CZ 3.65Å; L449-F467 WeakPolarHBondContact O-CE1 3.49Å; M455-F467 HydrophobicContact CE-CD1 3.6Å; M455-F467 HydrophobicContact CE-CE1 4.01Å; M455-F467 HydrophobicContact SD-CD1 4.45Å; E463-F467 WeakPolarHBondContact O-CB 3.42Å; E463-F467 PolarHBondContact O-N 2.81Å; F467-F470 HydrophobicContact CD2-CD1 4.46Å; F467-F470 HydrophobicContact CE2-CD1 4.4Å; F467-F470 WeakPolarHBondContact O-CB 3.42Å; F467-F470 PolarHBondContact O-N 2.6Å; F467-F471 PolarHBondContact O-N 2.98Å
468L92.1Very high82.4Confident2 Ų254.4 Ų54.41%0.0130%0.296CS..Hα-helixtrans-64.5-41.4176.1-70176.5000111P452 M455 K464 F470 F471 Y472 H520P452-L468 HydrophobicContact CG-CD1 4.29Å; M455-L468 HydrophobicContact CE-CD2 4.22Å; M455-L468 HydrophobicContact SD-CG 4.42Å; K464-L468 HydrophobicContact CG-CD1 3.95Å; K464-L468 WeakPolarHBondContact O-CB 2.81Å; K464-L468 VanDerWaalsContact O-CG 3.26Å; K464-L468 WeakPolarHBondContact O-CG 3.39Å; K464-L468 PolarHBondContact O-N 3.08Å; L468-F470 VanDerWaalsContact C-N 3.32Å; L468-F470 PolarHBondContact O-N 2.87Å; L468-F471 PolarHBondContact O-N 3.32Å; L468-F471 VanDerWaalsContact O-N 3.17Å; L468-Y472 VanDerWaalsContact O-CD2 3.32Å; L468-Y472 WeakPolarHBondContact O-CD2 3.4Å; L468-Y472 PolarHBondContact O-N 3.31Å; L468-H520 WeakPolarHBondContact CB-NE2 3.41Å
469S90.5Very high84.6Confident37 Ų3748.1 Ų48.126%0.25925%0.252SS..Hα-helixtrans-59.1-44.1174.6-60.40000111.6T465 D466 K473T465-S469 VanDerWaalsContact O-CB 3.22Å; T465-S469 WeakPolarHBondContact O-CB 3.08Å; T465-S469 PolarHBondContact O-N 3.3Å; T465-S469 PolarHBondContact O-OG 2.92Å; D466-S469 PolarHBondContact O-N 3.4Å; S469-K473 VanDerWaalsContact O-CB 3.23Å; S469-K473 WeakPolarHBondContact O-CB 3.43Å; S469-K473 PolarHBondContact O-N 3.1Å
470F91.2Very high86.6Confident13 Ų1344.7 Ų44.76%0.05722%0.216CC..Hα-helixtrans-58.2-49.5172.3160.5-99.9000112.3V406 T410 L419 I421 D466 F467 L468 Y472 K473 R474V406-F470 HydrophobicContact CG1-CD1 4.42Å; V406-F470 HydrophobicContact CG1-CE1 3.4Å; V406-F470 VanDerWaalsContact CG1-CE1 3.4Å; V406-F470 HydrophobicContact CG1-CZ 3.57Å; T410-F470 HydrophobicContact CG2-CD2 3.35Å; T410-F470 HydrophobicContact CG2-CE2 3.54Å; T410-F470 HydrophobicContact CG2-CG 4.11Å; T410-F470 HydrophobicContact CG2-CZ 4.43Å; L419-F470 HydrophobicContact CD1-CE2 4.03Å; L419-F470 HydrophobicContact CD1-CZ 4Å; L419-F470 HydrophobicContact CD2-CE2 4.47Å; L419-F470 HydrophobicContact CD2-CZ 4.44Å; I421-F470 HydrophobicContact CD1-CE1 4.26Å; D466-F470 WeakPolarHBondContact O-CB 3.36Å; D466-F470 PolarHBondContact O-N 3.04Å; F467-F470 HydrophobicContact CD2-CD1 4.46Å; F467-F470 HydrophobicContact CE2-CD1 4.4Å; F467-F470 WeakPolarHBondContact O-CB 3.42Å; F467-F470 PolarHBondContact O-N 2.6Å; L468-F470 VanDerWaalsContact C-N 3.32Å; L468-F470 PolarHBondContact O-N 2.87Å; F470-Y472 PolarHBondContact O-N 3.28Å; F470-K473 PolarHBondContact O-N 3.27Å; F470-R474 HydrophobicContact CD2-CB 4.28Å; F470-R474 HydrophobicContact CD2-CG 4.31Å; F470-R474 HydrophobicContact CE2-CB 4.02Å; F470-R474 HydrophobicContact CE2-CG 4.35Å; F470-R474 PolarHBondContact O-N 3.49Å
471F93.5Very high88.6Confident3 Ų348.3 Ų48.31%0.01322%0.22CC..Hα-helixtrans-59.1-47-178.7174.4-99.4000111.8I450 F467 L468 C475 I476 L479I450-F471 HydrophobicContact CD1-CZ 4.37Å; I450-F471 HydrophobicContact CG2-CD2 3.83Å; I450-F471 HydrophobicContact CG2-CE2 3.76Å; I450-F471 HydrophobicContact CG2-CG 4.25Å; I450-F471 HydrophobicContact CG2-CZ 4.11Å; F467-F471 PolarHBondContact O-N 2.98Å; L468-F471 PolarHBondContact O-N 3.32Å; L468-F471 VanDerWaalsContact O-N 3.17Å; F471-C475 HydrophobicContact CD2-CB 3.62Å; F471-C475 HydrophobicContact CE2-CB 3.96Å; F471-C475 HydrophobicContact CG-CB 4.37Å; F471-C475 CarbonylContact O-C 3.58Å; F471-C475 WeakPolarHBondContact O-CA 3.34Å; F471-C475 WeakPolarHBondContact O-CB 3.38Å; F471-C475 PolarHBondContact O-N 3.36Å; F471-I476 HydrophobicContact CD1-CB 4.49Å; F471-I476 HydrophobicContact CE1-CB 4.07Å; F471-I476 HydrophobicContact CE1-CD1 4.2Å; F471-I476 HydrophobicContact CE1-CG1 4.23Å; F471-I476 HydrophobicContact CZ-CB 4.4Å; F471-I476 PolarHBondContact O-N 2.64Å; F471-L479 HydrophobicContact CZ-CD2 4.34Å
472Y94.5Very high90.6Very high24 Ų2438 Ų389%0.09419%0.186CC..Hα-helixtrans-70.8-28.5178.8-82.8-91.2000113.3L468 F470 I476 H517 H520 M521 Y524L468-Y472 VanDerWaalsContact O-CD2 3.32Å; L468-Y472 WeakPolarHBondContact O-CD2 3.4Å; L468-Y472 PolarHBondContact O-N 3.31Å; F470-Y472 PolarHBondContact O-N 3.28Å; Y472-I476 HydrophobicContact CD1-CD1 3.48Å; Y472-I476 VanDerWaalsContact CD1-CD1 3.48Å; Y472-I476 HydrophobicContact CD1-CG2 4.24Å; Y472-I476 HydrophobicContact CE1-CD1 3.26Å; Y472-I476 HydrophobicContact CG-CD1 4.37Å; Y472-I476 WeakPolarHBondContact O-CG2 3.34Å; Y472-H517 HydrophobicContact CE2-CB 4.18Å; Y472-H517 AromaticContact CE2-ND1 3.34Å; Y472-H517 VanDerWaalsContact CE2-ND1 3.34Å; Y472-H517 WeakPolarHBondContact CE2-ND1 3.3Å; Y472-H517 AromaticContact CZ-ND1 3.56Å; Y472-H517 WeakPolarHBondContact OH-CB 3.31Å; Y472-H517 PolarHBondContact OH-ND1 2.89Å; Y472-H520 HydrophobicContact CD1-CB 4.3Å; Y472-H520 HydrophobicContact CD2-CB 3.63Å; Y472-H520 HydrophobicContact CE1-CB 4.09Å; Y472-H520 HydrophobicContact CE2-CB 3.4Å; Y472-H520 HydrophobicContact CG-CB 4.1Å; Y472-M521 HydrophobicContact CE1-SD 4.16Å; Y472-M521 WeakPolarHBondContact OH-CB 3.47Å; Y472-M521 PolarHBondContact OH-SD 3.38Å; Y472-Y524 HydrophobicContact CD1-CD2 4.01Å; Y472-Y524 HydrophobicContact CD1-CG 4.12Å; Y472-Y524 HydrophobicContact CE1-CD2 4.45Å; Y472-Y524 HydrophobicContact CE1-CG 4.1Å
473K91.7Very high91.9Very high148 Ų14835.6 Ų35.664%0.64317%0.169SC*.Hα-helixtrans-77.1-42.1177.3-169.6166-175.5163.50112.1S469 F470 E689S469-K473 VanDerWaalsContact O-CB 3.23Å; S469-K473 WeakPolarHBondContact O-CB 3.43Å; S469-K473 PolarHBondContact O-N 3.1Å; F470-K473 PolarHBondContact O-N 3.27Å; K473-E689 IonicContact NZ-OE2 2.72Å
474R91.4Very high92.9Very high39 Ų3936 Ų3615%0.14717%0.17CC..Hα-helixtrans-120.8-16.3-165.5-59.6-168.164.8-175.6-0.5116.5R414 D416 L419 N422 F470R414-R474 PolarHBondContact O-NH2 2.79Å; D416-R474 IonicContact OD1-CZ 3.24Å; D416-R474 IonicContact OD1-NE 3.31Å; D416-R474 PolarHBondContact OD1-NE 3.19Å; D416-R474 IonicContact OD1-NH2 3.34Å; D416-R474 PolarHBondContact OD1-NH2 2.75Å; L419-R474 HydrophobicContact CD1-CB 4.12Å; N422-R474 PolarHBondContact ND2-O 3.35Å; F470-R474 HydrophobicContact CD2-CB 4.28Å; F470-R474 HydrophobicContact CD2-CG 4.31Å; F470-R474 HydrophobicContact CE2-CB 4.02Å; F470-R474 HydrophobicContact CE2-CG 4.35Å; F470-R474 PolarHBondContact O-N 3.49Å
475C94.6Very high93.4Very high0 Ų037.4 Ų37.40%018%0.18CC..THydrogen-bonded Turntrans-117.7-40.2-172.8-60.80000113.9I421 N422 I425 F471 N477 T478 L479I421-C475 HydrophobicContact CG2-CB 3.98Å; N422-C475 WeakPolarHBondContact OD1-CA 3.45Å; I425-C475 HydrophobicContact CD1-CB 4.2Å; F471-C475 HydrophobicContact CD2-CB 3.62Å; F471-C475 HydrophobicContact CE2-CB 3.96Å; F471-C475 HydrophobicContact CG-CB 4.37Å; F471-C475 CarbonylContact O-C 3.58Å; F471-C475 WeakPolarHBondContact O-CA 3.34Å; F471-C475 WeakPolarHBondContact O-CB 3.38Å; F471-C475 PolarHBondContact O-N 3.36Å; C475-N477 PolarHBondContact O-N 3.47Å; C475-T478 VanDerWaalsContact O-CB 3.31Å; C475-T478 WeakPolarHBondContact O-CB 3.4Å; C475-T478 PolarHBondContact O-N 3.15Å; C475-L479 PolarHBondContact O-N 3.35Å
476I95.7Very high93.9Very high1 Ų136.2 Ų36.21%0.00517%0.173CC..Hα-helixtrans-60.1-34.7-173.9-164.5165.8000112.8F471 Y472 T478 L479 V480 Y524F471-I476 HydrophobicContact CD1-CB 4.49Å; F471-I476 HydrophobicContact CE1-CB 4.07Å; F471-I476 HydrophobicContact CE1-CD1 4.2Å; F471-I476 HydrophobicContact CE1-CG1 4.23Å; F471-I476 HydrophobicContact CZ-CB 4.4Å; F471-I476 PolarHBondContact O-N 2.64Å; Y472-I476 HydrophobicContact CD1-CD1 3.48Å; Y472-I476 VanDerWaalsContact CD1-CD1 3.48Å; Y472-I476 HydrophobicContact CD1-CG2 4.24Å; Y472-I476 HydrophobicContact CE1-CD1 3.26Å; Y472-I476 HydrophobicContact CG-CD1 4.37Å; Y472-I476 WeakPolarHBondContact O-CG2 3.34Å; I476-T478 VanDerWaalsContact C-N 3.29Å; I476-T478 PolarHBondContact O-N 3.1Å; I476-L479 WeakPolarHBondContact O-CB 3.34Å; I476-L479 PolarHBondContact O-N 3.07Å; I476-V480 HydrophobicContact CG1-CG1 4.25Å; I476-V480 WeakPolarHBondContact O-CG2 3.45Å; I476-V480 PolarHBondContact O-N 2.77Å; I476-Y524 HydrophobicContact CD1-CD1 3.93Å; I476-Y524 HydrophobicContact CD1-CD2 4.17Å; I476-Y524 HydrophobicContact CD1-CE1 3.92Å; I476-Y524 HydrophobicContact CD1-CE2 4.17Å; I476-Y524 HydrophobicContact CD1-CG 4.05Å; I476-Y524 HydrophobicContact CG1-CE1 4.23Å; I476-Y524 HydrophobicContact CG1-CE2 4.31Å; I476-Y524 HydrophobicContact CG2-CD2 4.08Å; I476-Y524 HydrophobicContact CG2-CE2 3.48Å; I476-Y524 VanDerWaalsContact CG2-CE2 3.48Å
477N94.6Very high94.4Very high59 Ų5933.1 Ų33.132%0.31616%0.156SC..Hα-helixtrans-66.6-32.7179-64.5-47.2000111.8C475 R481 Y524C475-N477 PolarHBondContact O-N 3.47Å; N477-R481 WeakPolarHBondContact O-CB 3.48Å; N477-R481 PolarHBondContact O-N 3.23Å; N477-Y524 PolarHBondContact OD1-OH 3.12Å; N477-Y524 VanDerWaalsContact OD1-OH 3.14Å
478T95.7Very high94.4Very high27 Ų2735.5 Ų35.517%0.16617%0.174CC..Hα-helixtrans-65.7-45.6172-47.10000110.4N422 I425 L429 C475 I476 R481N422-T478 HydrophobicContact CB-CG2 4.46Å; N422-T478 WeakPolarHBondContact OD1-CB 3.41Å; N422-T478 PolarHBondContact OD1-OG1 3.31Å; I425-T478 HydrophobicContact CB-CG2 4.41Å; I425-T478 HydrophobicContact CG2-CG2 3.8Å; L429-T478 WeakPolarHBondContact CD1-O 3.34Å; C475-T478 VanDerWaalsContact O-CB 3.31Å; C475-T478 WeakPolarHBondContact O-CB 3.4Å; C475-T478 PolarHBondContact O-N 3.15Å; I476-T478 VanDerWaalsContact C-N 3.29Å; I476-T478 PolarHBondContact O-N 3.1Å; T478-R481 PolarHBondContact O-N 3.26Å
479L97.1Very high94.2Very high2 Ų242.3 Ų42.31%0.0120%0.203CC..Hα-helixtrans-61.6-46.1-179.8177.163.8000112.4I425 F471 C475 I476 I506 L509I425-L479 HydrophobicContact CD1-CB 4.15Å; I425-L479 HydrophobicContact CG2-CB 4.2Å; I425-L479 HydrophobicContact CG2-CD1 4.36Å; F471-L479 HydrophobicContact CZ-CD2 4.34Å; C475-L479 PolarHBondContact O-N 3.35Å; I476-L479 WeakPolarHBondContact O-CB 3.34Å; I476-L479 PolarHBondContact O-N 3.07Å; L479-I506 HydrophobicContact CD1-CG1 4.26Å; L479-I506 WeakPolarHBondContact O-CD1 3.43Å; L479-L509 HydrophobicContact CD1-CD1 3.88Å; L479-L509 HydrophobicContact CD2-CB 4.36Å; L479-L509 HydrophobicContact CD2-CD1 4.24Å
480V97.2Very high94.1Very high3 Ų344 Ų442%0.01821%0.209CC..Hα-helixtrans-86.1-7.7-175-55.40000113.9I476 P482 L483 F484 L510 Y524I476-V480 HydrophobicContact CG1-CG1 4.25Å; I476-V480 WeakPolarHBondContact O-CG2 3.45Å; I476-V480 PolarHBondContact O-N 2.77Å; V480-P482 VanDerWaalsContact C-N 3.35Å; V480-L483 WeakPolarHBondContact O-CA 3.49Å; V480-L483 VanDerWaalsContact O-CB 3.29Å; V480-L483 WeakPolarHBondContact O-CB 3.45Å; V480-L483 PolarHBondContact O-N 3.31Å; V480-F484 HydrophobicContact CB-CD2 3.85Å; V480-F484 HydrophobicContact CB-CE2 3.92Å; V480-F484 HydrophobicContact CG2-CD2 3.56Å; V480-F484 HydrophobicContact CG2-CE2 3.6Å; V480-F484 WeakPolarHBondContact O-CD2 3.37Å; V480-F484 PolarHBondContact O-N 3.03Å; V480-F484 VanDerWaalsContact O-N 3.1Å; V480-L510 HydrophobicContact CG1-CD1 4.23Å; V480-L510 HydrophobicContact CG1-CD2 3.84Å; V480-Y524 HydrophobicContact CG1-CE1 4.44Å; V480-Y524 WeakPolarHBondContact CG2-OH 3.32Å
481R96Very high94.1Very high162 Ų16246.9 Ų46.961%0.61123%0.228SC*.Hα-helixtrans-50.5-47.1-174.8175.5177.5-179.2177.42.6113.2N477 T478 L483 F484 D485N477-R481 WeakPolarHBondContact O-CB 3.48Å; N477-R481 PolarHBondContact O-N 3.23Å; T478-R481 PolarHBondContact O-N 3.26Å; R481-L483 VanDerWaalsContact C-N 3.28Å; R481-L483 PolarHBondContact O-N 3.35Å; R481-F484 PolarHBondContact O-N 3.49Å; R481-F484 VanDerWaalsContact O-N 3.15Å; R481-D485 VanDerWaalsContact CG-OD2 3.25Å; R481-D485 WeakPolarHBondContact CG-OD2 3.24Å; R481-D485 IonicContact NE-OD2 3.76Å; R481-D485 PolarHBondContact NE-OD2 3.47Å; R481-D485 WeakPolarHBondContact O-CB 3.47Å; R481-D485 PolarHBondContact O-N 3.29Å
482P95.8Very high94Very high33 Ų3348.3 Ų48.321%0.21424%0.235CC..Hα-helixtrans-61.6-33.8177.8-2537.1000113.7L429 V480 N486 L503 I506L429-P482 HydrophobicContact CD1-CG 3.72Å; L429-P482 HydrophobicContact CD2-CG 3.83Å; L429-P482 HydrophobicContact CG-CG 4.24Å; V480-P482 VanDerWaalsContact C-N 3.35Å; P482-N486 WeakPolarHBondContact O-CB 3.29Å; P482-N486 PolarHBondContact O-N 2.87Å; P482-L503 HydrophobicContact CB-CD2 4.45Å; P482-I506 HydrophobicContact CB-CD1 3.99Å; P482-I506 HydrophobicContact CG-CD1 4.05Å
483L97.3Very high93.9Very high1 Ų152 Ų521%0.00525%0.253CS..Hα-helixtrans-64.4-47.5174.6172.166.3000110.9V480 R481 T487 L503 L510 L530 R533 V534 L537V480-L483 WeakPolarHBondContact O-CA 3.49Å; V480-L483 VanDerWaalsContact O-CB 3.29Å; V480-L483 WeakPolarHBondContact O-CB 3.45Å; V480-L483 PolarHBondContact O-N 3.31Å; R481-L483 VanDerWaalsContact C-N 3.28Å; R481-L483 PolarHBondContact O-N 3.35Å; L483-T487 HydrophobicContact CD1-CG2 4.22Å; L483-T487 WeakPolarHBondContact O-CB 3.14Å; L483-T487 VanDerWaalsContact O-CG2 3.3Å; L483-T487 WeakPolarHBondContact O-CG2 3.41Å; L483-T487 PolarHBondContact O-N 3.13Å; L483-T487 PolarHBondContact O-OG1 3.37Å; L483-L503 HydrophobicContact CB-CD2 3.96Å; L483-L503 HydrophobicContact CD1-CD2 4.28Å; L483-L510 HydrophobicContact CD2-CD1 4.04Å; L483-L530 HydrophobicContact CD2-CD1 3.79Å; L483-R533 HydrophobicContact CG-CB 4.49Å; L483-V534 HydrophobicContact CD2-CG2 3.89Å; L483-L537 HydrophobicContact CD1-CD1 3.79Å; L483-L537 HydrophobicContact CD1-CD2 4.18Å; L483-L537 HydrophobicContact CD1-CG 4.12Å
484F96.3Very high94Very high43 Ų4350.2 Ų50.219%0.18925%0.246CC..Hα-helixtrans-70.7-43.2-177.6-83.7-98.3000112.6V480 R481 N486 T487 S488 R528 L530 R533V480-F484 HydrophobicContact CB-CD2 3.85Å; V480-F484 HydrophobicContact CB-CE2 3.92Å; V480-F484 HydrophobicContact CG2-CD2 3.56Å; V480-F484 HydrophobicContact CG2-CE2 3.6Å; V480-F484 WeakPolarHBondContact O-CD2 3.37Å; V480-F484 PolarHBondContact O-N 3.03Å; V480-F484 VanDerWaalsContact O-N 3.1Å; R481-F484 PolarHBondContact O-N 3.49Å; R481-F484 VanDerWaalsContact O-N 3.15Å; F484-N486 VanDerWaalsContact C-N 3.33Å; F484-N486 PolarHBondContact O-N 3.28Å; F484-T487 PolarHBondContact O-N 3.3Å; F484-S488 WeakPolarHBondContact O-CA 3.04Å; F484-S488 PolarHBondContact O-N 3.36Å; F484-R528 HydrophobicContact CE1-CB 4.28Å; F484-R528 WeakPolarHBondContact CE1-O 3.44Å; F484-R528 HydrophobicContact CZ-CB 3.87Å; F484-R528 WeakPolarHBondContact CZ-O 2.86Å; F484-L530 HydrophobicContact CE2-CD1 3.79Å; F484-L530 HydrophobicContact CZ-CD1 4.13Å; F484-R533 HydrophobicContact CD1-CG 4.01Å; F484-R533 HydrophobicContact CE1-CG 3.74Å; F484-R533 HydrophobicContact CZ-CG 4.11Å
485D95.4Very high94.1Very high85 Ų8550.9 Ų50.946%0.45525%0.252SS..Hα-helixtrans-60.7-45.9177.2-70.8-11.2000109.7R481 T487R481-D485 VanDerWaalsContact CG-OD2 3.25Å; R481-D485 WeakPolarHBondContact CG-OD2 3.24Å; R481-D485 IonicContact NE-OD2 3.76Å; R481-D485 PolarHBondContact NE-OD2 3.47Å; R481-D485 WeakPolarHBondContact O-CB 3.47Å; R481-D485 PolarHBondContact O-N 3.29Å; D485-T487 VanDerWaalsContact C-N 3.27Å; D485-T487 PolarHBondContact O-N 3.45Å
486N95.9Very high94Very high10 Ų1053.3 Ų53.35%0.05327%0.265CS..Hα-helixtrans-74.5-9.7-177.7-159.438.4000115P482 F484 L492 E493 K494 L503P482-N486 WeakPolarHBondContact O-CB 3.29Å; P482-N486 PolarHBondContact O-N 2.87Å; F484-N486 VanDerWaalsContact C-N 3.33Å; F484-N486 PolarHBondContact O-N 3.28Å; N486-L492 WeakPolarHBondContact ND2-CD1 3.35Å; N486-E493 PolarHBondContact O-N 2.71Å; N486-E493 VanDerWaalsContact O-N 3.13Å; N486-E493 PolarHBondContact OD1-N 2.66Å; N486-K494 PolarHBondContact ND2-O 2.85Å; N486-K494 WeakPolarHBondContact OD1-CA 3.04Å; N486-K494 WeakPolarHBondContact OD1-CB 3.08Å; N486-K494 PolarHBondContact OD1-N 3.5Å; N486-K494 PolarHBondContact OD1-O 3.5Å; N486-L503 WeakPolarHBondContact ND2-CD1 3.37Å
487T95.9Very high93.9Very high0 Ų059.8 Ų59.80%029%0.29CS..Hα-helixtrans-125.910.9-176.763.40000113.7L483 F484 D485 K489 D490 R533 V536 L537L483-T487 HydrophobicContact CD1-CG2 4.22Å; L483-T487 WeakPolarHBondContact O-CB 3.14Å; L483-T487 VanDerWaalsContact O-CG2 3.3Å; L483-T487 WeakPolarHBondContact O-CG2 3.41Å; L483-T487 PolarHBondContact O-N 3.13Å; L483-T487 PolarHBondContact O-OG1 3.37Å; F484-T487 PolarHBondContact O-N 3.3Å; D485-T487 VanDerWaalsContact C-N 3.27Å; D485-T487 PolarHBondContact O-N 3.45Å; T487-K489 VanDerWaalsContact C-N 3.3Å; T487-K489 PolarHBondContact O-N 3.46Å; T487-D490 PolarHBondContact O-N 3.14Å; T487-D490 VanDerWaalsContact O-N 3.15Å; T487-R533 PolarHBondContact O-NH1 3.09Å; T487-R533 WeakPolarHBondContact OG1-CD 3.41Å; T487-V536 HydrophobicContact CG2-CB 3.9Å; T487-V536 HydrophobicContact CG2-CG1 3.98Å; T487-L537 HydrophobicContact CG2-CD2 3.9Å
488S89.7Confident93.9Very high54 Ų5460 Ų6038%0.37829%0.289SS..THydrogen-bonded Turntrans-56.3-36.3-170.165.30000114.3F484 E493 R533F484-S488 WeakPolarHBondContact O-CA 3.04Å; F484-S488 PolarHBondContact O-N 3.36Å; S488-E493 PolarHBondContact OG-OE1 3.13Å; S488-R533 VanDerWaalsContact CA-NH1 3.33Å; S488-R533 PolarHBondContact O-NH1 3.45Å
489K88.1Confident93.8Very high145 Ų14559.6 Ų59.663%0.6329%0.287SS*.THydrogen-bonded Turntrans-96.419.8-177.7-56.8-170.7-172.890.10114.8T487 T491 E493T487-K489 VanDerWaalsContact C-N 3.3Å; T487-K489 PolarHBondContact O-N 3.46Å; K489-T491 PolarHBondContact O-N 2.86Å; K489-T491 VanDerWaalsContact O-N 3.14Å; K489-E493 IonicContact NZ-OE1 2.73Å; K489-E493 PolarHBondContact NZ-OE1 3.25Å
490D87.7Confident93.7Very high73 Ų7359.6 Ų59.639%0.3929%0.287SS..SBendtrans5623.3-169.1-64.8-26.2000112.4T487 K532 R533T487-D490 PolarHBondContact O-N 3.14Å; T487-D490 VanDerWaalsContact O-N 3.15Å; D490-K532 VanDerWaalsContact CG-NZ 3.31Å; D490-K532 WeakPolarHBondContact OD1-CE 3.48Å; D490-K532 IonicContact OD1-NZ 2.75Å; D490-K532 PolarHBondContact OD1-NZ 3.2Å; D490-K532 IonicContact OD2-NZ 3.16Å; D490-K532 PolarHBondContact OD2-NZ 3.46Å; D490-R533 IonicContact OD1-NH1 2.99Å
491T91.5Very high93.6Very high72 Ų7260.4 Ų60.444%0.44229%0.291SS..SBendtrans-134.9154.1176.859.30000109.1K489K489-T491 PolarHBondContact O-N 2.86Å; K489-T491 VanDerWaalsContact O-N 3.14Å
492L92.7Very high93.5Very high34 Ų3453.1 Ų53.118%0.17827%0.265CS..  trans-82116.8175.8-164.165.1000109.7N486 D495 L537N486-L492 WeakPolarHBondContact ND2-CD1 3.35Å; L492-D495 HydrophobicContact CD2-CB 3.62Å; L492-D495 VanDerWaalsContact CD2-CG 3.42Å; L492-D495 VanDerWaalsContact CD2-OD1 3.28Å; L492-D495 WeakPolarHBondContact CD2-OD1 3.47Å; L492-D495 HydrophobicContact CG-CB 4.24Å; L492-L537 HydrophobicContact CD1-CD2 3.9Å
493E92.1Very high93.6Very high101 Ų10151.6 Ų51.647%0.47226%0.255SS..SBendtrans-80.1-43.7-177.1-60.1-157.8156.400112.4N486 S488 K489N486-E493 PolarHBondContact O-N 2.71Å; N486-E493 VanDerWaalsContact O-N 3.13Å; N486-E493 PolarHBondContact OD1-N 2.66Å; S488-E493 PolarHBondContact OG-OE1 3.13Å; K489-E493 IonicContact NZ-OE1 2.73Å; K489-E493 PolarHBondContact NZ-OE1 3.25Å
494K92.5Very high93.5Very high111 Ų11153 Ų5348%0.48326%0.262SS..  trans-130.6124-177.3-150.7-167.3171.7-133.80109.4N486 D496 T499N486-K494 PolarHBondContact ND2-O 2.85Å; N486-K494 WeakPolarHBondContact OD1-CA 3.04Å; N486-K494 WeakPolarHBondContact OD1-CB 3.08Å; N486-K494 PolarHBondContact OD1-N 3.5Å; N486-K494 PolarHBondContact OD1-O 3.5Å; K494-D496 WeakPolarHBondContact CD-OD1 3.46Å; K494-D496 WeakPolarHBondContact CE-OD1 3.26Å; K494-D496 WeakPolarHBondContact CG-OD1 3.16Å; K494-D496 VanDerWaalsContact NZ-CG 3.3Å; K494-D496 IonicContact NZ-OD1 3.84Å; K494-D496 PolarHBondContact NZ-OD1 2.97Å; K494-D496 IonicContact NZ-OD2 3Å; K494-D496 PolarHBondContact NZ-OD2 3.3Å; K494-D496 VanDerWaalsContact NZ-OD2 3.08Å; K494-T499 WeakPolarHBondContact CD-OG1 3.45Å; K494-T499 PolarHBondContact NZ-OG1 3.29Å
495D94.1Very high93.4Very high52 Ų5251.6 Ų51.628%0.27826%0.256SS..  trans-128.534.5-176.5-164.137.5000111.9L492 S540 S541 H542L492-D495 HydrophobicContact CD2-CB 3.62Å; L492-D495 VanDerWaalsContact CD2-CG 3.42Å; L492-D495 VanDerWaalsContact CD2-OD1 3.28Å; L492-D495 WeakPolarHBondContact CD2-OD1 3.47Å; L492-D495 HydrophobicContact CG-CB 4.24Å; D495-S540 WeakPolarHBondContact OD1-CB 3.35Å; D495-S540 PolarHBondContact OD1-OG 2.99Å; D495-S541 VanDerWaalsContact OD2-CB 3.28Å; D495-S541 WeakPolarHBondContact OD2-CB 3.32Å; D495-S541 PolarHBondContact OD2-N 3.26Å; D495-S541 PolarHBondContact OD2-OG 3.42Å; D495-H542 PolarHBondContact O-NE2 3.36Å; D495-H542 IonicContact OD1-CD2 3.67Å; D495-H542 PolarHBondContact OD1-CD2 3.1Å; D495-H542 IonicContact OD1-NE2 2.7Å
496D93.6Very high93.5Very high51 Ų5147.5 Ų47.527%0.27324%0.235SC..  trans-76.5158.9170.563.9-68.3000111.6K494 H498 T499 A500K494-D496 WeakPolarHBondContact CD-OD1 3.46Å; K494-D496 WeakPolarHBondContact CE-OD1 3.26Å; K494-D496 WeakPolarHBondContact CG-OD1 3.16Å; K494-D496 VanDerWaalsContact NZ-CG 3.3Å; K494-D496 IonicContact NZ-OD1 3.84Å; K494-D496 PolarHBondContact NZ-OD1 2.97Å; K494-D496 IonicContact NZ-OD2 3Å; K494-D496 PolarHBondContact NZ-OD2 3.3Å; K494-D496 VanDerWaalsContact NZ-OD2 3.08Å; D496-H498 PolarHBondContact O-N 3.25Å; D496-T499 VanDerWaalsContact CG-OG1 3.23Å; D496-T499 PolarHBondContact O-N 3.44Å; D496-T499 VanDerWaalsContact OD1-CB 3.28Å; D496-T499 WeakPolarHBondContact OD1-CB 3.44Å; D496-T499 PolarHBondContact OD1-OG1 3.18Å; D496-T499 PolarHBondContact OD2-N 2.94Å; D496-T499 PolarHBondContact OD2-OG1 2.97Å; D496-A500 PolarHBondContact O-N 3.31Å
497Y93.5Very high93.6Very high137 Ų13747 Ų4754%0.53723%0.232SC..Hα-helixtrans-58.5-42.3-174.6-173.3-108.4000113.1A500 L501 F544Y497-A500 PolarHBondContact O-N 2.98Å; Y497-L501 HydrophobicContact CD1-CD1 3.82Å; Y497-L501 HydrophobicContact CD1-CG 4.38Å; Y497-L501 HydrophobicContact CE1-CD1 3.43Å; Y497-L501 VanDerWaalsContact CE1-CD1 3.43Å; Y497-L501 HydrophobicContact CE1-CG 4.1Å; Y497-L501 WeakPolarHBondContact O-CG 3.39Å; Y497-L501 PolarHBondContact O-N 2.94Å; Y497-F544 HydrophobicContact CD2-CE1 4.28Å; Y497-F544 HydrophobicContact CD2-CZ 4.46Å; Y497-F544 AromaticContact CE2-CE1 3.9Å; Y497-F544 HydrophobicContact CE2-CE1 3.9Å; Y497-F544 HydrophobicContact CE2-CZ 4.23Å
498H92.8Very high93.6Very high63 Ų6350.4 Ų50.429%0.29225%0.248SC..Hα-helixtrans-63-50.3178.6179.3-85.3000111.7D431 D496 A500 L501 V502D431-H498 PolarHBondContact O-NE2 2.9Å; D496-H498 PolarHBondContact O-N 3.25Å; H498-A500 VanDerWaalsContact C-N 3.25Å; H498-A500 PolarHBondContact O-N 3.39Å; H498-L501 PolarHBondContact O-N 2.85Å; H498-L501 VanDerWaalsContact O-N 3.12Å; H498-V502 WeakPolarHBondContact O-CG2 3.42Å; H498-V502 PolarHBondContact O-N 3.44Å
499T94Very high94Very high20 Ų2048.2 Ų48.212%0.12323%0.232CC..Hα-helixtrans-57.7-40.2175.5-53.90000111.7K494 D496 L501 V502 L503K494-T499 WeakPolarHBondContact CD-OG1 3.45Å; K494-T499 PolarHBondContact NZ-OG1 3.29Å; D496-T499 VanDerWaalsContact CG-OG1 3.23Å; D496-T499 PolarHBondContact O-N 3.44Å; D496-T499 VanDerWaalsContact OD1-CB 3.28Å; D496-T499 WeakPolarHBondContact OD1-CB 3.44Å; D496-T499 PolarHBondContact OD1-OG1 3.18Å; D496-T499 PolarHBondContact OD2-N 2.94Å; D496-T499 PolarHBondContact OD2-OG1 2.97Å; T499-L501 PolarHBondContact O-N 2.99Å; T499-V502 PolarHBondContact O-N 3.3Å; T499-L503 HydrophobicContact CG2-CD1 3.93Å; T499-L503 HydrophobicContact CG2-CG 4.31Å; T499-L503 WeakPolarHBondContact O-CB 3.49Å; T499-L503 VanDerWaalsContact O-CG 3.23Å; T499-L503 WeakPolarHBondContact O-CG 3.3Å; T499-L503 PolarHBondContact O-N 2.9Å
500A95.3Very high94.4Very high1 Ų141.3 Ų41.31%0.00820%0.202CC..Hα-helixtrans-64.6-38.9178.100000112.7D496 Y497 H498 N504 H542 F544 L545D496-A500 PolarHBondContact O-N 3.31Å; Y497-A500 PolarHBondContact O-N 2.98Å; H498-A500 VanDerWaalsContact C-N 3.25Å; H498-A500 PolarHBondContact O-N 3.39Å; A500-N504 WeakPolarHBondContact O-CB 3.45Å; A500-N504 PolarHBondContact O-N 3.29Å; A500-H542 HydrophobicContact CB-CB 4.08Å; A500-H542 WeakPolarHBondContact CB-CD2 3.49Å; A500-F544 HydrophobicContact CB-CE2 4.27Å; A500-F544 HydrophobicContact CB-CZ 3.8Å; A500-L545 HydrophobicContact CB-CD2 3.99Å
