A0A093H549_STRCA Loading...

Delta(14)-sterol reductase LBR

AlphaFold DB , UniProt , Accession A0A093H549, Species STRCA (Struthio camelus australis), Gene n/a, Length 607 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
1M40.8Very low72.2Confident228 Ų22895.4 Ų95.4100%1.12350%0.502SS*.  0141.80-67.7172.1173.100107.8
2P49.2Very low73.7Confident75 Ų7587.4 Ų87.449%0.48746%0.46SS..  trans-65.8140.4170.928.7-33.1000110R4 D32P2-R4 VanDerWaalsContact C-N 3.34Å; P2-R4 PolarHBondContact O-N 3.3Å; P2-D32 WeakPolarHBondContact CG-OD1 3.45Å
3N58.2Low74.9Confident158 Ų15882.5 Ų82.585%0.84543%0.434SS*.  trans-79.781.3179.7-86.8-11.8000110.6R5N3-R5 PolarHBondContact O-N 3.47Å
4R73.2Confident75.9Confident88 Ų8876.6 Ų76.633%0.33240%0.403SS..  trans-59.5127.1168.7-176.9178173.2163.37.2109.8P2 F6 D8 Y30 Y37P2-R4 VanDerWaalsContact C-N 3.34Å; P2-R4 PolarHBondContact O-N 3.3Å; R4-F6 PolarHBondContact NE-O 3.17Å; R4-F6 PolarHBondContact NH2-O 2.99Å; R4-D8 IonicContact CZ-OD1 3.44Å; R4-D8 IonicContact CZ-OD2 2.7Å; R4-D8 IonicContact NH1-OD1 2.7Å; R4-D8 PolarHBondContact NH1-OD1 3.09Å; R4-D8 IonicContact NH1-OD2 3.31Å; R4-D8 PolarHBondContact NH1-OD2 3.07Å; R4-D8 VanDerWaalsContact NH2-N 3.18Å; R4-D8 IonicContact NH2-OD1 3.6Å; R4-D8 PolarHBondContact NH2-OD1 3.06Å; R4-D8 IonicContact NH2-OD2 3.5Å; R4-D8 PolarHBondContact NH2-OD2 3.02Å; R4-Y30 HydrophobicContact CG-CD1 4.31Å; R4-Y30 HydrophobicContact CG-CG 4.45Å; R4-Y37 HydrophobicContact CG-CE1 4.35Å
5R77.3Confident76.7Confident170 Ų17077.3 Ų77.364%0.64240%0.398SS*.  trans-100.7-24.6-167.1-168.3173.9-174.2172.92.9115.1N3 Y37 E51N3-R5 PolarHBondContact O-N 3.47Å; R5-Y37 PolarHBondContact N-OH 3.21Å; R5-E51 WeakPolarHBondContact CD-OE1 3.41Å; R5-E51 IonicContact CZ-OE1 3.63Å; R5-E51 IonicContact NE-OE1 3.4Å; R5-E51 IonicContact NH1-OE1 2.72Å; R5-E51 PolarHBondContact NH1-OE1 3.47Å
6F81.8Confident77.2Confident15 Ų1578.4 Ų78.47%0.06640%0.395CS..SBendtrans-130.8135.9179.1-56-72.2000110R4 E10 V12 V27 Y37 E51 I54R4-F6 PolarHBondContact NE-O 3.17Å; R4-F6 PolarHBondContact NH2-O 2.99Å; F6-E10 VanDerWaalsContact CA-OE2 3.28Å; F6-E10 WeakPolarHBondContact CA-OE2 3.3Å; F6-V12 HydrophobicContact CB-CG1 4.31Å; F6-V12 HydrophobicContact CD1-CG1 3.67Å; F6-V12 HydrophobicContact CE1-CG1 4.21Å; F6-V12 HydrophobicContact CG-CG1 4.07Å; F6-V27 HydrophobicContact CB-CG2 4.22Å; F6-Y37 HydrophobicContact CB-CE1 4.05Å; F6-Y37 HydrophobicContact CD2-CE1 4.25Å; F6-E51 HydrophobicContact CE2-CG 4.26Å; F6-I54 HydrophobicContact CD2-CG2 3.77Å; F6-I54 HydrophobicContact CE2-CB 4.12Å; F6-I54 HydrophobicContact CE2-CG2 3.52Å; F6-I54 HydrophobicContact CG-CG2 4.38Å; F6-I54 HydrophobicContact CZ-CG2 3.93Å
7A81.9Confident77.3Confident54 Ų5478.1 Ų78.145%0.44640%0.4SS..  trans-83.6160.1-174.100000112.8E10 V27A7-E10 HydrophobicContact CB-CB 4.42Å; A7-E10 PolarHBondContact N-OE2 2.88Å; A7-E10 VanDerWaalsContact O-CB 3.23Å; A7-E10 WeakPolarHBondContact O-CB 3.1Å; A7-E10 PolarHBondContact O-N 3.47Å; A7-V27 WeakPolarHBondContact O-CB 3.41Å
8D81.4Confident77Confident93 Ų9379 Ų7950%0.49743%0.432SS..THydrogen-bonded Turntrans-65.3137.5170.9-68-48.9000110.3R4 E10 G29R4-D8 IonicContact CZ-OD1 3.44Å; R4-D8 IonicContact CZ-OD2 2.7Å; R4-D8 IonicContact NH1-OD1 2.7Å; R4-D8 PolarHBondContact NH1-OD1 3.09Å; R4-D8 IonicContact NH1-OD2 3.31Å; R4-D8 PolarHBondContact NH1-OD2 3.07Å; R4-D8 VanDerWaalsContact NH2-N 3.18Å; R4-D8 IonicContact NH2-OD1 3.6Å; R4-D8 PolarHBondContact NH2-OD1 3.06Å; R4-D8 IonicContact NH2-OD2 3.5Å; R4-D8 PolarHBondContact NH2-OD2 3.02Å; D8-E10 PolarHBondContact O-N 3.47Å; D8-G29 VanDerWaalsContact OD1-CA 3.29Å; D8-G29 WeakPolarHBondContact OD1-CA 3.46Å; D8-G29 PolarHBondContact OD1-N 3.14Å
9G78.4Confident77Confident38 Ų3876.5 Ų76.539%0.39242%0.421SS..THydrogen-bonded Turntrans79.2-7.3-17300000115.1Q26 V27G9-Q26 WeakPolarHBondContact O-CG 3.46Å; G9-Q26 PolarHBondContact O-NE2 3.47Å; G9-V27 WeakPolarHBondContact CA-O 3.41Å; G9-V27 PolarHBondContact N-O 3.42Å
10E85.1Confident77.2Confident69 Ų6978.8 Ų78.832%0.32244%0.437SS..  trans-68135.7178.4-166.8-176.7161.100111.4F6 A7 D8 V12 Q26 V27F6-E10 VanDerWaalsContact CA-OE2 3.28Å; F6-E10 WeakPolarHBondContact CA-OE2 3.3Å; A7-E10 HydrophobicContact CB-CB 4.42Å; A7-E10 PolarHBondContact N-OE2 2.88Å; A7-E10 VanDerWaalsContact O-CB 3.23Å; A7-E10 WeakPolarHBondContact O-CB 3.1Å; A7-E10 PolarHBondContact O-N 3.47Å; D8-E10 PolarHBondContact O-N 3.47Å; E10-V12 HydrophobicContact CB-CG1 4.45Å; E10-V12 HydrophobicContact CG-CG1 4Å; E10-Q26 WeakPolarHBondContact O-CA 3.44Å; E10-V27 PolarHBondContact O-N 2.96Å
11V86.9Confident77.4Confident61 Ų6179.8 Ų79.837%0.3744%0.441SS..EExtended strand (participates in β ladder)trans-94.7108.3177.9-1720000110.2E24 V25 Q26 Q57V11-E24 HydrophobicContact CG1-CB 4.42Å; V11-V25 CarbonylContact C-O 3.57Å; V11-V25 WeakPolarHBondContact CA-O 3.44Å; V11-Q26 HydrophobicContact CG2-CG 4.48Å; V11-Q57 WeakPolarHBondContact O-CG 3.42Å; V11-Q57 PolarHBondContact O-NE2 2.89Å
12V90.3Very high79.7Confident0 Ų071.1 Ų71.10%040%0.396CS..EExtended strand (participates in β ladder)trans-116.5172.8-174-60.90000111.1F6 E10 E24 V25 V27 I54F6-V12 HydrophobicContact CB-CG1 4.31Å; F6-V12 HydrophobicContact CD1-CG1 3.67Å; F6-V12 HydrophobicContact CE1-CG1 4.21Å; F6-V12 HydrophobicContact CG-CG1 4.07Å; E10-V12 HydrophobicContact CB-CG1 4.45Å; E10-V12 HydrophobicContact CG-CG1 4Å; V12-E24 WeakPolarHBondContact O-CA 3.26Å; V12-V25 HydrophobicContact CG2-CG2 3.64Å; V12-V25 PolarHBondContact N-O 3.46Å; V12-V25 PolarHBondContact O-N 2.98Å; V12-V27 HydrophobicContact CG1-CG2 4.28Å; V12-V27 HydrophobicContact CG2-CG2 3.79Å; V12-I54 HydrophobicContact CB-CG2 3.84Å; V12-I54 HydrophobicContact CG1-CG2 4.38Å; V12-I54 HydrophobicContact CG2-CG2 3.58Å
13M88.8Confident81.6Confident24 Ų2472.6 Ų72.612%0.11839%0.393CS..EExtended strand (participates in β ladder)trans-96.6105.2172.4-63.7-61.1-6100109.2Y22 Y23 E24 I54 R55 Q57 F60M13-Y22 HydrophobicContact CB-CD1 4.42Å; M13-Y23 CarbonylContact C-O 3.42Å; M13-Y23 WeakPolarHBondContact CA-O 3.39Å; M13-E24 HydrophobicContact SD-CB 4.4Å; M13-E24 HydrophobicContact SD-CG 3.54Å; M13-E24 VanDerWaalsContact SD-CG 3.54Å; M13-I54 WeakPolarHBondContact O-CA 3.24Å; M13-R55 HydrophobicContact CB-CB 4.4Å; M13-R55 WeakPolarHBondContact CB-O 3.19Å; M13-R55 PolarHBondContact N-O 2.79Å; M13-R55 PolarHBondContact O-N 2.86Å; M13-Q57 HydrophobicContact CG-CG 4.42Å; M13-F60 HydrophobicContact CB-CD2 4.07Å; M13-F60 HydrophobicContact CB-CE2 3.74Å; M13-F60 HydrophobicContact CG-CD2 3.69Å; M13-F60 HydrophobicContact CG-CE2 3.9Å
14G89.4Confident83Confident0 Ų069 Ų690%037%0.371CS..EExtended strand (participates in β ladder)trans-97.4136.4177.200000111.7Y22 Y23G14-Y22 CarbonylContact O-C 3.55Å; G14-Y22 WeakPolarHBondContact O-CA 3.41Å; G14-Y23 PolarHBondContact N-O 2.97Å; G14-Y23 PolarHBondContact O-N 3.2Å
15R87.3Confident83.8Confident86 Ų8664.9 Ų64.933%0.32536%0.355SS..EExtended strand (participates in β ladder)trans-77.7135.5176.7-170.5-167.6175.7-178.7-4111.2S19 L21 Y22 Y41 L49 D53R15-S19 PolarHBondContact NE-O 2.63Å; R15-S19 PolarHBondContact NH2-O 2.95Å; R15-L21 WeakPolarHBondContact CA-O 3.36Å; R15-Y22 HydrophobicContact CB-CD1 3.95Å; R15-Y22 HydrophobicContact CB-CE1 3.83Å; R15-Y22 HydrophobicContact CB-CE2 4.38Å; R15-Y22 HydrophobicContact CB-CG 4.3Å; R15-Y22 HydrophobicContact CG-CD2 4.45Å; R15-Y22 HydrophobicContact CG-CE2 4.21Å; R15-Y41 PolarHBondContact O-OH 3.47Å; R15-Y41 VanDerWaalsContact O-OH 3.14Å; R15-L49 WeakPolarHBondContact O-CD2 3.38Å; R15-D53 HydrophobicContact CB-CB 3.99Å; R15-D53 WeakPolarHBondContact CB-O 3.36Å; R15-D53 WeakPolarHBondContact CD-OD1 3.42Å; R15-D53 IonicContact CZ-OD1 2.74Å; R15-D53 PolarHBondContact N-O 2.91Å; R15-D53 IonicContact NE-OD1 3.74Å; R15-D53 IonicContact NH1-OD1 3.7Å; R15-D53 PolarHBondContact NH1-OD1 3.26Å
16W85.1Confident84.5Confident95 Ų9561.2 Ų61.236%0.3635%0.345SS..PPolyproline II helixtrans-74.8133.7175.3-170.7-88.3000111.8G18 S19 L21 Y23 Y41W16-G18 PolarHBondContact O-N 3.24Å; W16-S19 VanDerWaalsContact O-CB 3.31Å; W16-S19 WeakPolarHBondContact O-CB 3.31Å; W16-S19 PolarHBondContact O-N 3.08Å; W16-L21 PolarHBondContact N-O 3.42Å; W16-Y23 HydrophobicContact CB-CD2 3.99Å; W16-Y23 HydrophobicContact CB-CE2 3.75Å; W16-Y23 HydrophobicContact CG-CE2 4.43Å; W16-Y41 AromaticContact CE3-CD1 3.85Å; W16-Y41 HydrophobicContact CE3-CD1 3.85Å; W16-Y41 AromaticContact CE3-CE1 3.46Å; W16-Y41 HydrophobicContact CE3-CE1 3.46Å; W16-Y41 VanDerWaalsContact CE3-CE1 3.46Å; W16-Y41 AromaticContact CE3-CZ 3.82Å; W16-Y41 AromaticContact CZ3-CD1 3.77Å; W16-Y41 HydrophobicContact CZ3-CD1 3.77Å; W16-Y41 HydrophobicContact CZ3-CD2 4.39Å; W16-Y41 AromaticContact CZ3-CE1 3.84Å; W16-Y41 HydrophobicContact CZ3-CE1 3.84Å; W16-Y41 HydrophobicContact CZ3-CE2 4.46Å; W16-Y41 HydrophobicContact CZ3-CG 4.06Å
17P78.9Confident84.8Confident74 Ų7460.6 Ų60.648%0.48134%0.343SS..THydrogen-bonded Turntrans-54.3135.3178.2-27.835.7000113.4S19 L47P17-S19 PolarHBondContact O-N 3.16Å; P17-L47 HydrophobicContact CG-CD1 3.98Å
18G72Confident85Confident94 Ų9460.9 Ų60.997%0.96934%0.339SS*.THydrogen-bonded Turntrans71.22.5-176.100000115.4W16W16-G18 PolarHBondContact O-N 3.24Å
19S76.6Confident85.1Confident31 Ų3157.2 Ų57.222%0.21732%0.323CS..SBendtrans-112.9173.8180-166.40000112.6R15 W16 P17 L21R15-S19 PolarHBondContact NE-O 2.63Å; R15-S19 PolarHBondContact NH2-O 2.95Å; W16-S19 VanDerWaalsContact O-CB 3.31Å; W16-S19 WeakPolarHBondContact O-CB 3.31Å; W16-S19 PolarHBondContact O-N 3.08Å; P17-S19 PolarHBondContact O-N 3.16Å; S19-L21 PolarHBondContact OG-N 3.25Å; S19-L21 VanDerWaalsContact OG-N 3.13Å
20V80.9Confident85.5Confident122 Ų12257.1 Ų57.174%0.73931%0.311SS*.SBendtrans-105.9-7.4166.3-169.80000110.7
21L82.1Confident85.5Confident100 Ų10056.6 Ų56.652%0.52431%0.311SS..  trans-81.4144.2-178.2-59.2177.1000112.1R15 W16 S19 Y23R15-L21 WeakPolarHBondContact CA-O 3.36Å; W16-L21 PolarHBondContact N-O 3.42Å; S19-L21 PolarHBondContact OG-N 3.25Å; S19-L21 VanDerWaalsContact OG-N 3.13Å; L21-Y23 HydrophobicContact CB-CE2 3.78Å; L21-Y23 WeakPolarHBondContact CD1-OH 3.21Å
22Y88.6Confident85Confident47 Ų4758.2 Ų58.218%0.18432%0.317CS..EExtended strand (participates in β ladder)trans-113.5141.5174.6-69.1-109.9000109.5M13 G14 R15 R55 F60M13-Y22 HydrophobicContact CB-CD1 4.42Å; G14-Y22 CarbonylContact O-C 3.55Å; G14-Y22 WeakPolarHBondContact O-CA 3.41Å; R15-Y22 HydrophobicContact CB-CD1 3.95Å; R15-Y22 HydrophobicContact CB-CE1 3.83Å; R15-Y22 HydrophobicContact CB-CE2 4.38Å; R15-Y22 HydrophobicContact CB-CG 4.3Å; R15-Y22 HydrophobicContact CG-CD2 4.45Å; R15-Y22 HydrophobicContact CG-CE2 4.21Å; Y22-R55 HydrophobicContact CD1-CG 4.5Å; Y22-R55 HydrophobicContact CE1-CB 4.49Å; Y22-R55 HydrophobicContact CE1-CG 3.87Å; Y22-R55 PolarHBondContact OH-NE 3.35Å; Y22-F60 HydrophobicContact CD1-CZ 4.23Å; Y22-F60 HydrophobicContact CD2-CZ 4.08Å; Y22-F60 HydrophobicContact CG-CE2 4.49Å; Y22-F60 AromaticContact CG-CZ 3.86Å; Y22-F60 HydrophobicContact CG-CZ 3.86Å
23Y88.8Confident84.2Confident106 Ų10664.5 Ų64.542%0.41636%0.355SS..EExtended strand (participates in β ladder)trans-127.9156.7-179.4-61.8-90.4000110.4M13 G14 W16 L21 V25 Y41M13-Y23 CarbonylContact C-O 3.42Å; M13-Y23 WeakPolarHBondContact CA-O 3.39Å; G14-Y23 PolarHBondContact N-O 2.97Å; G14-Y23 PolarHBondContact O-N 3.2Å; W16-Y23 HydrophobicContact CB-CD2 3.99Å; W16-Y23 HydrophobicContact CB-CE2 3.75Å; W16-Y23 HydrophobicContact CG-CE2 4.43Å; L21-Y23 HydrophobicContact CB-CE2 3.78Å; L21-Y23 WeakPolarHBondContact CD1-OH 3.21Å; Y23-V25 PolarHBondContact O-N 3.22Å; Y23-Y41 HydrophobicContact CD2-CE1 4.41Å