501L94.5Very high94.9Very high21 Ų2138.1 Ų38.111%0.1119%0.185CC..Hα-helixtrans-66.9-41.8174.6-71.5174.8000112.6L436 Y497 H498 T499 N504 H505 F544L436-L501 HydrophobicContact CD1-CB 3.42Å; L436-L501 VanDerWaalsContact CD1-CB 3.42Å; L436-L501 HydrophobicContact CD1-CD1 4.32Å; L436-L501 HydrophobicContact CD1-CG 4.47Å; L436-L501 HydrophobicContact CG-CB 4.31Å; L436-L501 HydrophobicContact CG-CD1 4.37Å; Y497-L501 HydrophobicContact CD1-CD1 3.82Å; Y497-L501 HydrophobicContact CD1-CG 4.38Å; Y497-L501 HydrophobicContact CE1-CD1 3.43Å; Y497-L501 VanDerWaalsContact CE1-CD1 3.43Å; Y497-L501 HydrophobicContact CE1-CG 4.1Å; Y497-L501 WeakPolarHBondContact O-CG 3.39Å; Y497-L501 PolarHBondContact O-N 2.94Å; H498-L501 PolarHBondContact O-N 2.85Å; H498-L501 VanDerWaalsContact O-N 3.12Å; T499-L501 PolarHBondContact O-N 2.99Å; L501-N504 WeakPolarHBondContact O-CB 3.4Å; L501-N504 PolarHBondContact O-N 2.97Å; L501-H505 PolarHBondContact O-N 3.44Å; L501-H505 VanDerWaalsContact O-N 3.09Å; L501-H505 PolarHBondContact O-ND1 2.67Å; L501-F544 HydrophobicContact CD2-CE2 4.02Å; L501-F544 HydrophobicContact CD2-CZ 4Å; L501-F544 HydrophobicContact CG-CZ 4.35Å
502V95.4Very high95.2Very high8 Ų835.4 Ų35.45%0.04817%0.167CC..Hα-helixtrans-62.9-46.1175.4172.50000110.6L429 L436 H498 T499 N504 H505 I506L429-V502 HydrophobicContact CD2-CG1 3.63Å; L436-V502 HydrophobicContact CD1-CG2 4.26Å; H498-V502 WeakPolarHBondContact O-CG2 3.42Å; H498-V502 PolarHBondContact O-N 3.44Å; T499-V502 PolarHBondContact O-N 3.3Å; V502-N504 VanDerWaalsContact C-N 3.29Å; V502-N504 PolarHBondContact O-N 3.12Å; V502-H505 WeakPolarHBondContact O-CB 3.48Å; V502-H505 PolarHBondContact O-N 3.5Å; V502-I506 HydrophobicContact CG1-CD1 4.11Å; V502-I506 WeakPolarHBondContact O-CG1 3.46Å; V502-I506 PolarHBondContact O-N 2.97Å
503L96.8Very high95.4Very high2 Ų233.8 Ų33.81%0.0116%0.158CC..Hα-helixtrans-61.8-38.5175.6-69.1171.8000111.6P482 L483 N486 T499 H505 I506 I507 L537 L545P482-L503 HydrophobicContact CB-CD2 4.45Å; L483-L503 HydrophobicContact CB-CD2 3.96Å; L483-L503 HydrophobicContact CD1-CD2 4.28Å; N486-L503 WeakPolarHBondContact ND2-CD1 3.37Å; T499-L503 HydrophobicContact CG2-CD1 3.93Å; T499-L503 HydrophobicContact CG2-CG 4.31Å; T499-L503 WeakPolarHBondContact O-CB 3.49Å; T499-L503 VanDerWaalsContact O-CG 3.23Å; T499-L503 WeakPolarHBondContact O-CG 3.3Å; T499-L503 PolarHBondContact O-N 2.9Å; L503-H505 VanDerWaalsContact C-N 3.35Å; L503-H505 PolarHBondContact O-N 2.92Å; L503-I506 HydrophobicContact CD2-CD1 4.31Å; L503-I506 PolarHBondContact O-N 3.36Å; L503-I507 VanDerWaalsContact O-CG1 3.25Å; L503-I507 WeakPolarHBondContact O-CG1 3.32Å; L503-I507 PolarHBondContact O-N 3.22Å; L503-L537 HydrophobicContact CD1-CD2 3.96Å; L503-L545 HydrophobicContact CB-CD1 3.84Å; L503-L545 HydrophobicContact CB-CD2 4.33Å; L503-L545 HydrophobicContact CD1-CD2 4.26Å
504N95.7Very high95.5Very high29 Ų2929.1 Ų29.116%0.15514%0.137CC..Hα-helixtrans-58.2-46174.6-175.978.6000111.6A500 L501 V502 I506 I507 E508 F544 L545 A548A500-N504 WeakPolarHBondContact O-CB 3.45Å; A500-N504 PolarHBondContact O-N 3.29Å; L501-N504 WeakPolarHBondContact O-CB 3.4Å; L501-N504 PolarHBondContact O-N 2.97Å; V502-N504 VanDerWaalsContact C-N 3.29Å; V502-N504 PolarHBondContact O-N 3.12Å; N504-I506 PolarHBondContact O-N 3.36Å; N504-I507 PolarHBondContact O-N 3.44Å; N504-E508 WeakPolarHBondContact O-CG 3.26Å; N504-E508 PolarHBondContact O-N 2.9Å; N504-F544 HydrophobicContact CB-CD2 4.29Å; N504-F544 HydrophobicContact CB-CE2 4.12Å; N504-L545 HydrophobicContact CB-CD1 4.27Å; N504-A548 VanDerWaalsContact OD1-CB 3.3Å; N504-A548 WeakPolarHBondContact OD1-CB 3.47Å
505H94.4Very high95.6Very high14 Ų1427 Ų277%0.06513%0.128CC..Hα-helixtrans-59.5-43.8175.1-78.280.5000112.8L428 F440 L501 V502 L503 I507 E508 L509L428-H505 HydrophobicContact CD2-CB 4.29Å; F440-H505 AromaticContact CD1-CE1 3.8Å; F440-H505 AromaticContact CD1-NE2 3.08Å; F440-H505 WeakPolarHBondContact CD1-NE2 3.31Å; F440-H505 AromaticContact CD2-NE2 3.79Å; F440-H505 AromaticContact CE1-CE1 3.52Å; F440-H505 AromaticContact CE1-NE2 3.25Å; F440-H505 VanDerWaalsContact CE1-NE2 3.25Å; F440-H505 WeakPolarHBondContact CE1-NE2 3.37Å; F440-H505 AromaticContact CE2-CE1 3.79Å; F440-H505 AromaticContact CE2-NE2 3.93Å; F440-H505 AromaticContact CG-NE2 3.36Å; F440-H505 WeakPolarHBondContact CG-NE2 3.36Å; F440-H505 AromaticContact CZ-CE1 3.5Å; F440-H505 AromaticContact CZ-NE2 3.68Å; L501-H505 PolarHBondContact O-N 3.44Å; L501-H505 VanDerWaalsContact O-N 3.09Å; L501-H505 PolarHBondContact O-ND1 2.67Å; V502-H505 WeakPolarHBondContact O-CB 3.48Å; V502-H505 PolarHBondContact O-N 3.5Å; L503-H505 VanDerWaalsContact C-N 3.35Å; L503-H505 PolarHBondContact O-N 2.92Å; H505-I507 VanDerWaalsContact C-N 3.33Å; H505-I507 PolarHBondContact O-N 2.88Å; H505-E508 PolarHBondContact O-N 3.18Å; H505-L509 PolarHBondContact O-N 3.48Å; H505-L509 VanDerWaalsContact O-N 3.13Å
506I97.3Very high95.5Very high0 Ų025.5 Ų25.50%012%0.121CC..Hα-helixtrans-60.9-44.2176.3-65165.2000110.2L429 L479 P482 V502 L503 N504 E508 L509 L510L429-I506 HydrophobicContact CD2-CD1 3.8Å; L429-I506 HydrophobicContact CD2-CG1 4.1Å; L479-I506 HydrophobicContact CD1-CG1 4.26Å; L479-I506 WeakPolarHBondContact O-CD1 3.43Å; P482-I506 HydrophobicContact CB-CD1 3.99Å; P482-I506 HydrophobicContact CG-CD1 4.05Å; V502-I506 HydrophobicContact CG1-CD1 4.11Å; V502-I506 WeakPolarHBondContact O-CG1 3.46Å; V502-I506 PolarHBondContact O-N 2.97Å; L503-I506 HydrophobicContact CD2-CD1 4.31Å; L503-I506 PolarHBondContact O-N 3.36Å; N504-I506 PolarHBondContact O-N 3.36Å; I506-E508 PolarHBondContact O-N 2.89Å; I506-L509 PolarHBondContact O-N 3.42Å; I506-L510 HydrophobicContact CG2-CD1 3.75Å; I506-L510 HydrophobicContact CG2-CG 4.19Å; I506-L510 WeakPolarHBondContact O-CB 3.45Å; I506-L510 VanDerWaalsContact O-CG 3.24Å; I506-L510 WeakPolarHBondContact O-CG 3.46Å; I506-L510 PolarHBondContact O-N 3.34Å
507I97.8Very high95.5Very high0 Ų023.1 Ų23.10%011%0.109CC..Hα-helixtrans-64.7-38.7179.7-66.8-60.1000111.9L503 N504 H505 L510 T511 V534 L537 A548 L552L503-I507 VanDerWaalsContact O-CG1 3.25Å; L503-I507 WeakPolarHBondContact O-CG1 3.32Å; L503-I507 PolarHBondContact O-N 3.22Å; N504-I507 PolarHBondContact O-N 3.44Å; H505-I507 VanDerWaalsContact C-N 3.33Å; H505-I507 PolarHBondContact O-N 2.88Å; I507-L510 HydrophobicContact CD1-CD1 4.42Å; I507-L510 PolarHBondContact O-N 2.91Å; I507-T511 WeakPolarHBondContact O-CB 3.44Å; I507-T511 PolarHBondContact O-N 3.25Å; I507-T511 PolarHBondContact O-OG1 2.71Å; I507-V534 HydrophobicContact CD1-CB 4.26Å; I507-V534 HydrophobicContact CD1-CG1 3.73Å; I507-V534 HydrophobicContact CD1-CG2 3.68Å; I507-L537 HydrophobicContact CD1-CD1 3.97Å; I507-L537 HydrophobicContact CG1-CD1 4.01Å; I507-A548 HydrophobicContact CG2-CB 3.94Å; I507-A548 WeakPolarHBondContact CG2-O 3.3Å; I507-L552 HydrophobicContact CD1-CD1 4.16Å; I507-L552 HydrophobicContact CG2-CB 4.06Å; I507-L552 HydrophobicContact CG2-CD1 3.98Å
508E96.5Very high95.4Very high70 Ų7018.6 Ų18.633%0.32710%0.096SC..Hα-helixtrans-62.1-46.5174.8-70.1-60.7148.100111.5N504 H505 I506 L510 T511 F512 R551N504-E508 WeakPolarHBondContact O-CG 3.26Å; N504-E508 PolarHBondContact O-N 2.9Å; H505-E508 PolarHBondContact O-N 3.18Å; I506-E508 PolarHBondContact O-N 2.89Å; E508-L510 PolarHBondContact O-N 2.85Å; E508-T511 WeakPolarHBondContact O-CB 3.44Å; E508-T511 PolarHBondContact O-N 2.7Å; E508-F512 PolarHBondContact O-N 3.18Å; E508-R551 IonicContact OE1-CZ 2.83Å; E508-R551 IonicContact OE1-NH1 3.86Å; E508-R551 PolarHBondContact OE1-NH1 3.01Å
509L97.4Very high95.2Very high8 Ų816.5 Ų16.54%0.0429%0.085CC..Hα-helixtrans-63.3-41.8175.4-74.2171.4000112.4L428 L446 R447 I450 L479 H505 I506 T511 F512 C513L428-L509 HydrophobicContact CD1-CD1 4.3Å; L446-L509 HydrophobicContact CB-CD2 4.42Å; L446-L509 HydrophobicContact CD1-CD1 4.29Å; R447-L509 HydrophobicContact CB-CD2 4.29Å; I450-L509 HydrophobicContact CD1-CD2 4.45Å; L479-L509 HydrophobicContact CD1-CD1 3.88Å; L479-L509 HydrophobicContact CD2-CB 4.36Å; L479-L509 HydrophobicContact CD2-CD1 4.24Å; H505-L509 PolarHBondContact O-N 3.48Å; H505-L509 VanDerWaalsContact O-N 3.13Å; I506-L509 PolarHBondContact O-N 3.42Å; L509-T511 VanDerWaalsContact C-N 3.33Å; L509-T511 PolarHBondContact O-N 2.82Å; L509-F512 WeakPolarHBondContact O-CB 3.47Å; L509-F512 PolarHBondContact O-N 3.13Å; L509-C513 PolarHBondContact O-N 3.5Å; L509-C513 PolarHBondContact O-SG 3.16Å
510L97.8Very high95.2Very high0 Ų016 Ų160%08%0.081CC..Hα-helixtrans-66.5-35.7176.7-68.8172.9000112.3V480 L483 I506 I507 E508 F512 C513 I514 M521 L530 L552V480-L510 HydrophobicContact CG1-CD1 4.23Å; V480-L510 HydrophobicContact CG1-CD2 3.84Å; L483-L510 HydrophobicContact CD2-CD1 4.04Å; I506-L510 HydrophobicContact CG2-CD1 3.75Å; I506-L510 HydrophobicContact CG2-CG 4.19Å; I506-L510 WeakPolarHBondContact O-CB 3.45Å; I506-L510 VanDerWaalsContact O-CG 3.24Å; I506-L510 WeakPolarHBondContact O-CG 3.46Å; I506-L510 PolarHBondContact O-N 3.34Å; I507-L510 HydrophobicContact CD1-CD1 4.42Å; I507-L510 PolarHBondContact O-N 2.91Å; E508-L510 PolarHBondContact O-N 2.85Å; L510-F512 VanDerWaalsContact C-N 3.33Å; L510-C513 PolarHBondContact O-N 2.74Å; L510-I514 WeakPolarHBondContact O-CG1 3.28Å; L510-I514 PolarHBondContact O-N 2.84Å; L510-M521 HydrophobicContact CB-CE 4.23Å; L510-M521 HydrophobicContact CD2-CE 3.84Å; L510-L530 HydrophobicContact CD1-CD1 4.07Å; L510-L530 HydrophobicContact CD1-CD2 4.31Å; L510-L530 HydrophobicContact CD2-CD2 4.17Å; L510-L552 HydrophobicContact CB-CD1 3.91Å
511T97.3Very high95.1Very high7 Ų716 Ų164%0.0438%0.081CC..Hα-helixtrans-61.8-45.4174.3-58.60000110I507 E508 L509 C513 I514 E515 L552 R555I507-T511 WeakPolarHBondContact O-CB 3.44Å; I507-T511 PolarHBondContact O-N 3.25Å; I507-T511 PolarHBondContact O-OG1 2.71Å; E508-T511 WeakPolarHBondContact O-CB 3.44Å; E508-T511 PolarHBondContact O-N 2.7Å; L509-T511 VanDerWaalsContact C-N 3.33Å; L509-T511 PolarHBondContact O-N 2.82Å; T511-C513 PolarHBondContact O-N 3.04Å; T511-I514 PolarHBondContact O-N 2.81Å; T511-E515 PolarHBondContact O-N 3.18Å; T511-L552 WeakPolarHBondContact OG1-CB 3.35Å; T511-R555 HydrophobicContact CG2-CB 4.01Å; T511-R555 HydrophobicContact CG2-CG 3.95Å
512F96.8Very high95.1Very high14 Ų1416.7 Ų16.76%0.0618%0.083CC..Hα-helixtrans-57.8-47172.9176-97.6000112.4R447 I450 D451 E508 L509 L510 I514 E515 T516R447-F512 HydrophobicContact CG-CD1 4.15Å; R447-F512 HydrophobicContact CG-CD2 4.08Å; R447-F512 HydrophobicContact CG-CE1 4.15Å; R447-F512 HydrophobicContact CG-CE2 4.06Å; R447-F512 HydrophobicContact CG-CG 4.12Å; R447-F512 HydrophobicContact CG-CZ 4.1Å; R447-F512 VanDerWaalsContact NE-CD2 3.35Å; I450-F512 HydrophobicContact CD1-CD1 4.28Å; I450-F512 HydrophobicContact CD1-CE1 4.49Å; I450-F512 HydrophobicContact CG1-CD1 4.19Å; I450-F512 HydrophobicContact CG1-CE1 3.9Å; D451-F512 HydrophobicContact CB-CE1 4.3Å; D451-F512 HydrophobicContact CB-CZ 3.71Å; E508-F512 PolarHBondContact O-N 3.18Å; L509-F512 WeakPolarHBondContact O-CB 3.47Å; L509-F512 PolarHBondContact O-N 3.13Å; L510-F512 VanDerWaalsContact C-N 3.33Å; F512-I514 VanDerWaalsContact C-N 3.3Å; F512-I514 PolarHBondContact O-N 3.09Å; F512-E515 PolarHBondContact O-N 2.8Å; F512-E515 VanDerWaalsContact O-N 3.15Å; F512-T516 HydrophobicContact CD2-CG2 4.13Å; F512-T516 HydrophobicContact CE1-CG2 4.34Å; F512-T516 HydrophobicContact CE2-CG2 3.65Å; F512-T516 HydrophobicContact CZ-CG2 3.76Å; F512-T516 PolarHBondContact O-N 3.12Å; F512-T516 VanDerWaalsContact O-N 3.14Å; F512-T516 PolarHBondContact O-OG1 3.32Å
513C97Very high94.9Very high0 Ų017.6 Ų17.60%09%0.088CC..Hα-helixtrans-61.1-35.8177.6-66.60000112.9L509 L510 T511 E515 T516 H517 M521L509-C513 PolarHBondContact O-N 3.5Å; L509-C513 PolarHBondContact O-SG 3.16Å; L510-C513 PolarHBondContact O-N 2.74Å; T511-C513 PolarHBondContact O-N 3.04Å; C513-E515 VanDerWaalsContact C-N 3.29Å; C513-E515 PolarHBondContact O-N 3.19Å; C513-T516 PolarHBondContact O-N 2.78Å; C513-H517 WeakPolarHBondContact O-CB 3.43Å; C513-H517 PolarHBondContact O-N 3.36Å; C513-H517 PolarHBondContact SG-CE1 2.84Å; C513-M521 HydrophobicContact CB-CE 4.17Å; C513-M521 HydrophobicContact CB-CG 4.22Å; C513-M521 HydrophobicContact CB-SD 3.91Å
514I95.6Very high94.8Very high4 Ų418.3 Ų18.32%0.0219%0.091CC..Hα-helixtrans-63.4-38176.6-74.1160000111L510 T511 F512 M521 L531 L552 V556 M559L510-I514 WeakPolarHBondContact O-CG1 3.28Å; L510-I514 PolarHBondContact O-N 2.84Å; T511-I514 PolarHBondContact O-N 2.81Å; F512-I514 VanDerWaalsContact C-N 3.3Å; F512-I514 PolarHBondContact O-N 3.09Å; I514-M521 HydrophobicContact CB-CG 4.39Å; I514-M521 HydrophobicContact CD1-CE 4.03Å; I514-M521 HydrophobicContact CG1-CE 3.57Å; I514-M521 HydrophobicContact CG1-CG 3.7Å; I514-L531 HydrophobicContact CD1-CD2 4.45Å; I514-L552 HydrophobicContact CD1-CD1 4Å; I514-L552 HydrophobicContact CD1-CD2 3.59Å; I514-L552 HydrophobicContact CD1-CG 3.67Å; I514-V556 HydrophobicContact CD1-CG2 3.79Å; I514-V556 HydrophobicContact CG1-CG2 4.49Å; I514-V556 HydrophobicContact CG2-CG2 3.97Å; I514-M559 HydrophobicContact CG2-CG 4.24Å
515E93.9Very high94.7Very high65 Ų6517 Ų1730%0.3048%0.084SC..Hα-helixtrans-75.4-30.1-179.6-67.4175.8-145.300113.3T511 F512 C513 R555T511-E515 PolarHBondContact O-N 3.18Å; F512-E515 PolarHBondContact O-N 2.8Å; F512-E515 VanDerWaalsContact O-N 3.15Å; C513-E515 VanDerWaalsContact C-N 3.29Å; C513-E515 PolarHBondContact O-N 3.19Å; E515-R555 VanDerWaalsContact CD-NH2 3.28Å; E515-R555 HydrophobicContact CG-CG 3.64Å; E515-R555 WeakPolarHBondContact OE1-CD 3.42Å; E515-R555 WeakPolarHBondContact OE1-CG 3.4Å; E515-R555 IonicContact OE1-CZ 3.25Å; E515-R555 IonicContact OE1-NE 2.9Å; E515-R555 PolarHBondContact OE1-NE 2.78Å; E515-R555 IonicContact OE1-NH2 3.67Å; E515-R555 PolarHBondContact OE1-NH2 3.31Å; E515-R555 IonicContact OE2-CZ 3.51Å; E515-R555 IonicContact OE2-NE 3.54Å; E515-R555 IonicContact OE2-NH2 3.69Å; E515-R555 PolarHBondContact OE2-NH2 3.47Å
516T93.2Very high94.5Very high21 Ų2120.8 Ų20.813%0.12910%0.1CC..Hα-helixtrans-117.5-32.4-163.458.10000114.7F512 C513 T518F512-T516 HydrophobicContact CD2-CG2 4.13Å; F512-T516 HydrophobicContact CE1-CG2 4.34Å; F512-T516 HydrophobicContact CE2-CG2 3.65Å; F512-T516 HydrophobicContact CZ-CG2 3.76Å; F512-T516 PolarHBondContact O-N 3.12Å; F512-T516 VanDerWaalsContact O-N 3.14Å; F512-T516 PolarHBondContact O-OG1 3.32Å; C513-T516 PolarHBondContact O-N 2.78Å; T516-T518 PolarHBondContact O-N 2.69Å
517H93.7Very high94.3Very high1 Ų125.8 Ų25.81%0.00513%0.127CC..  trans-90.98.3-170.1-64.1-176.8000114.5I450 Y472 C513 Y519 H520 M521I450-H517 PolarHBondContact O-NE2 2.65Å; Y472-H517 HydrophobicContact CE2-CB 4.18Å; Y472-H517 AromaticContact CE2-ND1 3.34Å; Y472-H517 VanDerWaalsContact CE2-ND1 3.34Å; Y472-H517 WeakPolarHBondContact CE2-ND1 3.3Å; Y472-H517 AromaticContact CZ-ND1 3.56Å; Y472-H517 WeakPolarHBondContact OH-CB 3.31Å; Y472-H517 PolarHBondContact OH-ND1 2.89Å; C513-H517 WeakPolarHBondContact O-CB 3.43Å; C513-H517 PolarHBondContact O-N 3.36Å; C513-H517 PolarHBondContact SG-CE1 2.84Å; H517-Y519 PolarHBondContact O-N 2.91Å; H517-Y519 VanDerWaalsContact O-N 3.12Å; H517-H520 PolarHBondContact O-N 3.23Å; H517-M521 HydrophobicContact CB-CB 4.15Å
518T90.4Very high94Very high43 Ų4331.4 Ų31.426%0.26415%0.148SC..Hα-helixtrans44.4-114.817165.40000113.5T516 H520 M521 K522 L675T516-T518 PolarHBondContact O-N 2.69Å; T518-H520 PolarHBondContact O-N 3.15Å; T518-M521 PolarHBondContact O-N 2.88Å; T518-K522 WeakPolarHBondContact O-CE 3.5Å; T518-K522 WeakPolarHBondContact O-CG 3.24Å; T518-K522 PolarHBondContact O-N 3.11Å; T518-L675 HydrophobicContact CG2-CD2 4.42Å
519Y89.5Confident93.9Very high19 Ų1931.3 Ų31.38%0.07515%0.15CC..Hα-helixtrans-64.4-39.9-173.974.5-92.5000113.3H517 M521 K522 N523 W682H517-Y519 PolarHBondContact O-N 2.91Å; H517-Y519 VanDerWaalsContact O-N 3.12Å; Y519-M521 VanDerWaalsContact C-N 3.3Å; Y519-M521 PolarHBondContact O-N 3.39Å; Y519-K522 WeakPolarHBondContact O-CB 3.31Å; Y519-K522 PolarHBondContact O-N 3.05Å; Y519-N523 VanDerWaalsContact O-CG 3.31Å; Y519-N523 PolarHBondContact O-N 3.38Å; Y519-N523 PolarHBondContact O-ND2 3.08Å; Y519-W682 AromaticContact CD2-CD2 3.94Å; Y519-W682 HydrophobicContact CD2-CD2 3.94Å; Y519-W682 HydrophobicContact CD2-CE3 4.36Å; Y519-W682 HydrophobicContact CD2-CG 4.01Å; Y519-W682 HydrophobicContact CE2-CB 3.97Å; Y519-W682 AromaticContact CE2-CD1 3.46Å; Y519-W682 VanDerWaalsContact CE2-CD1 3.46Å; Y519-W682 AromaticContact CE2-CD2 3.7Å; Y519-W682 HydrophobicContact CE2-CD2 3.7Å; Y519-W682 AromaticContact CE2-CE2 3.9Å; Y519-W682 AromaticContact CE2-CG 3.38Å; Y519-W682 HydrophobicContact CE2-CG 3.38Å; Y519-W682 AromaticContact CE2-NE1 3.75Å
520H92.5Very high93.8Very high9 Ų930.9 Ų30.94%0.04215%0.148CC..Hα-helixtrans-58.4-44.7-178.6-64.3-77.2000111.4L468 Y472 H517 T518 Y524L468-H520 WeakPolarHBondContact CB-NE2 3.41Å; Y472-H520 HydrophobicContact CD1-CB 4.3Å; Y472-H520 HydrophobicContact CD2-CB 3.63Å; Y472-H520 HydrophobicContact CE1-CB 4.09Å; Y472-H520 HydrophobicContact CE2-CB 3.4Å; Y472-H520 HydrophobicContact CG-CB 4.1Å; H517-H520 PolarHBondContact O-N 3.23Å; T518-H520 PolarHBondContact O-N 3.15Å; H520-Y524 WeakPolarHBondContact O-CB 3.34Å; H520-Y524 PolarHBondContact O-N 2.93Å
521M94.5Very high93.7Very high0 Ų031 Ų310%015%0.148CC..Hα-helixtrans-72.2-36179.9-16655.4175.700112.4Y472 L510 C513 I514 H517 T518 Y519 Y524 C525 L530Y472-M521 HydrophobicContact CE1-SD 4.16Å; Y472-M521 WeakPolarHBondContact OH-CB 3.47Å; Y472-M521 PolarHBondContact OH-SD 3.38Å; L510-M521 HydrophobicContact CB-CE 4.23Å; L510-M521 HydrophobicContact CD2-CE 3.84Å; C513-M521 HydrophobicContact CB-CE 4.17Å; C513-M521 HydrophobicContact CB-CG 4.22Å; C513-M521 HydrophobicContact CB-SD 3.91Å; I514-M521 HydrophobicContact CB-CG 4.39Å; I514-M521 HydrophobicContact CD1-CE 4.03Å; I514-M521 HydrophobicContact CG1-CE 3.57Å; I514-M521 HydrophobicContact CG1-CG 3.7Å; H517-M521 HydrophobicContact CB-CB 4.15Å; T518-M521 PolarHBondContact O-N 2.88Å; Y519-M521 VanDerWaalsContact C-N 3.3Å; Y519-M521 PolarHBondContact O-N 3.39Å; M521-Y524 PolarHBondContact O-N 3.23Å; M521-C525 VanDerWaalsContact O-CB 3.31Å; M521-C525 WeakPolarHBondContact O-CB 3.47Å; M521-C525 PolarHBondContact O-N 3.47Å; M521-C525 PolarHBondContact O-SG 2.83Å; M521-L530 HydrophobicContact CE-CD2 3.38Å
522K93.3Very high93.6Very high36 Ų3634 Ų3416%0.15716%0.161CC..Hα-helixtrans-58.9-49.6173.4-71.1175.3-143.2-165.90111.4T518 Y519 C525 F526 E561 F563 Y564T518-K522 WeakPolarHBondContact O-CE 3.5Å; T518-K522 WeakPolarHBondContact O-CG 3.24Å; T518-K522 PolarHBondContact O-N 3.11Å; Y519-K522 WeakPolarHBondContact O-CB 3.31Å; Y519-K522 PolarHBondContact O-N 3.05Å; K522-C525 PolarHBondContact O-N 2.95Å; K522-F526 PolarHBondContact O-N 3.32Å; K522-F526 VanDerWaalsContact O-N 3.1Å; K522-E561 WeakPolarHBondContact CD-OE2 3.38Å; K522-E561 WeakPolarHBondContact CE-OE1 3.29Å; K522-E561 WeakPolarHBondContact CE-OE2 3.42Å; K522-E561 IonicContact NZ-OE1 3.48Å; K522-E561 PolarHBondContact NZ-OE1 2.92Å; K522-E561 IonicContact NZ-OE2 2.8Å; K522-E561 PolarHBondContact NZ-OE2 3.39Å; K522-F563 HydrophobicContact CB-CD1 3.91Å; K522-F563 HydrophobicContact CB-CE1 3.62Å; K522-F563 HydrophobicContact CB-CZ 4.11Å; K522-F563 HydrophobicContact CD-CD1 4.22Å; K522-F563 HydrophobicContact CD-CG 4.42Å; K522-F563 HydrophobicContact CG-CD1 3.96Å; K522-F563 HydrophobicContact CG-CE1 4.17Å; K522-F563 WeakPolarHBondContact O-CE1 3.09Å; K522-Y564 HydrophobicContact CG-CE1 4.22Å; K522-Y564 HydrophobicContact CG-CE2 3.93Å; K522-Y564 WeakPolarHBondContact CG-OH 3.42Å
523N92.3Very high93.6Very high28 Ų2835.9 Ų35.915%0.1517%0.167CC..Hα-helixtrans-64.7-42.8-179.6-66.5-23.3000111.1Y519 F526 N527 W682Y519-N523 VanDerWaalsContact O-CG 3.31Å; Y519-N523 PolarHBondContact O-N 3.38Å; Y519-N523 PolarHBondContact O-ND2 3.08Å; N523-F526 PolarHBondContact O-N 3.01Å; N523-N527 WeakPolarHBondContact O-CB 3.38Å; N523-N527 PolarHBondContact O-N 2.65Å; N523-N527 PolarHBondContact O-ND2 3.14Å; N523-W682 HydrophobicContact CB-CH2 3.91Å; N523-W682 HydrophobicContact CB-CZ3 4.44Å; N523-W682 WeakPolarHBondContact ND2-CH2 3.14Å; N523-W682 WeakPolarHBondContact ND2-CZ3 3.33Å
524Y94.7Very high93.6Very high17 Ų1736 Ų367%0.06717%0.168CC..Hα-helixtrans-61.7-46.5175.8-167-96.9000112.7Y472 I476 N477 V480 H520 M521 F526 N527 R528 L530Y472-Y524 HydrophobicContact CD1-CD2 4.01Å; Y472-Y524 HydrophobicContact CD1-CG 4.12Å; Y472-Y524 HydrophobicContact CE1-CD2 4.45Å; Y472-Y524 HydrophobicContact CE1-CG 4.1Å; I476-Y524 HydrophobicContact CD1-CD1 3.93Å; I476-Y524 HydrophobicContact CD1-CD2 4.17Å; I476-Y524 HydrophobicContact CD1-CE1 3.92Å; I476-Y524 HydrophobicContact CD1-CE2 4.17Å; I476-Y524 HydrophobicContact CD1-CG 4.05Å; I476-Y524 HydrophobicContact CG1-CE1 4.23Å; I476-Y524 HydrophobicContact CG1-CE2 4.31Å; I476-Y524 HydrophobicContact CG2-CD2 4.08Å; I476-Y524 HydrophobicContact CG2-CE2 3.48Å; I476-Y524 VanDerWaalsContact CG2-CE2 3.48Å; N477-Y524 PolarHBondContact OD1-OH 3.12Å; N477-Y524 VanDerWaalsContact OD1-OH 3.14Å; V480-Y524 HydrophobicContact CG1-CE1 4.44Å; V480-Y524 WeakPolarHBondContact CG2-OH 3.32Å; H520-Y524 WeakPolarHBondContact O-CB 3.34Å; H520-Y524 PolarHBondContact O-N 2.93Å; M521-Y524 PolarHBondContact O-N 3.23Å; Y524-F526 VanDerWaalsContact C-N 3.27Å; Y524-F526 PolarHBondContact O-N 3.19Å; Y524-N527 PolarHBondContact O-N 3.18Å; Y524-R528 HydrophobicContact CD2-CG 4.16Å; Y524-R528 HydrophobicContact CE1-CB 4.36Å; Y524-R528 HydrophobicContact CE1-CG 4.31Å; Y524-R528 HydrophobicContact CE2-CG 3.78Å; Y524-R528 WeakPolarHBondContact O-CB 3.44Å; Y524-R528 PolarHBondContact O-N 2.88Å; Y524-L530 HydrophobicContact CD1-CD2 4.22Å; Y524-L530 HydrophobicContact CE1-CD1 4.47Å; Y524-L530 HydrophobicContact CE1-CD2 4.44Å
525C93.1Very high93.7Very high1 Ų136.1 Ų36.11%0.00717%0.168CC..Hα-helixtrans-56.1-42.2176.7-80.10000112.3M521 K522 D529 L530 Y564M521-C525 VanDerWaalsContact O-CB 3.31Å; M521-C525 WeakPolarHBondContact O-CB 3.47Å; M521-C525 PolarHBondContact O-N 3.47Å; M521-C525 PolarHBondContact O-SG 2.83Å; K522-C525 PolarHBondContact O-N 2.95Å; C525-D529 PolarHBondContact O-N 2.99Å; C525-L530 PolarHBondContact O-N 2.72Å; C525-Y564 HydrophobicContact CB-CE1 4.34Å
526F90.8Very high93.8Very high93 Ų9333.6 Ų33.641%0.40816%0.157SC..Hα-helixtrans-73.3-47.8-179.3-176-96000112.3K522 N523 Y524 R528 F563 Y567K522-F526 PolarHBondContact O-N 3.32Å; K522-F526 VanDerWaalsContact O-N 3.1Å; N523-F526 PolarHBondContact O-N 3.01Å; Y524-F526 VanDerWaalsContact C-N 3.27Å; Y524-F526 PolarHBondContact O-N 3.19Å; F526-R528 VanDerWaalsContact C-N 3.34Å; F526-R528 PolarHBondContact O-N 3.13Å; F526-F563 HydrophobicContact CB-CE1 4.46Å; F526-F563 HydrophobicContact CB-CZ 3.91Å; F526-F563 HydrophobicContact CD2-CZ 4.41Å; F526-F563 HydrophobicContact CG-CZ 4.34Å; F526-Y567 AromaticContact CD2-CD2 3.86Å; F526-Y567 HydrophobicContact CD2-CD2 3.86Å; F526-Y567 HydrophobicContact CD2-CE2 4.37Å
527N92.3Very high94.1Very high105 Ų10532.6 Ų32.656%0.56115%0.151SC*.Hα-helixtrans-73.6-22.9-174-70.9-16.4000113.7N523 Y524N523-N527 WeakPolarHBondContact O-CB 3.38Å; N523-N527 PolarHBondContact O-N 2.65Å; N523-N527 PolarHBondContact O-ND2 3.14Å; Y524-N527 PolarHBondContact O-N 3.18Å
528R92.6Very high94.2Very high118 Ų11833 Ų3345%0.44515%0.153SC..THydrogen-bonded Turntrans-1145.6-176.6-62.6-61.3-154.6-104.4-0.5114.3F484 Y524 F526 L530F484-R528 HydrophobicContact CE1-CB 4.28Å; F484-R528 WeakPolarHBondContact CE1-O 3.44Å; F484-R528 HydrophobicContact CZ-CB 3.87Å; F484-R528 WeakPolarHBondContact CZ-O 2.86Å; Y524-R528 HydrophobicContact CD2-CG 4.16Å; Y524-R528 HydrophobicContact CE1-CB 4.36Å; Y524-R528 HydrophobicContact CE1-CG 4.31Å; Y524-R528 HydrophobicContact CE2-CG 3.78Å; Y524-R528 WeakPolarHBondContact O-CB 3.44Å; Y524-R528 PolarHBondContact O-N 2.88Å; F526-R528 VanDerWaalsContact C-N 3.34Å; F526-R528 PolarHBondContact O-N 3.13Å; R528-L530 PolarHBondContact O-N 3.49Å
529D93Very high94.5Very high68 Ų6835.9 Ų35.936%0.36417%0.167SC..THydrogen-bonded Turntrans51.938-174.2-76.4-40.6000114.3C525 L531 K532 R533 Y567C525-D529 PolarHBondContact O-N 2.99Å; D529-L531 PolarHBondContact O-N 2.97Å; D529-K532 HydrophobicContact CB-CB 4.24Å; D529-K532 WeakPolarHBondContact O-CB 3.25Å; D529-K532 PolarHBondContact O-N 3.46Å; D529-K532 VanDerWaalsContact O-N 3.12Å; D529-R533 PolarHBondContact O-N 3.21Å; D529-Y567 VanDerWaalsContact CA-OH 3.23Å; D529-Y567 WeakPolarHBondContact CA-OH 3.49Å; D529-Y567 PolarHBondContact OD1-OH 3.13Å
530L95.5Very high94.8Very high0 Ų035.4 Ų35.40%017%0.166CC..Hα-helixtrans-57-51-168-179.665.7000112.5L483 F484 L510 M521 Y524 C525 R528 K532 R533 V534L483-L530 HydrophobicContact CD2-CD1 3.79Å; F484-L530 HydrophobicContact CE2-CD1 3.79Å; F484-L530 HydrophobicContact CZ-CD1 4.13Å; L510-L530 HydrophobicContact CD1-CD1 4.07Å; L510-L530 HydrophobicContact CD1-CD2 4.31Å; L510-L530 HydrophobicContact CD2-CD2 4.17Å; M521-L530 HydrophobicContact CE-CD2 3.38Å; Y524-L530 HydrophobicContact CD1-CD2 4.22Å; Y524-L530 HydrophobicContact CE1-CD1 4.47Å; Y524-L530 HydrophobicContact CE1-CD2 4.44Å; C525-L530 PolarHBondContact O-N 2.72Å; R528-L530 PolarHBondContact O-N 3.49Å; L530-K532 PolarHBondContact O-N 2.85Å; L530-R533 WeakPolarHBondContact O-CB 3.47Å; L530-R533 PolarHBondContact O-N 3.49Å; L530-V534 HydrophobicContact CD1-CG2 4.37Å; L530-V534 HydrophobicContact CG-CG2 4.32Å; L530-V534 WeakPolarHBondContact O-CG2 3.5Å; L530-V534 PolarHBondContact O-N 3.35Å