24E88.9Confident83.7Confident82 Ų8266.6 Ų66.638%0.38337%0.37SS..EExtended strand (participates in β ladder)trans-69.5120.7172.2-72.5177.9-177.200110.1V11 V12 M13 K42V11-E24 HydrophobicContact CG1-CB 4.42Å; V12-E24 WeakPolarHBondContact O-CA 3.26Å; M13-E24 HydrophobicContact SD-CB 4.4Å; M13-E24 HydrophobicContact SD-CG 3.54Å; M13-E24 VanDerWaalsContact SD-CG 3.54Å; E24-K42 VanDerWaalsContact OE2-CE 3.26Å; E24-K42 WeakPolarHBondContact OE2-CE 3.35Å; E24-K42 IonicContact OE2-NZ 3.5Å; E24-K42 PolarHBondContact OE2-NZ 3.23Å
25V90Very high83.3Confident2 Ų271.9 Ų71.91%0.01239%0.394CS..EExtended strand (participates in β ladder)trans-130.6152.4178.6-56.60000110.1V11 V12 Y23 V39 K40 Y41V11-V25 CarbonylContact C-O 3.57Å; V11-V25 WeakPolarHBondContact CA-O 3.44Å; V12-V25 HydrophobicContact CG2-CG2 3.64Å; V12-V25 PolarHBondContact N-O 3.46Å; V12-V25 PolarHBondContact O-N 2.98Å; Y23-V25 PolarHBondContact O-N 3.22Å; V25-V39 HydrophobicContact CB-CB 4.03Å; V25-V39 HydrophobicContact CB-CG2 4.22Å; V25-V39 HydrophobicContact CG1-CG2 4.42Å; V25-V39 HydrophobicContact CG2-CB 3.75Å; V25-V39 HydrophobicContact CG2-CG1 4.04Å; V25-V39 HydrophobicContact CG2-CG2 4.02Å; V25-K40 CarbonylContact C-O 3.52Å; V25-K40 VanDerWaalsContact CA-O 3.28Å; V25-K40 WeakPolarHBondContact CA-O 3.39Å; V25-K40 WeakPolarHBondContact CB-O 3.45Å; V25-Y41 HydrophobicContact CG1-CD1 3.43Å; V25-Y41 VanDerWaalsContact CG1-CD1 3.43Å; V25-Y41 HydrophobicContact CG1-CD2 3.88Å; V25-Y41 HydrophobicContact CG1-CE1 3.36Å; V25-Y41 HydrophobicContact CG1-CE2 3.81Å; V25-Y41 HydrophobicContact CG1-CG 3.69Å
26Q90.8Very high83.3Confident93 Ų9369.5 Ų69.544%0.43539%0.388SS..EExtended strand (participates in β ladder)trans-100.6130.8172.8-170.117029.700109.9G9 E10 V11 T28 V39 K40G9-Q26 WeakPolarHBondContact O-CG 3.46Å; G9-Q26 PolarHBondContact O-NE2 3.47Å; E10-Q26 WeakPolarHBondContact O-CA 3.44Å; V11-Q26 HydrophobicContact CG2-CG 4.48Å; Q26-T28 PolarHBondContact O-N 3.06Å; Q26-V39 CarbonylContact O-C 3.48Å; Q26-V39 VanDerWaalsContact O-CA 3.31Å; Q26-V39 WeakPolarHBondContact O-CA 3.36Å; Q26-K40 PolarHBondContact N-O 2.91Å; Q26-K40 PolarHBondContact O-N 3.05Å
27V88.1Confident83.4Confident1 Ų165 Ų651%0.00637%0.37CS..EExtended strand (participates in β ladder)trans-69.9125.3172.5-179.90000108.9F6 A7 G9 E10 V12 Y37 V39F6-V27 HydrophobicContact CB-CG2 4.22Å; A7-V27 WeakPolarHBondContact O-CB 3.41Å; G9-V27 WeakPolarHBondContact CA-O 3.41Å; G9-V27 PolarHBondContact N-O 3.42Å; E10-V27 PolarHBondContact O-N 2.96Å; V12-V27 HydrophobicContact CG1-CG2 4.28Å; V12-V27 HydrophobicContact CG2-CG2 3.79Å; V27-Y37 HydrophobicContact CG1-CD1 4.05Å; V27-V39 HydrophobicContact CG2-CG1 4.34Å
28T86.4Confident83.8Confident61 Ų6163.1 Ų63.137%0.37436%0.358SS..EExtended strand (participates in β ladder)trans-110.7-14.8179.152.10000113.5Q26 T38 K40Q26-T28 PolarHBondContact O-N 3.06Å; T28-T38 PolarHBondContact N-O 3.49Å; T28-T38 WeakPolarHBondContact OG1-CG2 3.33Å; T28-T38 PolarHBondContact OG1-O 2.87Å; T28-K40 HydrophobicContact CG2-CB 3.78Å; T28-K40 HydrophobicContact CG2-CD 4.46Å
29G84.4Confident84.7Confident16 Ų1658.7 Ų58.717%0.16531%0.312CS..EExtended strand (participates in β ladder)trans-170.9166.3174.700000112.6D8 Y37 T38D8-G29 VanDerWaalsContact OD1-CA 3.29Å; D8-G29 WeakPolarHBondContact OD1-CA 3.46Å; D8-G29 PolarHBondContact OD1-N 3.14Å; G29-Y37 WeakPolarHBondContact O-CA 3.43Å; G29-T38 PolarHBondContact N-O 3.1Å; G29-T38 PolarHBondContact O-N 2.99Å
30Y85.6Confident85.3Confident36 Ų3660.9 Ų60.914%0.14132%0.318CS..EExtended strand (participates in β ladder)trans-134.3136.1167.6179.1-108.8000109.3R4 D32 H35 L36 Y37R4-Y30 HydrophobicContact CG-CD1 4.31Å; R4-Y30 HydrophobicContact CG-CG 4.45Å; Y30-D32 VanDerWaalsContact CE1-OD1 3.32Å; Y30-D32 WeakPolarHBondContact CE1-OD1 3.37Å; Y30-H35 WeakPolarHBondContact OH-CA 3.49Å; Y30-H35 PolarHBondContact OH-ND1 3.49Å; Y30-L36 WeakPolarHBondContact CD2-O 3.47Å; Y30-Y37 AromaticContact CD2-CD1 3.56Å; Y30-Y37 HydrophobicContact CD2-CD1 3.56Å; Y30-Y37 AromaticContact CD2-CD2 3.71Å; Y30-Y37 HydrophobicContact CD2-CD2 3.71Å; Y30-Y37 AromaticContact CD2-CE1 3.51Å; Y30-Y37 HydrophobicContact CD2-CE1 3.51Å; Y30-Y37 AromaticContact CD2-CE2 3.65Å; Y30-Y37 HydrophobicContact CD2-CE2 3.65Å; Y30-Y37 AromaticContact CD2-CG 3.67Å; Y30-Y37 HydrophobicContact CD2-CG 3.67Å; Y30-Y37 AromaticContact CD2-CZ 3.55Å; Y30-Y37 HydrophobicContact CE2-CD1 4.39Å; Y30-Y37 AromaticContact CE2-CD2 3.84Å; Y30-Y37 HydrophobicContact CE2-CD2 3.84Å; Y30-Y37 HydrophobicContact CE2-CE1 4.08Å; Y30-Y37 AromaticContact CE2-CE2 3.47Å; Y30-Y37 HydrophobicContact CE2-CE2 3.47Å; Y30-Y37 VanDerWaalsContact CE2-CE2 3.47Å; Y30-Y37 HydrophobicContact CE2-CG 4.28Å; Y30-Y37 AromaticContact CE2-CZ 3.61Å; Y30-Y37 HydrophobicContact CG-CD1 4.23Å; Y30-Y37 HydrophobicContact CG-CE1 4.09Å
31N84.8Confident85.5Confident58 Ų5855.6 Ų55.631%0.3129%0.285SS..EExtended strand (participates in β ladder)trans-104.4104.4178.9-176.9-22.4000109.6V33 T34 H35 L36N31-V33 PolarHBondContact O-N 3.23Å; N31-V33 VanDerWaalsContact O-N 3.09Å; N31-V33 WeakPolarHBondContact OD1-CB 3.35Å; N31-V33 PolarHBondContact OD1-N 2.75Å; N31-T34 WeakPolarHBondContact CB-OG1 3.42Å; N31-T34 VanDerWaalsContact CG-OG1 3.24Å; N31-T34 PolarHBondContact ND2-OG1 2.9Å; N31-T34 PolarHBondContact O-N 3.46Å; N31-T34 PolarHBondContact OD1-N 3.36Å; N31-H35 WeakPolarHBondContact O-CA 3.13Å; N31-H35 PolarHBondContact O-N 2.73Å; N31-L36 PolarHBondContact N-O 2.9Å
32D76.6Confident85.5Confident95 Ų9558.8 Ų58.851%0.50829%0.294SS..THydrogen-bonded Turntrans-60.1-18.4-178.8-72.9-58.6000114.2P2 Y30 H35P2-D32 WeakPolarHBondContact CG-OD1 3.45Å; Y30-D32 VanDerWaalsContact CE1-OD1 3.32Å; Y30-D32 WeakPolarHBondContact CE1-OD1 3.37Å; D32-H35 PolarHBondContact O-CE1 2.88Å; D32-H35 VanDerWaalsContact O-CE1 3.24Å; D32-H35 PolarHBondContact O-ND1 3.36Å
33V75.1Confident84.8Confident131 Ų13161.8 Ų61.879%0.79431%0.314SS*.THydrogen-bonded Turntrans-90.4-34.6-178.7-174.20000112.3N31N31-V33 PolarHBondContact O-N 3.23Å; N31-V33 VanDerWaalsContact O-N 3.09Å; N31-V33 WeakPolarHBondContact OD1-CB 3.35Å; N31-V33 PolarHBondContact OD1-N 2.75Å
34T78.3Confident84.1Confident69 Ų6958.6 Ų58.642%0.42331%0.313SS..THydrogen-bonded Turntrans-102.5-10.1179.963.60000113.6N31 L36N31-T34 WeakPolarHBondContact CB-OG1 3.42Å; N31-T34 VanDerWaalsContact CG-OG1 3.24Å; N31-T34 PolarHBondContact ND2-OG1 2.9Å; N31-T34 PolarHBondContact O-N 3.46Å; N31-T34 PolarHBondContact OD1-N 3.36Å; T34-L36 PolarHBondContact O-N 2.95Å
35H80.5Confident83.9Confident110 Ų11057.4 Ų57.451%0.50931%0.311SS..THydrogen-bonded Turntrans55.625.5-171.6-56.2-47.4000114.5Y30 N31 D32Y30-H35 WeakPolarHBondContact OH-CA 3.49Å; Y30-H35 PolarHBondContact OH-ND1 3.49Å; N31-H35 WeakPolarHBondContact O-CA 3.13Å; N31-H35 PolarHBondContact O-N 2.73Å; D32-H35 PolarHBondContact O-CE1 2.88Å; D32-H35 VanDerWaalsContact O-CE1 3.24Å; D32-H35 PolarHBondContact O-ND1 3.36Å
36L86.8Confident83.8Confident36 Ų3662.3 Ų62.319%0.18833%0.334CS..EExtended strand (participates in β ladder)trans-95142.9175.3-59.3178.3000111.1Y30 N31 T34 E48 K50Y30-L36 WeakPolarHBondContact CD2-O 3.47Å; N31-L36 PolarHBondContact N-O 2.9Å; T34-L36 PolarHBondContact O-N 2.95Å; L36-E48 HydrophobicContact CB-CB 4.26Å; L36-E48 HydrophobicContact CD1-CB 4.12Å; L36-E48 VanDerWaalsContact CD1-OE2 3.32Å; L36-E48 WeakPolarHBondContact CD1-OE2 3.45Å; L36-K50 HydrophobicContact CD2-CB 4.32Å; L36-K50 HydrophobicContact CD2-CG 3.52Å
37Y87.3Confident83.6Confident0 Ų060.4 Ų60.40%033%0.326CS..EExtended strand (participates in β ladder)trans-98.3125.6170-67.5-96.9000108.8R4 R5 F6 V27 G29 Y30 E48 L49 E51 I54R4-Y37 HydrophobicContact CG-CE1 4.35Å; R5-Y37 PolarHBondContact N-OH 3.21Å; F6-Y37 HydrophobicContact CB-CE1 4.05Å; F6-Y37 HydrophobicContact CD2-CE1 4.25Å; V27-Y37 HydrophobicContact CG1-CD1 4.05Å; G29-Y37 WeakPolarHBondContact O-CA 3.43Å; Y30-Y37 AromaticContact CD2-CD1 3.56Å; Y30-Y37 HydrophobicContact CD2-CD1 3.56Å; Y30-Y37 AromaticContact CD2-CD2 3.71Å; Y30-Y37 HydrophobicContact CD2-CD2 3.71Å; Y30-Y37 AromaticContact CD2-CE1 3.51Å; Y30-Y37 HydrophobicContact CD2-CE1 3.51Å; Y30-Y37 AromaticContact CD2-CE2 3.65Å; Y30-Y37 HydrophobicContact CD2-CE2 3.65Å; Y30-Y37 AromaticContact CD2-CG 3.67Å; Y30-Y37 HydrophobicContact CD2-CG 3.67Å; Y30-Y37 AromaticContact CD2-CZ 3.55Å; Y30-Y37 HydrophobicContact CE2-CD1 4.39Å; Y30-Y37 AromaticContact CE2-CD2 3.84Å; Y30-Y37 HydrophobicContact CE2-CD2 3.84Å; Y30-Y37 HydrophobicContact CE2-CE1 4.08Å; Y30-Y37 AromaticContact CE2-CE2 3.47Å; Y30-Y37 HydrophobicContact CE2-CE2 3.47Å; Y30-Y37 VanDerWaalsContact CE2-CE2 3.47Å; Y30-Y37 HydrophobicContact CE2-CG 4.28Å; Y30-Y37 AromaticContact CE2-CZ 3.61Å; Y30-Y37 HydrophobicContact CG-CD1 4.23Å; Y30-Y37 HydrophobicContact CG-CE1 4.09Å; Y37-E48 WeakPolarHBondContact O-CA 3.42Å; Y37-L49 PolarHBondContact N-O 3.09Å; Y37-L49 PolarHBondContact O-N 3.09Å; Y37-E51 HydrophobicContact CD2-CB 4.49Å; Y37-E51 HydrophobicContact CE2-CB 3.92Å; Y37-E51 HydrophobicContact CE2-CG 3.92Å; Y37-E51 PolarHBondContact OH-OE2 3.12Å; Y37-I54 HydrophobicContact CD2-CD1 3.97Å; Y37-I54 HydrophobicContact CG-CD1 3.84Å
38T88.3Confident83.7Confident36 Ų3665.5 Ų65.522%0.22135%0.35CS..EExtended strand (participates in β ladder)trans-76.6126.9166.6-41.50000107.8T28 G29T28-T38 PolarHBondContact N-O 3.49Å; T28-T38 WeakPolarHBondContact OG1-CG2 3.33Å; T28-T38 PolarHBondContact OG1-O 2.87Å; G29-T38 PolarHBondContact N-O 3.1Å; G29-T38 PolarHBondContact O-N 2.99Å
39V89.6Confident83.7Confident0 Ų063.2 Ų63.20%034%0.335CS..EExtended strand (participates in β ladder)trans-130.4144.7-179-56.10000111.6V25 Q26 V27 Y41 E46 L47 L49 I54V25-V39 HydrophobicContact CB-CB 4.03Å; V25-V39 HydrophobicContact CB-CG2 4.22Å; V25-V39 HydrophobicContact CG1-CG2 4.42Å; V25-V39 HydrophobicContact CG2-CB 3.75Å; V25-V39 HydrophobicContact CG2-CG1 4.04Å; V25-V39 HydrophobicContact CG2-CG2 4.02Å; Q26-V39 CarbonylContact O-C 3.48Å; Q26-V39 VanDerWaalsContact O-CA 3.31Å; Q26-V39 WeakPolarHBondContact O-CA 3.36Å; V27-V39 HydrophobicContact CG2-CG1 4.34Å; V39-Y41 HydrophobicContact CG2-CE2 3.94Å; V39-E46 WeakPolarHBondContact O-CA 3.38Å; V39-L47 PolarHBondContact N-O 3.29Å; V39-L47 PolarHBondContact O-N 3.26Å; V39-L49 HydrophobicContact CG2-CD1 3.72Å; V39-L49 HydrophobicContact CG2-CG 3.89Å; V39-I54 HydrophobicContact CG1-CD1 3.91Å
40K88.9Confident83.8Confident78 Ų7867.1 Ų67.134%0.33935%0.348SS..EExtended strand (participates in β ladder)trans-111.1124.8179.4-167163.2-163.9151.70111.5V25 Q26 T28 G44 T45 E46V25-K40 CarbonylContact C-O 3.52Å; V25-K40 VanDerWaalsContact CA-O 3.28Å; V25-K40 WeakPolarHBondContact CA-O 3.39Å; V25-K40 WeakPolarHBondContact CB-O 3.45Å; Q26-K40 PolarHBondContact N-O 2.91Å; Q26-K40 PolarHBondContact O-N 3.05Å; T28-K40 HydrophobicContact CG2-CB 3.78Å; T28-K40 HydrophobicContact CG2-CD 4.46Å; K40-G44 WeakPolarHBondContact CE-O 3.13Å; K40-T45 CarbonylContact C-O 3.52Å; K40-T45 WeakPolarHBondContact CA-O 3.37Å; K40-E46 HydrophobicContact CB-CG 4.02Å; K40-E46 HydrophobicContact CD-CG 3.91Å; K40-E46 WeakPolarHBondContact CD-OE1 3.31Å; K40-E46 VanDerWaalsContact CE-OE1 3.25Å; K40-E46 WeakPolarHBondContact CE-OE1 3.46Å; K40-E46 HydrophobicContact CG-CG 3.79Å; K40-E46 IonicContact NZ-OE1 3.38Å; K40-E46 PolarHBondContact NZ-OE1 2.88Å