531L95.9Very high94.9Very high2 Ų238.8 Ų38.81%0.0119%0.191CC..Hα-helixtrans-65.9-30.5-176.3-50.3-179.3000111.6I514 D529 R533 V534 L535 L552 V556 Y567 L568 L573I514-L531 HydrophobicContact CD1-CD2 4.45Å; D529-L531 PolarHBondContact O-N 2.97Å; L531-R533 VanDerWaalsContact C-N 3.31Å; L531-R533 PolarHBondContact O-N 3.41Å; L531-V534 PolarHBondContact O-N 2.9Å; L531-L535 WeakPolarHBondContact O-CB 3.43Å; L531-L535 WeakPolarHBondContact O-CG 3.36Å; L531-L535 PolarHBondContact O-N 2.96Å; L531-L552 HydrophobicContact CD2-CD2 3.55Å; L531-V556 HydrophobicContact CD1-CG1 3.95Å; L531-V556 HydrophobicContact CD1-CG2 4.08Å; L531-V556 HydrophobicContact CD2-CG2 3.9Å; L531-Y567 HydrophobicContact CB-CE1 3.9Å; L531-Y567 HydrophobicContact CD1-CD1 3.81Å; L531-Y567 HydrophobicContact CD1-CE1 3.79Å; L531-Y567 HydrophobicContact CG-CD1 4.39Å; L531-Y567 HydrophobicContact CG-CE1 3.88Å; L531-L568 HydrophobicContact CD1-CD2 3.95Å; L531-L573 HydrophobicContact CB-CD1 3.88Å
532K95.4Very high95Very high71 Ų7140.4 Ų40.431%0.30920%0.198SC..Hα-helixtrans-60.7-44.5173.6-169.6-169.1175.2-149.40110.2D490 D529 L530 L535 V536 L573D490-K532 VanDerWaalsContact CG-NZ 3.31Å; D490-K532 WeakPolarHBondContact OD1-CE 3.48Å; D490-K532 IonicContact OD1-NZ 2.75Å; D490-K532 PolarHBondContact OD1-NZ 3.2Å; D490-K532 IonicContact OD2-NZ 3.16Å; D490-K532 PolarHBondContact OD2-NZ 3.46Å; D529-K532 HydrophobicContact CB-CB 4.24Å; D529-K532 WeakPolarHBondContact O-CB 3.25Å; D529-K532 PolarHBondContact O-N 3.46Å; D529-K532 VanDerWaalsContact O-N 3.12Å; L530-K532 PolarHBondContact O-N 2.85Å; K532-L535 PolarHBondContact O-N 2.89Å; K532-V536 PolarHBondContact O-N 3.48Å; K532-L573 HydrophobicContact CB-CD2 4.18Å; K532-L573 HydrophobicContact CG-CD2 4.27Å
533R96Very high95.1Very high53 Ų5344.5 Ų44.520%0.222%0.216CC..Hα-helixtrans-65.3-46.1176.5-60.1-57.4-175.1177.52.6112.1L483 F484 T487 S488 D490 D529 L530 L531 L535 V536L483-R533 HydrophobicContact CG-CB 4.49Å; F484-R533 HydrophobicContact CD1-CG 4.01Å; F484-R533 HydrophobicContact CE1-CG 3.74Å; F484-R533 HydrophobicContact CZ-CG 4.11Å; T487-R533 PolarHBondContact O-NH1 3.09Å; T487-R533 WeakPolarHBondContact OG1-CD 3.41Å; S488-R533 VanDerWaalsContact CA-NH1 3.33Å; S488-R533 PolarHBondContact O-NH1 3.45Å; D490-R533 IonicContact OD1-NH1 2.99Å; D529-R533 PolarHBondContact O-N 3.21Å; L530-R533 WeakPolarHBondContact O-CB 3.47Å; L530-R533 PolarHBondContact O-N 3.49Å; L531-R533 VanDerWaalsContact C-N 3.31Å; L531-R533 PolarHBondContact O-N 3.41Å; R533-L535 VanDerWaalsContact C-N 3.27Å; R533-L535 PolarHBondContact O-N 2.88Å; R533-V536 WeakPolarHBondContact O-CB 3.33Å; R533-V536 PolarHBondContact O-N 2.8Å; R533-V536 VanDerWaalsContact O-N 3.11Å
534V97.6Very high95.2Very high1 Ų146.3 Ų46.31%0.00622%0.223CC..Hα-helixtrans-57.1-41.8176.6173.60000111.4L483 I507 L530 L531 V536 L537 A549 L552L483-V534 HydrophobicContact CD2-CG2 3.89Å; I507-V534 HydrophobicContact CD1-CB 4.26Å; I507-V534 HydrophobicContact CD1-CG1 3.73Å; I507-V534 HydrophobicContact CD1-CG2 3.68Å; L530-V534 HydrophobicContact CD1-CG2 4.37Å; L530-V534 HydrophobicContact CG-CG2 4.32Å; L530-V534 WeakPolarHBondContact O-CG2 3.5Å; L530-V534 PolarHBondContact O-N 3.35Å; L531-V534 PolarHBondContact O-N 2.9Å; V534-V536 PolarHBondContact O-N 2.94Å; V534-L537 WeakPolarHBondContact O-CB 3.31Å; V534-L537 VanDerWaalsContact O-CG 3.29Å; V534-L537 WeakPolarHBondContact O-CG 3.42Å; V534-L537 PolarHBondContact O-N 2.9Å; V534-A549 HydrophobicContact CG1-CB 3.95Å; V534-L552 HydrophobicContact CG1-CD1 4.38Å; V534-L552 HydrophobicContact CG1-CD2 4.26Å; V534-L552 HydrophobicContact CG2-CD1 4.38Å
535L97.4Very high95.4Very high7 Ų745.6 Ų45.64%0.03722%0.22CC..Hα-helixtrans-73.3-10.2-178-67.1172.2000114.3L531 K532 R533 L538 L553 L573 P576 V577L531-L535 WeakPolarHBondContact O-CB 3.43Å; L531-L535 WeakPolarHBondContact O-CG 3.36Å; L531-L535 PolarHBondContact O-N 2.96Å; K532-L535 PolarHBondContact O-N 2.89Å; R533-L535 VanDerWaalsContact C-N 3.27Å; R533-L535 PolarHBondContact O-N 2.88Å; L535-L538 HydrophobicContact CB-CD1 4.46Å; L535-L538 HydrophobicContact CD2-CD1 3.77Å; L535-L538 HydrophobicContact CD2-CG 4.3Å; L535-L538 WeakPolarHBondContact O-CB 3.26Å; L535-L538 WeakPolarHBondContact O-CG 3.34Å; L535-L538 PolarHBondContact O-N 2.9Å; L535-L553 HydrophobicContact CD2-CB 4.35Å; L535-L553 HydrophobicContact CD2-CD2 4Å; L535-L573 HydrophobicContact CD1-CB 3.64Å; L535-L573 HydrophobicContact CD1-CD1 4.3Å; L535-L573 HydrophobicContact CD1-CD2 4.12Å; L535-L573 HydrophobicContact CD1-CG 4.2Å; L535-L573 WeakPolarHBondContact CD1-O 3.41Å; L535-P576 HydrophobicContact CB-CG 4.04Å; L535-P576 HydrophobicContact CD1-CG 4.22Å; L535-V577 HydrophobicContact CD2-CG2 4.36Å
536V97.1Very high95.6Very high12 Ų1245.6 Ų45.67%0.07322%0.22CC..Hα-helixtrans-66.4-30167178.30000110.7T487 K532 R533 V534 L538 L539T487-V536 HydrophobicContact CG2-CB 3.9Å; T487-V536 HydrophobicContact CG2-CG1 3.98Å; K532-V536 PolarHBondContact O-N 3.48Å; R533-V536 WeakPolarHBondContact O-CB 3.33Å; R533-V536 PolarHBondContact O-N 2.8Å; R533-V536 VanDerWaalsContact O-N 3.11Å; V534-V536 PolarHBondContact O-N 2.94Å; V536-L538 PolarHBondContact O-N 3.07Å; V536-L538 VanDerWaalsContact O-N 3.12Å; V536-L539 HydrophobicContact CG1-CD1 4.38Å; V536-L539 WeakPolarHBondContact O-CB 3.33Å; V536-L539 WeakPolarHBondContact O-CG 3.42Å; V536-L539 PolarHBondContact O-N 2.93Å
537L97.5Very high95.9Very high0 Ų042.8 Ų42.80%021%0.209CC..G310 helixtrans-65.3-15.5180-54.9-178.7000113.4L483 T487 L492 L503 I507 V534 L539 S540 L545 A549L483-L537 HydrophobicContact CD1-CD1 3.79Å; L483-L537 HydrophobicContact CD1-CD2 4.18Å; L483-L537 HydrophobicContact CD1-CG 4.12Å; T487-L537 HydrophobicContact CG2-CD2 3.9Å; L492-L537 HydrophobicContact CD1-CD2 3.9Å; L503-L537 HydrophobicContact CD1-CD2 3.96Å; I507-L537 HydrophobicContact CD1-CD1 3.97Å; I507-L537 HydrophobicContact CG1-CD1 4.01Å; V534-L537 WeakPolarHBondContact O-CB 3.31Å; V534-L537 VanDerWaalsContact O-CG 3.29Å; V534-L537 WeakPolarHBondContact O-CG 3.42Å; V534-L537 PolarHBondContact O-N 2.9Å; L537-L539 PolarHBondContact O-N 3.27Å; L537-S540 VanDerWaalsContact O-CB 3.27Å; L537-S540 WeakPolarHBondContact O-CB 3.34Å; L537-S540 PolarHBondContact O-N 3.46Å; L537-L545 HydrophobicContact CB-CG 4.42Å; L537-L545 HydrophobicContact CD1-CD1 4.12Å; L537-L545 HydrophobicContact CD1-CG 4.45Å; L537-L545 HydrophobicContact CD2-CD2 4.46Å; L537-A549 HydrophobicContact CB-CB 4.14Å
538L97Very high96.1Very high9 Ų937.8 Ų37.85%0.04718%0.182CC..G310 helixtrans-60.7-13.2170.2-63.1-175.4000113.2L535 V536 V546 A549 L550 P576 V577 L580L535-L538 HydrophobicContact CB-CD1 4.46Å; L535-L538 HydrophobicContact CD2-CD1 3.77Å; L535-L538 HydrophobicContact CD2-CG 4.3Å; L535-L538 WeakPolarHBondContact O-CB 3.26Å; L535-L538 WeakPolarHBondContact O-CG 3.34Å; L535-L538 PolarHBondContact O-N 2.9Å; V536-L538 PolarHBondContact O-N 3.07Å; V536-L538 VanDerWaalsContact O-N 3.12Å; L538-V546 HydrophobicContact CD2-CG1 4.04Å; L538-A549 HydrophobicContact CD2-CB 4Å; L538-L550 HydrophobicContact CD1-CD2 4.46Å; L538-L550 HydrophobicContact CD2-CD1 4.48Å; L538-L550 HydrophobicContact CD2-CD2 3.92Å; L538-L550 HydrophobicContact CD2-CG 3.7Å; L538-P576 HydrophobicContact CD1-CB 4.2Å; L538-V577 HydrophobicContact CD1-CG2 4.07Å; L538-L580 HydrophobicContact CB-CD2 4.12Å; L538-L580 HydrophobicContact CD1-CD2 4.42Å; L538-L580 HydrophobicContact CD2-CD2 3.89Å; L538-L580 HydrophobicContact CG-CD2 4.36Å
539L95.7Very high96.4Very high104 Ų10432.1 Ų32.155%0.54516%0.161SC..G310 helixtrans-86.9-7.8174.6-58.9177000113.8V536 L537V536-L539 HydrophobicContact CG1-CD1 4.38Å; V536-L539 WeakPolarHBondContact O-CB 3.33Å; V536-L539 WeakPolarHBondContact O-CG 3.42Å; V536-L539 PolarHBondContact O-N 2.93Å; L537-L539 PolarHBondContact O-N 3.27Å
540S96.5Very high96.6Very high9 Ų929 Ų296%0.06314%0.144CC..  trans-64.1147.1-178.2178.50000112.3D495 L537 H542 V546D495-S540 WeakPolarHBondContact OD1-CB 3.35Å; D495-S540 PolarHBondContact OD1-OG 2.99Å; L537-S540 VanDerWaalsContact O-CB 3.27Å; L537-S540 WeakPolarHBondContact O-CB 3.34Å; L537-S540 PolarHBondContact O-N 3.46Å; S540-H542 PolarHBondContact OG-N 3.37Å; S540-V546 WeakPolarHBondContact O-CG2 3.37Å
541S95.1Very high96.7Very high80 Ų8033.3 Ų33.356%0.55916%0.161SC*.SBendtrans-70.1-22.7169.660.70000112.6D495 K543D495-S541 VanDerWaalsContact OD2-CB 3.28Å; D495-S541 WeakPolarHBondContact OD2-CB 3.32Å; D495-S541 PolarHBondContact OD2-N 3.26Å; D495-S541 PolarHBondContact OD2-OG 3.42Å; S541-K543 PolarHBondContact O-N 2.89Å
542H96.3Very high96.8Very high34 Ų3433.3 Ų33.316%0.15716%0.161CC..  trans-84.1106.8-177-60.9-67.8000111.8D495 A500 S540 F544 L545 V546D495-H542 PolarHBondContact O-NE2 3.36Å; D495-H542 IonicContact OD1-CD2 3.67Å; D495-H542 PolarHBondContact OD1-CD2 3.1Å; D495-H542 IonicContact OD1-NE2 2.7Å; A500-H542 HydrophobicContact CB-CB 4.08Å; A500-H542 WeakPolarHBondContact CB-CD2 3.49Å; S540-H542 PolarHBondContact OG-N 3.37Å; H542-F544 VanDerWaalsContact C-N 3.31Å; H542-F544 HydrophobicContact CB-CD1 4.07Å; H542-F544 HydrophobicContact CB-CE1 3.59Å; H542-F544 HydrophobicContact CB-CZ 3.94Å; H542-F544 PolarHBondContact O-N 3.18Å; H542-L545 HydrophobicContact CB-CB 4.24Å; H542-L545 PolarHBondContact O-N 3.48Å; H542-L545 VanDerWaalsContact O-N 3.13Å; H542-V546 PolarHBondContact O-N 2.95Å
543K94.5Very high96.9Very high122 Ų12230 Ų3053%0.5315%0.147SC..Hα-helixtrans-60.1-36.1-174.7-65.3-60-176.1-1750114.1S541 L545 V546 L547S541-K543 PolarHBondContact O-N 2.89Å; K543-L545 VanDerWaalsContact C-N 3.33Å; K543-L545 PolarHBondContact O-N 3.47Å; K543-V546 PolarHBondContact O-N 2.97Å; K543-L547 WeakPolarHBondContact O-CB 3.47Å; K543-L547 VanDerWaalsContact O-CG 3.32Å; K543-L547 WeakPolarHBondContact O-CG 3.45Å; K543-L547 PolarHBondContact O-N 3.41Å
544F95.7Very high96.9Very high67 Ų6730.8 Ų30.829%0.29415%0.149SC..Hα-helixtrans-62.5-40.4177.567.2-92.9000111.8Y497 A500 L501 N504 H542 L547 A548Y497-F544 HydrophobicContact CD2-CE1 4.28Å; Y497-F544 HydrophobicContact CD2-CZ 4.46Å; Y497-F544 AromaticContact CE2-CE1 3.9Å; Y497-F544 HydrophobicContact CE2-CE1 3.9Å; Y497-F544 HydrophobicContact CE2-CZ 4.23Å; A500-F544 HydrophobicContact CB-CE2 4.27Å; A500-F544 HydrophobicContact CB-CZ 3.8Å; L501-F544 HydrophobicContact CD2-CE2 4.02Å; L501-F544 HydrophobicContact CD2-CZ 4Å; L501-F544 HydrophobicContact CG-CZ 4.35Å; N504-F544 HydrophobicContact CB-CD2 4.29Å; N504-F544 HydrophobicContact CB-CE2 4.12Å; H542-F544 VanDerWaalsContact C-N 3.31Å; H542-F544 HydrophobicContact CB-CD1 4.07Å; H542-F544 HydrophobicContact CB-CE1 3.59Å; H542-F544 HydrophobicContact CB-CZ 3.94Å; H542-F544 PolarHBondContact O-N 3.18Å; F544-L547 PolarHBondContact O-N 3.2Å; F544-A548 WeakPolarHBondContact O-CB 3.49Å; F544-A548 PolarHBondContact O-N 3.48Å
545L97.3Very high96.9Very high1 Ų135.2 Ų35.21%0.00517%0.166CC..Hα-helixtrans-68.3-40.5177.6-177.162.8000111.7A500 L503 N504 L537 H542 K543 L547 A548 A549A500-L545 HydrophobicContact CB-CD2 3.99Å; L503-L545 HydrophobicContact CB-CD1 3.84Å; L503-L545 HydrophobicContact CB-CD2 4.33Å; L503-L545 HydrophobicContact CD1-CD2 4.26Å; N504-L545 HydrophobicContact CB-CD1 4.27Å; L537-L545 HydrophobicContact CB-CG 4.42Å; L537-L545 HydrophobicContact CD1-CD1 4.12Å; L537-L545 HydrophobicContact CD1-CG 4.45Å; L537-L545 HydrophobicContact CD2-CD2 4.46Å; H542-L545 HydrophobicContact CB-CB 4.24Å; H542-L545 PolarHBondContact O-N 3.48Å; H542-L545 VanDerWaalsContact O-N 3.13Å; K543-L545 VanDerWaalsContact C-N 3.33Å; K543-L545 PolarHBondContact O-N 3.47Å; L545-L547 VanDerWaalsContact C-N 3.31Å; L545-L547 PolarHBondContact O-N 3.23Å; L545-A548 PolarHBondContact O-N 3.11Å; L545-A549 PolarHBondContact O-N 2.95Å
546V97.5Very high96.8Very high2 Ų234.9 Ų34.91%0.01216%0.164CC..Hα-helixtrans-59.1-45173.7175.70000110.7L538 S540 H542 K543 A549 L550 L580 L591L538-V546 HydrophobicContact CD2-CG1 4.04Å; S540-V546 WeakPolarHBondContact O-CG2 3.37Å; H542-V546 PolarHBondContact O-N 2.95Å; K543-V546 PolarHBondContact O-N 2.97Å; V546-A549 PolarHBondContact O-N 3.03Å; V546-L550 PolarHBondContact O-N 2.82Å; V546-L550 VanDerWaalsContact O-N 3.09Å; V546-L580 HydrophobicContact CG1-CD2 3.61Å; V546-L591 HydrophobicContact CG1-CD1 3.99Å
547L97.2Very high96.8Very high33 Ų3334.3 Ų34.317%0.17316%0.161CC..Hα-helixtrans-66.7-35.8176.9-71.7169.3000112.3K543 F544 L545 L550 R551 L590 L591 A594K543-L547 WeakPolarHBondContact O-CB 3.47Å; K543-L547 VanDerWaalsContact O-CG 3.32Å; K543-L547 WeakPolarHBondContact O-CG 3.45Å; K543-L547 PolarHBondContact O-N 3.41Å; F544-L547 PolarHBondContact O-N 3.2Å; L545-L547 VanDerWaalsContact C-N 3.31Å; L545-L547 PolarHBondContact O-N 3.23Å; L547-L550 PolarHBondContact O-N 3.37Å; L547-R551 WeakPolarHBondContact O-CB 3.39Å; L547-R551 PolarHBondContact O-N 3.49Å; L547-L590 HydrophobicContact CD1-CD2 3.62Å; L547-L590 HydrophobicContact CD1-CG 4.06Å; L547-L590 HydrophobicContact CD2-CG 4.15Å; L547-L591 HydrophobicContact CD2-CB 4.42Å; L547-L591 HydrophobicContact CD2-CD1 4.37Å; L547-A594 HydrophobicContact CD2-CB 4.32Å
548A97.8Very high96.7Very high0 Ų036.2 Ų36.20%017%0.169CC..Hα-helixtrans-64-45.3174.700000111.8N504 I507 F544 L545 L550 R551 L552N504-A548 VanDerWaalsContact OD1-CB 3.3Å; N504-A548 WeakPolarHBondContact OD1-CB 3.47Å; I507-A548 HydrophobicContact CG2-CB 3.94Å; I507-A548 WeakPolarHBondContact CG2-O 3.3Å; F544-A548 WeakPolarHBondContact O-CB 3.49Å; F544-A548 PolarHBondContact O-N 3.48Å; L545-A548 PolarHBondContact O-N 3.11Å; A548-L550 VanDerWaalsContact C-N 3.32Å; A548-L550 PolarHBondContact O-N 3.48Å; A548-R551 WeakPolarHBondContact O-CB 3.41Å; A548-R551 PolarHBondContact O-N 2.89Å; A548-R551 VanDerWaalsContact O-N 3.16Å; A548-L552 PolarHBondContact O-N 3.18Å
549A98.1Very high96.5Very high0 Ų038.7 Ų38.70%018%0.181CC..Hα-helixtrans-61.3-39.8175.300000112.2V534 L537 L538 L545 V546 L553V534-A549 HydrophobicContact CG1-CB 3.95Å; L537-A549 HydrophobicContact CB-CB 4.14Å; L538-A549 HydrophobicContact CD2-CB 4Å; L545-A549 PolarHBondContact O-N 2.95Å; V546-A549 PolarHBondContact O-N 3.03Å; A549-L553 PolarHBondContact O-N 3.45Å; A549-L553 VanDerWaalsContact O-N 3.13Å
550L97.5Very high96.2Very high2 Ų238.4 Ų38.41%0.0118%0.176CC..Hα-helixtrans-67.4-38.9173-75.6175000112.8L538 V546 L547 A548 L552 L553 R554 V577 L580 L591 I595L538-L550 HydrophobicContact CD1-CD2 4.46Å; L538-L550 HydrophobicContact CD2-CD1 4.48Å; L538-L550 HydrophobicContact CD2-CD2 3.92Å; L538-L550 HydrophobicContact CD2-CG 3.7Å; V546-L550 PolarHBondContact O-N 2.82Å; V546-L550 VanDerWaalsContact O-N 3.09Å; L547-L550 PolarHBondContact O-N 3.37Å; A548-L550 VanDerWaalsContact C-N 3.32Å; A548-L550 PolarHBondContact O-N 3.48Å; L550-L552 VanDerWaalsContact C-N 3.34Å; L550-L553 PolarHBondContact O-N 3.47Å; L550-R554 WeakPolarHBondContact O-CB 3.17Å; L550-R554 WeakPolarHBondContact O-CG 3.32Å; L550-R554 PolarHBondContact O-N 3.28Å; L550-V577 HydrophobicContact CD2-CG1 4.11Å; L550-V577 HydrophobicContact CD2-CG2 4.29Å; L550-L580 HydrophobicContact CD1-CD2 4.3Å; L550-L591 HydrophobicContact CD1-CD1 3.22Å; L550-I595 HydrophobicContact CD1-CD1 4.28Å; L550-I595 HydrophobicContact CD1-CG1 3.89Å; L550-I595 HydrophobicContact CD2-CG1 4.36Å
551R97.5Very high96Very high90 Ų9040.8 Ų40.834%0.3419%0.186SC..Hα-helixtrans-60.2-44.8176-172.6-173.4-60.1122.53.6110.7E508 L547 A548 R554 R555E508-R551 IonicContact OE1-CZ 2.83Å; E508-R551 IonicContact OE1-NH1 3.86Å; E508-R551 PolarHBondContact OE1-NH1 3.01Å; L547-R551 WeakPolarHBondContact O-CB 3.39Å; L547-R551 PolarHBondContact O-N 3.49Å; A548-R551 WeakPolarHBondContact O-CB 3.41Å; A548-R551 PolarHBondContact O-N 2.89Å; A548-R551 VanDerWaalsContact O-N 3.16Å; R551-R554 WeakPolarHBondContact O-CB 3.45Å; R551-R554 PolarHBondContact O-N 3.14Å; R551-R555 PolarHBondContact O-N 2.95Å
552L97.9Very high95.9Very high2 Ų240.7 Ų40.71%0.0118%0.177CC..Hα-helixtrans-60.2-48174.8-173.9154.3000111.3I507 L510 T511 I514 L531 V534 A548 L550 R554 R555 V556I507-L552 HydrophobicContact CD1-CD1 4.16Å; I507-L552 HydrophobicContact CG2-CB 4.06Å; I507-L552 HydrophobicContact CG2-CD1 3.98Å; L510-L552 HydrophobicContact CB-CD1 3.91Å; T511-L552 WeakPolarHBondContact OG1-CB 3.35Å; I514-L552 HydrophobicContact CD1-CD1 4Å; I514-L552 HydrophobicContact CD1-CD2 3.59Å; I514-L552 HydrophobicContact CD1-CG 3.67Å; L531-L552 HydrophobicContact CD2-CD2 3.55Å; V534-L552 HydrophobicContact CG1-CD1 4.38Å; V534-L552 HydrophobicContact CG1-CD2 4.26Å; V534-L552 HydrophobicContact CG2-CD1 4.38Å; A548-L552 PolarHBondContact O-N 3.18Å; L550-L552 VanDerWaalsContact C-N 3.34Å; L552-R554 VanDerWaalsContact C-N 3.34Å; L552-R554 PolarHBondContact O-N 3.15Å; L552-R555 WeakPolarHBondContact O-CB 3.25Å; L552-R555 PolarHBondContact O-N 3.21Å; L552-R555 VanDerWaalsContact O-N 3.08Å; L552-V556 HydrophobicContact CD2-CG2 4.09Å; L552-V556 WeakPolarHBondContact O-CG2 3.49Å; L552-V556 PolarHBondContact O-N 3.5Å
553L97.7Very high95.7Very high3 Ų341.9 Ų41.92%0.01618%0.182CC..Hα-helixtrans-60-44.2177.2177.465.2000111.9L535 A549 L550 R555 V556 V557 L568 V577 L598L535-L553 HydrophobicContact CD2-CB 4.35Å; L535-L553 HydrophobicContact CD2-CD2 4Å; A549-L553 PolarHBondContact O-N 3.45Å; A549-L553 VanDerWaalsContact O-N 3.13Å; L550-L553 PolarHBondContact O-N 3.47Å; L553-R555 VanDerWaalsContact C-N 3.25Å; L553-R555 PolarHBondContact O-N 2.94Å; L553-V556 WeakPolarHBondContact O-CB 3.44Å; L553-V556 PolarHBondContact O-N 3.18Å; L553-V557 PolarHBondContact O-N 3.11Å; L553-V557 VanDerWaalsContact O-N 3.11Å; L553-L568 HydrophobicContact CD1-CD1 4.38Å; L553-L568 HydrophobicContact CD1-CD2 3.59Å; L553-V577 HydrophobicContact CD2-CG2 3.46Å; L553-V577 VanDerWaalsContact CD2-CG2 3.46Å; L553-L598 HydrophobicContact CD2-CD2 3.98Å
554R96.7Very high95.7Very high68 Ų6836.2 Ų36.226%0.25716%0.157SC..Hα-helixtrans-54.7-47.9173.9-76.7173.166.8-141.4-3.3109.3L550 R551 L552 V556 V557 H558 E597 L598L550-R554 WeakPolarHBondContact O-CB 3.17Å; L550-R554 WeakPolarHBondContact O-CG 3.32Å; L550-R554 PolarHBondContact O-N 3.28Å; R551-R554 WeakPolarHBondContact O-CB 3.45Å; R551-R554 PolarHBondContact O-N 3.14Å; L552-R554 VanDerWaalsContact C-N 3.34Å; L552-R554 PolarHBondContact O-N 3.15Å; R554-V556 VanDerWaalsContact C-N 3.35Å; R554-V556 PolarHBondContact O-N 2.7Å; R554-V557 PolarHBondContact O-N 3.18Å; R554-H558 VanDerWaalsContact C-ND1 3.35Å; R554-H558 PolarHBondContact O-N 3.04Å; R554-H558 PolarHBondContact O-ND1 2.8Å; R554-E597 IonicContact CZ-OE1 3.33Å; R554-E597 IonicContact CZ-OE2 2.81Å; R554-E597 IonicContact NE-OE1 2.91Å; R554-E597 IonicContact NE-OE2 3.96Å; R554-E597 PolarHBondContact NE-OE2 2.98Å; R554-E597 IonicContact NH2-OE1 3.08Å; R554-E597 PolarHBondContact NH2-OE1 2.72Å; R554-E597 IonicContact NH2-OE2 2.62Å; R554-E597 PolarHBondContact NH2-OE2 3.38Å; R554-L598 HydrophobicContact CG-CB 3.99Å; R554-L598 HydrophobicContact CG-CD1 3.89Å; R554-L598 HydrophobicContact CG-CG 4.39Å
555R96.4Very high95.7Very high95 Ų9533.2 Ų33.236%0.35814%0.144SC..Hα-helixtrans-60.3-41.8-179.5-138.661.9165.8133.411.7113.7T511 E515 R551 L552 L553 V557 H558 M559T511-R555 HydrophobicContact CG2-CB 4.01Å; T511-R555 HydrophobicContact CG2-CG 3.95Å; E515-R555 VanDerWaalsContact CD-NH2 3.28Å; E515-R555 HydrophobicContact CG-CG 3.64Å; E515-R555 WeakPolarHBondContact OE1-CD 3.42Å; E515-R555 WeakPolarHBondContact OE1-CG 3.4Å; E515-R555 IonicContact OE1-CZ 3.25Å; E515-R555 IonicContact OE1-NE 2.9Å; E515-R555 PolarHBondContact OE1-NE 2.78Å; E515-R555 IonicContact OE1-NH2 3.67Å; E515-R555 PolarHBondContact OE1-NH2 3.31Å; E515-R555 IonicContact OE2-CZ 3.51Å; E515-R555 IonicContact OE2-NE 3.54Å; E515-R555 IonicContact OE2-NH2 3.69Å; E515-R555 PolarHBondContact OE2-NH2 3.47Å; R551-R555 PolarHBondContact O-N 2.95Å; L552-R555 WeakPolarHBondContact O-CB 3.25Å; L552-R555 PolarHBondContact O-N 3.21Å; L552-R555 VanDerWaalsContact O-N 3.08Å; L553-R555 VanDerWaalsContact C-N 3.25Å; L553-R555 PolarHBondContact O-N 2.94Å; R555-V557 VanDerWaalsContact C-N 3.31Å; R555-V557 PolarHBondContact O-N 3.35Å; R555-H558 PolarHBondContact O-N 3.44Å; R555-H558 VanDerWaalsContact O-N 3.15Å; R555-M559 WeakPolarHBondContact O-CG 3.37Å; R555-M559 PolarHBondContact O-N 3.19Å
556V96.5Very high95.5Very high0 Ų040 Ų400%017%0.17CC..Hα-helixtrans-55.2-46.3172173.10000111.5I514 L531 L552 L553 R554 M559 Y564 L568I514-V556 HydrophobicContact CD1-CG2 3.79Å; I514-V556 HydrophobicContact CG1-CG2 4.49Å; I514-V556 HydrophobicContact CG2-CG2 3.97Å; L531-V556 HydrophobicContact CD1-CG1 3.95Å; L531-V556 HydrophobicContact CD1-CG2 4.08Å; L531-V556 HydrophobicContact CD2-CG2 3.9Å; L552-V556 HydrophobicContact CD2-CG2 4.09Å; L552-V556 WeakPolarHBondContact O-CG2 3.49Å; L552-V556 PolarHBondContact O-N 3.5Å; L553-V556 WeakPolarHBondContact O-CB 3.44Å; L553-V556 PolarHBondContact O-N 3.18Å; R554-V556 VanDerWaalsContact C-N 3.35Å; R554-V556 PolarHBondContact O-N 2.7Å; V556-M559 PolarHBondContact O-N 2.85Å; V556-Y564 HydrophobicContact CG1-CD1 3.76Å; V556-Y564 HydrophobicContact CG1-CD2 4.26Å; V556-Y564 HydrophobicContact CG1-CE1 4.5Å; V556-Y564 HydrophobicContact CG1-CG 3.63Å; V556-L568 HydrophobicContact CG1-CD1 4.29Å
557V96.6Very high95.4Very high0 Ų040.2 Ų40.20%017%0.17CC..Hα-helixtrans-67.9-36.1178.4175.20000111.8L553 R554 R555 M559 K560 L568 L598 Y601 I602 I607 L610L553-V557 PolarHBondContact O-N 3.11Å; L553-V557 VanDerWaalsContact O-N 3.11Å; R554-V557 PolarHBondContact O-N 3.18Å; R555-V557 VanDerWaalsContact C-N 3.31Å; R555-V557 PolarHBondContact O-N 3.35Å; V557-M559 PolarHBondContact O-N 3.39Å; V557-K560 PolarHBondContact O-N 3.38Å; V557-K560 VanDerWaalsContact O-N 3.1Å; V557-L568 HydrophobicContact CG2-CD1 3.88Å; V557-L598 HydrophobicContact CB-CD1 4.16Å; V557-L598 HydrophobicContact CG1-CD1 4.34Å; V557-L598 HydrophobicContact CG2-CD1 4Å; V557-Y601 HydrophobicContact CG1-CD1 4.02Å; V557-Y601 HydrophobicContact CG1-CE1 4.28Å; V557-I602 HydrophobicContact CG1-CD1 4.21Å; V557-I602 HydrophobicContact CG1-CG1 3.66Å; V557-I607 HydrophobicContact CG1-CD1 3.9Å; V557-L610 HydrophobicContact CG1-CD1 4.06Å; V557-L610 HydrophobicContact CG2-CD1 4.29Å
558H94.7Very high95.3Very high39 Ų3938.7 Ų38.718%0.18116%0.162CC..Hα-helixtrans-66.2-19.6177.5-7673.6000113.8R554 R555 K560 Y601R554-H558 VanDerWaalsContact C-ND1 3.35Å; R554-H558 PolarHBondContact O-N 3.04Å; R554-H558 PolarHBondContact O-ND1 2.8Å; R555-H558 PolarHBondContact O-N 3.44Å; R555-H558 VanDerWaalsContact O-N 3.15Å; H558-K560 PolarHBondContact O-N 2.92Å; H558-Y601 HydrophobicContact CB-CE1 4.34Å; H558-Y601 AromaticContact CD2-CD2 3.88Å; H558-Y601 AromaticContact CD2-CE1 3.97Å; H558-Y601 AromaticContact CD2-CE2 3.35Å; H558-Y601 WeakPolarHBondContact CD2-CE2 3.24Å; H558-Y601 AromaticContact CD2-CZ 3.37Å; H558-Y601 AromaticContact CE1-CG 3.99Å; H558-Y601 AromaticContact CG-CE1 3.9Å; H558-Y601 AromaticContact CG-CZ 3.7Å; H558-Y601 AromaticContact NE2-CD2 3.51Å; H558-Y601 AromaticContact NE2-CE2 3.49Å; H558-Y601 WeakPolarHBondContact NE2-CE2 3.29Å; H558-Y601 AromaticContact NE2-CG 3.92Å; H558-Y601 AromaticContact NE2-CZ 3.88Å; H558-Y601 PolarHBondContact O-OH 3.06Å
559M92.9Very high95.2Very high61 Ų6140.9 Ų40.930%0.317%0.173SC..THydrogen-bonded Turntrans-66.1-18.7173-61.3-63.57900112.6I514 R555 V556 V557 E561 Y564I514-M559 HydrophobicContact CG2-CG 4.24Å; R555-M559 WeakPolarHBondContact O-CG 3.37Å; R555-M559 PolarHBondContact O-N 3.19Å; V556-M559 PolarHBondContact O-N 2.85Å; V557-M559 PolarHBondContact O-N 3.39Å; M559-E561 HydrophobicContact CB-CG 4.1Å; M559-E561 WeakPolarHBondContact O-CG 3.42Å; M559-E561 PolarHBondContact O-N 3.18Å; M559-E561 VanDerWaalsContact O-N 3.07Å; M559-Y564 HydrophobicContact CB-CD2 4.31Å; M559-Y564 HydrophobicContact CB-CE2 4.48Å; M559-Y564 HydrophobicContact CG-CE2 4.45Å
560K90.4Very high95Very high98 Ų9847.9 Ų47.943%0.42620%0.204SC..  trans54.324.2-179.9-56.8-179.3-169.5179.80113.9V557 H558 Y601 E605V557-K560 PolarHBondContact O-N 3.38Å; V557-K560 VanDerWaalsContact O-N 3.1Å; H558-K560 PolarHBondContact O-N 2.92Å; K560-Y601 WeakPolarHBondContact CE-OH 3.44Å; K560-E605 VanDerWaalsContact CE-CD 3.43Å; K560-E605 WeakPolarHBondContact CE-OE2 3.35Å; K560-E605 IonicContact NZ-OE1 3.62Å; K560-E605 PolarHBondContact NZ-OE1 3.49Å; K560-E605 IonicContact NZ-OE2 2.65Å; K560-E605 PolarHBondContact NZ-OE2 3.13Å
561E91.6Very high94.9Very high59 Ų5950.3 Ų50.328%0.27622%0.217SC..  trans-92.4128.3-179.1-61.2-170.3153.600111.4K522 M559 F563 Y564 N565K522-E561 WeakPolarHBondContact CD-OE2 3.38Å; K522-E561 WeakPolarHBondContact CE-OE1 3.29Å; K522-E561 WeakPolarHBondContact CE-OE2 3.42Å; K522-E561 IonicContact NZ-OE1 3.48Å; K522-E561 PolarHBondContact NZ-OE1 2.92Å; K522-E561 IonicContact NZ-OE2 2.8Å; K522-E561 PolarHBondContact NZ-OE2 3.39Å; M559-E561 HydrophobicContact CB-CG 4.1Å; M559-E561 WeakPolarHBondContact O-CG 3.42Å; M559-E561 PolarHBondContact O-N 3.18Å; M559-E561 VanDerWaalsContact O-N 3.07Å; E561-F563 PolarHBondContact O-N 3.5Å; E561-F563 VanDerWaalsContact O-N 3.14Å; E561-Y564 HydrophobicContact CB-CD2 4.12Å; E561-Y564 PolarHBondContact O-N 3.41Å; E561-Y564 VanDerWaalsContact O-N 3.13Å; E561-N565 PolarHBondContact O-N 3.47Å
562E92.4Very high94.7Very high79 Ų7949.6 Ų49.637%0.36922%0.22SC..Hα-helixtrans-64.9-22.3-178.5-17257.9-165.100112.8N565 R566 S609E562-N565 PolarHBondContact O-N 3.22Å; E562-N565 PolarHBondContact OE2-ND2 3.12Å; E562-R566 HydrophobicContact CG-CG 4.29Å; E562-R566 WeakPolarHBondContact O-CB 3.32Å; E562-R566 VanDerWaalsContact O-CG 3.3Å; E562-R566 WeakPolarHBondContact O-CG 3.45Å; E562-R566 PolarHBondContact O-N 3.42Å; E562-S609 WeakPolarHBondContact OE1-CB 3.46Å; E562-S609 PolarHBondContact OE1-OG 2.94Å; E562-S609 PolarHBondContact OE2-OG 2.93Å
563F92.9Very high94.6Very high59 Ų5949.9 Ų49.926%0.25922%0.221SC..Hα-helixtrans-57.3-53.7171.6-179.5-87.8000111.6K522 F526 E561 R566 Y567K522-F563 HydrophobicContact CB-CD1 3.91Å; K522-F563 HydrophobicContact CB-CE1 3.62Å; K522-F563 HydrophobicContact CB-CZ 4.11Å; K522-F563 HydrophobicContact CD-CD1 4.22Å; K522-F563 HydrophobicContact CD-CG 4.42Å; K522-F563 HydrophobicContact CG-CD1 3.96Å; K522-F563 HydrophobicContact CG-CE1 4.17Å; K522-F563 WeakPolarHBondContact O-CE1 3.09Å; F526-F563 HydrophobicContact CB-CE1 4.46Å; F526-F563 HydrophobicContact CB-CZ 3.91Å; F526-F563 HydrophobicContact CD2-CZ 4.41Å; F526-F563 HydrophobicContact CG-CZ 4.34Å; E561-F563 PolarHBondContact O-N 3.5Å; E561-F563 VanDerWaalsContact O-N 3.14Å; F563-R566 PolarHBondContact O-N 3.46Å; F563-Y567 PolarHBondContact O-N 2.93Å; F563-Y567 VanDerWaalsContact O-N 3.1Å
564Y94.6Very high94.6Very high3 Ų349.7 Ų49.71%0.01222%0.22CC..Hα-helixtrans-65-41.7178.2-74-56.7000111.5K522 C525 V556 M559 E561 R566 Y567 L568K522-Y564 HydrophobicContact CG-CE1 4.22Å; K522-Y564 HydrophobicContact CG-CE2 3.93Å; K522-Y564 WeakPolarHBondContact CG-OH 3.42Å; C525-Y564 HydrophobicContact CB-CE1 4.34Å; V556-Y564 HydrophobicContact CG1-CD1 3.76Å; V556-Y564 HydrophobicContact CG1-CD2 4.26Å; V556-Y564 HydrophobicContact CG1-CE1 4.5Å; V556-Y564 HydrophobicContact CG1-CG 3.63Å; M559-Y564 HydrophobicContact CB-CD2 4.31Å; M559-Y564 HydrophobicContact CB-CE2 4.48Å; M559-Y564 HydrophobicContact CG-CE2 4.45Å; E561-Y564 HydrophobicContact CB-CD2 4.12Å; E561-Y564 PolarHBondContact O-N 3.41Å; E561-Y564 VanDerWaalsContact O-N 3.13Å; Y564-R566 VanDerWaalsContact C-N 3.35Å; Y564-R566 PolarHBondContact O-N 3.31Å; Y564-Y567 PolarHBondContact O-N 3.22Å; Y564-Y567 VanDerWaalsContact O-N 3.12Å; Y564-L568 VanDerWaalsContact O-CG 3.32Å; Y564-L568 WeakPolarHBondContact O-CG 3.26Å; Y564-L568 PolarHBondContact O-N 3.27Å
565N95.2Very high94.6Very high4 Ų453.1 Ų53.12%0.02124%0.237CC..Hα-helixtrans-56.4-48.9177-62.3-18.5000111.4E561 E562 Y567 L568 I569 I607 L610E561-N565 PolarHBondContact O-N 3.47Å; E562-N565 PolarHBondContact O-N 3.22Å; E562-N565 PolarHBondContact OE2-ND2 3.12Å; N565-Y567 VanDerWaalsContact C-N 3.31Å; N565-Y567 PolarHBondContact O-N 3.28Å; N565-L568 PolarHBondContact O-N 3.21Å; N565-I569 WeakPolarHBondContact O-CB 3.38Å; N565-I569 WeakPolarHBondContact O-CD1 3.4Å; N565-I569 WeakPolarHBondContact O-CG1 3.25Å; N565-I569 PolarHBondContact O-N 2.91Å; N565-I607 WeakPolarHBondContact ND2-CG2 3.4Å; N565-L610 HydrophobicContact CB-CD2 3.88Å; N565-L610 HydrophobicContact CB-CG 4.14Å; N565-L610 WeakPolarHBondContact OD1-CD1 3.42Å
566R94.1Very high94.5Very high143 Ų14350.6 Ų50.654%0.5423%0.233SC..Hα-helixtrans-60.2-40.5176.8-73.8-172.3-60.2-110.45112.2E562 F563 Y564 I569 K570E562-R566 HydrophobicContact CG-CG 4.29Å; E562-R566 WeakPolarHBondContact O-CB 3.32Å; E562-R566 VanDerWaalsContact O-CG 3.3Å; E562-R566 WeakPolarHBondContact O-CG 3.45Å; E562-R566 PolarHBondContact O-N 3.42Å; F563-R566 PolarHBondContact O-N 3.46Å; Y564-R566 VanDerWaalsContact C-N 3.35Å; Y564-R566 PolarHBondContact O-N 3.31Å; R566-I569 PolarHBondContact O-N 2.96Å; R566-K570 WeakPolarHBondContact O-CB 3.44Å; R566-K570 PolarHBondContact O-N 3.27Å
567Y94.2Very high94.6Very high7 Ų750.6 Ų50.63%0.02723%0.233CC..Hα-helixtrans-65.4-43.7177.3178.9-104.7000112.3F526 D529 L531 F563 Y564 N565 I569 N571 L573F526-Y567 AromaticContact CD2-CD2 3.86Å; F526-Y567 HydrophobicContact CD2-CD2 3.86Å; F526-Y567 HydrophobicContact CD2-CE2 4.37Å; D529-Y567 VanDerWaalsContact CA-OH 3.23Å; D529-Y567 WeakPolarHBondContact CA-OH 3.49Å; D529-Y567 PolarHBondContact OD1-OH 3.13Å; L531-Y567 HydrophobicContact CB-CE1 3.9Å; L531-Y567 HydrophobicContact CD1-CD1 3.81Å; L531-Y567 HydrophobicContact CD1-CE1 3.79Å; L531-Y567 HydrophobicContact CG-CD1 4.39Å; L531-Y567 HydrophobicContact CG-CE1 3.88Å; F563-Y567 PolarHBondContact O-N 2.93Å; F563-Y567 VanDerWaalsContact O-N 3.1Å; Y564-Y567 PolarHBondContact O-N 3.22Å; Y564-Y567 VanDerWaalsContact O-N 3.12Å; N565-Y567 VanDerWaalsContact C-N 3.31Å; N565-Y567 PolarHBondContact O-N 3.28Å; Y567-I569 PolarHBondContact O-N 2.73Å; Y567-N571 WeakPolarHBondContact CD2-ND2 3.33Å; Y567-N571 WeakPolarHBondContact CE2-ND2 3.39Å; Y567-N571 PolarHBondContact O-N 3.29Å; Y567-N571 PolarHBondContact O-ND2 3.13Å; Y567-N571 VanDerWaalsContact O-ND2 3.08Å; Y567-L573 HydrophobicContact CD1-CD1 4.24Å; Y567-L573 HydrophobicContact CE1-CD1 3.8Å
568L96.3Very high94.5Very high0 Ų050.9 Ų50.90%023%0.234CC..Hα-helixtrans-60.4-44.4174.9-68.3174.1000111.8L531 L553 V556 V557 Y564 N565 N572 L573 F574L531-L568 HydrophobicContact CD1-CD2 3.95Å; L553-L568 HydrophobicContact CD1-CD1 4.38Å; L553-L568 HydrophobicContact CD1-CD2 3.59Å; V556-L568 HydrophobicContact CG1-CD1 4.29Å; V557-L568 HydrophobicContact CG2-CD1 3.88Å; Y564-L568 VanDerWaalsContact O-CG 3.32Å; Y564-L568 WeakPolarHBondContact O-CG 3.26Å; Y564-L568 PolarHBondContact O-N 3.27Å; N565-L568 PolarHBondContact O-N 3.21Å; L568-N572 PolarHBondContact O-N 3.23Å; L568-N572 VanDerWaalsContact O-N 3.17Å; L568-L573 HydrophobicContact CD2-CB 3.91Å; L568-L573 HydrophobicContact CD2-CD1 3.89Å; L568-L573 HydrophobicContact CD2-CG 4.48Å; L568-L573 PolarHBondContact O-N 3.16Å; L568-F574 HydrophobicContact CB-CE2 4.15Å; L568-F574 HydrophobicContact CD1-CE2 4.26Å; L568-F574 HydrophobicContact CD1-CZ 4.34Å
569I96.1Very high94.5Very high47 Ų4756 Ų5624%0.24126%0.256CS..Hα-helixtrans-66.3-52.4179.3-67.6166.1000110.8N565 R566 Y567 N571 N572 S609 L610 H613N565-I569 WeakPolarHBondContact O-CB 3.38Å; N565-I569 WeakPolarHBondContact O-CD1 3.4Å; N565-I569 WeakPolarHBondContact O-CG1 3.25Å; N565-I569 PolarHBondContact O-N 2.91Å; R566-I569 PolarHBondContact O-N 2.96Å; Y567-I569 PolarHBondContact O-N 2.73Å; I569-N571 PolarHBondContact O-N 3.43Å; I569-N572 PolarHBondContact O-N 2.84Å; I569-N572 VanDerWaalsContact O-N 3.08Å; I569-S609 WeakPolarHBondContact CD1-O 3.47Å; I569-L610 HydrophobicContact CD1-CD2 4.1Å; I569-L610 HydrophobicContact CG1-CD2 3.98Å; I569-H613 HydrophobicContact CD1-CB 4.22Å; I569-H613 HydrophobicContact CG1-CB 3.8Å; I569-H613 HydrophobicContact CG2-CB 4.34Å
570K94Very high94.6Very high146 Ų14654 Ų5464%0.63525%0.247SC*.Hα-helixtrans-56.3-37.4-176.8-177.8-177.4176.2-171.70111.9R566R566-K570 WeakPolarHBondContact O-CB 3.44Å; R566-K570 PolarHBondContact O-N 3.27Å
571N93.4Very high94.8Very high53 Ų5349.7 Ų49.728%0.28323%0.228SC..THydrogen-bonded Turntrans-97.85.5-177-66.2-58.6000114Y567 I569 L573Y567-N571 WeakPolarHBondContact CD2-ND2 3.33Å; Y567-N571 WeakPolarHBondContact CE2-ND2 3.39Å; Y567-N571 PolarHBondContact O-N 3.29Å; Y567-N571 PolarHBondContact O-ND2 3.13Å; Y567-N571 VanDerWaalsContact O-ND2 3.08Å; I569-N571 PolarHBondContact O-N 3.43Å; N571-L573 VanDerWaalsContact C-N 3.28Å; N571-L573 HydrophobicContact CB-CD1 4.13Å; N571-L573 HydrophobicContact CB-CD2 3.84Å; N571-L573 HydrophobicContact CB-CG 3.7Å; N571-L573 PolarHBondContact O-N 2.81Å
572N94.8Very high94.8Very high76 Ų7650.9 Ų50.941%0.40624%0.239SC..THydrogen-bonded Turntrans51.743-179.1-64.8-59000113.5L568 I569 F574 K575 H613L568-N572 PolarHBondContact O-N 3.23Å; L568-N572 VanDerWaalsContact O-N 3.17Å; I569-N572 PolarHBondContact O-N 2.84Å; I569-N572 VanDerWaalsContact O-N 3.08Å; N572-F574 PolarHBondContact O-N 3.41Å; N572-K575 VanDerWaalsContact O-CB 3.22Å; N572-K575 WeakPolarHBondContact O-CB 3.5Å; N572-K575 PolarHBondContact O-N 2.98Å; N572-K575 VanDerWaalsContact O-N 3.1Å; N572-H613 PolarHBondContact OD1-CE1 3.4Å
573L96.1Very high94.8Very high7 Ų751.4 Ų51.44%0.03725%0.252CS..THydrogen-bonded Turntrans-74.5-9.1-170.2-65.1-173.9000114.2L531 K532 L535 Y567 L568 N571 K575 P576L531-L573 HydrophobicContact CB-CD1 3.88Å; K532-L573 HydrophobicContact CB-CD2 4.18Å; K532-L573 HydrophobicContact CG-CD2 4.27Å; L535-L573 HydrophobicContact CD1-CB 3.64Å; L535-L573 HydrophobicContact CD1-CD1 4.3Å; L535-L573 HydrophobicContact CD1-CD2 4.12Å; L535-L573 HydrophobicContact CD1-CG 4.2Å; L535-L573 WeakPolarHBondContact CD1-O 3.41Å; Y567-L573 HydrophobicContact CD1-CD1 4.24Å; Y567-L573 HydrophobicContact CE1-CD1 3.8Å; L568-L573 HydrophobicContact CD2-CB 3.91Å; L568-L573 HydrophobicContact CD2-CD1 3.89Å; L568-L573 HydrophobicContact CD2-CG 4.48Å; L568-L573 PolarHBondContact O-N 3.16Å; N571-L573 VanDerWaalsContact C-N 3.28Å; N571-L573 HydrophobicContact CB-CD1 4.13Å; N571-L573 HydrophobicContact CB-CD2 3.84Å; N571-L573 HydrophobicContact CB-CG 3.7Å; N571-L573 PolarHBondContact O-N 2.81Å; L573-K575 VanDerWaalsContact C-N 3.33Å; L573-P576 VanDerWaalsContact O-CD 3.29Å; L573-P576 WeakPolarHBondContact O-CD 3.4Å; L573-P576 WeakPolarHBondContact O-CG 3.28Å
574F96.8Very high94.7Very high0 Ų049.1 Ų49.10%024%0.242CC..Hα-helixtrans-75.9-19.3168.5-73.5-80.8000113.5L568 N572 V577 L578 L598 F599 I602 L610 H613 I614 Y618L568-F574 HydrophobicContact CB-CE2 4.15Å; L568-F574 HydrophobicContact CD1-CE2 4.26Å; L568-F574 HydrophobicContact CD1-CZ 4.34Å; N572-F574 PolarHBondContact O-N 3.41Å; F574-V577 WeakPolarHBondContact O-CB 3.28Å; F574-V577 PolarHBondContact O-N 3.09Å; F574-L578 WeakPolarHBondContact O-CG 3.3Å; F574-L578 PolarHBondContact O-N 3.38Å; F574-L598 HydrophobicContact CE1-CD2 4.4Å; F574-F599 HydrophobicContact CD1-CE1 4.03Å; F574-F599 HydrophobicContact CD1-CZ 4.15Å; F574-F599 HydrophobicContact CE1-CE1 4.35Å; F574-I602 HydrophobicContact CE1-CD1 3.81Å; F574-I602 HydrophobicContact CZ-CD1 3.85Å; F574-L610 HydrophobicContact CE2-CD2 3.84Å; F574-L610 HydrophobicContact CZ-CD1 4.24Å; F574-L610 HydrophobicContact CZ-CD2 4.28Å; F574-H613 AromaticContact CD2-CD2 3.88Å; F574-I614 HydrophobicContact CD1-CD1 4.39Å; F574-I614 HydrophobicContact CD1-CG1 4.46Å; F574-I614 HydrophobicContact CD2-CG1 4.41Å; F574-I614 HydrophobicContact CE1-CD1 4.17Å; F574-I614 HydrophobicContact CG-CG1 4.33Å; F574-I614 HydrophobicContact CZ-CD1 4.25Å; F574-Y618 HydrophobicContact CB-CE2 4.06Å
575K96Very high94.3Very high140 Ų14050.7 Ų50.761%0.60926%0.259SS*.Hα-helixtrans-55.9-51.7178.8-173.1178.9179.3179.60113.6N572 L573 V577 L578 K579 Y618N572-K575 VanDerWaalsContact O-CB 3.22Å; N572-K575 WeakPolarHBondContact O-CB 3.5Å; N572-K575 PolarHBondContact O-N 2.98Å; N572-K575 VanDerWaalsContact O-N 3.1Å; L573-K575 VanDerWaalsContact C-N 3.33Å; K575-V577 VanDerWaalsContact C-N 3.31Å; K575-V577 PolarHBondContact O-N 2.88Å; K575-L578 PolarHBondContact O-N 3.13Å; K575-K579 WeakPolarHBondContact O-CB 3.48Å; K575-K579 PolarHBondContact O-N 3.44Å; K575-Y618 HydrophobicContact CB-CE1 4.35Å; K575-Y618 WeakPolarHBondContact CB-OH 3.07Å
576P95.8Very high93.6Very high42 Ų4259.6 Ų59.627%0.27329%0.293SS..Hα-helixtrans-63.8-34.9178.325.4-36.2000112.7L535 L538 L573 K579 L580L535-P576 HydrophobicContact CB-CG 4.04Å; L535-P576 HydrophobicContact CD1-CG 4.22Å; L538-P576 HydrophobicContact CD1-CB 4.2Å; L573-P576 VanDerWaalsContact O-CD 3.29Å; L573-P576 WeakPolarHBondContact O-CD 3.4Å; L573-P576 WeakPolarHBondContact O-CG 3.28Å; P576-K579 PolarHBondContact O-N 3.23Å; P576-L580 WeakPolarHBondContact O-CB 3.3Å; P576-L580 PolarHBondContact O-N 3.44Å
577V97Very high93.1Very high0 Ų061.2 Ų61.20%030%0.3CS..Hα-helixtrans-62.8-48176-177.40000111L535 L538 L550 L553 F574 K575 K579 L580 F581 I595 L598L535-V577 HydrophobicContact CD2-CG2 4.36Å; L538-V577 HydrophobicContact CD1-CG2 4.07Å; L550-V577 HydrophobicContact CD2-CG1 4.11Å; L550-V577 HydrophobicContact CD2-CG2 4.29Å; L553-V577 HydrophobicContact CD2-CG2 3.46Å; L553-V577 VanDerWaalsContact CD2-CG2 3.46Å; F574-V577 WeakPolarHBondContact O-CB 3.28Å; F574-V577 PolarHBondContact O-N 3.09Å; K575-V577 VanDerWaalsContact C-N 3.31Å; K575-V577 PolarHBondContact O-N 2.88Å; V577-K579 VanDerWaalsContact C-N 3.34Å; V577-K579 PolarHBondContact O-N 3.46Å; V577-L580 WeakPolarHBondContact O-CB 3.46Å; V577-L580 PolarHBondContact O-N 3.32Å; V577-F581 PolarHBondContact O-N 3.27Å; V577-I595 HydrophobicContact CG1-CD1 4.47Å; V577-I595 HydrophobicContact CG1-CG1 4.26Å; V577-I595 HydrophobicContact CG1-CG2 4.13Å; V577-L598 HydrophobicContact CG1-CD2 4.36Å
578L95.4Very high92.8Very high5 Ų570.3 Ų70.33%0.02634%0.335CS..Hα-helixtrans-67.5-34.7178.2-72.1168.9000112.5F574 K575 L580 F581 V582 F599 Y618 L622F574-L578 WeakPolarHBondContact O-CG 3.3Å; F574-L578 PolarHBondContact O-N 3.38Å; K575-L578 PolarHBondContact O-N 3.13Å; L578-L580 VanDerWaalsContact C-N 3.31Å; L578-F581 PolarHBondContact O-N 3.45Å; L578-V582 WeakPolarHBondContact O-CG2 3.13Å; L578-V582 PolarHBondContact O-N 2.92Å; L578-F599 HydrophobicContact CD2-CE2 4.04Å; L578-F599 HydrophobicContact CD2-CZ 3.71Å; L578-F599 HydrophobicContact CG-CZ 4.13Å; L578-Y618 VanDerWaalsContact CD1-CB 3.45Å; L578-Y618 HydrophobicContact CD1-CD1 3.44Å; L578-Y618 VanDerWaalsContact CD1-CD1 3.44Å; L578-Y618 HydrophobicContact CD1-CD2 3.43Å; L578-Y618 VanDerWaalsContact CD1-CD2 3.43Å; L578-Y618 HydrophobicContact CD1-CE1 4Å; L578-Y618 HydrophobicContact CD1-CE2 3.98Å; L578-Y618 HydrophobicContact CD1-CG 3.12Å; L578-L622 HydrophobicContact CD2-CD2 3.6Å; L578-L622 HydrophobicContact CD2-CG 4.4Å
579K94.6Very high92.6Very high148 Ų14873 Ų7364%0.64335%0.349SS*.Hα-helixtrans-61.8-42.2172.8-173.9-176.4176.6-170.50111.1K575 P576 V577 S583K575-K579 WeakPolarHBondContact O-CB 3.48Å; K575-K579 PolarHBondContact O-N 3.44Å; P576-K579 PolarHBondContact O-N 3.23Å; V577-K579 VanDerWaalsContact C-N 3.34Å; V577-K579 PolarHBondContact O-N 3.46Å; K579-S583 WeakPolarHBondContact O-CB 3.48Å; K579-S583 PolarHBondContact O-N 3.4Å; K579-S583 PolarHBondContact O-OG 3.27Å
580L94.8Very high92.5Very high19 Ų1976.5 Ų76.510%0.09937%0.368CS..Hα-helixtrans-66.1-40.2175.2179.463.5000111.9L538 V546 L550 P576 V577 L578 S583 N584 L591 I595L538-L580 HydrophobicContact CB-CD2 4.12Å; L538-L580 HydrophobicContact CD1-CD2 4.42Å; L538-L580 HydrophobicContact CD2-CD2 3.89Å; L538-L580 HydrophobicContact CG-CD2 4.36Å; V546-L580 HydrophobicContact CG1-CD2 3.61Å; L550-L580 HydrophobicContact CD1-CD2 4.3Å; P576-L580 WeakPolarHBondContact O-CB 3.3Å; P576-L580 PolarHBondContact O-N 3.44Å; V577-L580 WeakPolarHBondContact O-CB 3.46Å; V577-L580 PolarHBondContact O-N 3.32Å; L578-L580 VanDerWaalsContact C-N 3.31Å; L580-S583 WeakPolarHBondContact CA-OG 3.37Å; L580-S583 PolarHBondContact O-N 2.94Å; L580-S583 PolarHBondContact O-OG 3.38Å; L580-N584 PolarHBondContact O-N 3.24Å; L580-L591 HydrophobicContact CD1-CD2 4.06Å; L580-L591 HydrophobicContact CD2-CD1 3.8Å; L580-L591 HydrophobicContact CD2-CD2 4.26Å; L580-L591 HydrophobicContact CG-CD1 4.39Å; L580-L591 HydrophobicContact CG-CD2 4.07Å; L580-I595 HydrophobicContact CD2-CD1 4.43Å; L580-I595 HydrophobicContact CG-CD1 4.44Å
581F94.3Very high92.4Very high6 Ų670 Ų703%0.02634%0.34CS..Hα-helixtrans-62.2-47.4177.3-167.9-134000111.7V577 L578 S583 N584 G585 D592 I595 I596 I625 Y627 F631V577-F581 PolarHBondContact O-N 3.27Å; L578-F581 PolarHBondContact O-N 3.45Å; F581-S583 VanDerWaalsContact C-N 3.32Å; F581-S583 PolarHBondContact O-N 2.86Å; F581-N584 WeakPolarHBondContact O-CB 3.49Å; F581-N584 PolarHBondContact O-N 3.12Å; F581-G585 PolarHBondContact O-N 3.4Å; F581-D592 VanDerWaalsContact CE2-OD1 3.22Å; F581-D592 WeakPolarHBondContact CE2-OD1 3.43Å; F581-I595 HydrophobicContact CB-CD1 4.02Å; F581-I595 HydrophobicContact CB-CG2 4.13Å; F581-I595 HydrophobicContact CD1-CG2 4.42Å; F581-I595 HydrophobicContact CD2-CB 4.03Å; F581-I595 HydrophobicContact CD2-CD1 4.01Å; F581-I595 HydrophobicContact CD2-CG2 3.7Å; F581-I595 HydrophobicContact CE2-CB 4.41Å; F581-I595 HydrophobicContact CE2-CG2 4.18Å; F581-I595 HydrophobicContact CG-CD1 4.42Å; F581-I595 HydrophobicContact CG-CG2 3.85Å; F581-I596 HydrophobicContact CE2-CD1 4.47Å; F581-I596 HydrophobicContact CE2-CG1 4.12Å; F581-I596 HydrophobicContact CZ-CD1 4.46Å; F581-I596 HydrophobicContact CZ-CG1 3.99Å; F581-I625 HydrophobicContact CD1-CD1 3.7Å; F581-I625 HydrophobicContact CE1-CD1 3.28Å; F581-I625 HydrophobicContact CE1-CG2 4.25Å; F581-I625 HydrophobicContact CZ-CD1 4.31Å; F581-I625 HydrophobicContact CZ-CG2 4.39Å; F581-Y627 WeakPolarHBondContact CZ-OH 3.44Å; F581-F631 HydrophobicContact CD1-CZ 4.31Å; F581-F631 AromaticContact CE1-CE2 3.52Å; F581-F631 HydrophobicContact CE1-CE2 3.52Å; F581-F631 AromaticContact CE1-CZ 3.45Å; F581-F631 HydrophobicContact CE1-CZ 3.45Å; F581-F631 VanDerWaalsContact CE1-CZ 3.45Å; F581-F631 AromaticContact CZ-CE2 3.82Å; F581-F631 HydrophobicContact CZ-CE2 3.82Å; F581-F631 AromaticContact CZ-CZ 3.93Å; F581-F631 HydrophobicContact CZ-CZ 3.93Å
582V92.6Very high92.4Very high85 Ų8567.5 Ų67.552%0.51533%0.327SS..Hα-helixtrans-64.6-35.7176.5174.30000111.8L578 G585 I621L578-V582 WeakPolarHBondContact O-CG2 3.13Å; L578-V582 PolarHBondContact O-N 2.92Å; V582-G585 PolarHBondContact O-N 2.97Å; V582-I621 HydrophobicContact CG2-CG2 3.58Å
583S91.8Very high92.4Very high90 Ų9066 Ų6663%0.62932%0.322SS*.Hα-helixtrans-74.6-24.8177.470.30000113.6K579 L580 F581 G585K579-S583 WeakPolarHBondContact O-CB 3.48Å; K579-S583 PolarHBondContact O-N 3.4Å; K579-S583 PolarHBondContact O-OG 3.27Å; L580-S583 WeakPolarHBondContact CA-OG 3.37Å; L580-S583 PolarHBondContact O-N 2.94Å; L580-S583 PolarHBondContact O-OG 3.38Å; F581-S583 VanDerWaalsContact C-N 3.32Å; F581-S583 PolarHBondContact O-N 2.86Å; S583-G585 PolarHBondContact O-N 3.38Å
584N90.7Very high92.4Very high11 Ų1166.3 Ų66.36%0.05933%0.326CS..Hα-helixtrans-65.2-30.1170.8-169.956000111.6L580 F581 R587 N589 L591 D592L580-N584 PolarHBondContact O-N 3.24Å; F581-N584 WeakPolarHBondContact O-CB 3.49Å; F581-N584 PolarHBondContact O-N 3.12Å; N584-R587 PolarHBondContact ND2-O 3.5Å; N584-R587 WeakPolarHBondContact O-CB 3.4Å; N584-R587 WeakPolarHBondContact O-CD 3.38Å; N584-R587 WeakPolarHBondContact O-CG 3.5Å; N584-N589 PolarHBondContact OD1-ND2 2.91Å; N584-L591 HydrophobicContact CB-CD2 4.33Å; N584-D592 PolarHBondContact ND2-OD1 3.28Å; N584-D592 VanDerWaalsContact ND2-OD1 3.07Å
585G85.7Confident92.3Very high35 Ų3566.3 Ų66.336%0.36133%0.326SS..THydrogen-bonded Turntrans69.5-142179.700000111.6F581 V582 S583 R587F581-G585 PolarHBondContact O-N 3.4Å; V582-G585 PolarHBondContact O-N 2.97Å; S583-G585 PolarHBondContact O-N 3.38Å; G585-R587 PolarHBondContact O-N 3.12Å
586Y80.6Confident92.3Very high192 Ų19260.7 Ų60.775%0.75330%0.302SS*.THydrogen-bonded Turntrans-89.223.3178.7-59.5-80.1000113.2Y588 Y627Y586-Y588 PolarHBondContact O-N 2.98Å; Y586-Y627 HydrophobicContact CD1-CD1 4.17Å; Y586-Y627 HydrophobicContact CD1-CE1 4.38Å; Y586-Y627 HydrophobicContact CE1-CD1 4.42Å
587R85Confident92.2Very high177 Ų17761.8 Ų61.867%0.66830%0.304SS*.  trans-80.2106.3-178-66.7179.8-175.4-170.71.7109.5N584 G585 N589 D592N584-R587 PolarHBondContact ND2-O 3.5Å; N584-R587 WeakPolarHBondContact O-CB 3.4Å; N584-R587 WeakPolarHBondContact O-CD 3.38Å; N584-R587 WeakPolarHBondContact O-CG 3.5Å; G585-R587 PolarHBondContact O-N 3.12Å; R587-N589 PolarHBondContact O-N 3.28Å; R587-N589 VanDerWaalsContact O-N 3.11Å; R587-D592 WeakPolarHBondContact O-CB 3.19Å
588Y86.4Confident92.2Very high198 Ų19861.8 Ų61.878%0.77630%0.304SS*.  trans-70.1103.5171.2-170.2-104.7000109.7Y586Y586-Y588 PolarHBondContact O-N 2.98Å
589N92.2Very high92.3Very high55 Ų5561.6 Ų61.629%0.29430%0.303SS..SBendtrans-149.9178.6-179.860.334.6000109.9N584 R587 L591 D592 S593N584-N589 PolarHBondContact OD1-ND2 2.91Å; R587-N589 PolarHBondContact O-N 3.28Å; R587-N589 VanDerWaalsContact O-N 3.11Å; N589-L591 PolarHBondContact O-N 3.1Å; N589-L591 VanDerWaalsContact OD1-CB 3.3Å; N589-L591 WeakPolarHBondContact OD1-CB 3.2Å; N589-L591 PolarHBondContact OD1-N 2.93Å; N589-L591 VanDerWaalsContact OD1-N 3.09Å; N589-D592 WeakPolarHBondContact O-CB 3.49Å; N589-D592 PolarHBondContact O-N 3.42Å; N589-D592 VanDerWaalsContact O-N 3.17Å; N589-D592 PolarHBondContact OD1-N 3.05Å; N589-S593 PolarHBondContact O-N 3.34Å; N589-S593 PolarHBondContact O-OG 3.34Å
590L93.5Very high92.4Very high121 Ų12156.8 Ų56.863%0.63428%0.284SS*.Hα-helixtrans-59.4-32.7-179.6-175.858.4000113.2L547 A594L547-L590 HydrophobicContact CD1-CD2 3.62Å; L547-L590 HydrophobicContact CD1-CG 4.06Å; L547-L590 HydrophobicContact CD2-CG 4.15Å; L590-A594 VanDerWaalsContact O-CB 3.26Å; L590-A594 WeakPolarHBondContact O-CB 3.36Å; L590-A594 PolarHBondContact O-N 3.32Å
591L93.8Very high92.5Very high10 Ų1057.6 Ų57.65%0.05229%0.286CS..Hα-helixtrans-66.3-45.6177.1174.867.1000111.3V546 L547 L550 L580 N584 N589 A594 I595V546-L591 HydrophobicContact CG1-CD1 3.99Å; L547-L591 HydrophobicContact CD2-CB 4.42Å; L547-L591 HydrophobicContact CD2-CD1 4.37Å; L550-L591 HydrophobicContact CD1-CD1 3.22Å; L580-L591 HydrophobicContact CD1-CD2 4.06Å; L580-L591 HydrophobicContact CD2-CD1 3.8Å; L580-L591 HydrophobicContact CD2-CD2 4.26Å; L580-L591 HydrophobicContact CG-CD1 4.39Å; L580-L591 HydrophobicContact CG-CD2 4.07Å; N584-L591 HydrophobicContact CB-CD2 4.33Å; N589-L591 PolarHBondContact O-N 3.1Å; N589-L591 VanDerWaalsContact OD1-CB 3.3Å; N589-L591 WeakPolarHBondContact OD1-CB 3.2Å; N589-L591 PolarHBondContact OD1-N 2.93Å; N589-L591 VanDerWaalsContact OD1-N 3.09Å; L591-A594 PolarHBondContact O-N 3.31Å; L591-I595 HydrophobicContact CD1-CD1 3.99Å; L591-I595 HydrophobicContact CD1-CG1 4.43Å; L591-I595 HydrophobicContact CG-CD1 4.18Å; L591-I595 WeakPolarHBondContact O-CG1 3.5Å; L591-I595 PolarHBondContact O-N 3.43Å; L591-I595 VanDerWaalsContact O-N 3.1Å
592D93.3Very high92.6Very high1 Ų157.3 Ų57.31%0.00529%0.285CS..Hα-helixtrans-57.5-50.9176.1-151.466.8000110.6F581 N584 R587 N589 A594 I595 I596 Y627F581-D592 VanDerWaalsContact CE2-OD1 3.22Å; F581-D592 WeakPolarHBondContact CE2-OD1 3.43Å; N584-D592 PolarHBondContact ND2-OD1 3.28Å; N584-D592 VanDerWaalsContact ND2-OD1 3.07Å; R587-D592 WeakPolarHBondContact O-CB 3.19Å; N589-D592 WeakPolarHBondContact O-CB 3.49Å; N589-D592 PolarHBondContact O-N 3.42Å; N589-D592 VanDerWaalsContact O-N 3.17Å; N589-D592 PolarHBondContact OD1-N 3.05Å; D592-A594 PolarHBondContact O-N 3.05Å; D592-I595 PolarHBondContact O-N 3.1Å; D592-I596 WeakPolarHBondContact O-CD1 3.27Å; D592-I596 VanDerWaalsContact O-CG1 3.3Å; D592-I596 WeakPolarHBondContact O-CG1 3.47Å; D592-I596 PolarHBondContact O-N 2.94Å; D592-I596 VanDerWaalsContact OD2-CD1 3.26Å; D592-I596 WeakPolarHBondContact OD2-CD1 3.38Å; D592-Y627 VanDerWaalsContact CG-OH 3.27Å; D592-Y627 PolarHBondContact OD1-OH 3.17Å; D592-Y627 VanDerWaalsContact OD1-OH 3.08Å; D592-Y627 WeakPolarHBondContact OD2-CE2 3.41Å; D592-Y627 PolarHBondContact OD2-OH 3.42Å
593S94Very high92.7Very high44 Ų4456 Ų5631%0.30827%0.271SS..Hα-helixtrans-60.5-43.2179.5-59.20000112.3N589 I595 I596 E597N589-S593 PolarHBondContact O-N 3.34Å; N589-S593 PolarHBondContact O-OG 3.34Å; S593-I595 PolarHBondContact O-N 3.21Å; S593-I596 PolarHBondContact O-N 3.23Å; S593-E597 WeakPolarHBondContact O-CB 3.45Å; S593-E597 PolarHBondContact O-N 3.38Å
594A95.4Very high92.8Very high14 Ų1455.6 Ų55.612%0.11627%0.265CS..Hα-helixtrans-66.1-35.7179.600000113L547 L590 L591 D592 L598L547-A594 HydrophobicContact CD2-CB 4.32Å; L590-A594 VanDerWaalsContact O-CB 3.26Å; L590-A594 WeakPolarHBondContact O-CB 3.36Å; L590-A594 PolarHBondContact O-N 3.32Å; L591-A594 PolarHBondContact O-N 3.31Å; D592-A594 PolarHBondContact O-N 3.05Å; A594-L598 PolarHBondContact O-N 2.88Å