41Y86.2Confident83.7Confident11 Ų1168.3 Ų68.34%0.04336%0.355CS..EExtended strand (participates in β ladder)trans-83.1159.6175.9-71.6-101.3000110.9R15 W16 Y23 V25 V39 D43 G44 T45 L47R15-Y41 PolarHBondContact O-OH 3.47Å; R15-Y41 VanDerWaalsContact O-OH 3.14Å; W16-Y41 AromaticContact CE3-CD1 3.85Å; W16-Y41 HydrophobicContact CE3-CD1 3.85Å; W16-Y41 AromaticContact CE3-CE1 3.46Å; W16-Y41 HydrophobicContact CE3-CE1 3.46Å; W16-Y41 VanDerWaalsContact CE3-CE1 3.46Å; W16-Y41 AromaticContact CE3-CZ 3.82Å; W16-Y41 AromaticContact CZ3-CD1 3.77Å; W16-Y41 HydrophobicContact CZ3-CD1 3.77Å; W16-Y41 HydrophobicContact CZ3-CD2 4.39Å; W16-Y41 AromaticContact CZ3-CE1 3.84Å; W16-Y41 HydrophobicContact CZ3-CE1 3.84Å; W16-Y41 HydrophobicContact CZ3-CE2 4.46Å; W16-Y41 HydrophobicContact CZ3-CG 4.06Å; Y23-Y41 HydrophobicContact CD2-CE1 4.41Å; V25-Y41 HydrophobicContact CG1-CD1 3.43Å; V25-Y41 VanDerWaalsContact CG1-CD1 3.43Å; V25-Y41 HydrophobicContact CG1-CD2 3.88Å; V25-Y41 HydrophobicContact CG1-CE1 3.36Å; V25-Y41 HydrophobicContact CG1-CE2 3.81Å; V25-Y41 HydrophobicContact CG1-CG 3.69Å; V39-Y41 HydrophobicContact CG2-CE2 3.94Å; Y41-D43 WeakPolarHBondContact CB-OD1 3.49Å; Y41-D43 PolarHBondContact O-N 2.98Å; Y41-D43 VanDerWaalsContact O-N 3.14Å; Y41-G44 PolarHBondContact O-N 3.42Å; Y41-T45 PolarHBondContact N-O 2.91Å; Y41-L47 HydrophobicContact CD2-CD1 4.37Å; Y41-L47 HydrophobicContact CE2-CB 4.21Å; Y41-L47 HydrophobicContact CE2-CD1 3.76Å; Y41-L47 HydrophobicContact CE2-CG 4.33Å
42K80.7Confident83.7Confident166 Ų16669.4 Ų69.472%0.72237%0.367SS*.THydrogen-bonded Turntrans-64.9-14.6-177.4-68.3-171.4179-179.10115.1E24 G44E24-K42 VanDerWaalsContact OE2-CE 3.26Å; E24-K42 WeakPolarHBondContact OE2-CE 3.35Å; E24-K42 IonicContact OE2-NZ 3.5Å; E24-K42 PolarHBondContact OE2-NZ 3.23Å; K42-G44 VanDerWaalsContact C-N 3.32Å
43D74.8Confident84.1Confident111 Ų11166 Ų6659%0.59435%0.349SS*.THydrogen-bonded Turntrans-85.5-4.7172.253.725.1000113.2Y41 T45Y41-D43 WeakPolarHBondContact CB-OD1 3.49Å; Y41-D43 PolarHBondContact O-N 2.98Å; Y41-D43 VanDerWaalsContact O-N 3.14Å; D43-T45 VanDerWaalsContact CG-OG1 3.28Å; D43-T45 VanDerWaalsContact OD1-CB 3.22Å; D43-T45 WeakPolarHBondContact OD1-CB 3.41Å; D43-T45 PolarHBondContact OD1-N 3.33Å; D43-T45 PolarHBondContact OD1-OG1 3.33Å
44G74.5Confident84.7Confident39 Ų3960.2 Ų60.240%0.40231%0.314SS..SBendtrans97-6.4-177.800000114.6K40 Y41 K42K40-G44 WeakPolarHBondContact CE-O 3.13Å; Y41-G44 PolarHBondContact O-N 3.42Å; K42-G44 VanDerWaalsContact C-N 3.32Å
45T83.8Confident85.1Confident57 Ų5762.7 Ų62.735%0.3532%0.315SS..  trans-66.3132.5179.9-45.60000111K40 Y41 D43 L47K40-T45 CarbonylContact C-O 3.52Å; K40-T45 WeakPolarHBondContact CA-O 3.37Å; Y41-T45 PolarHBondContact N-O 2.91Å; D43-T45 VanDerWaalsContact CG-OG1 3.28Å; D43-T45 VanDerWaalsContact OD1-CB 3.22Å; D43-T45 WeakPolarHBondContact OD1-CB 3.41Å; D43-T45 PolarHBondContact OD1-N 3.33Å; D43-T45 PolarHBondContact OD1-OG1 3.33Å; T45-L47 HydrophobicContact CG2-CD1 4.47Å; T45-L47 HydrophobicContact CG2-CG 4.2Å
46E87.8Confident85.2Confident104 Ų10459.5 Ų59.549%0.48631%0.305SS..EExtended strand (participates in β ladder)trans-109.3132.2174-70.7175.5-162.100110.2V39 K40V39-E46 WeakPolarHBondContact O-CA 3.38Å; K40-E46 HydrophobicContact CB-CG 4.02Å; K40-E46 HydrophobicContact CD-CG 3.91Å; K40-E46 WeakPolarHBondContact CD-OE1 3.31Å; K40-E46 VanDerWaalsContact CE-OE1 3.25Å; K40-E46 WeakPolarHBondContact CE-OE1 3.46Å; K40-E46 HydrophobicContact CG-CG 3.79Å; K40-E46 IonicContact NZ-OE1 3.38Å; K40-E46 PolarHBondContact NZ-OE1 2.88Å
47L88Confident84.8Confident53 Ų5360.2 Ų60.228%0.27731%0.308SS..EExtended strand (participates in β ladder)trans-142.6152.5-177.9-69.5174000110.7P17 V39 Y41 T45P17-L47 HydrophobicContact CG-CD1 3.98Å; V39-L47 PolarHBondContact N-O 3.29Å; V39-L47 PolarHBondContact O-N 3.26Å; Y41-L47 HydrophobicContact CD2-CD1 4.37Å; Y41-L47 HydrophobicContact CE2-CB 4.21Å; Y41-L47 HydrophobicContact CE2-CD1 3.76Å; Y41-L47 HydrophobicContact CE2-CG 4.33Å; T45-L47 HydrophobicContact CG2-CD1 4.47Å; T45-L47 HydrophobicContact CG2-CG 4.2Å
48E89.4Confident84.1Confident109 Ų10964.1 Ų64.151%0.50934%0.335SS..EExtended strand (participates in β ladder)trans-92.6129170.7-64.1-170.715900110.7L36 Y37L36-E48 HydrophobicContact CB-CB 4.26Å; L36-E48 HydrophobicContact CD1-CB 4.12Å; L36-E48 VanDerWaalsContact CD1-OE2 3.32Å; L36-E48 WeakPolarHBondContact CD1-OE2 3.45Å; Y37-E48 WeakPolarHBondContact O-CA 3.42Å
49L86.8Confident83.3Confident12 Ų1265.9 Ų65.96%0.06335%0.348CS..EExtended strand (participates in β ladder)trans-122.2145.5176.8-66.3-175.7000111.5R15 Y37 V39 I54R15-L49 WeakPolarHBondContact O-CD2 3.38Å; Y37-L49 PolarHBondContact N-O 3.09Å; Y37-L49 PolarHBondContact O-N 3.09Å; V39-L49 HydrophobicContact CG2-CD1 3.72Å; V39-L49 HydrophobicContact CG2-CG 3.89Å; L49-I54 HydrophobicContact CB-CD1 4.04Å; L49-I54 HydrophobicContact CB-CG1 4.02Å; L49-I54 HydrophobicContact CD1-CG1 4.03Å
50K86.7Confident82.2Confident99 Ų9970.6 Ų70.643%0.4337%0.369SS..EExtended strand (participates in β ladder)trans-72.9150.8167.8-66.6172.8-179.6172.90109.8L36 S52 D53L36-K50 HydrophobicContact CD2-CB 4.32Å; L36-K50 HydrophobicContact CD2-CG 3.52Å; K50-S52 WeakPolarHBondContact CB-OG 3.42Å; K50-S52 PolarHBondContact O-N 3.25Å; K50-S52 VanDerWaalsContact O-N 3.14Å; K50-D53 PolarHBondContact O-N 3.12Å
51E83.2Confident80.8Confident60 Ų6073.6 Ų73.628%0.2838%0.382SS..G310 helixtrans-56.9-31.7177.8-162-173.9115.700113R5 F6 Y37 D53 I54R5-E51 WeakPolarHBondContact CD-OE1 3.41Å; R5-E51 IonicContact CZ-OE1 3.63Å; R5-E51 IonicContact NE-OE1 3.4Å; R5-E51 IonicContact NH1-OE1 2.72Å; R5-E51 PolarHBondContact NH1-OE1 3.47Å; F6-E51 HydrophobicContact CE2-CG 4.26Å; Y37-E51 HydrophobicContact CD2-CB 4.49Å; Y37-E51 HydrophobicContact CE2-CB 3.92Å; Y37-E51 HydrophobicContact CE2-CG 3.92Å; Y37-E51 PolarHBondContact OH-OE2 3.12Å; E51-D53 PolarHBondContact O-N 2.89Å; E51-D53 VanDerWaalsContact O-N 3.12Å; E51-I54 PolarHBondContact O-N 3.32Å; E51-I54 VanDerWaalsContact O-N 3.17Å
52S84.1Confident78.9Confident82 Ų8282.1 Ų82.157%0.57342%0.422SS*.G310 helixtrans-54.4-27.7174.446.20000114.5K50K50-S52 WeakPolarHBondContact CB-OG 3.42Å; K50-S52 PolarHBondContact O-N 3.25Å; K50-S52 VanDerWaalsContact O-N 3.14Å
53D86.4Confident77.1Confident24 Ų2485.7 Ų85.713%0.12843%0.431CS..G310 helixtrans-108.59.6-171.6-65-80000111.8R15 K50 E51R15-D53 HydrophobicContact CB-CB 3.99Å; R15-D53 WeakPolarHBondContact CB-O 3.36Å; R15-D53 WeakPolarHBondContact CD-OD1 3.42Å; R15-D53 IonicContact CZ-OD1 2.74Å; R15-D53 PolarHBondContact N-O 2.91Å; R15-D53 IonicContact NE-OD1 3.74Å; R15-D53 IonicContact NH1-OD1 3.7Å; R15-D53 PolarHBondContact NH1-OD1 3.26Å; K50-D53 PolarHBondContact O-N 3.12Å; E51-D53 PolarHBondContact O-N 2.89Å; E51-D53 VanDerWaalsContact O-N 3.12Å
54I86.6Confident75.5Confident9 Ų990.4 Ų90.45%0.04645%0.446CS..EExtended strand (participates in β ladder)trans-115.8139.8171.7-62.6179.2000110F6 V12 M13 Y37 V39 L49 E51F6-I54 HydrophobicContact CD2-CG2 3.77Å; F6-I54 HydrophobicContact CE2-CB 4.12Å; F6-I54 HydrophobicContact CE2-CG2 3.52Å; F6-I54 HydrophobicContact CG-CG2 4.38Å; F6-I54 HydrophobicContact CZ-CG2 3.93Å; V12-I54 HydrophobicContact CB-CG2 3.84Å; V12-I54 HydrophobicContact CG1-CG2 4.38Å; V12-I54 HydrophobicContact CG2-CG2 3.58Å; M13-I54 WeakPolarHBondContact O-CA 3.24Å; Y37-I54 HydrophobicContact CD2-CD1 3.97Å; Y37-I54 HydrophobicContact CG-CD1 3.84Å; V39-I54 HydrophobicContact CG1-CD1 3.91Å; L49-I54 HydrophobicContact CB-CD1 4.04Å; L49-I54 HydrophobicContact CB-CG1 4.02Å; L49-I54 HydrophobicContact CD1-CG1 4.03Å; E51-I54 PolarHBondContact O-N 3.32Å; E51-I54 VanDerWaalsContact O-N 3.17Å
55R86.8Confident73.7Confident120 Ų12093.8 Ų93.845%0.45346%0.464SS..EExtended strand (participates in β ladder)trans-138143.2177.6-67.6-178.4-178.9-147-3.7111.4M13 Y22 F60M13-R55 HydrophobicContact CB-CB 4.4Å; M13-R55 WeakPolarHBondContact CB-O 3.19Å; M13-R55 PolarHBondContact N-O 2.79Å; M13-R55 PolarHBondContact O-N 2.86Å; Y22-R55 HydrophobicContact CD1-CG 4.5Å; Y22-R55 HydrophobicContact CE1-CB 4.49Å; Y22-R55 HydrophobicContact CE1-CG 3.87Å; Y22-R55 PolarHBondContact OH-NE 3.35Å; R55-F60 HydrophobicContact CB-CE2 3.89Å; R55-F60 HydrophobicContact CG-CE2 4.48Å
56S82.3Confident71.3Confident43 Ų43100 Ų10030%0.30149%0.489SS..  trans-62.4139.4170.1177.90000110.6S58 S59S56-S58 WeakPolarHBondContact CB-OG 3.22Å; S56-S58 PolarHBondContact O-N 3.1Å; S56-S58 PolarHBondContact OG-N 3.41Å; S56-S58 PolarHBondContact OG-OG 3.42Å; S56-S59 WeakPolarHBondContact O-CB 3.47Å; S56-S59 PolarHBondContact O-N 2.85Å; S56-S59 PolarHBondContact O-OG 3.34Å
57Q79.1Confident68.8Low52 Ų52101 Ų10124%0.24351%0.507CS..G310 helixtrans-51.7-30.4174.6-62.1-175.39.400113.2V11 M13 S59 F60 K61V11-Q57 WeakPolarHBondContact O-CG 3.42Å; V11-Q57 PolarHBondContact O-NE2 2.89Å; M13-Q57 HydrophobicContact CG-CG 4.42Å; Q57-S59 PolarHBondContact O-N 3.25Å; Q57-F60 PolarHBondContact O-N 3.21Å; Q57-F60 VanDerWaalsContact O-N 3.11Å; Q57-K61 PolarHBondContact O-N 3.08Å
58S72.2Confident66.1Low82 Ų82104.2 Ų104.257%0.57353%0.534SS*.G310 helixtrans-54.8-33.2177.260.10000113S56 F60 K61S56-S58 WeakPolarHBondContact CB-OG 3.22Å; S56-S58 PolarHBondContact O-N 3.1Å; S56-S58 PolarHBondContact OG-N 3.41Å; S56-S58 PolarHBondContact OG-OG 3.42Å; S58-F60 VanDerWaalsContact C-N 3.27Å; S58-F60 PolarHBondContact O-N 3.35Å; S58-K61 PolarHBondContact O-N 2.94Å
59S71.3Confident63.5Low72 Ų72104.2 Ų104.250%0.50355%0.546SS..G310 helixtrans-71.5-16.1-179.866.90000114.6S56 Q57S56-S59 WeakPolarHBondContact O-CB 3.47Å; S56-S59 PolarHBondContact O-N 2.85Å; S56-S59 PolarHBondContact O-OG 3.34Å; Q57-S59 PolarHBondContact O-N 3.25Å
60F67.8Low60.8Low100 Ų100109 Ų10944%0.43958%0.58SS.*G310 helixtrans-104-6.3176.5-69.9-89.1000113.3M13 Y22 R55 Q57 S58 H62M13-F60 HydrophobicContact CB-CD2 4.07Å; M13-F60 HydrophobicContact CB-CE2 3.74Å; M13-F60 HydrophobicContact CG-CD2 3.69Å; M13-F60 HydrophobicContact CG-CE2 3.9Å; Y22-F60 HydrophobicContact CD1-CZ 4.23Å; Y22-F60 HydrophobicContact CD2-CZ 4.08Å; Y22-F60 HydrophobicContact CG-CE2 4.49Å; Y22-F60 AromaticContact CG-CZ 3.86Å; Y22-F60 HydrophobicContact CG-CZ 3.86Å; R55-F60 HydrophobicContact CB-CE2 3.89Å; R55-F60 HydrophobicContact CG-CE2 4.48Å; Q57-F60 PolarHBondContact O-N 3.21Å; Q57-F60 VanDerWaalsContact O-N 3.11Å; S58-F60 VanDerWaalsContact C-N 3.27Å; S58-F60 PolarHBondContact O-N 3.35Å; F60-H62 PolarHBondContact O-N 3.22Å
61K58.9Low58.1Low140 Ų140109.4 Ų109.461%0.60960%0.596SS**SBendtrans-86.3107.6175.8-69.5177.6-174.5171.80109.4Q57 S58 R63Q57-K61 PolarHBondContact O-N 3.08Å; S58-K61 PolarHBondContact O-N 2.94Å; K61-R63 PolarHBondContact O-N 3.44Å
62H46.2Very low56Low191 Ų191112.4 Ų112.488%0.88462%0.621SS**  trans-50.8120.9177.7-101.4-71.5000111.7F60 K64F60-H62 PolarHBondContact O-N 3.22Å; H62-K64 PolarHBondContact O-N 2.97Å; H62-K64 VanDerWaalsContact O-N 3.16Å
63R41.9Very low53.3Low240 Ų240113.7 Ų113.791%0.90663%0.63SS**  trans-61.1115.3166.9-83.5-177.2166.6-176.8-4.5109.3K61 S65K61-R63 PolarHBondContact O-N 3.44Å; R63-S65 PolarHBondContact O-N 3.16Å
64K41.6Very low50.8Low210 Ų210124.6 Ų124.691%0.91367%0.669SS**  trans-67.295.8159-78.3-175174.4-179.30108H62 Q66H62-K64 PolarHBondContact O-N 2.97Å; H62-K64 VanDerWaalsContact O-N 3.16Å; K64-Q66 PolarHBondContact O-N 3.35Å
65S38Very low48.1Very low111 Ų111135.7 Ų135.778%0.77671%0.71SS**  trans-69112176.151.50000110.5R63R63-S65 PolarHBondContact O-N 3.16Å
66Q32.3Very low45.5Very low188 Ų188135.5 Ų135.588%0.87973%0.727SS**  trans-64.3139.2163.9-71.7175-40.100109.4K64 S68K64-Q66 PolarHBondContact O-N 3.35Å; Q66-S68 PolarHBondContact O-N 3.26Å; Q66-S68 VanDerWaalsContact O-N 3.15Å
67S35.8Very low42.9Very low124 Ų124138 Ų13887%0.86775%0.751SS**  trans-82.887.3-176.854.50000111.8
68S30Very low40.6Very low120 Ų120140.6 Ų140.684%0.83978%0.775SS**  trans-84.2107169.157.50000110.9Q66Q66-S68 PolarHBondContact O-N 3.26Å; Q66-S68 VanDerWaalsContact O-N 3.15Å