595I96.1Very high93Very high0 Ų059 Ų590%028%0.28CS..Hα-helixtrans-73.6-43176.5-66.8172.3000110.4L550 V577 L580 F581 L591 D592 S593 E597 L598 F599L550-I595 HydrophobicContact CD1-CD1 4.28Å; L550-I595 HydrophobicContact CD1-CG1 3.89Å; L550-I595 HydrophobicContact CD2-CG1 4.36Å; V577-I595 HydrophobicContact CG1-CD1 4.47Å; V577-I595 HydrophobicContact CG1-CG1 4.26Å; V577-I595 HydrophobicContact CG1-CG2 4.13Å; L580-I595 HydrophobicContact CD2-CD1 4.43Å; L580-I595 HydrophobicContact CG-CD1 4.44Å; F581-I595 HydrophobicContact CB-CD1 4.02Å; F581-I595 HydrophobicContact CB-CG2 4.13Å; F581-I595 HydrophobicContact CD1-CG2 4.42Å; F581-I595 HydrophobicContact CD2-CB 4.03Å; F581-I595 HydrophobicContact CD2-CD1 4.01Å; F581-I595 HydrophobicContact CD2-CG2 3.7Å; F581-I595 HydrophobicContact CE2-CB 4.41Å; F581-I595 HydrophobicContact CE2-CG2 4.18Å; F581-I595 HydrophobicContact CG-CD1 4.42Å; F581-I595 HydrophobicContact CG-CG2 3.85Å; L591-I595 HydrophobicContact CD1-CD1 3.99Å; L591-I595 HydrophobicContact CD1-CG1 4.43Å; L591-I595 HydrophobicContact CG-CD1 4.18Å; L591-I595 WeakPolarHBondContact O-CG1 3.5Å; L591-I595 PolarHBondContact O-N 3.43Å; L591-I595 VanDerWaalsContact O-N 3.1Å; D592-I595 PolarHBondContact O-N 3.1Å; S593-I595 PolarHBondContact O-N 3.21Å; I595-E597 VanDerWaalsContact C-N 3.35Å; I595-E597 PolarHBondContact O-N 3.28Å; I595-L598 WeakPolarHBondContact O-CB 3.34Å; I595-L598 PolarHBondContact O-N 3.48Å; I595-F599 HydrophobicContact CG2-CD2 3.93Å; I595-F599 HydrophobicContact CG2-CE2 3.67Å; I595-F599 WeakPolarHBondContact O-CD2 3.21Å; I595-F599 PolarHBondContact O-N 3Å
596I95Very high93.4Very high21 Ų2163.7 Ų63.711%0.10829%0.292CS..Hα-helixtrans-60.9-46.7177.6-69.5160.7000110.3F581 D592 S593 L598 F599 D600 Y627 V628 T630F581-I596 HydrophobicContact CE2-CD1 4.47Å; F581-I596 HydrophobicContact CE2-CG1 4.12Å; F581-I596 HydrophobicContact CZ-CD1 4.46Å; F581-I596 HydrophobicContact CZ-CG1 3.99Å; D592-I596 WeakPolarHBondContact O-CD1 3.27Å; D592-I596 VanDerWaalsContact O-CG1 3.3Å; D592-I596 WeakPolarHBondContact O-CG1 3.47Å; D592-I596 PolarHBondContact O-N 2.94Å; D592-I596 VanDerWaalsContact OD2-CD1 3.26Å; D592-I596 WeakPolarHBondContact OD2-CD1 3.38Å; S593-I596 PolarHBondContact O-N 3.23Å; I596-L598 VanDerWaalsContact C-N 3.31Å; I596-L598 PolarHBondContact O-N 3.29Å; I596-F599 PolarHBondContact O-N 3.19Å; I596-D600 WeakPolarHBondContact O-CB 3.43Å; I596-D600 PolarHBondContact O-N 3.07Å; I596-Y627 HydrophobicContact CD1-CE2 4.04Å; I596-V628 HydrophobicContact CD1-CG1 3.97Å; I596-V628 HydrophobicContact CD1-CG2 4.41Å; I596-T630 HydrophobicContact CG2-CG2 4.4Å
597E95Very high94Very high65 Ų6555.2 Ų55.230%0.30426%0.26SS..Hα-helixtrans-60.8-38.3178-173.5-83.7-173.300112.1R554 S593 I595 F599 D600 Y601R554-E597 IonicContact CZ-OE1 3.33Å; R554-E597 IonicContact CZ-OE2 2.81Å; R554-E597 IonicContact NE-OE1 2.91Å; R554-E597 IonicContact NE-OE2 3.96Å; R554-E597 PolarHBondContact NE-OE2 2.98Å; R554-E597 IonicContact NH2-OE1 3.08Å; R554-E597 PolarHBondContact NH2-OE1 2.72Å; R554-E597 IonicContact NH2-OE2 2.62Å; R554-E597 PolarHBondContact NH2-OE2 3.38Å; S593-E597 WeakPolarHBondContact O-CB 3.45Å; S593-E597 PolarHBondContact O-N 3.38Å; I595-E597 VanDerWaalsContact C-N 3.35Å; I595-E597 PolarHBondContact O-N 3.28Å; E597-F599 VanDerWaalsContact C-N 3.34Å; E597-F599 PolarHBondContact O-N 3.34Å; E597-D600 PolarHBondContact O-N 3.17Å; E597-Y601 WeakPolarHBondContact O-CB 3.29Å; E597-Y601 PolarHBondContact O-N 3.24Å
598L97Very high94.4Very high1 Ų150.9 Ų50.91%0.00525%0.254CS..Hα-helixtrans-56.7-47.1174.717064.5000111.6L553 R554 V557 F574 V577 A594 I595 I596 I602L553-L598 HydrophobicContact CD2-CD2 3.98Å; R554-L598 HydrophobicContact CG-CB 3.99Å; R554-L598 HydrophobicContact CG-CD1 3.89Å; R554-L598 HydrophobicContact CG-CG 4.39Å; V557-L598 HydrophobicContact CB-CD1 4.16Å; V557-L598 HydrophobicContact CG1-CD1 4.34Å; V557-L598 HydrophobicContact CG2-CD1 4Å; F574-L598 HydrophobicContact CE1-CD2 4.4Å; V577-L598 HydrophobicContact CG1-CD2 4.36Å; A594-L598 PolarHBondContact O-N 2.88Å; I595-L598 WeakPolarHBondContact O-CB 3.34Å; I595-L598 PolarHBondContact O-N 3.48Å; I596-L598 VanDerWaalsContact C-N 3.31Å; I596-L598 PolarHBondContact O-N 3.29Å; L598-I602 HydrophobicContact CD1-CD1 4.36Å; L598-I602 HydrophobicContact CG-CD1 4.48Å; L598-I602 WeakPolarHBondContact O-CG1 3.2Å; L598-I602 PolarHBondContact O-N 3.42Å
599F97Very high94.8Very high0 Ų042.5 Ų42.50%022%0.224CC..Hα-helixtrans-73-32.8178.5-71.7-71.6000112.4F574 L578 I595 I596 E597 I602 R603 I614 T630 F631 L634F574-F599 HydrophobicContact CD1-CE1 4.03Å; F574-F599 HydrophobicContact CD1-CZ 4.15Å; F574-F599 HydrophobicContact CE1-CE1 4.35Å; L578-F599 HydrophobicContact CD2-CE2 4.04Å; L578-F599 HydrophobicContact CD2-CZ 3.71Å; L578-F599 HydrophobicContact CG-CZ 4.13Å; I595-F599 HydrophobicContact CG2-CD2 3.93Å; I595-F599 HydrophobicContact CG2-CE2 3.67Å; I595-F599 WeakPolarHBondContact O-CD2 3.21Å; I595-F599 PolarHBondContact O-N 3Å; I596-F599 PolarHBondContact O-N 3.19Å; E597-F599 VanDerWaalsContact C-N 3.34Å; E597-F599 PolarHBondContact O-N 3.34Å; F599-I602 HydrophobicContact CD1-CD1 4.48Å; F599-I602 PolarHBondContact O-N 3.13Å; F599-R603 WeakPolarHBondContact O-CB 3.23Å; F599-R603 PolarHBondContact O-N 2.74Å; F599-I614 HydrophobicContact CD1-CD1 3.9Å; F599-I614 HydrophobicContact CD1-CG2 4.26Å; F599-I614 HydrophobicContact CE1-CD1 3.73Å; F599-I614 HydrophobicContact CE1-CG1 4.11Å; F599-I614 HydrophobicContact CE1-CG2 3.9Å; F599-T630 HydrophobicContact CB-CG2 4.19Å; F599-F631 HydrophobicContact CB-CE1 3.94Å; F599-F631 HydrophobicContact CD1-CE1 4.33Å; F599-F631 AromaticContact CD2-CE1 3.61Å; F599-F631 HydrophobicContact CD2-CE1 3.61Å; F599-F631 AromaticContact CD2-CZ 3.96Å; F599-F631 HydrophobicContact CD2-CZ 3.96Å; F599-F631 HydrophobicContact CE2-CE1 4.19Å; F599-F631 AromaticContact CG-CE1 3.71Å; F599-F631 HydrophobicContact CG-CE1 3.71Å; F599-F631 HydrophobicContact CG-CZ 4.42Å; F599-L634 HydrophobicContact CD1-CD2 4.49Å
600D95.9Very high95Very high48 Ų4839.9 Ų39.926%0.25721%0.21SC..Hα-helixtrans-68.8-35.7176.5-157.762.8000112.3I596 E597 R603 T604 T630I596-D600 WeakPolarHBondContact O-CB 3.43Å; I596-D600 PolarHBondContact O-N 3.07Å; E597-D600 PolarHBondContact O-N 3.17Å; D600-R603 VanDerWaalsContact CG-NH2 3.25Å; D600-R603 WeakPolarHBondContact O-CB 3.2Å; D600-R603 PolarHBondContact O-N 3.24Å; D600-R603 IonicContact OD1-CZ 2.65Å; D600-R603 VanDerWaalsContact OD1-CZ 3.24Å; D600-R603 IonicContact OD1-NE 2.8Å; D600-R603 PolarHBondContact OD1-NE 3.11Å; D600-R603 IonicContact OD1-NH2 3.91Å; D600-R603 PolarHBondContact OD1-NH2 2.97Å; D600-R603 IonicContact OD2-NH2 3.65Å; D600-R603 PolarHBondContact OD2-NH2 3.42Å; D600-R603 VanDerWaalsContact OD2-NH2 3.15Å; D600-T604 VanDerWaalsContact O-CB 3.3Å; D600-T604 WeakPolarHBondContact O-CB 3.02Å; D600-T604 PolarHBondContact O-N 3.35Å; D600-T604 PolarHBondContact O-OG1 3.31Å; D600-T630 HydrophobicContact CB-CG2 3.77Å
601Y96.6Very high95.2Very high36 Ų3634.2 Ų34.214%0.14118%0.18CC..Hα-helixtrans-63.3-49.1171.7-176.4-93.7000111.4V557 H558 K560 E597 R603 T604 E605 I607V557-Y601 HydrophobicContact CG1-CD1 4.02Å; V557-Y601 HydrophobicContact CG1-CE1 4.28Å; H558-Y601 HydrophobicContact CB-CE1 4.34Å; H558-Y601 AromaticContact CD2-CD2 3.88Å; H558-Y601 AromaticContact CD2-CE1 3.97Å; H558-Y601 AromaticContact CD2-CE2 3.35Å; H558-Y601 WeakPolarHBondContact CD2-CE2 3.24Å; H558-Y601 AromaticContact CD2-CZ 3.37Å; H558-Y601 AromaticContact CE1-CG 3.99Å; H558-Y601 AromaticContact CG-CE1 3.9Å; H558-Y601 AromaticContact CG-CZ 3.7Å; H558-Y601 AromaticContact NE2-CD2 3.51Å; H558-Y601 AromaticContact NE2-CE2 3.49Å; H558-Y601 WeakPolarHBondContact NE2-CE2 3.29Å; H558-Y601 AromaticContact NE2-CG 3.92Å; H558-Y601 AromaticContact NE2-CZ 3.88Å; H558-Y601 PolarHBondContact O-OH 3.06Å; K560-Y601 WeakPolarHBondContact CE-OH 3.44Å; E597-Y601 WeakPolarHBondContact O-CB 3.29Å; E597-Y601 PolarHBondContact O-N 3.24Å; Y601-R603 PolarHBondContact O-N 2.72Å; Y601-T604 PolarHBondContact O-N 3.06Å; Y601-E605 HydrophobicContact CD1-CG 4.29Å; Y601-E605 HydrophobicContact CD2-CG 4.08Å; Y601-E605 HydrophobicContact CE1-CB 4.42Å; Y601-E605 HydrophobicContact CE1-CG 3.91Å; Y601-E605 HydrophobicContact CE2-CG 3.69Å; Y601-E605 HydrophobicContact CG-CG 4.37Å; Y601-E605 WeakPolarHBondContact O-CB 3.23Å; Y601-E605 PolarHBondContact O-N 2.91Å; Y601-I607 HydrophobicContact CE1-CD1 4.28Å
602I97Very high95.3Very high0 Ų035.3 Ų35.30%019%0.187CC..Hα-helixtrans-55.2-39.7176-69.9168.9000111.1V557 F574 L598 F599 E606 I607 L610 I611 I614 L634V557-I602 HydrophobicContact CG1-CD1 4.21Å; V557-I602 HydrophobicContact CG1-CG1 3.66Å; F574-I602 HydrophobicContact CE1-CD1 3.81Å; F574-I602 HydrophobicContact CZ-CD1 3.85Å; L598-I602 HydrophobicContact CD1-CD1 4.36Å; L598-I602 HydrophobicContact CG-CD1 4.48Å; L598-I602 WeakPolarHBondContact O-CG1 3.2Å; L598-I602 PolarHBondContact O-N 3.42Å; F599-I602 HydrophobicContact CD1-CD1 4.48Å; F599-I602 PolarHBondContact O-N 3.13Å; I602-E606 PolarHBondContact O-N 3.44Å; I602-I607 HydrophobicContact CG2-CB 4.41Å; I602-I607 PolarHBondContact O-N 3.47Å; I602-I607 VanDerWaalsContact O-N 3.12Å; I602-L610 HydrophobicContact CD1-CD1 4.12Å; I602-L610 HydrophobicContact CG1-CD1 4.15Å; I602-L610 HydrophobicContact CG2-CB 3.96Å; I602-I611 HydrophobicContact CG2-CG1 3.73Å; I602-I614 HydrophobicContact CD1-CD1 3.78Å; I602-I614 HydrophobicContact CG2-CD1 4.18Å; I602-L634 HydrophobicContact CG2-CD1 4.4Å
603R95.4Very high95.4Very high58 Ų5835.8 Ų35.822%0.21919%0.189CC..Hα-helixtrans-67.6-51.7176.5-175-172.56266.63.6111.9F599 D600 Y601 E605 E606 L634F599-R603 WeakPolarHBondContact O-CB 3.23Å; F599-R603 PolarHBondContact O-N 2.74Å; D600-R603 VanDerWaalsContact CG-NH2 3.25Å; D600-R603 WeakPolarHBondContact O-CB 3.2Å; D600-R603 PolarHBondContact O-N 3.24Å; D600-R603 IonicContact OD1-CZ 2.65Å; D600-R603 VanDerWaalsContact OD1-CZ 3.24Å; D600-R603 IonicContact OD1-NE 2.8Å; D600-R603 PolarHBondContact OD1-NE 3.11Å; D600-R603 IonicContact OD1-NH2 3.91Å; D600-R603 PolarHBondContact OD1-NH2 2.97Å; D600-R603 IonicContact OD2-NH2 3.65Å; D600-R603 PolarHBondContact OD2-NH2 3.42Å; D600-R603 VanDerWaalsContact OD2-NH2 3.15Å; Y601-R603 PolarHBondContact O-N 2.72Å; R603-E605 VanDerWaalsContact C-N 3.34Å; R603-E606 PolarHBondContact O-N 3.2Å; R603-E606 VanDerWaalsContact O-N 3.16Å; R603-L634 HydrophobicContact CB-CD1 3.7Å; R603-L634 HydrophobicContact CG-CD1 4.21Å
604T94.1Very high95.5Very high81 Ų8133.7 Ų33.750%0.49718%0.175SC..Hα-helixtrans-68.1-35.2-172.5-610000111.9D600 Y601 E606D600-T604 VanDerWaalsContact O-CB 3.3Å; D600-T604 WeakPolarHBondContact O-CB 3.02Å; D600-T604 PolarHBondContact O-N 3.35Å; D600-T604 PolarHBondContact O-OG1 3.31Å; Y601-T604 PolarHBondContact O-N 3.06Å; T604-E606 VanDerWaalsContact C-N 3.27Å
605E94.6Very high95.6Very high81 Ų8133.3 Ų33.338%0.37917%0.171SC..THydrogen-bonded Turntrans-87.95.4175.8-64.1-68.1-173.600113.4K560 Y601 R603 I607K560-E605 VanDerWaalsContact CE-CD 3.43Å; K560-E605 WeakPolarHBondContact CE-OE2 3.35Å; K560-E605 IonicContact NZ-OE1 3.62Å; K560-E605 PolarHBondContact NZ-OE1 3.49Å; K560-E605 IonicContact NZ-OE2 2.65Å; K560-E605 PolarHBondContact NZ-OE2 3.13Å; Y601-E605 HydrophobicContact CD1-CG 4.29Å; Y601-E605 HydrophobicContact CD2-CG 4.08Å; Y601-E605 HydrophobicContact CE1-CB 4.42Å; Y601-E605 HydrophobicContact CE1-CG 3.91Å; Y601-E605 HydrophobicContact CE2-CG 3.69Å; Y601-E605 HydrophobicContact CG-CG 4.37Å; Y601-E605 WeakPolarHBondContact O-CB 3.23Å; Y601-E605 PolarHBondContact O-N 2.91Å; R603-E605 VanDerWaalsContact C-N 3.34Å; E605-I607 VanDerWaalsContact C-N 3.29Å; E605-I607 HydrophobicContact CB-CD1 4.38Å; E605-I607 HydrophobicContact CB-CG1 4.01Å; E605-I607 PolarHBondContact O-N 2.86Å
606E93.1Very high95.5Very high134 Ų13439.1 Ų39.163%0.62620%0.198SC*.THydrogen-bonded Turntrans49.643176.2-58.9-170.2157.100114.1I602 R603 T604 T608I602-E606 PolarHBondContact O-N 3.44Å; R603-E606 PolarHBondContact O-N 3.2Å; R603-E606 VanDerWaalsContact O-N 3.16Å; T604-E606 VanDerWaalsContact C-N 3.27Å; E606-T608 VanDerWaalsContact C-N 3.3Å; E606-T608 WeakPolarHBondContact O-CG2 3.35Å; E606-T608 PolarHBondContact O-N 3.01Å
607I94.5Very high95.5Very high14 Ų1442.2 Ų42.27%0.07222%0.215CC..  trans-73.283.9-177.3-49177.9000110.2V557 N565 Y601 I602 E605 S609 L610 I611V557-I607 HydrophobicContact CG1-CD1 3.9Å; N565-I607 WeakPolarHBondContact ND2-CG2 3.4Å; Y601-I607 HydrophobicContact CE1-CD1 4.28Å; I602-I607 HydrophobicContact CG2-CB 4.41Å; I602-I607 PolarHBondContact O-N 3.47Å; I602-I607 VanDerWaalsContact O-N 3.12Å; E605-I607 VanDerWaalsContact C-N 3.29Å; E605-I607 HydrophobicContact CB-CD1 4.38Å; E605-I607 HydrophobicContact CB-CG1 4.01Å; E605-I607 PolarHBondContact O-N 2.86Å; I607-S609 PolarHBondContact O-N 3.1Å; I607-L610 HydrophobicContact CB-CB 4.41Å; I607-L610 HydrophobicContact CB-CD1 4.42Å; I607-L610 HydrophobicContact CD1-CD1 4.4Å; I607-L610 HydrophobicContact CG2-CB 4.08Å; I607-L610 HydrophobicContact CG2-CD1 3.85Å; I607-L610 HydrophobicContact CG2-CG 3.76Å; I607-L610 PolarHBondContact O-N 3.09Å; I607-L610 VanDerWaalsContact O-N 3.13Å; I607-I611 WeakPolarHBondContact O-CG1 3.28Å; I607-I611 PolarHBondContact O-N 2.93Å
608T93.4Very high95.6Very high87 Ų8740.3 Ų40.353%0.53421%0.205SC..Hα-helixtrans-55.3-41.1-166.956.10000115.1E606 I611 T612E606-T608 VanDerWaalsContact C-N 3.3Å; E606-T608 WeakPolarHBondContact O-CG2 3.35Å; E606-T608 PolarHBondContact O-N 3.01Å; T608-I611 PolarHBondContact O-N 2.9Å; T608-T612 WeakPolarHBondContact O-CB 3.3Å; T608-T612 PolarHBondContact O-N 2.96Å; T608-T612 PolarHBondContact O-OG1 3.27Å
609S94.7Very high95.5Very high22 Ų2243.5 Ų43.515%0.15422%0.217CC..Hα-helixtrans-62.6-44.2179.453.20000111.5E562 I569 I607 H613E562-S609 WeakPolarHBondContact OE1-CB 3.46Å; E562-S609 PolarHBondContact OE1-OG 2.94Å; E562-S609 PolarHBondContact OE2-OG 2.93Å; I569-S609 WeakPolarHBondContact CD1-O 3.47Å; I607-S609 PolarHBondContact O-N 3.1Å; S609-H613 WeakPolarHBondContact O-CB 3.08Å; S609-H613 PolarHBondContact O-N 3.01Å; S609-H613 VanDerWaalsContact O-N 3.14Å
610L96.1Very high95.4Very high0 Ų049 Ų490%025%0.247CC..Hα-helixtrans-70.3-44.9176.3-63.1-172.3000112.1V557 N565 I569 F574 I602 I607 T612 H613 I614V557-L610 HydrophobicContact CG1-CD1 4.06Å; V557-L610 HydrophobicContact CG2-CD1 4.29Å; N565-L610 HydrophobicContact CB-CD2 3.88Å; N565-L610 HydrophobicContact CB-CG 4.14Å; N565-L610 WeakPolarHBondContact OD1-CD1 3.42Å; I569-L610 HydrophobicContact CD1-CD2 4.1Å; I569-L610 HydrophobicContact CG1-CD2 3.98Å; F574-L610 HydrophobicContact CE2-CD2 3.84Å; F574-L610 HydrophobicContact CZ-CD1 4.24Å; F574-L610 HydrophobicContact CZ-CD2 4.28Å; I602-L610 HydrophobicContact CD1-CD1 4.12Å; I602-L610 HydrophobicContact CG1-CD1 4.15Å; I602-L610 HydrophobicContact CG2-CB 3.96Å; I607-L610 HydrophobicContact CB-CB 4.41Å; I607-L610 HydrophobicContact CB-CD1 4.42Å; I607-L610 HydrophobicContact CD1-CD1 4.4Å; I607-L610 HydrophobicContact CG2-CB 4.08Å; I607-L610 HydrophobicContact CG2-CD1 3.85Å; I607-L610 HydrophobicContact CG2-CG 3.76Å; I607-L610 PolarHBondContact O-N 3.09Å; I607-L610 VanDerWaalsContact O-N 3.13Å; L610-T612 VanDerWaalsContact C-N 3.29Å; L610-T612 PolarHBondContact O-N 3.38Å; L610-H613 PolarHBondContact O-N 3.04Å; L610-I614 HydrophobicContact CB-CD1 4.35Å; L610-I614 WeakPolarHBondContact O-CB 3.15Å; L610-I614 WeakPolarHBondContact O-CD1 3.4Å; L610-I614 WeakPolarHBondContact O-CG1 3.48Å; L610-I614 PolarHBondContact O-N 2.95Å
611I96.6Very high95.2Very high2 Ų250.4 Ų50.41%0.0125%0.253CS..Hα-helixtrans-55.3-47.4177.1-67.2171000110.3I602 I607 T608 I614 I615 L634 T637 Y638I602-I611 HydrophobicContact CG2-CG1 3.73Å; I607-I611 WeakPolarHBondContact O-CG1 3.28Å; I607-I611 PolarHBondContact O-N 2.93Å; T608-I611 PolarHBondContact O-N 2.9Å; I611-I614 PolarHBondContact O-N 3.23Å; I611-I615 HydrophobicContact CG2-CG1 4.5Å; I611-I615 WeakPolarHBondContact O-CG1 3.34Å; I611-I615 PolarHBondContact O-N 3.49Å; I611-L634 HydrophobicContact CG1-CD1 3.91Å; I611-L634 HydrophobicContact CG2-CD1 4.44Å; I611-T637 HydrophobicContact CD1-CG2 3.91Å; I611-Y638 HydrophobicContact CG2-CD2 4.4Å
612T95.9Very high95.1Very high32 Ų3248.8 Ų48.820%0.19625%0.247CC..Hα-helixtrans-59.4-52.7178.6-55.50000110.7T608 L610 I614 I615 E616 Y638 H642T608-T612 WeakPolarHBondContact O-CB 3.3Å; T608-T612 PolarHBondContact O-N 2.96Å; T608-T612 PolarHBondContact O-OG1 3.27Å; L610-T612 VanDerWaalsContact C-N 3.29Å; L610-T612 PolarHBondContact O-N 3.38Å; T612-I614 VanDerWaalsContact C-N 3.35Å; T612-I614 PolarHBondContact O-N 3.35Å; T612-I615 PolarHBondContact O-N 3.27Å; T612-E616 HydrophobicContact CG2-CG 4.31Å; T612-E616 WeakPolarHBondContact O-CB 3.47Å; T612-E616 VanDerWaalsContact O-CG 3.32Å; T612-E616 WeakPolarHBondContact O-CG 3.5Å; T612-E616 PolarHBondContact O-N 3.29Å; T612-Y638 HydrophobicContact CG2-CE2 4.16Å; T612-H642 PolarHBondContact OG1-CE1 3.07Å
613H95.6Very high94.8Very high11 Ų1153.7 Ų53.75%0.05127%0.268CS..Hα-helixtrans-58-44.3178.5174.669.1000112.9I569 N572 F574 S609 L610 N617 Y618I569-H613 HydrophobicContact CD1-CB 4.22Å; I569-H613 HydrophobicContact CG1-CB 3.8Å; I569-H613 HydrophobicContact CG2-CB 4.34Å; N572-H613 PolarHBondContact OD1-CE1 3.4Å; F574-H613 AromaticContact CD2-CD2 3.88Å; S609-H613 WeakPolarHBondContact O-CB 3.08Å; S609-H613 PolarHBondContact O-N 3.01Å; S609-H613 VanDerWaalsContact O-N 3.14Å; L610-H613 PolarHBondContact O-N 3.04Å; H613-N617 PolarHBondContact ND1-ND2 3.14Å; H613-N617 VanDerWaalsContact ND1-ND2 3.12Å; H613-N617 WeakPolarHBondContact O-CB 3.22Å; H613-N617 PolarHBondContact O-N 3.49Å; H613-N617 PolarHBondContact O-ND2 3.03Å; H613-Y618 AromaticContact NE2-CE2 3.93Å
614I96.8Very high94.6Very high0 Ų055.8 Ų55.80%028%0.284CS..Hα-helixtrans-66.1-47.1-176.9-69.5159.9000110.9F574 F599 I602 L610 I611 T612 Y618 L622 L634F574-I614 HydrophobicContact CD1-CD1 4.39Å; F574-I614 HydrophobicContact CD1-CG1 4.46Å; F574-I614 HydrophobicContact CD2-CG1 4.41Å; F574-I614 HydrophobicContact CE1-CD1 4.17Å; F574-I614 HydrophobicContact CG-CG1 4.33Å; F574-I614 HydrophobicContact CZ-CD1 4.25Å; F599-I614 HydrophobicContact CD1-CD1 3.9Å; F599-I614 HydrophobicContact CD1-CG2 4.26Å; F599-I614 HydrophobicContact CE1-CD1 3.73Å; F599-I614 HydrophobicContact CE1-CG1 4.11Å; F599-I614 HydrophobicContact CE1-CG2 3.9Å; I602-I614 HydrophobicContact CD1-CD1 3.78Å; I602-I614 HydrophobicContact CG2-CD1 4.18Å; L610-I614 HydrophobicContact CB-CD1 4.35Å; L610-I614 WeakPolarHBondContact O-CB 3.15Å; L610-I614 WeakPolarHBondContact O-CD1 3.4Å; L610-I614 WeakPolarHBondContact O-CG1 3.48Å; L610-I614 PolarHBondContact O-N 2.95Å; I611-I614 PolarHBondContact O-N 3.23Å; T612-I614 VanDerWaalsContact C-N 3.35Å; T612-I614 PolarHBondContact O-N 3.35Å; I614-Y618 WeakPolarHBondContact O-CB 3.44Å; I614-Y618 PolarHBondContact O-N 3.47Å; I614-L622 HydrophobicContact CG2-CD1 3.72Å; I614-L634 HydrophobicContact CG2-CD2 3.85Å
615I96.6Very high94.4Very high7 Ų753 Ų534%0.03627%0.266CS..Hα-helixtrans-69.8-46.4-178.4-65.6-58.5000111.2I611 T612 N617 W619 L634 K635 Y638I611-I615 HydrophobicContact CG2-CG1 4.5Å; I611-I615 WeakPolarHBondContact O-CG1 3.34Å; I611-I615 PolarHBondContact O-N 3.49Å; T612-I615 PolarHBondContact O-N 3.27Å; I615-N617 VanDerWaalsContact C-N 3.29Å; I615-N617 PolarHBondContact O-N 3.41Å; I615-W619 HydrophobicContact CD1-CE3 3.89Å; I615-W619 HydrophobicContact CD1-CZ3 4.42Å; I615-W619 HydrophobicContact CG2-CB 4.35Å; I615-W619 WeakPolarHBondContact O-CB 3.42Å; I615-W619 PolarHBondContact O-N 3.31Å; I615-L634 HydrophobicContact CD1-CD2 4.09Å; I615-L634 HydrophobicContact CD1-CG 4.17Å; I615-K635 HydrophobicContact CD1-CB 4.16Å; I615-K635 HydrophobicContact CD1-CD 4.05Å; I615-K635 HydrophobicContact CG1-CD 4.44Å; I615-K635 HydrophobicContact CG2-CD 3.52Å; I615-Y638 HydrophobicContact CB-CD2 3.84Å; I615-Y638 HydrophobicContact CB-CE2 4.24Å; I615-Y638 HydrophobicContact CB-CG 3.98Å; I615-Y638 HydrophobicContact CG1-CD2 4.21Å; I615-Y638 HydrophobicContact CG1-CG 4.08Å; I615-Y638 HydrophobicContact CG2-CD1 3.77Å; I615-Y638 HydrophobicContact CG2-CD2 3.96Å; I615-Y638 HydrophobicContact CG2-CE1 4.01Å; I615-Y638 HydrophobicContact CG2-CE2 4.17Å; I615-Y638 HydrophobicContact CG2-CG 3.75Å
616E95.3Very high94Very high121 Ų12155 Ų5557%0.56528%0.279SS*.Hα-helixtrans-63.6-34.6-177.7-71.5-174.9160.200112.8T612 Y638T612-E616 HydrophobicContact CG2-CG 4.31Å; T612-E616 WeakPolarHBondContact O-CB 3.47Å; T612-E616 VanDerWaalsContact O-CG 3.32Å; T612-E616 WeakPolarHBondContact O-CG 3.5Å; T612-E616 PolarHBondContact O-N 3.29Å; E616-Y638 HydrophobicContact CG-CE2 4.11Å; E616-Y638 PolarHBondContact OE1-OH 3.48Å
617N95.3Very high93.9Very high87 Ų8752.8 Ų52.847%0.46527%0.265SS..Hα-helixtrans-98.2-25-174-65.2-71.4000114.5H613 I615H613-N617 PolarHBondContact ND1-ND2 3.14Å; H613-N617 VanDerWaalsContact ND1-ND2 3.12Å; H613-N617 WeakPolarHBondContact O-CB 3.22Å; H613-N617 PolarHBondContact O-N 3.49Å; H613-N617 PolarHBondContact O-ND2 3.03Å; I615-N617 VanDerWaalsContact C-N 3.29Å; I615-N617 PolarHBondContact O-N 3.41Å
618Y96.1Very high93.7Very high24 Ų2453.5 Ų53.59%0.09427%0.27CS..Hα-helixtrans-130.82.5-168.4-52.4-70.2000115.3F574 K575 L578 H613 I614 D620 I621 L622F574-Y618 HydrophobicContact CB-CE2 4.06Å; K575-Y618 HydrophobicContact CB-CE1 4.35Å; K575-Y618 WeakPolarHBondContact CB-OH 3.07Å; L578-Y618 VanDerWaalsContact CD1-CB 3.45Å; L578-Y618 HydrophobicContact CD1-CD1 3.44Å; L578-Y618 VanDerWaalsContact CD1-CD1 3.44Å; L578-Y618 HydrophobicContact CD1-CD2 3.43Å; L578-Y618 VanDerWaalsContact CD1-CD2 3.43Å; L578-Y618 HydrophobicContact CD1-CE1 4Å; L578-Y618 HydrophobicContact CD1-CE2 3.98Å; L578-Y618 HydrophobicContact CD1-CG 3.12Å; H613-Y618 AromaticContact NE2-CE2 3.93Å; I614-Y618 WeakPolarHBondContact O-CB 3.44Å; I614-Y618 PolarHBondContact O-N 3.47Å; Y618-D620 PolarHBondContact O-N 3.36Å; Y618-D620 VanDerWaalsContact O-N 3.15Å; Y618-I621 PolarHBondContact O-N 3.37Å; Y618-L622 WeakPolarHBondContact O-CG 3.41Å; Y618-L622 PolarHBondContact O-N 3.17Å
619W95.5Very high93.7Very high69 Ų6955.1 Ų55.126%0.26127%0.272SS..Hα-helixtrans-56.4-33.7179.8179.6-115.3000113.8I615 I621 L622 K623 F631 K635I615-W619 HydrophobicContact CD1-CE3 3.89Å; I615-W619 HydrophobicContact CD1-CZ3 4.42Å; I615-W619 HydrophobicContact CG2-CB 4.35Å; I615-W619 WeakPolarHBondContact O-CB 3.42Å; I615-W619 PolarHBondContact O-N 3.31Å; W619-I621 PolarHBondContact O-N 3.26Å; W619-L622 HydrophobicContact CE3-CB 4.19Å; W619-L622 PolarHBondContact O-N 2.99Å; W619-K623 HydrophobicContact CD2-CB 4.24Å; W619-K623 HydrophobicContact CH2-CB 4.27Å; W619-K623 HydrophobicContact CZ2-CB 3.85Å; W619-K623 VanDerWaalsContact O-CB 3.32Å; W619-K623 WeakPolarHBondContact O-CB 3.38Å; W619-K623 WeakPolarHBondContact O-CG 3.49Å; W619-K623 PolarHBondContact O-N 3.33Å; W619-F631 WeakPolarHBondContact CZ3-O 3.35Å; W619-K635 HydrophobicContact CD2-CD 3.82Å; W619-K635 HydrophobicContact CD2-CG 4.29Å; W619-K635 HydrophobicContact CE3-CB 4.07Å; W619-K635 HydrophobicContact CE3-CD 3.98Å; W619-K635 HydrophobicContact CE3-CG 4.24Å; W619-K635 HydrophobicContact CG-CD 4.36Å; W619-K635 HydrophobicContact CH2-CB 3.52Å; W619-K635 HydrophobicContact CH2-CD 4.31Å; W619-K635 HydrophobicContact CH2-CG 3.7Å; W619-K635 HydrophobicContact CZ2-CB 4.11Å; W619-K635 HydrophobicContact CZ2-CD 4.14Å; W619-K635 HydrophobicContact CZ2-CG 3.73Å; W619-K635 HydrophobicContact CZ3-CB 3.51Å; W619-K635 HydrophobicContact CZ3-CD 4.24Å; W619-K635 HydrophobicContact CZ3-CG 3.98Å
620D93.7Very high93.6Very high116 Ų11654.8 Ų54.862%0.6227%0.269SS*.Hα-helixtrans-61.5-27.5178.4-78.6-39.7000114.2Y618 K623 N624Y618-D620 PolarHBondContact O-N 3.36Å; Y618-D620 VanDerWaalsContact O-N 3.15Å; D620-K623 VanDerWaalsContact O-CE 3.28Å; D620-K623 WeakPolarHBondContact O-CE 3.44Å; D620-K623 IonicContact OD1-NZ 2.93Å; D620-K623 PolarHBondContact OD1-NZ 3.5Å; D620-N624 PolarHBondContact O-ND2 2.85Å
621I92.8Very high93.6Very high77 Ų7754.8 Ų54.840%0.39527%0.269SS..Hα-helixtrans-86.8-49175.4-58.6172.9000109V582 Y618 W619 K623 N624V582-I621 HydrophobicContact CG2-CG2 3.58Å; Y618-I621 PolarHBondContact O-N 3.37Å; W619-I621 PolarHBondContact O-N 3.26Å; I621-K623 VanDerWaalsContact C-N 3.33Å; I621-K623 PolarHBondContact O-N 3.47Å; I621-N624 PolarHBondContact O-N 3.24Å
622L93.3Very high93.5Very high2 Ų257.6 Ų57.61%0.0129%0.286CS..Hα-helixtrans-64.8-31.7-173.7-66.2177.7000113.7L578 I614 Y618 W619 N624 I625 F631L578-L622 HydrophobicContact CD2-CD2 3.6Å; L578-L622 HydrophobicContact CD2-CG 4.4Å; I614-L622 HydrophobicContact CG2-CD1 3.72Å; Y618-L622 WeakPolarHBondContact O-CG 3.41Å; Y618-L622 PolarHBondContact O-N 3.17Å; W619-L622 HydrophobicContact CE3-CB 4.19Å; W619-L622 PolarHBondContact O-N 2.99Å; L622-N624 PolarHBondContact O-N 3.07Å; L622-N624 VanDerWaalsContact O-N 3.11Å; L622-I625 HydrophobicContact CD2-CD1 4.14Å; L622-I625 WeakPolarHBondContact O-CB 3.48Å; L622-I625 PolarHBondContact O-N 2.99Å; L622-F631 HydrophobicContact CB-CB 4.39Å; L622-F631 HydrophobicContact CB-CD1 4.34Å; L622-F631 HydrophobicContact CB-CG 4.4Å; L622-F631 HydrophobicContact CD1-CD1 4Å; L622-F631 HydrophobicContact CD1-CE1 4.43Å; L622-F631 HydrophobicContact CD2-CD1 3.59Å; L622-F631 HydrophobicContact CD2-CE1 3.53Å; L622-F631 HydrophobicContact CD2-CG 4.14Å; L622-F631 HydrophobicContact CD2-CZ 4.05Å; L622-F631 HydrophobicContact CG-CD1 4.18Å
623K92.5Very high93.4Very high102 Ų10257.9 Ų57.944%0.44329%0.287SS..THydrogen-bonded Turntrans-61.7-19.5179.572.2-170.6179.3-164.90114.4W619 D620 I621 I625W619-K623 HydrophobicContact CD2-CB 4.24Å; W619-K623 HydrophobicContact CH2-CB 4.27Å; W619-K623 HydrophobicContact CZ2-CB 3.85Å; W619-K623 VanDerWaalsContact O-CB 3.32Å; W619-K623 WeakPolarHBondContact O-CB 3.38Å; W619-K623 WeakPolarHBondContact O-CG 3.49Å; W619-K623 PolarHBondContact O-N 3.33Å; D620-K623 VanDerWaalsContact O-CE 3.28Å; D620-K623 WeakPolarHBondContact O-CE 3.44Å; D620-K623 IonicContact OD1-NZ 2.93Å; D620-K623 PolarHBondContact OD1-NZ 3.5Å; I621-K623 VanDerWaalsContact C-N 3.33Å; I621-K623 PolarHBondContact O-N 3.47Å; K623-I625 VanDerWaalsContact C-N 3.3Å
624N89.9Confident93.3Very high103 Ų10357.4 Ų57.455%0.55128%0.284SS*.THydrogen-bonded Turntrans-86-5.6180-56.3-43.3000112.4D620 I621 L622D620-N624 PolarHBondContact O-ND2 2.85Å; I621-N624 PolarHBondContact O-N 3.24Å; L622-N624 PolarHBondContact O-N 3.07Å; L622-N624 VanDerWaalsContact O-N 3.11Å
625I89.3Confident93.3Very high22 Ų2259.1 Ų59.111%0.11329%0.292CS..  trans-97.498.7-175.2-51.9-176.7000107.9F581 L622 K623 Y627 V628 F631F581-I625 HydrophobicContact CD1-CD1 3.7Å; F581-I625 HydrophobicContact CE1-CD1 3.28Å; F581-I625 HydrophobicContact CE1-CG2 4.25Å; F581-I625 HydrophobicContact CZ-CD1 4.31Å; F581-I625 HydrophobicContact CZ-CG2 4.39Å; L622-I625 HydrophobicContact CD2-CD1 4.14Å; L622-I625 WeakPolarHBondContact O-CB 3.48Å; L622-I625 PolarHBondContact O-N 2.99Å; K623-I625 VanDerWaalsContact C-N 3.3Å; I625-Y627 HydrophobicContact CG2-CD1 3.91Å; I625-Y627 HydrophobicContact CG2-CE1 3.47Å; I625-Y627 VanDerWaalsContact CG2-CE1 3.47Å; I625-V628 HydrophobicContact CG2-CG2 4.23Å; I625-F631 HydrophobicContact CB-CD2 4.03Å; I625-F631 HydrophobicContact CB-CE2 4.35Å; I625-F631 HydrophobicContact CD1-CE2 4.3Å; I625-F631 HydrophobicContact CG2-CD2 3.85Å; I625-F631 HydrophobicContact CG2-CE2 3.84Å
626N88Confident93.1Very high122 Ų12265.1 Ų65.165%0.65231%0.314SS*.  trans-114-5-168.862.8-6.2000114.5V628N626-V628 PolarHBondContact O-N 3.31Å
627Y89.2Confident93Very high88 Ų8861 Ų6135%0.34530%0.297SS..SBendtrans-77.3-12177.969.6-90.2000113F581 Y586 D592 I596 I625F581-Y627 WeakPolarHBondContact CZ-OH 3.44Å; Y586-Y627 HydrophobicContact CD1-CD1 4.17Å; Y586-Y627 HydrophobicContact CD1-CE1 4.38Å; Y586-Y627 HydrophobicContact CE1-CD1 4.42Å; D592-Y627 VanDerWaalsContact CG-OH 3.27Å; D592-Y627 PolarHBondContact OD1-OH 3.17Å; D592-Y627 VanDerWaalsContact OD1-OH 3.08Å; D592-Y627 WeakPolarHBondContact OD2-CE2 3.41Å; D592-Y627 PolarHBondContact OD2-OH 3.42Å; I596-Y627 HydrophobicContact CD1-CE2 4.04Å; I625-Y627 HydrophobicContact CG2-CD1 3.91Å; I625-Y627 HydrophobicContact CG2-CE1 3.47Å; I625-Y627 VanDerWaalsContact CG2-CE1 3.47Å
628V90.7Very high93Very high30 Ų3058.4 Ų58.418%0.18228%0.281CS..  trans-129.5148.7171.6-70.40000111.3I596 I625 N626 F631I596-V628 HydrophobicContact CD1-CG1 3.97Å; I596-V628 HydrophobicContact CD1-CG2 4.41Å; I625-V628 HydrophobicContact CG2-CG2 4.23Å; N626-V628 PolarHBondContact O-N 3.31Å; V628-F631 HydrophobicContact CG2-CD2 3.98Å; V628-F631 HydrophobicContact CG2-CE2 3.96Å
629Q93Very high92.8Very high120 Ų12060.2 Ų60.256%0.56129%0.293SS*.SBendtrans-82.5-17.3178.3-62.7-59-26.200113.4F631 T632 D633Q629-F631 VanDerWaalsContact C-N 3.32Å; Q629-F631 PolarHBondContact O-N 3.25Å; Q629-F631 VanDerWaalsContact O-N 3.13Å; Q629-T632 WeakPolarHBondContact O-CB 3.32Å; Q629-T632 PolarHBondContact O-N 3.11Å; Q629-D633 PolarHBondContact O-N 3.46Å
630T94.1Very high92.6Very high15 Ų1563.3 Ų63.39%0.09231%0.31CS..Hα-helixtrans-45.6-49.2-174.1-53.90000113.5I596 F599 D600 D633 L634I596-T630 HydrophobicContact CG2-CG2 4.4Å; F599-T630 HydrophobicContact CB-CG2 4.19Å; D600-T630 HydrophobicContact CB-CG2 3.77Å; T630-D633 PolarHBondContact O-N 2.97Å; T630-L634 VanDerWaalsContact O-CB 3.28Å; T630-L634 WeakPolarHBondContact O-CB 3.35Å; T630-L634 PolarHBondContact O-N 3.04Å
631F95Very high92Very high1 Ų160.4 Ų60.40%0.00430%0.298CS..Hα-helixtrans-74.5-34.3-177.6-58.6-66.6000113.4F581 F599 W619 L622 I625 V628 Q629 L634 K635F581-F631 HydrophobicContact CD1-CZ 4.31Å; F581-F631 AromaticContact CE1-CE2 3.52Å; F581-F631 HydrophobicContact CE1-CE2 3.52Å; F581-F631 AromaticContact CE1-CZ 3.45Å; F581-F631 HydrophobicContact CE1-CZ 3.45Å; F581-F631 VanDerWaalsContact CE1-CZ 3.45Å; F581-F631 AromaticContact CZ-CE2 3.82Å; F581-F631 HydrophobicContact CZ-CE2 3.82Å; F581-F631 AromaticContact CZ-CZ 3.93Å; F581-F631 HydrophobicContact CZ-CZ 3.93Å; F599-F631 HydrophobicContact CB-CE1 3.94Å; F599-F631 HydrophobicContact CD1-CE1 4.33Å; F599-F631 AromaticContact CD2-CE1 3.61Å; F599-F631 HydrophobicContact CD2-CE1 3.61Å; F599-F631 AromaticContact CD2-CZ 3.96Å; F599-F631 HydrophobicContact CD2-CZ 3.96Å; F599-F631 HydrophobicContact CE2-CE1 4.19Å; F599-F631 AromaticContact CG-CE1 3.71Å; F599-F631 HydrophobicContact CG-CE1 3.71Å; F599-F631 HydrophobicContact CG-CZ 4.42Å; W619-F631 WeakPolarHBondContact CZ3-O 3.35Å; L622-F631 HydrophobicContact CB-CB 4.39Å; L622-F631 HydrophobicContact CB-CD1 4.34Å; L622-F631 HydrophobicContact CB-CG 4.4Å; L622-F631 HydrophobicContact CD1-CD1 4Å; L622-F631 HydrophobicContact CD1-CE1 4.43Å; L622-F631 HydrophobicContact CD2-CD1 3.59Å; L622-F631 HydrophobicContact CD2-CE1 3.53Å; L622-F631 HydrophobicContact CD2-CG 4.14Å; L622-F631 HydrophobicContact CD2-CZ 4.05Å; L622-F631 HydrophobicContact CG-CD1 4.18Å; I625-F631 HydrophobicContact CB-CD2 4.03Å; I625-F631 HydrophobicContact CB-CE2 4.35Å; I625-F631 HydrophobicContact CD1-CE2 4.3Å; I625-F631 HydrophobicContact CG2-CD2 3.85Å; I625-F631 HydrophobicContact CG2-CE2 3.84Å; V628-F631 HydrophobicContact CG2-CD2 3.98Å; V628-F631 HydrophobicContact CG2-CE2 3.96Å; Q629-F631 VanDerWaalsContact C-N 3.32Å; Q629-F631 PolarHBondContact O-N 3.25Å; Q629-F631 VanDerWaalsContact O-N 3.13Å; F631-L634 PolarHBondContact O-N 3.12Å; F631-K635 PolarHBondContact O-N 3.46Å
632T94.2Very high91.4Very high60 Ų6060.5 Ų60.537%0.36830%0.297SS..Hα-helixtrans-66.2-41.9173.9-59.50000110.6Q629 K635 R636Q629-T632 WeakPolarHBondContact O-CB 3.32Å; Q629-T632 PolarHBondContact O-N 3.11Å; T632-K635 PolarHBondContact O-N 3.48Å; T632-R636 PolarHBondContact O-N 3.31Å
633D94.7Very high90.1Very high39 Ų3971 Ų7121%0.20934%0.336CS..Hα-helixtrans-70.6-36.7176.9-67.5-30.8000111.5Q629 T630 K635 R636 T637Q629-D633 PolarHBondContact O-N 3.46Å; T630-D633 PolarHBondContact O-N 2.97Å; D633-K635 VanDerWaalsContact C-N 3.33Å; D633-K635 PolarHBondContact O-N 3.28Å; D633-R636 WeakPolarHBondContact O-CA 3.39Å; D633-R636 WeakPolarHBondContact O-CB 3.28Å; D633-R636 PolarHBondContact O-N 2.99Å; D633-R636 VanDerWaalsContact O-N 3.13Å; D633-R636 IonicContact OD1-CZ 2.76Å; D633-R636 VanDerWaalsContact OD1-CZ 3.24Å; D633-R636 IonicContact OD1-NH1 3.9Å; D633-R636 PolarHBondContact OD1-NH1 3.29Å; D633-R636 IonicContact OD1-NH2 2.59Å; D633-R636 PolarHBondContact OD1-NH2 3.35Å; D633-T637 PolarHBondContact O-N 3.08Å; D633-T637 PolarHBondContact O-OG1 3.23Å
634L94.5Very high88.3Confident0 Ų071.3 Ų71.30%035%0.351CS..Hα-helixtrans-58.8-43.9171.5-170.774.9000111.5F599 I602 R603 I611 I614 I615 T630 F631 R636 T637 Y638F599-L634 HydrophobicContact CD1-CD2 4.49Å; I602-L634 HydrophobicContact CG2-CD1 4.4Å; R603-L634 HydrophobicContact CB-CD1 3.7Å; R603-L634 HydrophobicContact CG-CD1 4.21Å; I611-L634 HydrophobicContact CG1-CD1 3.91Å; I611-L634 HydrophobicContact CG2-CD1 4.44Å; I614-L634 HydrophobicContact CG2-CD2 3.85Å; I615-L634 HydrophobicContact CD1-CD2 4.09Å; I615-L634 HydrophobicContact CD1-CG 4.17Å; T630-L634 VanDerWaalsContact O-CB 3.28Å; T630-L634 WeakPolarHBondContact O-CB 3.35Å; T630-L634 PolarHBondContact O-N 3.04Å; F631-L634 PolarHBondContact O-N 3.12Å; L634-R636 VanDerWaalsContact C-N 3.32Å; L634-R636 PolarHBondContact O-N 3.33Å; L634-T637 PolarHBondContact O-N 3.21Å; L634-Y638 PolarHBondContact O-N 3.21Å
635K95.1Very high86.4Confident36 Ų3672.2 Ų72.216%0.15736%0.36CS..Hα-helixtrans-64-38.3174.4-176.366176.9760112.1I615 W619 F631 T632 D633 Y638 D639I615-K635 HydrophobicContact CD1-CB 4.16Å; I615-K635 HydrophobicContact CD1-CD 4.05Å; I615-K635 HydrophobicContact CG1-CD 4.44Å; I615-K635 HydrophobicContact CG2-CD 3.52Å; W619-K635 HydrophobicContact CD2-CD 3.82Å; W619-K635 HydrophobicContact CD2-CG 4.29Å; W619-K635 HydrophobicContact CE3-CB 4.07Å; W619-K635 HydrophobicContact CE3-CD 3.98Å; W619-K635 HydrophobicContact CE3-CG 4.24Å; W619-K635 HydrophobicContact CG-CD 4.36Å; W619-K635 HydrophobicContact CH2-CB 3.52Å; W619-K635 HydrophobicContact CH2-CD 4.31Å; W619-K635 HydrophobicContact CH2-CG 3.7Å; W619-K635 HydrophobicContact CZ2-CB 4.11Å; W619-K635 HydrophobicContact CZ2-CD 4.14Å; W619-K635 HydrophobicContact CZ2-CG 3.73Å; W619-K635 HydrophobicContact CZ3-CB 3.51Å; W619-K635 HydrophobicContact CZ3-CD 4.24Å; W619-K635 HydrophobicContact CZ3-CG 3.98Å; F631-K635 PolarHBondContact O-N 3.46Å; T632-K635 PolarHBondContact O-N 3.48Å; D633-K635 VanDerWaalsContact C-N 3.33Å; D633-K635 PolarHBondContact O-N 3.28Å; K635-Y638 HydrophobicContact CD-CD1 4.49Å; K635-Y638 WeakPolarHBondContact O-CB 3.44Å; K635-Y638 PolarHBondContact O-N 3.12Å; K635-D639 IonicContact NZ-OD1 2.68Å; K635-D639 PolarHBondContact NZ-OD1 2.57Å; K635-D639 IonicContact NZ-OD2 3.74Å; K635-D639 PolarHBondContact NZ-OD2 3.03Å; K635-D639 PolarHBondContact O-N 3.21Å
636R93.8Very high83.8Confident133 Ų13382.1 Ų82.150%0.50240%0.396SS..Hα-helixtrans-60.7-47.7175-170.4-177-62.4134.99.7110T632 D633 L634 Y638 D639 H640T632-R636 PolarHBondContact O-N 3.31Å; D633-R636 WeakPolarHBondContact O-CA 3.39Å; D633-R636 WeakPolarHBondContact O-CB 3.28Å; D633-R636 PolarHBondContact O-N 2.99Å; D633-R636 VanDerWaalsContact O-N 3.13Å; D633-R636 IonicContact OD1-CZ 2.76Å; D633-R636 VanDerWaalsContact OD1-CZ 3.24Å; D633-R636 IonicContact OD1-NH1 3.9Å; D633-R636 PolarHBondContact OD1-NH1 3.29Å; D633-R636 IonicContact OD1-NH2 2.59Å; D633-R636 PolarHBondContact OD1-NH2 3.35Å; L634-R636 VanDerWaalsContact C-N 3.32Å; L634-R636 PolarHBondContact O-N 3.33Å; R636-Y638 VanDerWaalsContact C-N 3.33Å; R636-Y638 PolarHBondContact O-N 3.42Å; R636-D639 PolarHBondContact O-N 2.63Å; R636-H640 VanDerWaalsContact CG-CE1 3.4Å; R636-H640 WeakPolarHBondContact CG-CE1 3.22Å; R636-H640 PolarHBondContact O-N 2.91Å; R636-H640 PolarHBondContact O-ND1 3.04Å
637T92.5Very high81.6Confident36 Ų3681.9 Ų81.922%0.22140%0.402CS..Hα-helixtrans-58.6-43.8176.8-55.50000111.8I611 D633 L634 D639 H640 S641I611-T637 HydrophobicContact CD1-CG2 3.91Å; D633-T637 PolarHBondContact O-N 3.08Å; D633-T637 PolarHBondContact O-OG1 3.23Å; L634-T637 PolarHBondContact O-N 3.21Å; T637-D639 PolarHBondContact O-N 2.87Å; T637-H640 PolarHBondContact O-N 3.08Å; T637-S641 PolarHBondContact O-N 3.18Å; T637-S641 VanDerWaalsContact O-N 3.11Å; T637-S641 PolarHBondContact O-OG 3.08Å
638Y95Very high79.3Confident32 Ų3284.5 Ų84.513%0.12543%0.426CS..Hα-helixtrans-58.8-45174.2173.2-86.9000113.3I611 T612 I615 E616 L634 K635 R636 H640 S641 H642I611-Y638 HydrophobicContact CG2-CD2 4.4Å; T612-Y638 HydrophobicContact CG2-CE2 4.16Å; I615-Y638 HydrophobicContact CB-CD2 3.84Å; I615-Y638 HydrophobicContact CB-CE2 4.24Å; I615-Y638 HydrophobicContact CB-CG 3.98Å; I615-Y638 HydrophobicContact CG1-CD2 4.21Å; I615-Y638 HydrophobicContact CG1-CG 4.08Å; I615-Y638 HydrophobicContact CG2-CD1 3.77Å; I615-Y638 HydrophobicContact CG2-CD2 3.96Å; I615-Y638 HydrophobicContact CG2-CE1 4.01Å; I615-Y638 HydrophobicContact CG2-CE2 4.17Å; I615-Y638 HydrophobicContact CG2-CG 3.75Å; E616-Y638 HydrophobicContact CG-CE2 4.11Å; E616-Y638 PolarHBondContact OE1-OH 3.48Å; L634-Y638 PolarHBondContact O-N 3.21Å; K635-Y638 HydrophobicContact CD-CD1 4.49Å; K635-Y638 WeakPolarHBondContact O-CB 3.44Å; K635-Y638 PolarHBondContact O-N 3.12Å; R636-Y638 VanDerWaalsContact C-N 3.33Å; R636-Y638 PolarHBondContact O-N 3.42Å; Y638-H640 VanDerWaalsContact C-N 3.3Å; Y638-H640 PolarHBondContact O-N 2.87Å; Y638-S641 PolarHBondContact O-N 3.29Å; Y638-S641 PolarHBondContact O-OG 3.47Å; Y638-H642 AromaticContact CD2-CE1 3.48Å; Y638-H642 VanDerWaalsContact CD2-CE1 3.48Å; Y638-H642 WeakPolarHBondContact CD2-CE1 3.4Å; Y638-H642 AromaticContact CD2-ND1 3.54Å; Y638-H642 HydrophobicContact CE1-CB 4.47Å; Y638-H642 AromaticContact CE2-CE1 3.13Å; Y638-H642 WeakPolarHBondContact CE2-CE1 3.49Å; Y638-H642 AromaticContact CE2-CG 3.99Å; Y638-H642 AromaticContact CE2-ND1 3.43Å; Y638-H642 WeakPolarHBondContact CE2-ND1 3.33Å; Y638-H642 AromaticContact CE2-NE2 3.55Å; Y638-H642 AromaticContact CG-ND1 3.93Å; Y638-H642 AromaticContact CZ-CD2 3.85Å; Y638-H642 AromaticContact CZ-CE1 3.71Å; Y638-H642 AromaticContact CZ-CG 3.79Å; Y638-H642 AromaticContact CZ-ND1 3.7Å; Y638-H642 AromaticContact CZ-NE2 3.82Å; Y638-H642 WeakPolarHBondContact O-CB 3.38Å; Y638-H642 PolarHBondContact O-N 3.15Å; Y638-H642 PolarHBondContact O-ND1 3.23Å
639D93.1Very high76.8Confident62 Ų6290 Ų9033%0.33246%0.46SS..Hα-helixtrans-67.9-30.7-179.5-75.5-30.8000112.7K635 R636 T637 R643K635-D639 IonicContact NZ-OD1 2.68Å; K635-D639 PolarHBondContact NZ-OD1 2.57Å; K635-D639 IonicContact NZ-OD2 3.74Å; K635-D639 PolarHBondContact NZ-OD2 3.03Å; K635-D639 PolarHBondContact O-N 3.21Å; R636-D639 PolarHBondContact O-N 2.63Å; T637-D639 PolarHBondContact O-N 2.87Å; D639-R643 WeakPolarHBondContact O-CB 3.28Å; D639-R643 VanDerWaalsContact O-CG 3.28Å; D639-R643 WeakPolarHBondContact O-CG 3.23Å; D639-R643 PolarHBondContact O-N 2.87Å
640H89.4Confident74.2Confident134 Ų13486.9 Ų86.962%0.6246%0.459SS*.Hα-helixtrans-69.2-42.5173.8-74.380.9000111.5R636 T637 Y638R636-H640 VanDerWaalsContact CG-CE1 3.4Å; R636-H640 WeakPolarHBondContact CG-CE1 3.22Å; R636-H640 PolarHBondContact O-N 2.91Å; R636-H640 PolarHBondContact O-ND1 3.04Å; T637-H640 PolarHBondContact O-N 3.08Å; Y638-H640 VanDerWaalsContact C-N 3.3Å; Y638-H640 PolarHBondContact O-N 2.87Å
641S82.9Confident71.4Confident55 Ų5593.1 Ų93.139%0.38550%0.498SS..Hα-helixtrans-70.2-35.6178.964.30000113T637 Y638T637-S641 PolarHBondContact O-N 3.18Å; T637-S641 VanDerWaalsContact O-N 3.11Å; T637-S641 PolarHBondContact O-OG 3.08Å; Y638-S641 PolarHBondContact O-N 3.29Å; Y638-S641 PolarHBondContact O-OG 3.47Å
642H78.3Confident68.5Low79 Ų7999.9 Ų99.937%0.36654%0.539SS..Hα-helixtrans-84.3-13.8-177.9-73.970.5000114.7T612 Y638 S644T612-H642 PolarHBondContact OG1-CE1 3.07Å; Y638-H642 AromaticContact CD2-CE1 3.48Å; Y638-H642 VanDerWaalsContact CD2-CE1 3.48Å; Y638-H642 WeakPolarHBondContact CD2-CE1 3.4Å; Y638-H642 AromaticContact CD2-ND1 3.54Å; Y638-H642 HydrophobicContact CE1-CB 4.47Å; Y638-H642 AromaticContact CE2-CE1 3.13Å; Y638-H642 WeakPolarHBondContact CE2-CE1 3.49Å; Y638-H642 AromaticContact CE2-CG 3.99Å; Y638-H642 AromaticContact CE2-ND1 3.43Å; Y638-H642 WeakPolarHBondContact CE2-ND1 3.33Å; Y638-H642 AromaticContact CE2-NE2 3.55Å; Y638-H642 AromaticContact CG-ND1 3.93Å; Y638-H642 AromaticContact CZ-CD2 3.85Å; Y638-H642 AromaticContact CZ-CE1 3.71Å; Y638-H642 AromaticContact CZ-CG 3.79Å; Y638-H642 AromaticContact CZ-ND1 3.7Å; Y638-H642 AromaticContact CZ-NE2 3.82Å; Y638-H642 WeakPolarHBondContact O-CB 3.38Å; Y638-H642 PolarHBondContact O-N 3.15Å; Y638-H642 PolarHBondContact O-ND1 3.23Å; H642-S644 VanDerWaalsContact C-N 3.28Å; H642-S644 PolarHBondContact O-N 3.47Å
643R66.8Low65.8Low222 Ų222103.7 Ų103.784%0.83856%0.562SS**THydrogen-bonded Turntrans-73.6-12.3177.2-89.1-180-177.7-138.93.2114.5D639 V645D639-R643 WeakPolarHBondContact O-CB 3.28Å; D639-R643 VanDerWaalsContact O-CG 3.28Å; D639-R643 WeakPolarHBondContact O-CG 3.23Å; D639-R643 PolarHBondContact O-N 2.87Å; R643-V645 PolarHBondContact O-N 3.08Å
644S55Low63Low108 Ų108110 Ų11076%0.75559%0.59SS**THydrogen-bonded Turntrans-85.4-0.1-173.9-149.80000115.5H642H642-S644 VanDerWaalsContact C-N 3.28Å; H642-S644 PolarHBondContact O-N 3.47Å
645V49.4Very low60Low122 Ų122118.6 Ų118.674%0.73963%0.631SS**  trans-116.676.4-178.5-166.70000111.6R643R643-V645 PolarHBondContact O-N 3.08Å
646R35.9Very low57Low231 Ų231121.4 Ų121.487%0.87266%0.66SS**  trans-119.4106.8154.6-85.5-172.2174.9-178.5-0.2108.6V648R646-V648 PolarHBondContact O-N 3.25Å
647P40Very low54.1Low117 Ų117120.5 Ų120.576%0.7667%0.67SS**  trans-72.9115.2176.528.1-29000108.9V649P647-V649 PolarHBondContact O-N 2.96Å
648V41.1Very low51.2Low142 Ų142126.3 Ų126.386%0.86170%0.699SS**  trans-69.8115.9163.5175.80000107.1R646 G650R646-V648 PolarHBondContact O-N 3.25Å; V648-G650 PolarHBondContact O-N 3.37Å
649V40Very low48Very low146 Ų146132.3 Ų132.389%0.88573%0.733SS**  trans-53.8119.4173.11750000109.9P647P647-V649 PolarHBondContact O-N 2.96Å
650G37.2Very low45.2Very low54 Ų54136.2 Ų136.256%0.55776%0.759SS**  trans165.8103.6169.700000114.7V648V648-G650 PolarHBondContact O-N 3.37Å
651T36.3Very low42.4Very low147 Ų147137.9 Ų137.990%0.90277%0.771SS**  trans73.7114.2155.5580000119.1
652V33.9Very low40.1Very low143 Ų143140.5 Ų140.587%0.86779%0.789SS**  trans-73.1122.9173.3173.50000110.5
653T36.5Very low38.1Very low140 Ų140143.2 Ų143.286%0.85981%0.806SS**  trans-154.2144.6147.129.60000110.1
654Q35.8Very low36.5Very low171 Ų171138.7 Ų138.780%0.79980%0.803SS**  trans-65.1164.8-170.5-64.4158.87.800114.2
655Q31.2Very low35.4Very low181 Ų181138.5 Ų138.585%0.84680%0.802SS**  trans105.698.6158.4-68.3161.3-39.600118.2
656A33.6Very low34.7Very low94 Ų94138.3 Ų138.378%0.77780%0.801SS**  trans-147.1110.5144.700000104
657T32.7Very low34.4Very low114 Ų114138.1 Ų138.170%0.69980%0.801SS**  cis42.396.943.661.60000111.6
658L30Very low34Very low158 Ų158142.4 Ų142.483%0.82781%0.808SS**  6597.299.4-116.1158.9000109.4
659D29.5Very low33.8Very low158 Ų158145 Ų14585%0.84581%0.81SS**  trans174.685.7154.9-86.4-20.5000110.5
660V33.7Very low34Very low144 Ų144145.8 Ų145.887%0.87380%0.797SS**  trans-143.668.3154.9-169.80000108.6
661L31.2Very low33.9Very low169 Ų169148.9 Ų148.989%0.88580%0.801SS**  trans-146.690.4162.3-80.2-179.4000108.8
662S34.4Very low34.2Very low110 Ų110144.9 Ų144.977%0.76978%0.783SS**  trans167.7137161.8-89.70000107.6
663L36.7Very low34.7Very low136 Ų136147.8 Ų147.871%0.71278%0.779SS**  cis-176.7143.29.1-101.8158.9000104.7
664T32.2Very low35.3Very low128 Ų128142.8 Ų142.879%0.78575%0.751SS**  trans67.6137.114365.60000117.5
665S32Very low35.9Very low104 Ų104137.6 Ų137.673%0.72773%0.729SS**  cis-173.1161.937-168.50000109.5
666T33.8Very low36.7Very low118 Ų118135.3 Ų135.372%0.72472%0.718SS**  trans96.291.1162.2780000120.8
667R30.9Very low37.5Very low227 Ų227136 Ų13686%0.85771%0.707SS**SBendtrans83.5119.9135.7-69.2-179.6-157.81807120
668F32.2Very low38.5Very low206 Ų206133.1 Ų133.190%0.90469%0.686SS**  trans73.973175.1-57.9-77.8000116.2R670F668-R670 PolarHBondContact O-N 2.81Å
669Q36.1Very low39.6Very low197 Ų197129.9 Ų129.992%0.92167%0.666SS**  trans-80.1102.8174.6-121.1176.30.700111
670R43.6Very low40.7Very low162 Ų162128.9 Ų128.961%0.61166%0.656SS**  trans-60.9145149.5-84.9178.3166122.6-1.7108.6D453 F668 A672D453-R670 IonicContact OD1-CZ 3.5Å; D453-R670 IonicContact OD1-NH2 3.87Å; D453-R670 PolarHBondContact OD1-NH2 3.11Å; D453-R670 IonicContact OD2-NH2 3.95Å; D453-R670 PolarHBondContact OD2-NH2 3.43Å; F668-R670 PolarHBondContact O-N 2.81Å; R670-A672 PolarHBondContact O-N 2.62Å
671D35.9Very low41.8Very low119 Ų119126.9 Ų126.964%0.63664%0.638SS**  trans-70.389.2-174.4-164.5-0.5000111.8R673 A674D671-R673 PolarHBondContact O-N 3.4Å; D671-A674 PolarHBondContact O-N 3.24Å; D671-A674 VanDerWaalsContact O-N 3.14Å
672A42.7Very low42.8Very low64 Ų64121 Ų12153%0.52960%0.604SS.*Hα-helixtrans-59.2-18-173.900000115R670R670-A672 PolarHBondContact O-N 2.62Å
673R43Very low43.2Very low203 Ų203120.7 Ų120.777%0.76659%0.589SS**Hα-helixtrans-81.7-22.9178.6-68.4-171.7-176.1118.3-0113.8D671 L675D671-R673 PolarHBondContact O-N 3.4Å; R673-L675 VanDerWaalsContact C-N 3.35Å
674A51Low43.8Very low35 Ų35119.5 Ų119.529%0.28958%0.583SS.*Hα-helixtrans-71.2-37173.100000110.6D671 M677 E678D671-A674 PolarHBondContact O-N 3.24Å; D671-A674 VanDerWaalsContact O-N 3.14Å; A674-M677 PolarHBondContact O-N 3.33Å; A674-E678 WeakPolarHBondContact O-CG 3.39Å; A674-E678 PolarHBondContact O-N 3.07Å
675L47.4Very low44.6Very low62 Ų62119 Ų11933%0.32557%0.572SS.*Hα-helixtrans-63.8-43.4179.1-75.6167.5000113T518 R673 M677 E678 E679T518-L675 HydrophobicContact CG2-CD2 4.42Å; R673-L675 VanDerWaalsContact C-N 3.35Å; L675-M677 VanDerWaalsContact C-N 3.3Å; L675-M677 PolarHBondContact O-N 3.23Å; L675-E678 PolarHBondContact O-N 2.98Å; L675-E679 WeakPolarHBondContact O-CB 3.42Å; L675-E679 PolarHBondContact O-N 3.48Å
676E47.8Very low45.3Very low133 Ų133117.4 Ų117.462%0.62156%0.555SS**Hα-helixtrans-61.7-37.7176.9-79.3179.3158.300112.2E680E676-E680 PolarHBondContact O-N 2.94Å; E676-E680 VanDerWaalsContact O-N 3.12Å
677M50.4Low45.7Very low110 Ų110119.3 Ų119.354%0.54256%0.555SS.*Hα-helixtrans-78.4-29.5-178.5-167177.163.200113A674 L675 Q681A674-M677 PolarHBondContact O-N 3.33Å; L675-M677 VanDerWaalsContact C-N 3.3Å; L675-M677 PolarHBondContact O-N 3.23Å; M677-Q681 WeakPolarHBondContact O-CG 3.38Å; M677-Q681 PolarHBondContact O-N 3.43Å; M677-Q681 PolarHBondContact O-NE2 2.97Å
678E54Low46.4Very low53 Ų53115 Ų11525%0.24855%0.55CS..Hα-helixtrans-73.9-37.6170.9-77.4174.3-171.600111.4A674 L675 Q681 W682A674-E678 WeakPolarHBondContact O-CG 3.39Å; A674-E678 PolarHBondContact O-N 3.07Å; L675-E678 PolarHBondContact O-N 2.98Å; E678-Q681 PolarHBondContact O-N 2.98Å; E678-W682 PolarHBondContact O-N 2.87Å
679E53.4Low47Very low89 Ų89112.1 Ų112.142%0.41654%0.539SS..Hα-helixtrans-63.4-44.8176.5-171.8168.3-156.800111L675 Q681 W682 F683L675-E679 WeakPolarHBondContact O-CB 3.42Å; L675-E679 PolarHBondContact O-N 3.48Å; E679-Q681 PolarHBondContact O-N 3.31Å; E679-W682 PolarHBondContact O-N 3.47Å; E679-F683 HydrophobicContact CG-CD2 4.21Å; E679-F683 HydrophobicContact CG-CE2 3.67Å; E679-F683 WeakPolarHBondContact O-CD2 3.46Å; E679-F683 PolarHBondContact O-N 3.22Å
680E52.3Low47.1Very low138 Ų138111.1 Ų111.165%0.64553%0.534SS*.Hα-helixtrans-59.1-41.5173.5-76.8-178.7169.800112.9E676 W682 F683 D684E676-E680 PolarHBondContact O-N 2.94Å; E676-E680 VanDerWaalsContact O-N 3.12Å; E680-W682 VanDerWaalsContact C-N 3.3Å; E680-W682 PolarHBondContact O-N 3.3Å; E680-F683 PolarHBondContact O-N 3.4Å; E680-D684 PolarHBondContact O-N 2.96Å
681Q56.4Low46.8Very low102 Ų102112.1 Ų112.148%0.47755%0.546SS..Hα-helixtrans-70-23.1-179.2-79168.261.600114.4M677 E678 E679 Q685M677-Q681 WeakPolarHBondContact O-CG 3.38Å; M677-Q681 PolarHBondContact O-N 3.43Å; M677-Q681 PolarHBondContact O-NE2 2.97Å; E678-Q681 PolarHBondContact O-N 2.98Å; E679-Q681 PolarHBondContact O-N 3.31Å; Q681-Q685 PolarHBondContact O-NE2 3.1Å
682W53.7Low46.8Very low46 Ų46115 Ų11517%0.17456%0.555CS.*Hα-helixtrans-81-38.6177.7-171.275.5000111.4Y519 N523 E678 E679 E680 D684 Q685 D686Y519-W682 AromaticContact CD2-CD2 3.94Å; Y519-W682 HydrophobicContact CD2-CD2 3.94Å; Y519-W682 HydrophobicContact CD2-CE3 4.36Å; Y519-W682 HydrophobicContact CD2-CG 4.01Å; Y519-W682 HydrophobicContact CE2-CB 3.97Å; Y519-W682 AromaticContact CE2-CD1 3.46Å; Y519-W682 VanDerWaalsContact CE2-CD1 3.46Å; Y519-W682 AromaticContact CE2-CD2 3.7Å; Y519-W682 HydrophobicContact CE2-CD2 3.7Å; Y519-W682 AromaticContact CE2-CE2 3.9Å; Y519-W682 AromaticContact CE2-CG 3.38Å; Y519-W682 HydrophobicContact CE2-CG 3.38Å; Y519-W682 AromaticContact CE2-NE1 3.75Å; N523-W682 HydrophobicContact CB-CH2 3.91Å; N523-W682 HydrophobicContact CB-CZ3 4.44Å; N523-W682 WeakPolarHBondContact ND2-CH2 3.14Å; N523-W682 WeakPolarHBondContact ND2-CZ3 3.33Å; E678-W682 PolarHBondContact O-N 2.87Å; E679-W682 PolarHBondContact O-N 3.47Å; E680-W682 VanDerWaalsContact C-N 3.3Å; E680-W682 PolarHBondContact O-N 3.3Å; W682-D684 VanDerWaalsContact C-N 3.29Å; W682-D684 PolarHBondContact O-N 2.82Å; W682-Q685 PolarHBondContact O-N 3.23Å; W682-D686 WeakPolarHBondContact CH2-OD2 3.14Å; W682-D686 VanDerWaalsContact CZ2-OD2 3.29Å; W682-D686 WeakPolarHBondContact CZ2-OD2 2.92Å; W682-D686 WeakPolarHBondContact CZ3-OD2 3.41Å