69S35.7Very low38.8Very low110 Ų110147.7 Ų147.777%0.76979%0.789SS**  trans-75.3140.8175.755.50000113
70S29.3Very low37Very low111 Ų111148.5 Ų148.578%0.77680%0.795SS**  trans163170.2133.153.80000113.1
71S30.6Very low35.4Very low109 Ų109155.5 Ų155.576%0.76282%0.818SS**  trans92.7140.8169.4-51.40000116.8
72P38.5Very low34.3Very low122 Ų122154.5 Ų154.579%0.79283%0.829SS**  -130.6168.5-64.224.9-5.7000113.8
73S28.1Very low33.8Very low109 Ų109156.7 Ų156.776%0.76283%0.829SS**  trans-62.5141.8-178.757.10000114.8
74R34.1Very low33.7Very low254 Ų254150.3 Ų150.396%0.95882%0.821SS**  trans-110138.5152.6-70.6-171.7175.5-165.8-1.2109.9
75R29.7Very low34.1Very low241 Ų241146.1 Ų146.191%0.90982%0.816SS**  trans-120.3120.7-178.3-87.6-177.9167.5-176.8-2.3111.5
76S32Very low33.8Very low116 Ų116144.5 Ų144.581%0.81182%0.817SS**  trans-170.8124.2151.240.40000106.4
77A28.5Very low34.2Very low97 Ų97147.3 Ų147.380%0.80282%0.819SS**  59.8120.258.500000111.4
78S30.4Very low34.9Very low105 Ų105146.6 Ų146.673%0.73481%0.812SS**  cis-157.416910.650.70000109.3
79R34.3Very low35.2Very low231 Ų231145.4 Ų145.487%0.87281%0.809SS**  -173.2123.372.2-108.4168.6-176.6174.4-0.3113.7
80S32.9Very low35Very low90 Ų90150.6 Ų150.663%0.62982%0.817SS**  trans41.7133.3131.965.70000125.1
81R34.2Very low35.1Very low247 Ų247148.8 Ų148.893%0.93282%0.816SS**  trans78146.6151.2-63.7162.6-177.6-177.8-0.3116.6
82S36.3Very low35.3Very low118 Ų118155.5 Ų155.583%0.82583%0.825SS**  cis-133.9172.3851.50000114.2
83R35.3Very low35Very low237 Ų237161.1 Ų161.189%0.89483%0.83SS**  trans-83.4168.8172.3-58.5170173.6163.9-5.6109.4
84S41.2Very low35.2Very low106 Ų106167.4 Ų167.474%0.74184%0.837SS**  cis-167.2-162.545.7-57.50000111.3
85P48.8Very low35.3Very low123 Ų123160 Ų16080%0.79982%0.824SS**  -138.1144.2-82.341.1-23000118
86G31.8Very low35.4Very low77 Ų77153.2 Ų153.279%0.79481%0.814SS**  trans65.2-176.3153.800000117.8
87R41Very low35.4Very low247 Ų247152.8 Ų152.893%0.93281%0.811SS**  cis-155.6179.2-20.4-118.4-152.6164.9179.1-2.8108.1
88P49.5Very low35.6Very low109 Ų109157.6 Ų157.671%0.70882%0.817SS**  trans-128.1178.8-137.544.9-30.4000117.9
89A36.2Very low35.6Very low94 Ų94158 Ų15878%0.77782%0.819SS**  trans65115.2143.200000122
90K32.8Very low35.4Very low219 Ų219159 Ų15995%0.95282%0.823SS**  trans-143.8155.2143-82.2179178.8171.50107.7
91G31.9Very low35.3Very low73 Ų73162.2 Ų162.275%0.75383%0.828SS**  cis158.193.8-6.200000113.4
92R34.1Very low35Very low250 Ų250159.7 Ų159.794%0.94382%0.819SS**  trans9.2130.1165.2-82.2178.3163.2175.9-4.2120.3
93R32.2Very low34.6Very low240 Ų240164 Ų16491%0.90682%0.823SS**  -143.2130.9127.1-91.2163.8-171.7-162.7-1106.1
94R32.3Very low34.3Very low242 Ų242159 Ų15991%0.91381%0.813SS**  57.3132.871.9-80.3-171.4174.3179.9-1.6111.7
95S35.6Very low33.7Very low98 Ų98161.6 Ų161.669%0.68582%0.819SS**  cis-156.4172.123.751.30000114.7
96S31.6Very low32.7Very low99 Ų99164.6 Ų164.669%0.69282%0.82SS**  trans58.3145.8138.655.90000122
97S32.8Very low32.4Very low106 Ų106170.2 Ų170.274%0.74182%0.822SS**  cis178.8136.6-20.648.50000109.6
98Q33.2Very low31.7Very low198 Ų198168.1 Ų168.193%0.92582%0.82SS**  -178161.8127.5-103.5178.413.700110.6
99S29.1Very low30.5Very low113 Ų113169.2 Ų169.279%0.7983%0.825SS**  trans-140152.3-173.950.90000111.2
100R31.1Very low30.1Very low253 Ų253172.7 Ų172.796%0.95583%0.828SS**  trans-154.5149150.6-108.4168-171.6-167.70.7108.8
101E29.4Very low29.8Very low157 Ų157169.8 Ų169.873%0.73482%0.818SS**  trans-104.5149.7-163.3-89.7-17096.900114.9
102R28.1Very low29.4Very low195 Ų195175 Ų17574%0.73682%0.823SS**  trans35.1130.2140.8-69175.1151.4146-13.1120.6
103K28.4Very low29Very low209 Ų209168.1 Ų168.191%0.90981%0.809SS**  -141.6135.2109.3-134.8176.7-176.7-176.90110.3
104D28.5Very low28.5Very low130 Ų130164.3 Ų164.370%0.69581%0.807SS**  trans-85.7143172.6-72.2-73.1000110.3
105D29.7Very low28.2Very low162 Ų162159.8 Ų159.887%0.86680%0.8SS**  trans-154.2159.9142.9-132.9-36.7000112.8
106K27.9Very low27.7Very low185 Ų185161.1 Ų161.180%0.80480%0.804SS**  trans-109.3131.4-161.6-60.8165.2179.3164.60113.9
107K25.2Very low27.3Very low195 Ų195164.3 Ų164.385%0.84881%0.812SS**  164.7161.4115-94.5169.9178.6171.60115.7
108K26.7Very low26.9Very low204 Ų204166.8 Ų166.889%0.88782%0.816SS**  trans7299.4161.5-75.4-176.7178.3-175.80118.2
109T23.5Very low26.4Very low131 Ų131166.5 Ų166.580%0.80481%0.812SS**  trans-64.5124.9165-39.80000112.6
110I29Very low26.2Very low167 Ų167169.5 Ų169.586%0.85682%0.818SS**  trans-132.5137.3141.4-61.8-176.8000105.4
111Q25.3Very low25.8Very low158 Ų158164.8 Ų164.874%0.73881%0.811SS**  trans-112108.6-172-168.7171.218.400110.1
112E24.2Very low25.6Very low184 Ų184165.5 Ų165.586%0.8682%0.815SS**  trans-73.8137.9160.9-69.1-171.8128.300109.5
113T25Very low25.6Very low105 Ų105164 Ų16464%0.64482%0.822SS**  trans-126.890.8171.7-8.10000109.9L115T113-L115 PolarHBondContact O-N 2.98Å
114N23.1Very low25.5Very low160 Ų160160.4 Ų160.486%0.85681%0.812SS**  trans-54.5128.9151.9-89-68.1000108
115L25.6Very low25.5Very low147 Ų147160.7 Ų160.777%0.7782%0.819SS**  trans-128.9104.1179.1-145152.8000109.8T113T113-L115 PolarHBondContact O-N 2.98Å
116V24.8Very low25.3Very low126 Ų126164.1 Ų164.176%0.76482%0.82SS**  trans-63.5137.9-178.31740000110.4L118V116-L118 PolarHBondContact O-N 3.48Å; V116-L118 VanDerWaalsContact O-N 3.11Å
117L23.4Very low25.2Very low166 Ų166166.8 Ų166.887%0.86982%0.824SS**  trans-63.2110174.4-174.573.5000110.5
118L23.6Very low25.2Very low157 Ų157168 Ų16882%0.82283%0.825SS**  trans-71.7128.2171.1-83166.4000110.4V116V116-L118 PolarHBondContact O-N 3.48Å; V116-L118 VanDerWaalsContact O-N 3.11Å
119K23.5Very low25.2Very low193 Ų193165.4 Ų165.484%0.83982%0.821SS**  trans-63140.7166-66.6-176.5176.4-174.90109.6