683F42.1Very low46.4Very low103 Ų103120.6 Ų120.645%0.45257%0.571SS.*Hα-helixtrans-64.6-32.7173.2-73.9-68.8000112.9E679 E680 Q685E679-F683 HydrophobicContact CG-CD2 4.21Å; E679-F683 HydrophobicContact CG-CE2 3.67Å; E679-F683 WeakPolarHBondContact O-CD2 3.46Å; E679-F683 PolarHBondContact O-N 3.22Å; E680-F683 PolarHBondContact O-N 3.4Å; F683-Q685 PolarHBondContact O-N 3.19Å
684D49.7Very low45.9Very low110 Ų110119.3 Ų119.359%0.58858%0.579SS**Hα-helixtrans-69-18177.2-74.3-19.7000113.6E680 W682E680-D684 PolarHBondContact O-N 2.96Å; W682-D684 VanDerWaalsContact C-N 3.29Å; W682-D684 PolarHBondContact O-N 2.82Å
685Q48.9Very low45Very low118 Ų118121.4 Ų121.455%0.55160%0.604SS**Hα-helixtrans-92.2-27.6-178-74.1173.655.300113.5Q681 W682 F683Q681-Q685 PolarHBondContact O-NE2 3.1Å; W682-Q685 PolarHBondContact O-N 3.23Å; F683-Q685 PolarHBondContact O-N 3.19Å
686D47Very low44.5Very low71 Ų71125.8 Ų125.838%0.3863%0.628SS.*Hα-helixtrans-83.6-19.4-179-73.3-13.8000112.7W682 D688W682-D686 WeakPolarHBondContact CH2-OD2 3.14Å; W682-D686 VanDerWaalsContact CZ2-OD2 3.29Å; W682-D686 WeakPolarHBondContact CZ2-OD2 2.92Å; W682-D686 WeakPolarHBondContact CZ3-OD2 3.41Å; D686-D688 VanDerWaalsContact C-N 3.33Å; D686-D688 PolarHBondContact O-N 2.96Å
687E41.4Very low43.6Very low157 Ų157125.6 Ų125.673%0.73463%0.631SS**THydrogen-bonded Turntrans-75.8-16.7177.5-72.2-16817100113.8
688D45.8Very low42.9Very low138 Ų138128.9 Ų128.974%0.73865%0.65SS**THydrogen-bonded Turntrans-101.4-11.5-176.3-76.9-23.3000114.3D686D686-D688 VanDerWaalsContact C-N 3.33Å; D686-D688 PolarHBondContact O-N 2.96Å
689E44.9Very low41.8Very low144 Ų144135.3 Ų135.367%0.67368%0.678SS**THydrogen-bonded Turntrans-107.1-11.4-176.1-69.9-168.6174.500115K473K473-E689 IonicContact NZ-OE2 2.72Å
690E38.6Very low40.9Very low176 Ų176136.6 Ų136.682%0.82269%0.694SS**SBendtrans-95.81-177.8-68.3-166.3166.600115.4
691E37.3Very low39.9Very low183 Ų183137.3 Ų137.386%0.85570%0.697SS**SBendtrans-105.64.1-179.2-70.3-162.4167.900116.1
692E35.8Very low38.9Very low179 Ų179140.7 Ų140.784%0.83671%0.713SS**SBendtrans-114.321.2-174.8-71.4-159.1167.200116.7
693E33.4Very low37.8Very low183 Ų183143.7 Ų143.786%0.85574%0.74SS**SBendtrans-143.571.8171.7-69.4-168.4166.600112.2
694D31.9Very low37.6Very low175 Ų175144.8 Ų144.894%0.93676%0.758SS**  trans-17781150.8-91.7-27.9000111.1
695G33.2Very low36.8Very low80 Ų80145.1 Ų145.183%0.82576%0.764SS**  trans-127.696.4177.500000111.6
696D35.7Very low36.2Very low153 Ų153147.2 Ų147.282%0.81878%0.778SS**  trans-66.3158.1-169.6-137.9-17.3000115.9
697N30.3Very low35.7Very low130 Ų130149.7 Ų149.770%0.69579%0.791SS**  trans-50.9148-177.4-70.1-77.6000116.3
698L34.7Very low35.3Very low179 Ų179148.4 Ų148.494%0.93779%0.789SS**  trans179.4114132.6-91.3157.4000112.2
699F30.8Very low34.6Very low188 Ų188151.6 Ų151.683%0.82579%0.791SS**  trans-57.1160.7174.6-90.9-81.3000115.1
700P34.3Very low34Very low116 Ų116150 Ų15075%0.75379%0.79SS**  -155.4150.86838.9-15.9000121.1
701Q32Very low33.8Very low153 Ų153147 Ų14772%0.71579%0.785SS**  trans37.2124142.8-58.4-173.3-0.300121.9
702H34.9Very low33.4Very low173 Ų173145.7 Ų145.780%0.80178%0.783SS**  160.6126.3110.5-84.3-69.5000112.8
703S31.9Very low33.3Very low108 Ų108141.3 Ų141.376%0.75578%0.778SS**  trans-75.1167.3170.4-23.80000111.8
704P36.5Very low33.1Very low126 Ų126138.2 Ų138.282%0.81878%0.777SS**  -152.4156.77536.6-14.6000119.1
705T33.4Very low33.1Very low118 Ų118134.3 Ų134.372%0.72477%0.768SS**  trans-28148.9158.5-33.60000119.6
706L36.8Very low32.9Very low162 Ų162135.9 Ų135.985%0.84877%0.767SS**  trans-179.4146.8130.6-83.8-171.8000108.6
707L35.8Very low32.6Very low123 Ų123133 Ų13364%0.64477%0.765SS**  cis-179.2141.2-24.5-159.293000106.7
708N33.8Very low32.7Very low129 Ų129132.5 Ų132.569%0.6977%0.771SS**  trans68.6143.7148.2-84.4-1.6000120.9
709R30.4Very low32.4Very low206 Ų206132.1 Ų132.178%0.77777%0.765SS**  cis-179.21314.7167.4171.6-169.1177.74.5110.1
710T31.7Very low32.4Very low109 Ų109128.8 Ų128.867%0.66976%0.762SS**  trans23.2148.8141.969.20000121.5
711T34.9Very low32.1Very low115 Ų115129 Ų12971%0.70676%0.761SS**  cis-174.4144.148.735.70000112.4
712N30.3Very low32.2Very low154 Ų154128.3 Ų128.382%0.82477%0.767SS**  trans42.9127.1135.4-60.1-4.3000123.6
713A32.5Very low32Very low88 Ų88122.7 Ų122.773%0.72776%0.756SS**  146.411397.800000114.2
714S29.3Very low31.8Very low118 Ų118123.9 Ų123.983%0.82576%0.764SS**  trans40.3122.1136.949.30000122
715A32.1Very low31.4Very low92 Ų92121.2 Ų121.276%0.7676%0.76SS**  169.5127110.100000113.5
716S29.1Very low31.3Very low113 Ų113124.1 Ų124.179%0.7977%0.77SS**  trans48.6125.2139.560.40000123.5
717A28.7Very low30.9Very low94 Ų94121.3 Ų121.378%0.77776%0.763SS**  67114.5129.300000119.9
718S32.7Very low30.6Very low119 Ų119122.8 Ų122.883%0.83277%0.772SS**  160.6134.2117.556.30000110.9
719E29.1Very low30.3Very low171 Ų171124.8 Ų124.880%0.79978%0.782SS**  trans-50.7164167.6-60.9175.5143.900112.5
720P30.7Very low30.3Very low117 Ų117119.4 Ų119.476%0.7677%0.774SS**  -146.7141.5101.433.9-16.2000115.9
721T28.2Very low29.9Very low120 Ų120120 Ų12074%0.73678%0.782SS**  trans-42.3135.1149.1-41.70000113.1
722V33.2Very low29.7Very low140 Ų140124.3 Ų124.385%0.84879%0.787SS**  trans-139.3112.5154.9-174.70000108.5
723G29.9Very low29.3Very low54 Ų54119.9 Ų119.956%0.55778%0.778SS**  trans-86.7162.117200000113.4
724S29.1Very low29.1Very low134 Ų134123.8 Ų123.894%0.93779%0.785SS**  trans64.7112.9141.1-51.50000119.7
725G27.9Very low29Very low70 Ų70122.8 Ų122.872%0.72278%0.776SS**  trans146.391.3135.700000114.3
726L30.6Very low28.5Very low179 Ų179124.1 Ų124.194%0.93778%0.78SS**  trans-147.793.6145.6-79.4-174.7000110.5
727S28.4Very low28.4Very low102 Ų102124.3 Ų124.371%0.71378%0.776SS**  trans-60.2128.4155.345.30000111.4
728N29.4Very low28.2Very low154 Ų154127.3 Ų127.382%0.82478%0.777SS**  trans158.191.6138.9-81.7-13000109.4
729L28.5Very low27.9Very low172 Ų172127.8 Ų127.890%0.90178%0.775SS**  trans-105.9128.1158.4-118.683.2000108.4S731L729-S731 PolarHBondContact O-N 3.26Å
730P29.2Very low27.8Very low93 Ų93125.3 Ų125.360%0.60477%0.772SS**  trans-75125.5174.829.5-29000109.9Y732P730-Y732 HydrophobicContact CB-CD2 4.3Å; P730-Y732 HydrophobicContact CB-CE2 3.95Å; P730-Y732 HydrophobicContact CG-CD2 4.34Å; P730-Y732 HydrophobicContact CG-CE2 3.96Å; P730-Y732 PolarHBondContact O-N 3.41Å
731S24.5Very low27.5Very low120 Ų120125 Ų12584%0.83977%0.772SS**  trans-62.4119.2167.1-178.70000109.6L729L729-S731 PolarHBondContact O-N 3.26Å
732Y29.8Very low27.5Very low207 Ų207125 Ų12581%0.81278%0.778SS**  trans-123.2104.9163.9-77.2-79.5000107.6P730P730-Y732 HydrophobicContact CB-CD2 4.3Å; P730-Y732 HydrophobicContact CB-CE2 3.95Å; P730-Y732 HydrophobicContact CG-CD2 4.34Å; P730-Y732 HydrophobicContact CG-CE2 3.96Å; P730-Y732 PolarHBondContact O-N 3.41Å
733G22.8Very low27.2Very low61 Ų61125.2 Ų125.263%0.62977%0.774SS**  trans-87.5143.9161.600000109.7
734L28.9Very low27.1Very low169 Ų169130.3 Ų130.389%0.88579%0.787SS**  trans178.4160.4162.4-101.2153.3000109.4
735P26Very low27.2Very low97 Ų97131.1 Ų131.163%0.6378%0.78SS**  -104.6167.8-103.439.1-30.3000114.1V737P735-V737 PolarHBondContact O-N 3.45Å
736S21.9Very low27Very low121 Ų121131.2 Ų131.285%0.84678%0.782SS**  trans-48.1120.9170.833.10000113.2
737V27.6Very low26.8Very low117 Ų117130.5 Ų130.571%0.70978%0.777SS**  trans-114.9117165.8177.80000107.6P735 T739P735-V737 PolarHBondContact O-N 3.45Å; V737-T739 PolarHBondContact O-N 3.37Å
738I23.6Very low26.6Very low156 Ų156131.9 Ų131.980%0.878%0.781SS**  trans-74.9112.4169.3-63.3166.7000106.5
739T27.1Very low26.4Very low129 Ų129130.2 Ų130.279%0.79178%0.777SS**  trans-99.9110.9169.7-6.80000108.7V737V737-T739 PolarHBondContact O-N 3.37Å
740T25.9Very low26.2Very low119 Ų119127.3 Ų127.373%0.7377%0.771SS**  trans-67132.7172.546.30000110.8
741S24.9Very low26.3Very low110 Ų110128.5 Ų128.577%0.76978%0.781SS**  trans-49.4142.8169.939.90000113
742S28.8Very low26.3Very low121 Ų121130.9 Ų130.985%0.84678%0.784SS**  trans-118.3114.4162.9-71.40000108.4
743D26.3Very low26.3Very low144 Ų144127.4 Ų127.477%0.7779%0.785SS**  trans-60.9143.5176.2-60.1-51.8000112.5
744L28.8Very low26.4Very low161 Ų161134.3 Ų134.384%0.84380%0.801SS**  176.6140120.1-98.4153.9000113.6
745L29.6Very low26.4Very low151 Ų151129.5 Ų129.579%0.79178%0.781SS**  trans86.1105.7176.8-51177.2000113.8
746G24.4Very low26.5Very low73 Ų73129.8 Ų129.875%0.75379%0.786SS**  cis140.768.610.900000110.7
747I26.9Very low26.8Very low164 Ų164133.5 Ų133.584%0.84179%0.787SS**  trans-136118.7156.4-63-177.8000106.2
748V23Very low26.9Very low131 Ų131133.4 Ų133.479%0.79479%0.787SS**  trans-90.4120.4-177.2-179.20000108.8
749T26.9Very low27Very low119 Ų119131.2 Ų131.273%0.7379%0.785SS**  trans-134127.2147.952.80000108.9
750S23.6Very low27.2Very low110 Ų110132.3 Ų132.377%0.76979%0.785SS**  trans-86.7121.1-173.434.60000111.9
751S30.7Very low27.1Very low118 Ų118132 Ų13283%0.82579%0.788SS**  trans-158.296152.3-38.90000109.4
752D24.1Very low27.4Very low170 Ų170131.8 Ų131.891%0.90979%0.787SS**  trans-79.5111.8167.6-82.6-40.6000109.2
753T30Very low27.3Very low134 Ų134131.8 Ų131.882%0.82279%0.786SS**  trans-145.6122.9148.8350000108.6
754Q26.1Very low27.6Very low206 Ų206131.4 Ų131.496%0.96379%0.789SS**  trans-72122.2179.5-64.8170.113.900109.4
755S28.6Very low27.6Very low68 Ų68127.9 Ų127.948%0.47678%0.783SS.*  trans-131.2120.8161.6690000110.3
756S27.7Very low27.7Very low104 Ų104126.7 Ų126.773%0.72778%0.784SS**  trans-74121.1-179.940.60000111.1V758S756-V758 PolarHBondContact O-N 2.97Å
757F28.3Very low27.9Very low199 Ų199128.7 Ų128.787%0.87379%0.787SS**  trans-70.2115.6165.5-85.7-87.6000110
758V30.1Very low28.2Very low115 Ų115128.9 Ų128.970%0.69779%0.79SS**  trans-86.5111.9171.2-174.40000108.1S756 L760S756-V758 PolarHBondContact O-N 2.97Å; V758-L760 HydrophobicContact CG1-CG 4.26Å; V758-L760 PolarHBondContact O-N 3.07Å
759S26.1Very low28.5Very low110 Ų110127.8 Ų127.877%0.76979%0.788SS**  trans-77.7103.4167.130.20000109.5S761S759-S761 PolarHBondContact O-N 3.04Å
760L29.6Very low28.8Very low151 Ų151127.2 Ų127.279%0.79179%0.788SS**  trans-90.197.7171.2-85.5159.5000109.9V758V758-L760 HydrophobicContact CG1-CG 4.26Å; V758-L760 PolarHBondContact O-N 3.07Å
761S25.6Very low29.1Very low114 Ų114129.5 Ų129.580%0.79779%0.791SS**  trans-85.4108.5161.7-50.70000109.2S759S759-S761 PolarHBondContact O-N 3.04Å
762S30.6Very low29.2Very low105 Ų105130.5 Ų130.573%0.73479%0.787SS**  trans-120.7100.416663.20000110.6
763S27.5Very low29.4Very low120 Ų120127 Ų12784%0.83978%0.777SS**  trans-72116.2165.654.10000110.1
764V31.6Very low29.4Very low137 Ų137126.9 Ų126.983%0.8378%0.779SS**  trans-104.9107.1163.5178.80000107.7
765A28.3Very low29.7Very low87 Ų87120.8 Ų120.872%0.71977%0.765SS**PPolyproline II helixtrans-85.4138.616700000109.4
766P32.6Very low29.7Very low125 Ų125123.8 Ų123.881%0.81278%0.78SS**PPolyproline II helixtrans-80.7125.3179.230.8-30.2000110.7
767S28.2Very low29.9Very low116 Ų116125.1 Ų125.181%0.81178%0.783SS**PPolyproline II helixtrans-72123.8168.851.20000110.9
768N32.5Very low29.8Very low168 Ų168123 Ų12390%0.89878%0.781SS**  trans-126.3127.9161.5-105.7-16.5000110.4
769S30.2Very low30.2Very low108 Ų108122.2 Ų122.276%0.75578%0.778SS**  trans-72.6140.6-179.250.90000114
770S33Very low30.4Very low106 Ų106125.8 Ų125.874%0.74178%0.782SS**  166.4122.3122.847.40000113.8
771L30.8Very low30.8Very low158 Ų158124 Ų12483%0.82778%0.78SS**  trans33.6117.2134-60.9153000119
772D31.6Very low31.1Very low139 Ų139124.1 Ų124.174%0.74378%0.78SS**  169.312586.3-122.6-27.5000113.7
773S29.4Very low31Very low98 Ų98126.4 Ų126.469%0.68578%0.784SS**  trans45.3131.7134-560000125.6
774C29.5Very low31.1Very low130 Ų130131 Ų13188%0.87879%0.79SS**  trans77.8144.5148.2-72.50000119.8
775A31.9Very low30.9Very low79 Ų79129.4 Ų129.465%0.65378%0.784SS**  cis-175.5138.4-17.300000107.7
776T29.4Very low31.3Very low131 Ų131130 Ų13080%0.80478%0.78SS**  trans74.5134.1140.9-19.30000123.4
777V32Very low31.3Very low131 Ų131133.5 Ų133.579%0.79478%0.783SS**  trans119.2105.1137.6-171.80000117.4
778L25.8Very low31.3Very low155 Ų155133 Ų13381%0.81278%0.78SS**  trans-64.1-172.4157.4-69.7159.2000111.7
779P37.2Very low31.2Very low98 Ų98130.6 Ų130.664%0.63677%0.771SS**  cis-147.7173.75.624.43.8000119
780H31.9Very low31.1Very low185 Ų185133 Ų13386%0.85677%0.772SS**  trans74.3150.9137.6-73.4-48.4000125.8
781P37.4Very low30.9Very low115 Ų115134.2 Ų134.275%0.74777%0.77SS**  trans-122.4179.4-15841.8-24.4000115.6
782S32Very low30.7Very low115 Ų115133.2 Ų133.280%0.80477%0.766SS**  trans-155.2121.9164.858.70000115.6
783N27.5Very low30.6Very low154 Ų154134.2 Ų134.282%0.82477%0.77SS**  trans-1.3142.4153.6-69.9-21.1000121.7
784F30.4Very low30.4Very low217 Ų217134.6 Ų134.695%0.95277%0.769SS**  -163.4139.6125.7-101.6-75.9000111.6
785S26.7Very low30.4Very low103 Ų103135.1 Ų135.172%0.7276%0.762SS**  trans-149.8-175.4177.171.60000107.3
786P37.9Very low30.3Very low98 Ų98137.7 Ų137.764%0.63677%0.765SS**  cis-137.2-159.3-36.430.1-6.9000112.3
787K31.3Very low30.4Very low200 Ų200138.9 Ų138.987%0.8777%0.766SS**  trans104.5141.8156.6-62.3-179.2-179.9178.90115.3
788S30Very low30.1Very low106 Ų106138.1 Ų138.174%0.74177%0.765SS**  cis-173.7153.515.5172.40000106.3
789V30.3Very low30.3Very low117 Ų117138.4 Ų138.471%0.70977%0.766SS**  17012280.2-179.20000105
790M26.3Very low30.1Very low159 Ų159138.9 Ų138.978%0.78377%0.769SS**  46.1131.199.5-93.3167.288.400115
791D30.6Very low29.9Very low130 Ų130135 Ų13570%0.69576%0.762SS**  -166.3161.555.6-94.2-42.3000114.3
792N25.8Very low29.3Very low138 Ų138141 Ų14174%0.73877%0.77SS**  trans-73.9170.2-179.2-63.3-60.6000115.6
793L29.2Very low29.3Very low160 Ų160141.2 Ų141.284%0.83877%0.771SS**  trans165.892.9135.4-85.9164.3000107.9
794T25.6Very low29.4Very low106 Ų106137.4 Ų137.465%0.6577%0.769SS**  41.9132.785.860.30000117.7
795D30Very low29.4Very low140 Ų140131.8 Ų131.875%0.74976%0.757SS**  trans112138.7158.5-68.4-18.3000114.4
796N29.4Very low29.5Very low133 Ų133133.8 Ų133.871%0.71176%0.758SS**  cis179.5171.4-17.2-116.4-44.3000104.1
797L30.7Very low29Very low156 Ų156133.9 Ų133.982%0.81776%0.76SS**  trans90.897170.8-54.5152.8000114.1
798C26.5Very low28.9Very low115 Ų115130.7 Ų130.778%0.77775%0.753SS**  55.2107.751.8-116.90000113
799I30.4Very low28.8Very low162 Ų162134.8 Ų134.883%0.83175%0.752SS**  -178.9130.2125.1-83.2149.6000109.2
800P32.9Very low28.7Very low107 Ų107137.6 Ų137.670%0.69576%0.762SS**  trans-100.4174.2177.838.4-31.9000113
801S26.5Very low28.7Very low103 Ų103139.5 Ų139.572%0.7276%0.761SS**  trans133.6126.5137.4-53.80000116.2
802R25.7Very low28.6Very low242 Ų242141.7 Ų141.791%0.91377%0.771SS**  trans59.8115.1136.6-81.2177.6146.7-174.9-5.2120.8
803S32.4Very low28.5Very low119 Ų119145.7 Ų145.783%0.83278%0.776SS**  171.5122.6119.651.50000107.8
804G28.2Very low28.5Very low75 Ų75143.3 Ų143.377%0.77377%0.77SS**  72.5124.992.100000109.9
805S31.4Very low28.7Very low99 Ų99146 Ų14669%0.69278%0.775SS**  cis173.9156.54272.20000110.2
806L28.8Very low28.3Very low144 Ų144145.9 Ų145.975%0.75478%0.78SS**  trans76.9112.8141.1-66.6165000117.4
807C26.5Very low28.2Very low100 Ų100145.6 Ų145.668%0.67678%0.782SS**  79.9131.789.6-82.30000111.2
808D29.4Very low27.9Very low133 Ų133145.9 Ų145.971%0.71178%0.784SS**  cis-157.1132.428.4-84.6-44.3000108.7
809R28.1Very low27.9Very low192 Ų192148.3 Ų148.373%0.72579%0.788SS**  59.4108.687.1-83.4-168.4170.4-170.10.9115.8
810L28.3Very low27.7Very low176 Ų176147.6 Ų147.692%0.92179%0.786SS**  -167.481.7129.5-80.6-175.3000106.4
811R26.3Very low27.6Very low200 Ų200149 Ų14976%0.75579%0.788SS**  19.411893.5-82-170.8-179.1167.3-0.9116
812L28.4Very low27.7Very low176 Ų176150.7 Ų150.792%0.92179%0.789SS**  -152.2116.3124.2-96.2156.8000109.2
813R24.6Very low27.9Very low222 Ų222146.4 Ų146.484%0.83878%0.784SS**  trans-87.1153.7156.7-117.4-176.5-176.1169.40.5105.4
814P29.2Very low27.8Very low110 Ų110149.9 Ų149.971%0.71479%0.787SS**  -148.9132.9102.631.4-11.1000113.2
815H28.1Very low27.7Very low162 Ų162151.4 Ų151.475%0.7579%0.786SS**  73.5108.5107.7-77.2-78.6000116.2V817H815-V817 PolarHBondContact O-N 2.83Å
816T23.5Very low27.7Very low138 Ų138151.7 Ų151.785%0.84779%0.788SS**  trans-44.5120.4151.1-27.40000111.1
817V27.2Very low27.6Very low127 Ų127151.7 Ų151.777%0.7779%0.794SS**  trans-136.6117.1157.7177.20000107.3H815H815-V817 PolarHBondContact O-N 2.83Å
818L23.5Very low27.6Very low161 Ų161151.1 Ų151.184%0.84380%0.797SS**  trans-58.1127.4165.3-70.5156.4000109.6
819L27.4Very low27.5Very low167 Ų167156.2 Ų156.287%0.87481%0.806SS**  trans-161140.3143.3-82.8-167.9000110.3
820N25.1Very low27.3Very low147 Ų147152.8 Ų152.879%0.78680%0.801SS**  trans-66.8174.1-179.6-66.3-21.5000114
821D30.9Very low27.2Very low135 Ų135152.5 Ų152.572%0.72280%0.8SS**  trans105.199.2152.3-60.8-15000116.6
822D29.1Very low27.2Very low139 Ų139151 Ų15174%0.74380%0.8SS**  64.8126.7121.1-61.3-19.2000121.5
823N28.8Very low27Very low152 Ų152146.5 Ų146.581%0.81380%0.796SS**  trans64.9106.8146.5-79.6-17.1000118
824E30.5Very low27.1Very low193 Ų193144.2 Ų144.290%0.90279%0.787SS**  179.6140.396-95.6-172.6160.900112
825S27.7Very low27.2Very low107 Ų107143.2 Ų143.275%0.74877%0.773SS**  trans-70.5134.9-178.251.60000113.7
826S30Very low27.2Very low105 Ų105138.8 Ų138.873%0.73476%0.758SS**  trans-151113.5151-78.20000110.2
827T26.5Very low27.6Very low144 Ų144134.7 Ų134.788%0.88373%0.733SS**  trans-69.8114.5-174.444.80000112.5
828A27.9Very low27.7Very low88 Ų88129 Ų12973%0.72770%0.698SS**  trans-107.6118158.400000108L830A828-L830 PolarHBondContact O-N 2.6Å
829R25.8Very low28.2Very low240 Ų240123.2 Ų123.291%0.90667%0.674SS**  trans-65.894177.7-74.6178.11801720.9109.6
830L25.6Very low28.6Very low120 Ų120115.7 Ų115.763%0.62864%0.635SS**  trans-80.5110160.3-69.9165.5000107A828 F832A828-L830 PolarHBondContact O-N 2.6Å; L830-F832 HydrophobicContact CB-CD2 3.78Å; L830-F832 HydrophobicContact CB-CE2 4Å; L830-F832 HydrophobicContact CD1-CE2 4.27Å; L830-F832 PolarHBondContact O-N 2.64Å
831N26.2Very low29Very low169 Ų169110.3 Ų110.390%0.90461%0.605SS**  trans-64.478.7168.4-86.8-16.6000109.2
832F25.1Very low29Very low170 Ų170105.2 Ų105.275%0.74658%0.577SS**  trans-87.3127.9161.1-85.9-82.6000108.2L830 R834L830-F832 HydrophobicContact CB-CD2 3.78Å; L830-F832 HydrophobicContact CB-CE2 4Å; L830-F832 HydrophobicContact CD1-CE2 4.27Å; L830-F832 PolarHBondContact O-N 2.64Å; F832-R834 PolarHBondContact O-N 3.12Å
833G25.2Very low29Very low81 Ų81103.7 Ų103.784%0.83556%0.564SS**  trans-55.398.7-178.600000112Q835G833-Q835 PolarHBondContact O-N 2.88Å
834R25.8Very low28.9Very low173 Ų17399.9 Ų99.965%0.65355%0.549SS*.  trans-66.8119.3153.5-85.1-173.5173.4-177.61106.3F832 T836 V1047F832-R834 PolarHBondContact O-N 3.12Å; R834-T836 PolarHBondContact O-N 3.34Å; R834-V1047 PolarHBondContact NH1-OXT 2.73Å; R834-V1047 PolarHBondContact NH2-OXT 3.25Å; R834-V1047 VanDerWaalsContact NH2-OXT 3.15Å
835Q31.2Very low28.7Very low89 Ų8998.1 Ų98.142%0.41655%0.545SS..  trans-53.9105.4163.6-76.2179.3-11.100107.2G833G833-Q835 PolarHBondContact O-N 2.88Å
836T29.4Very low28.5Very low70 Ų7098.4 Ų98.443%0.42955%0.546SS..  trans-66.9131.4171.939.70000107.6E345 R834E345-T836 PolarHBondContact OE1-OG1 3.22Å; E345-T836 PolarHBondContact OE2-OG1 2.74Å; R834-T836 PolarHBondContact O-N 3.34Å
837P30Very low28.2Very low52 Ų52105.1 Ų105.134%0.33856%0.555SS.*  trans-57.8145.3168.523.8-30.7000107.8Y273 Q276 A839Y273-P837 HydrophobicContact CD2-CB 4.15Å; Y273-P837 HydrophobicContact CE2-CB 4.28Å; Q276-P837 HydrophobicContact CG-CB 4.01Å; P837-A839 VanDerWaalsContact C-N 3.34Å; P837-A839 PolarHBondContact O-N 3.13Å
838I30.3Very low28.2Very low7 Ų7107 Ų1074%0.03655%0.554CS.*  trans-47.1100176.7-62.3-176.4000108.6T272 K305 I308 I349 I840T272-I838 HydrophobicContact CG2-CD1 3.33Å; T272-I838 HydrophobicContact CG2-CG1 4.06Å; K305-I838 HydrophobicContact CD-CG1 4.43Å; K305-I838 HydrophobicContact CG-CD1 3.54Å; K305-I838 HydrophobicContact CG-CG1 3.89Å; I308-I838 HydrophobicContact CD1-CD1 3.42Å; I308-I838 VanDerWaalsContact CD1-CD1 3.42Å; I349-I838 HydrophobicContact CD1-CG1 4.13Å; I838-I840 VanDerWaalsContact C-N 3.28Å; I838-I840 HydrophobicContact CG2-CD1 4.42Å; I838-I840 HydrophobicContact CG2-CG1 4.09Å; I838-I840 PolarHBondContact O-N 3.42Å; I838-I840 VanDerWaalsContact O-N 3.13Å
839A33.6Very low28.1Very low40 Ų40110.3 Ų110.333%0.33155%0.552SS.*  trans-91.571.4-178.500000108P837 H841P837-A839 VanDerWaalsContact C-N 3.34Å; P837-A839 PolarHBondContact O-N 3.13Å; A839-H841 PolarHBondContact O-N 2.8Å
840I35.7Very low28.2Very low9 Ų9106.8 Ų106.85%0.04655%0.549CS..SBendtrans-72.173145.9-58.9178.9000105.2F254 K255 I269 F342 I838 I842F254-I840 HydrophobicContact CD2-CG2 4.45Å; F254-I840 HydrophobicContact CE2-CB 4.02Å; F254-I840 HydrophobicContact CE2-CG2 3.61Å; F254-I840 HydrophobicContact CZ-CG2 4.18Å; K255-I840 WeakPolarHBondContact O-CG2 3.32Å; I269-I840 HydrophobicContact CB-CD1 4.41Å; I269-I840 HydrophobicContact CD1-CD1 3.23Å; I269-I840 HydrophobicContact CG1-CD1 3.61Å; I269-I840 HydrophobicContact CG2-CD1 3.91Å; F342-I840 HydrophobicContact CD2-CG1 4.26Å; F342-I840 HydrophobicContact CE2-CD1 4.2Å; F342-I840 HydrophobicContact CE2-CG1 3.89Å; I838-I840 VanDerWaalsContact C-N 3.28Å; I838-I840 HydrophobicContact CG2-CD1 4.42Å; I838-I840 HydrophobicContact CG2-CG1 4.09Å; I838-I840 PolarHBondContact O-N 3.42Å; I838-I840 VanDerWaalsContact O-N 3.13Å; I840-I842 VanDerWaalsContact C-N 3.35Å; I840-I842 PolarHBondContact O-N 3Å
841H33.1Very low28.2Very low34 Ų34107 Ų10716%0.15755%0.547CS..  trans1665.6-173.5-101.4-70000116K255 V257 D338 L341 A839 K843K255-H841 HydrophobicContact CB-CB 4.07Å; K255-H841 WeakPolarHBondContact CB-O 3.49Å; K255-H841 HydrophobicContact CD-CB 4.03Å; K255-H841 HydrophobicContact CG-CB 4.47Å; V257-H841 HydrophobicContact CG2-CB 4.39Å; D338-H841 IonicContact OD1-CD2 3.47Å; D338-H841 IonicContact OD1-CE1 3.65Å; D338-H841 IonicContact OD1-NE2 2.91Å; L341-H841 WeakPolarHBondContact CB-NE2 3.37Å; L341-H841 WeakPolarHBondContact CD1-NE2 3.32Å; A839-H841 PolarHBondContact O-N 2.8Å; H841-K843 PolarHBondContact O-N 2.75Å; H841-K843 VanDerWaalsContact O-N 3.07Å
842I31.2Very low28.2Very low28 Ų28105.2 Ų105.214%0.14454%0.542CS..  trans-79.892.6164.6-54.4-166.8000108A252 T253 F254 Y273 I840 S844A252-I842 HydrophobicContact CB-CG2 3.91Å; T253-I842 VanDerWaalsContact O-CA 3.22Å; T253-I842 WeakPolarHBondContact O-CA 3.48Å; T253-I842 WeakPolarHBondContact O-CG2 3.28Å; F254-I842 HydrophobicContact CD2-CD1 4.36Å; F254-I842 HydrophobicContact CD2-CG1 4.4Å; Y273-I842 HydrophobicContact CD1-CD1 3.83Å; Y273-I842 HydrophobicContact CD2-CD1 3.9Å; Y273-I842 HydrophobicContact CE1-CD1 4.02Å; Y273-I842 HydrophobicContact CE1-CG2 4.41Å; Y273-I842 HydrophobicContact CE2-CB 4.29Å; Y273-I842 HydrophobicContact CE2-CD1 4.1Å; Y273-I842 HydrophobicContact CE2-CG2 4.36Å; Y273-I842 HydrophobicContact CG-CD1 3.76Å; I840-I842 VanDerWaalsContact C-N 3.35Å; I840-I842 PolarHBondContact O-N 3Å; I842-S844 PolarHBondContact O-N 2.8Å; I842-S844 VanDerWaalsContact O-N 3.16Å
843K29.9Very low28.4Very low107 Ų107102.9 Ų102.947%0.46554%0.542SS..BIsolated β-bridgetrans-62.2116.6174.4-82.5-173.7175.9-176.50108.7T253 H841T253-K843 PolarHBondContact OG1-O 3.15Å; H841-K843 PolarHBondContact O-N 2.75Å; H841-K843 VanDerWaalsContact O-N 3.07Å
844S27Very low28.4Very low72 Ų72103.7 Ų103.750%0.50354%0.535SS..  trans-83.8108.6152.2178.40000107.7I842 C846I842-S844 PolarHBondContact O-N 2.8Å; I842-S844 VanDerWaalsContact O-N 3.16Å; S844-C846 VanDerWaalsContact C-N 3.3Å; S844-C846 PolarHBondContact O-N 3.18Å; S844-C846 VanDerWaalsContact O-N 3.1Å
845L24.9Very low28.6Very low155 Ų155102.9 Ų102.981%0.81254%0.543SS*.  trans-76.385.6166.6-102.3120.4000108.4
846C24.7Very low28.4Very low114 Ų114102 Ų10277%0.7756%0.558SS**  trans-127.172.9158.2-74.50000108.2S844S844-C846 VanDerWaalsContact C-N 3.3Å; S844-C846 PolarHBondContact O-N 3.18Å; S844-C846 VanDerWaalsContact O-N 3.1Å
847R24.2Very low28.4Very low245 Ų245108.8 Ų108.893%0.92558%0.582SS**  trans-128.567.2161.6-142.8-175.8-135.1-122.26.7106.7
848E26.2Very low28.3Very low184 Ų184115.2 Ų115.286%0.8661%0.607SS**  trans-73126.4163.8-85.5-171.3163.600108.2I850E848-I850 PolarHBondContact O-N 3.3Å; E848-I850 VanDerWaalsContact O-N 3.1Å
849K25.3Very low28.4Very low158 Ų158123 Ų12369%0.68765%0.646SS**  trans-53.1108.8173.7-69.2169.9158-133.80109.5E851K849-E851 HydrophobicContact CB-CG 4.48Å; K849-E851 IonicContact NZ-OE1 2.88Å; K849-E851 PolarHBondContact NZ-OE1 3.26Å; K849-E851 IonicContact NZ-OE2 2.74Å; K849-E851 PolarHBondContact O-N 3.31Å; K849-E851 VanDerWaalsContact O-N 3.12Å
850I27.5Very low28.2Very low165 Ų165126.2 Ų126.285%0.84667%0.665SS**  trans-83.270.9152-56177.6000105.7E848 T852E848-I850 PolarHBondContact O-N 3.3Å; E848-I850 VanDerWaalsContact O-N 3.1Å; I850-T852 PolarHBondContact O-N 3.06Å
851E26.7Very low27.9Very low126 Ų126129.3 Ų129.359%0.58970%0.7SS**  trans-75.5111.3155.9-88.2169.1-160.800105.2K849 V853K849-E851 HydrophobicContact CB-CG 4.48Å; K849-E851 IonicContact NZ-OE1 2.88Å; K849-E851 PolarHBondContact NZ-OE1 3.26Å; K849-E851 IonicContact NZ-OE2 2.74Å; K849-E851 PolarHBondContact O-N 3.31Å; K849-E851 VanDerWaalsContact O-N 3.12Å; E851-V853 PolarHBondContact O-N 2.89Å
852T25.3Very low27.7Very low130 Ų130136 Ų13680%0.79873%0.731SS**  trans-50.299.8166.9460000109.5I850I850-T852 PolarHBondContact O-N 3.06Å
853V28.4Very low27.6Very low121 Ų121142 Ų14273%0.73376%0.763SS**  trans-11588.5162.2-177.10000106.5E851 D855E851-V853 PolarHBondContact O-N 2.89Å; V853-D855 PolarHBondContact O-N 3.35Å
854S25.8Very low27.6Very low99 Ų99142 Ų14269%0.69278%0.776SS**  trans-53.8108.7148.948.30000108.3
855D29.7Very low28Very low155 Ų155144.3 Ų144.383%0.82979%0.79SS**  174138.8129.4-88.2-19.5000111.2V853V853-D855 PolarHBondContact O-N 3.35Å
856G27.6Very low28.3Very low70 Ų70142.1 Ų142.172%0.72279%0.787SS**  trans-77.1163.1-15500000117.2
857F29.3Very low28.7Very low213 Ų213143.7 Ų143.793%0.93479%0.787SS**  trans-133.697.6155.6-113.1-89.7000108.4
858E28.2Very low29.1Very low188 Ų188139.1 Ų139.188%0.87978%0.78SS**  trans-67.5139.1162.7-76.6-177.3146.900110.2
859M31.7Very low29.4Very low171 Ų171134.3 Ų134.384%0.84277%0.772SS**  trans-11399156.8-96.8-73.1-7600109.3
860S28.9Very low29.9Very low106 Ų106131.7 Ų131.774%0.74177%0.774SS**  trans63.2106136-54.40000119.5
861G30.5Very low30.1Very low75 Ų75130.7 Ų130.777%0.77377%0.77SS**  trans-175.662.4165.100000115.7
862Q28.2Very low30.4Very low175 Ų175130.7 Ų130.782%0.81878%0.779SS**  trans35.9115.5155.3-53.8-172.12.200119.9
863L30.3Very low30.8Very low152 Ų152129 Ų12980%0.79677%0.772SS**  164.2106.6109.5-85.4164000112.5
864S30.3Very low31Very low107 Ų107130.9 Ų130.975%0.74878%0.777SS**  trans90136.4136.3-440000121.4
865P34.1Very low31.4Very low122 Ų122130 Ų13079%0.79277%0.771SS**  trans-125.2158.4-157.138.8-20.6000115.4
866S31.8Very low31.5Very low109 Ų109130.1 Ų130.176%0.76277%0.772SS**  trans166139.115447.80000109.1
867L31.8Very low31.9Very low147 Ų147130.2 Ų130.277%0.7777%0.766SS**  cis-174.9150.113.9-105.7163.3000108.6
868L32.9Very low32.2Very low148 Ų148129.4 Ų129.478%0.77576%0.762SS**  trans78.6104.2149-65.2154.5000118.9
869A32.1Very low32.5Very low84 Ų84127.6 Ų127.669%0.69476%0.758SS**  79.4132.979.600000112.4
870S36.1Very low32.8Very low102 Ų102124 Ų12471%0.71375%0.747SS**  cis-171.8143.243.1-25.40000111.7
871D31.4Very low33.1Very low144 Ų144125.6 Ų125.677%0.7775%0.748SS**  trans38136.4134.3-52.4-33.2000121.6
872T34.9Very low33.3Very low127 Ų127129.8 Ų129.878%0.77975%0.747SS**  176.6124.46411.10000106.8
873S31.8Very low33.7Very low93 Ų93128 Ų12865%0.6574%0.742SS**  87.914471.580.80000117.2
874L34.2Very low34Very low161 Ų161126.6 Ų126.684%0.84374%0.735SS**  trans97135.7163.3-62138.2000118.2
875S33Very low34.3Very low81 Ų81127.2 Ų127.257%0.56673%0.73SS**  cis166.5151.4-34.453.40000107.9
876N32.4Very low34.4Very low158 Ų158127.6 Ų127.685%0.84573%0.725SS**  trans77.4140.3153.8-68.4-24.4000118.4
877A35.6Very low34.6Very low71 Ų71128.6 Ų128.659%0.58772%0.718SS**  cis-171.2152.319.700000114.1
878K36.9Very low34.8Very low196 Ų196131 Ų13185%0.85272%0.718SS**  trans72.2139.9134.5-70.1173-176.7-179.40119.9
879N34.3Very low34.9Very low150 Ų150132.8 Ų132.880%0.80272%0.72SS**  cis-176.4152.9-6.8-145.520.7000108.5
880P37.2Very low35.1Very low95 Ų95137.9 Ų137.962%0.61773%0.729SS**  trans-108.5167.7170.637.3-27.5000114
881N34.9Very low34.8Very low140 Ų140140.4 Ų140.475%0.74973%0.734SS**  trans152.7150.9139.5-81.3-18.7000117.7
882H35.6Very low35Very low163 Ų163140 Ų14076%0.75574%0.737SS**  trans83.5138.3147.3-88.3-57.1000119.3
883I37.3Very low34.8Very low138 Ų138140.4 Ų140.471%0.70874%0.74SS**  cis-173.4146.142.3-111.6150.8000112.7
884N35.5Very low34.9Very low122 Ų122139.1 Ų139.165%0.65274%0.741SS**  trans70.8116.4141.9-71.321000128.6
885D37.3Very low34.8Very low121 Ų121136.6 Ų136.665%0.64774%0.737SS**  79.5135.2104.4-58.9-15000126.7
886N35.4Very low34.7Very low129 Ų129139.8 Ų139.869%0.6975%0.748SS**  trans96.8111.3142.9-71.6-9.7000119.8
887E37Very low34.7Very low131 Ų131137.5 Ų137.561%0.61274%0.744SS**  106.212369.7-128.7176.4-171.400108
888Y36.1Very low34.7Very low198 Ų198138.3 Ų138.378%0.77675%0.745SS**  -168.8154.962.8-98.7-88.9000112.8
889K34.5Very low34.5Very low185 Ų185136 Ų13680%0.80474%0.742SS**  trans-79.1161.5174.5-67.1168.6170.5172.90113.4
890E35.5Very low34.6Very low190 Ų190133.8 Ų133.889%0.88875%0.745SS**  175.5146.9101.8-96.8-174.8169.700114.9
891N30.7Very low34.4Very low155 Ų155137.6 Ų137.683%0.82975%0.754SS**  trans-79.4169.3-177.1-67.2-42.2000113
892V35.3Very low34.4Very low135 Ų135137.9 Ų137.982%0.81876%0.756SS**  166.2139113.7163.50000112
893T31.1Very low34.3Very low137 Ų137134.8 Ų134.884%0.8475%0.753SS**  trans-55.2160.817950.10000119
894G33.3Very low34Very low66 Ų66133.3 Ų133.368%0.6875%0.754SS**  trans149.291.1142.600000119.6
895S31.6Very low34Very low108 Ų108133.4 Ų133.476%0.75576%0.759SS**  trans35.5133.4130.955.10000124.9
896N31.5Very low33.6Very low148 Ų148132.4 Ų132.479%0.79176%0.761SS**  trans91.8125.8131.9-72.3-4.5000123.6
897S32.5Very low33.5Very low110 Ų110132 Ų13277%0.76977%0.769SS**  trans61.5144.3136.565.10000119.1
898S34.4Very low33.1Very low88 Ų88131.2 Ų131.262%0.61578%0.778SS**  cis-174.2171.23.349.40000108.7
899D34.2Very low33Very low148 Ų148130 Ų13079%0.79178%0.783SS**  trans68.2120.1149.2-52.2-39.6000120.9
900A35.6Very low32.7Very low103 Ų103129.6 Ų129.685%0.85179%0.786SS**  171.6152.690.400000112.9
901Q33.7Very low32.5Very low175 Ų175125.1 Ų125.182%0.81878%0.776SS**  trans-85.6177.4-162.8-58176.3-50.400116.3
902N34.7Very low32.4Very low145 Ų145124.9 Ų124.978%0.77578%0.775SS**  trans112.2136.9149.2-65.7-21.1000114.7
903S33.6Very low32.3Very low99 Ų99125.8 Ų125.869%0.69277%0.773SS**  cis-177.8138.9-2.646.70000108.2
904S31Very low32.1Very low106 Ų106124.5 Ų124.574%0.74177%0.77SS**  trans14.6141.8146.760.10000122.1
905V34.5Very low32.2Very low124 Ų124129.5 Ų129.575%0.75278%0.775SS**  170.4114.5107.6162.40000111.3
906S30.2Very low32Very low100 Ų100133.2 Ų133.270%0.69978%0.778SS**  trans37130.1132.4-36.80000122.9
907S33.3Very low32.1Very low121 Ų121134.5 Ų134.585%0.84678%0.783SS**  149.4135.910057.80000114.6
908S28.5Very low31.9Very low115 Ų115138 Ų13880%0.80478%0.784SS**  trans-60.5143.4172.2-52.10000114
909I34Very low31.7Very low172 Ų172144.6 Ų144.688%0.88280%0.796SS**  trans-144.8130.9144.1-63.1-171.5000110
910M28Very low31.6Very low176 Ų176144.5 Ų144.587%0.86780%0.795SS**  trans-85.8171.1180-145.8176177.700111.4
911S31.7Very low31.4Very low97 Ų97146.9 Ų146.968%0.67879%0.788SS**  trans98.8115.5155.276.20000119.9
912D28.3Very low31.5Very low150 Ų150146.7 Ų146.780%0.80279%0.791SS**  trans55.6127.2130.8-58.2-29.3000120.7
913I33.3Very low31.3Very low153 Ų153145.6 Ų145.679%0.78579%0.786SS**  -163.8113118.9-88.3143.2000108.9
914S26.3Very low31.7Very low111 Ų111145.9 Ų145.978%0.77679%0.785SS**  trans-97126.4160.6-171.30000107.5
915H35.3Very low32.1Very low170 Ų170146.4 Ų146.479%0.78779%0.786SS**  trans-143115.5164.6-89.7-58.5000113.5
916K28.3Very low32Very low187 Ų187145.9 Ų145.981%0.81378%0.783SS**  trans-47.2145.5162.1-68.8166.9172.6169.30113.4
917I33.1Very low32.3Very low175 Ų175149.3 Ų149.390%0.89779%0.793SS**  trans-124.1122146.2-64-179.9000108.7
918K27.6Very low32.3Very low184 Ų184150.1 Ų150.180%0.879%0.788SS**  trans-128.7154.7175.8-122.5-172.7-175.1-174.30106.2
919R29.9Very low32.6Very low225 Ų225154 Ų15485%0.84979%0.793SS**  trans96.2138.2165.1-62.6-178.2177.2135.5-2.5115.4
920N33.4Very low32.4Very low147 Ų147152.7 Ų152.779%0.78679%0.788SS**  cis-149.5138.922.9-68.4-64.3000108
921H30.4Very low32.6Very low152 Ų152150.4 Ų150.470%0.70479%0.788SS**  57.2100.568.7-142.8-13.4000115.9D923H921-D923 IonicContact CE1-OD2 3.24Å; H921-D923 PolarHBondContact CE1-OD2 3.27Å; H921-D923 VanDerWaalsContact CE1-OD2 3.24Å; H921-D923 IonicContact ND1-OD2 3.61Å
922I35.2Very low32.4Very low171 Ų171153 Ų15388%0.87779%0.794SS**  trans-157.5121.4143.6-57.8-169.2000108.4
923D31.4Very low32.5Very low123 Ų123153.1 Ų153.166%0.65879%0.794SS**  trans-91.9-165.8176.5-59.4-61.3000112.9H921H921-D923 IonicContact CE1-OD2 3.24Å; H921-D923 PolarHBondContact CE1-OD2 3.27Å; H921-D923 VanDerWaalsContact CE1-OD2 3.24Å; H921-D923 IonicContact ND1-OD2 3.61Å
924P42.8Very low32.2Very low104 Ų104151.8 Ų151.868%0.67579%0.793SS**  -121.8-162.5-109.437.4-12.9000112.7
925P38Very low32.5Very low118 Ų118154.6 Ų154.677%0.76679%0.794SS**  -145.613988.132.8-12.9000114.3
926V33Very low32.2Very low113 Ų113151.9 Ų151.969%0.68579%0.789SS**  48.9110.996.2-171.50000115.4
927D36.7Very low32.2Very low171 Ų171152 Ų15291%0.91479%0.79SS**  trans-150.2133131.3-91.2-32.9000111.1
928N32.1Very low32Very low139 Ų139154.3 Ų154.374%0.74379%0.787SS**  trans-82.9150.9-173.8-117.4-20.6000110.8
929E36.1Very low32.1Very low195 Ų195151.8 Ų151.891%0.91178%0.781SS**  -171.9114.7120.2-103-179.8-173.700112.3
930N30.4Very low32.3Very low145 Ų145150 Ų15078%0.77578%0.78SS**  trans-74.3153.1162.7-89-34.2000110.5
931C31.6Very low32.1Very low129 Ų129152.6 Ų152.687%0.87278%0.784SS**  -172.8123.3122.2-98.20000113.9
932N27.4Very low32.2Very low150 Ų150150.1 Ų150.180%0.80278%0.784SS**  trans-55.1153.9152.6-66.6-52.4000111.6
933L30.5Very low31.9Very low154 Ų154150.6 Ų150.681%0.80678%0.78SS**  -171.3132.2128.2-128.175.8000115.1
934V27.2Very low31.9Very low125 Ų125152.2 Ų152.276%0.75878%0.783SS**  trans-65.1142.8156169.90000111.1
935Q32.8Very low31.2Very low170 Ų170151.8 Ų151.879%0.79478%0.783SS**  trans177.7110.4151.5-101168.132.700110.3
936V28.5Very low30.8Very low113 Ų113151 Ų15169%0.68578%0.78SS**  65.5110.175.1-1760000116.4
937K28.8Very low30.6Very low190 Ų190152.2 Ų152.283%0.82678%0.783SS**  trans46.9128.2145.9-63.8173173.2170.20120.3
938R28.6Very low30.3Very low222 Ų222152.5 Ų152.584%0.83878%0.776SS**  161127.8101.3-101-162.8166.9136.4-4.5115.2
939L30Very low30Very low131 Ų131150.7 Ų150.769%0.68677%0.774SS**  69.6120.2128.4-105.896.1000122.5
940K34.1Very low29.7Very low187 Ų187146.3 Ų146.381%0.81377%0.765SS**  153.7111111.6-89.5168.4179.9175.10109.3
941K28.9Very low29.4Very low202 Ų202145 Ų14588%0.87877%0.767SS**  62.1101.370.8-155178.4-163.91740114
942S31.7Very low29.3Very low101 Ų101148 Ų14871%0.70677%0.768SS**  178.4129.8115.869.90000114.4
943K30.1Very low29.2Very low181 Ų181149.2 Ų149.279%0.78777%0.77SS**  57.6140.9126.7-67.4-178.8173.7-176.70118.1
944Q30.7Very low29.1Very low156 Ų156151.7 Ų151.773%0.72977%0.774SS**  cis-17314121.3-130165.6-34.200109
945S27.5Very low29Very low95 Ų95154 Ų15466%0.66478%0.777SS**  trans22.6131.7140.2670000120.1
946S31Very low28.9Very low102 Ų102153.6 Ų153.671%0.71378%0.779SS**  169.2127.183.562.10000113.9
947N27.6Very low28.8Very low139 Ų139155.8 Ų155.874%0.74378%0.781SS**  62.8122.9127.5-74.9-19.4000122.4
948K29.8Very low28.8Very low177 Ų177154 Ų15477%0.7777%0.774SS**  103.9105.1116.4-86.1179.3180-175.70119
949S26.7Very low28.8Very low100 Ų100150.1 Ų150.170%0.69977%0.765SS**  86.9148.8109.572.30000120.9
950S29.5Very low28.6Very low104 Ų104149.1 Ų149.173%0.72776%0.764SS**  trans75.3101.7168.748.80000115.3
951S24.9Very low28.4Very low117 Ų117147.3 Ų147.382%0.81877%0.769SS**  54.8100.563.2-53.10000113
952Q30Very low28.3Very low191 Ų191143.6 Ų143.689%0.89376%0.757SS**  trans-160.8122.3135.3-112169.73.200111
953E24.7Very low28.3Very low177 Ų177144.7 Ų144.783%0.82777%0.765SS**  trans-51.5148167.7-61.8161.9129.100111.8
954F27.9Very low28.2Very low205 Ų205143.7 Ų143.790%0.89976%0.763SS**  trans-157.6108.8134.8-98.8-71.2000110.8
955H25.7Very low28.2Very low175 Ų175144.6 Ų144.681%0.8177%0.773SS**  trans-66.3138160-111.7-70.4000110.5
956L30.4Very low28.2Very low160 Ų160144.7 Ų144.784%0.83877%0.773SS**  trans174.698.2141.8-99.7140.2000108.8
957H27.3Very low28.2Very low160 Ų160151 Ų15174%0.74178%0.783SS**  62.1119.294.1-108.531.8000117
958K27.6Very low28.2Very low153 Ų153149.8 Ų149.867%0.66579%0.785SS**  trans109.9124.6138-82.7-175.9163.4-134.10120.8
959E28Very low28.4Very low140 Ų140147.4 Ų147.465%0.65478%0.781SS**  trans81.4104.1134.9-72.6163.7-174.700117.9
960T26.2Very low28.8Very low110 Ų110151.5 Ų151.568%0.67579%0.787SS**  83.2109.784.8-54.20000112.1I962T960-I962 HydrophobicContact CG2-CG1 4.48Å
961V30.4Very low28.7Very low149 Ų149154 Ų15490%0.90379%0.791SS**  trans-143.1128145-178.70000109.9
962I27.3Very low29.2Very low124 Ų124154.2 Ų154.264%0.63679%0.789SS**  trans-79.3150179.7-68.2157.1000110.4T960 E964T960-I962 HydrophobicContact CG2-CG1 4.48Å; I962-E964 HydrophobicContact CG2-CG 3.86Å
963S30.6Very low29.1Very low124 Ų124153.4 Ų153.487%0.86779%0.785SS**  trans-133.898.4153.154.80000110
964E28.1Very low29.5Very low159 Ų159153.8 Ų153.874%0.74379%0.787SS**  trans-76.4148.3164.9-74.4177.8158.900110.3I962I962-E964 HydrophobicContact CG2-CG 3.86Å
965N30.6Very low29.6Very low176 Ų176150 Ų15094%0.94178%0.781SS**  trans-134.9110.4147.4-104.3-12.4000108
966S28.1Very low29.7Very low96 Ų96149.1 Ų149.167%0.67178%0.782SS**  trans-98.5145.5171.852.10000109.8
967Y31Very low29.7Very low234 Ų234149.3 Ų149.392%0.91878%0.784SS**  trans-136.8120.1156.7-111.2-87.9000108.1
968S28.7Very low29.7Very low114 Ų114147.9 Ų147.980%0.79779%0.787SS**  trans-132128.6165.7-86.40000107
969D32.8Very low29.8Very low128 Ų128150.2 Ų150.268%0.68480%0.797SS**  trans-150.8107.3158.4-115.2-23.9000111
970K34.5Very low29.7Very low186 Ų186148.7 Ų148.781%0.80980%0.802SS**  trans58.3116.2136.1-66171.4-173.1157.20122.2
971L27.7Very low29.8Very low155 Ų155153 Ų15381%0.81281%0.812SS**  trans-59.3164.8150.5-93.3112000113.5
972P35.9Very low29.6Very low122 Ų122153.5 Ų153.579%0.79280%0.804SS**  -122140.712934.5-24.4000113.1
973H28.7Very low29.5Very low174 Ų174154 Ų15481%0.80681%0.812SS**  trans-63.4141.9168.3-84.3-85.1000112.3
974E31.6Very low29.4Very low185 Ų185155.2 Ų155.286%0.86481%0.807SS**  trans-151.1105.9142.4-112.5175.1-164.200111.8
975T31.6Very low29.3Very low125 Ų125156.3 Ų156.377%0.76781%0.813SS**  trans42.8109.7141.851.80000122.6
976N27.3Very low29.2Very low158 Ų158152.5 Ų152.585%0.84581%0.806SS**  trans-8.3127.6143.4-66.9-20.4000118.2
977N30Very low29.2Very low163 Ų163154.9 Ų154.987%0.87281%0.811SS**  -151.8110.2125-109.9-16.6000111.2
978T26.4Very low29Very low130 Ų130149.4 Ų149.480%0.79880%0.804SS**  trans-53128.8165.429.20000112.6
979K30.7Very low29Very low202 Ų202152 Ų15288%0.87881%0.808SS**  trans-141.1115.7135.8-90.5-170.5178.9-179.60109.3
980S25.3Very low28.7Very low108 Ų108150 Ų15076%0.75580%0.804SS**  trans-32.6134.7164.843.90000115
981F27.9Very low28.4Very low202 Ų202147 Ų14789%0.88680%0.804SS**  trans-128.8137.7142.9-133-93.1000108.7
982E27.6Very low28.4Very low158 Ų158146.9 Ų146.974%0.73880%0.802SS**  trans-67.9141.2-154.1-76.2159.6137.800114.6I984E982-I984 PolarHBondContact O-N 3.06Å
983V25Very low28Very low134 Ų134143.4 Ų143.481%0.81279%0.789SS**  trans-65.1112.8155.5174.70000106.6E985V983-E985 HydrophobicContact CG1-CG 4.48Å
984I29.1Very low27.9Very low150 Ų150143.7 Ų143.777%0.76980%0.796SS**  trans-100.7108.2157.3-63.4178.5000105.6E982 A986E982-I984 PolarHBondContact O-N 3.06Å; I984-A986 PolarHBondContact O-N 3.21Å
985E24.8Very low27.8Very low182 Ų182139.6 Ų139.685%0.8578%0.783SS**  trans-51115.9162-72.6171.5144.100108.2V983V983-E985 HydrophobicContact CG1-CG 4.48Å
986A29.4Very low27.6Very low96 Ų96140.3 Ų140.379%0.79378%0.782SS**  trans-108.2116.7162.400000106.8I984I984-A986 PolarHBondContact O-N 3.21Å
987D27.1Very low27.7Very low146 Ų146142.7 Ų142.778%0.78178%0.781SS**  trans-43.4151.4-179-88.3-47.4000114.3L989D987-L989 VanDerWaalsContact C-N 3.33Å; D987-L989 PolarHBondContact O-N 3.47Å
988P26.3Very low27.9Very low120 Ų120139 Ų13978%0.77977%0.768SS**  trans-71.692.9170.132.2-29.6000108S990P988-S990 VanDerWaalsContact C-N 3.27Å; P988-S990 PolarHBondContact O-N 3.33Å
989L28.6Very low28.2Very low168 Ų168140.5 Ų140.588%0.8877%0.771SS**  trans-68.398.9161.1-77.8170.3000107.2D987D987-L989 VanDerWaalsContact C-N 3.33Å; D987-L989 PolarHBondContact O-N 3.47Å
990S27.2Very low28.4Very low86 Ų86140 Ų14060%0.60177%0.772SS**  trans-27.3137.5170.938.50000114.2P988 I992P988-S990 VanDerWaalsContact C-N 3.27Å; P988-S990 PolarHBondContact O-N 3.33Å; S990-I992 PolarHBondContact O-N 2.93Å; S990-I992 VanDerWaalsContact O-N 3.12Å
991P28.7Very low28.9Very low124 Ų124144 Ų14481%0.80578%0.778SS**  trans-61.4120.8161.528-28.5000106.3G993P991-G993 VanDerWaalsContact C-N 3.27Å; P991-G993 PolarHBondContact O-N 3.02Å
992I27.2Very low29.3Very low151 Ų151140.2 Ų140.277%0.77478%0.777SS**  trans-55.2101.2168.2-74.1164.2000105.9S990S990-I992 PolarHBondContact O-N 2.93Å; S990-I992 VanDerWaalsContact O-N 3.12Å
993G26.6Very low29.6Very low50 Ų50141.8 Ų141.852%0.51578%0.784SS.*  trans-68.5135176.600000108.3P991 V995P991-G993 VanDerWaalsContact C-N 3.27Å; P991-G993 PolarHBondContact O-N 3.02Å; G993-V995 PolarHBondContact O-N 3.15Å
994L27.3Very low30.1Very low180 Ų180144.6 Ų144.694%0.94279%0.789SS**  trans-51.4106.2154.1-96.1127.4000107.6D996L994-D996 PolarHBondContact O-N 2.95Å
995V28.8Very low30.4Very low99 Ų99146.9 Ų146.960%0.680%0.796SS**  trans-71.1111.8170.2-177.80000106.6G993 Y997G993-V995 PolarHBondContact O-N 3.15Å; V995-Y997 HydrophobicContact CB-CD2 4.1Å; V995-Y997 HydrophobicContact CB-CE2 3.81Å; V995-Y997 HydrophobicContact CG1-CD2 3.65Å; V995-Y997 HydrophobicContact CG1-CE1 4.43Å; V995-Y997 HydrophobicContact CG1-CE2 3.37Å; V995-Y997 HydrophobicContact CG1-CG 4.3Å; V995-Y997 PolarHBondContact O-N 3.36Å
996D29.2Very low30.8Very low140 Ų140146.7 Ų146.775%0.74980%0.795SS**  trans-71.897.5170-155.7-6.1000107.3L994 S998L994-D996 PolarHBondContact O-N 2.95Å; D996-S998 PolarHBondContact O-N 3.04Å; D996-S998 PolarHBondContact OD1-OG 3.14Å
997Y28.2Very low31.1Very low208 Ų208150.8 Ų150.882%0.81680%0.798SS**  trans-87.497.3169.7-79.4-83.1000108V995V995-Y997 HydrophobicContact CB-CD2 4.1Å; V995-Y997 HydrophobicContact CB-CE2 3.81Å; V995-Y997 HydrophobicContact CG1-CD2 3.65Å; V995-Y997 HydrophobicContact CG1-CE1 4.43Å; V995-Y997 HydrophobicContact CG1-CE2 3.37Å; V995-Y997 HydrophobicContact CG1-CG 4.3Å; V995-Y997 PolarHBondContact O-N 3.36Å
998S34.3Very low31.4Very low85 Ų85152.6 Ų152.659%0.59480%0.804SS**  trans-132.9103.3165.6-55.30000109D996D996-S998 PolarHBondContact O-N 3.04Å; D996-S998 PolarHBondContact OD1-OG 3.14Å
999D33.9Very low31.9Very low161 Ų161155.7 Ų155.786%0.86181%0.805SS**  trans60.890.7144.9-50.4-23.2000119.5
1000E34.4Very low32.2Very low193 Ų193153.2 Ų153.290%0.90279%0.793SS**  trans-110.9147.4140.1-72.9-166170.100108.5
1001E35.4Very low32.7Very low190 Ų190157.1 Ų157.189%0.88880%0.799SS**  trans93.185.5-179.3-55.6-171.1166.600117
1002S35.2Very low33.1Very low123 Ų123157.6 Ų157.686%0.8679%0.794SS**  170.480.5117.2420000112.1
1003E34.5Very low33.6Very low192 Ų192155.9 Ų155.990%0.89779%0.787SS**  trans-110107.7151.8-74.7-172.3172.800106.8
1004E36.7Very low34.1Very low193 Ų193161.5 Ų161.590%0.90280%0.799SS**  trans17382.3148.3-97.3175.9-154.500110.1
1005E34.3Very low34.5Very low197 Ų197157.4 Ų157.492%0.92179%0.786SS**  trans-160.170.7154.8-121.8-177-158.900111.4
1006E34.5Very low34.8Very low178 Ų178160.5 Ų160.583%0.83279%0.794SS**  trans-158.496.6159.2-119.1-175.6-162.500110.5
1007Q34Very low35.2Very low182 Ų182162.5 Ų162.585%0.8580%0.796SS**  163.797.5128.5-86.716742.200111.6K1009Q1007-K1009 PolarHBondContact O-N 2.68Å
1008M34.4Very low35.6Very low185 Ų185159.3 Ų159.391%0.91179%0.788SS**  trans-55.6116.6143.8-75.5-175.9-169.900109.2
1009K36.1Very low35.7Very low185 Ų185162 Ų16280%0.80479%0.79SS**  172.4133.3122.5-97.1165.5179.91720112.9Q1007Q1007-K1009 PolarHBondContact O-N 2.68Å
1010D36.3Very low35.8Very low116 Ų116160 Ų16062%0.6278%0.779SS**  trans83.193150.9-70-46.1000120.3
1011K37.7Very low35.9Very low168 Ų168157.9 Ų157.973%0.7377%0.769SS**  71.6129.5114.7-74.6179.7-171.4113.40121.4
1012N35.8Very low35.7Very low133 Ų133154.4 Ų154.471%0.71176%0.761SS**  trans74.5135146.5-67.517.2000115.8
1013D37.7Very low35.7Very low115 Ų115153 Ų15362%0.61575%0.751SS**  cis-168.4145.713-109.9-40.3000108.6
1014H36.8Very low35.8Very low169 Ų169150.5 Ų150.578%0.78274%0.744SS**  trans64.1143.1144.8-71.236.9000119.9
1015S35.9Very low35.7Very low93 Ų93146.8 Ų146.865%0.6573%0.73SS**  cis-179.9134.9-3.149.90000109.7
1016Q36.1Very low35.8Very low165 Ų165143.8 Ų143.877%0.77172%0.72SS**  trans53.9129.4138.8-61.9-171.1-13.900124.2
1017F36.6Very low36Very low181 Ų181140.8 Ų140.879%0.79471%0.714SS**  157.196.1113.2-101.8-86.3000110.1
1018E36.6Very low36.1Very low141 Ų141139.8 Ų139.866%0.65971%0.714SS**  58.5118.380.5-95.9-157.3153.800119.4
1019K37.1Very low36.2Very low143 Ų143134.9 Ų134.962%0.62271%0.711SS**  105.9123.8124.6-85.8176.4175.5139.30122.8
1020N35.9Very low36.1Very low118 Ų118130.7 Ų130.763%0.63171%0.705SS**  77.5147.2128.8-68.1-5.9000118.8
1021Q35.5Very low36Very low149 Ų149133 Ų13370%0.69671%0.712SS**  cis-175.8136.43.6-117.6167.78.300109.5
1022T33Very low36Very low117 Ų117133.7 Ų133.772%0.71872%0.717SS**  trans46.6134.1130.360.90000124.7
1023S33.7Very low35.7Very low94 Ų94134.6 Ų134.666%0.65772%0.722SS**  121.6134.2113.867.80000120.6
1024N36.4Very low35.5Very low139 Ų139137 Ų13774%0.74373%0.733SS**  trans77.5142.8142.9-63.6-1.7000118.1
1025N35.7Very low35.1Very low115 Ų115133 Ų13362%0.61572%0.724SS**  cis177.3159.710.6-117.723.1000109.7
1026D36.4Very low34.8Very low134 Ų134135 Ų13572%0.71773%0.728SS**  trans79.2143.7139.1-64.7-18.9000119.5
1027V38Very low34.4Very low114 Ų114132.9 Ų132.969%0.69173%0.726SS**  cis-173.915116.5128.70000112
1028D37Very low34Very low161 Ų161128.9 Ų128.986%0.86172%0.721SS**  trans44141.5150.7-68.6-27.6000126.8
1029G35.5Very low33.6Very low82 Ų82127.2 Ų127.285%0.84573%0.725SS**  trans166.3114.5146.400000115.7
1030S34.5Very low33.1Very low98 Ų98124.4 Ų124.469%0.68572%0.723SS**  trans-107162.4-15859.60000117.9
1031H35.2Very low32.8Very low164 Ų164127.1 Ų127.176%0.75973%0.732SS**  trans69.8116.4147.6-67.9-62.8000121.8
1032H36.7Very low32.6Very low182 Ų182126.2 Ų126.284%0.84374%0.736SS**  176.3131.995.9-103.5-50.1000113.1
1033N28.8Very low32.3Very low152 Ų152126 Ų12681%0.81373%0.734SS**  trans-63.4147.3161.9-74.3-24.9000111.3
1034I33.7Very low32.1Very low165 Ų165128 Ų12885%0.84674%0.742SS**  -172144.1127.2-91.1151.3000108.8
1035S28.4Very low31.6Very low85 Ų85128.2 Ų128.259%0.59474%0.744SS**  trans-63.1169.7-174.650.80000116.3
1036D29.3Very low31Very low137 Ų137129.5 Ų129.573%0.73376%0.756SS**  trans108.2108.7141.7-65.4-39.2000119.5
1037V29Very low30.6Very low120 Ų120131 Ų13173%0.72777%0.769SS**  96.4117.5117.1172.40000118.4
1038S27.3Very low30.2Very low97 Ų97131.9 Ų131.968%0.67877%0.773SS**  trans88117.2139.3-85.10000121.4
1039S27.8Very low29.8Very low106 Ų106130.4 Ų130.474%0.74177%0.769SS**  76.7120.4121.8-51.10000117.1
1040S28.2Very low29.5Very low83 Ų83133.1 Ų133.158%0.5877%0.765SS**  157.9136.175.6-155.90000110.3
1041Q28.9Very low29.2Very low175 Ų175135.1 Ų135.182%0.81877%0.769SS**  trans65.6139.7144.7-69.3159.2-28.500117
1042V31.9Very low28.8Very low130 Ų130133.3 Ų133.379%0.78877%0.77SS**  cis-158.9136.748.9169.70000109.6
1043V25.9Very low28.3Very low113 Ų113130.1 Ų130.169%0.68577%0.765SS**  trans-67.2141.1166.3170.80000111
1044T29.2Very low28.3Very low135 Ų135128.5 Ų128.583%0.82876%0.762SS**  trans-139.6125.615035.20000111.3
1045D25.5Very low27.9Very low145 Ų145125.7 Ų125.778%0.77576%0.755SS**  trans-64.8142.2-171.9-57.8-66000115.1
1046V24.1Very low27.8Very low142 Ų142129.1 Ų129.186%0.86177%0.768SS**  trans-140.4101.9155.3-176.80000108.1
1047V27Very low27.7Very low166 Ų166128.4 Ų128.4100%1.00677%0.772SS**  trans-130.20159.31740000109.2R834R834-V1047 PolarHBondContact NH1-OXT 2.73Å; R834-V1047 PolarHBondContact NH2-OXT 3.25Å; R834-V1047 VanDerWaalsContact NH2-OXT 3.15Å

Retrieved 1,047 of 1,047 residues in 760.8 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).