120L25.2Very low25.4Very low176 Ų176161.9 Ų161.992%0.92181%0.811SS**  trans-106141.5155.9-153.177.4000108.2
121N22.9Very low25.3Very low153 Ų153163.2 Ų163.282%0.81881%0.814SS**  trans-71.2147.8-170.5-80.8-7.3000113.5
122E25.4Very low26.3Very low172 Ų172161 Ų16180%0.80481%0.813SS**  trans-61.3152.9159.5-56.8171119.700110.7
123N26.4Very low26.4Very low165 Ų165159.5 Ų159.588%0.88281%0.811SS**  trans-145.7134.1146.1-108.8-34.4000109.9
124N27.1Very low26.3Very low133 Ų133159.2 Ų159.271%0.71181%0.813SS**  trans-72.1162.5177.4-81.2-73.1000109.9
125T27.5Very low26.5Very low135 Ų135158.5 Ų158.583%0.82882%0.815SS**  cis-152.1155.848.938.90000115.8
126R27Very low26.4Very low235 Ų235159.5 Ų159.589%0.88782%0.816SS**  trans-70.4147.2162-56.8170.2178.5169-3110.5
127R25.2Very low26.4Very low240 Ų240164.7 Ų164.791%0.90682%0.821SS**  trans-153135.5136.2-113.5175.4-170.9-175.81.9110.4
128Y25.1Very low26.4Very low221 Ų221163 Ų16387%0.86781%0.813SS**  trans-139.5121176.9-175.2-76.6000105.2
129N26.6Very low26.4Very low149 Ų149162.6 Ų162.680%0.79781%0.812SS**  trans-125.7136.9173.8-79.835.4000107.1
130G27.9Very low26.4Very low58 Ų58157.1 Ų157.160%0.59880%0.803SS**  trans-124144.8168.400000110.2
131E27.2Very low26.3Very low194 Ų194154.6 Ų154.691%0.90780%0.8SS**  trans64.5164.3149.6-62-179.4176.100119.5
132P45.9Very low26.3Very low111 Ų111153.4 Ų153.472%0.72180%0.802SS**  cis-113.5-179.8-2338.2-25.4000111
133D25.4Very low26.3Very low154 Ų154154.4 Ų154.482%0.82480%0.804SS**  -174.9165.5107.8-129.3-33000113.2
134S24.5Very low26.2Very low98 Ų98154.6 Ų154.669%0.68580%0.803SS**  trans-138.9129178.959.80000112.6
135T25.7Very low25.9Very low145 Ų145154.7 Ų154.789%0.8980%0.803SS**  trans-160.3161.3152.2-8.20000112.7
136E24.8Very low25.8Very low169 Ų169155.6 Ų155.679%0.7980%0.797SS**  trans-92.2155.7-173.8-46160.9123.300112
137R23.8Very low25.6Very low234 Ų234150.5 Ų150.588%0.88378%0.784SS**  -173164.4108-105.7179.3174.3-174.6-3.4114.9
138N24.5Very low25.4Very low131 Ų131146.7 Ų146.770%0.70177%0.774SS**  trans-72.3174-175.6-45.1-30.1000110.8
139D23.5Very low25.2Very low149 Ų149145.9 Ų145.980%0.79778%0.775SS**  -162.5159.454.1-110.1-45.1000118.5
140A23.6Very low25.1Very low78 Ų78147.7 Ų147.765%0.64578%0.776SS**  trans38.2110.2149.200000123.1
141S23.1Very low25.4Very low123 Ų123149.7 Ų149.786%0.8678%0.779SS**  54126.2115.8-56.80000122.9
142C22.7Very low25.2Very low128 Ų128147.1 Ų147.187%0.86577%0.771SS**  -156.4158.4114.8-145.90000113.5
143K23.9Very low24.3Very low193 Ų193149.2 Ų149.284%0.83978%0.775SS**  trans-131.1142.9172-81.5-177.3175.8178.50109.3
144I25Very low24.2Very low169 Ų169151.2 Ų151.287%0.86778%0.78SS**  trans174.2131.8150.2-90.9146.9000105.1
145L21.8Very low24.3Very low135 Ų135156.3 Ų156.371%0.70779%0.789SS**  cis112.3104.49.2-163.7142.6000113
146E23.9Very low24.3Very low153 Ų153157.8 Ų157.872%0.71579%0.786SS**  trans65.5157.7165.8-62.6-165.912800117.2
147Q22.8Very low24.4Very low128 Ų128161.4 Ų161.460%0.59879%0.793SS**  cis-159.4174.8-12.3-114.1-178.347.300105.6
148K22.3Very low24.6Very low160 Ų160155.5 Ų155.570%0.69678%0.782SS**  cis-163.5146.14.5-140.2176.5-167.2129.40108.1
149F20.4Very low24.8Very low204 Ų204157 Ų15790%0.89579%0.79SS**  trans157.3155.4140.6-103.8-88.9000113.1
150K24.1Very low25Very low187 Ų187156.8 Ų156.881%0.81379%0.789SS**  trans-134.5172.3175.7-99.6-168.2174.3-168.20108
151P35.6Very low25.3Very low101 Ų101161.8 Ų161.866%0.65680%0.799SS**  cis-116.81783.240.4-24.7000112.6
152D22.6Very low25.5Very low140 Ų140164.9 Ų164.975%0.74979%0.792SS**  -177164.379.1-111.6-24000114.7
153L26Very low25.7Very low155 Ų155163.8 Ų163.881%0.81279%0.787SS**  trans41.197.5170.4-79.784000119
154E24.7Very low26Very low196 Ų196162.8 Ų162.892%0.91679%0.789SS**  trans-73.8147.3153.3-69.3177.911700110.9
155K25.8Very low26.2Very low204 Ų204163.4 Ų163.489%0.88779%0.788SS**  trans-123.797.4174-137.5175.5-169.21750110.3
156E25.6Very low26.6Very low177 Ų177162.4 Ų162.483%0.82779%0.79SS**  trans-62.2141.6-176.7-158.7172.6-164.800111.9
157R26.1Very low26.8Very low245 Ų245166.7 Ų166.793%0.92580%0.799SS**  trans-104.886.3171.1-77.2-170.8178.7-179.21.4109.7
158V27.7Very low27.3Very low109 Ų109170.3 Ų170.366%0.66181%0.813SS**  trans-61.5142.4168.4-179.50000109.6
159L29.4Very low27.8Very low163 Ų163169.7 Ų169.785%0.85381%0.813SS**  trans-118.199.5-179.1-155.5165.5000107.5Q161L159-Q161 PolarHBondContact O-N 3.47Å
160D28.3Very low28.5Very low145 Ų145169 Ų16978%0.77581%0.813SS**PPolyproline II helixtrans-58.9130.2-163-77-36.4000114.4
161Q29.1Very low28.9Very low183 Ų183169 Ų16986%0.85581%0.813SS**PPolyproline II helixtrans-103.3121.9-176.9-171.8174.24.800110L159 S163L159-Q161 PolarHBondContact O-N 3.47Å; Q161-S163 PolarHBondContact O-N 2.93Å
162Y27.2Very low28.7Very low187 Ų187170.5 Ų170.573%0.73381%0.808SS**PPolyproline II helixtrans-69.3122.4176.8-78.8-95.8000110.7
163S27.7Very low29.1Very low106 Ų106173 Ų17374%0.74181%0.813SS**PPolyproline II helixtrans-88.5124.5-177.238.60000112.5Q161Q161-S163 PolarHBondContact O-N 2.93Å
164L29.1Very low29.4Very low171 Ų171173.7 Ų173.790%0.89581%0.812SS**PPolyproline II helixtrans-97.1121165.7-68.8169.9000108.4
165H29.6Very low29.9Very low182 Ų182170.4 Ų170.484%0.84380%0.797SS**PPolyproline II helixtrans-85.2127.3-178.8-110.5-66.3000112.3
166P30.8Very low30.3Very low114 Ų114165.4 Ų165.474%0.7478%0.779SS**PPolyproline II helixtrans-71.4145172.9-17.131.4000112.4
167R27.4Very low30.5Very low243 Ų243167 Ų16792%0.91778%0.778SS**PPolyproline II helixtrans-80.3135.7168.6-171173.5-179.2168.7-0.3109.5E169R167-E169 PolarHBondContact O-N 2.93Å
168K33.6Very low30.7Very low205 Ų205159.1 Ų159.189%0.89176%0.761SS**  trans-42.1129.7-172-68.4-175.9173.5-1720114.5
169E34.3Very low30.9Very low146 Ų146160.1 Ų160.168%0.68276%0.759SS**  trans-89.3118.3168.8-60.5-164.2121.900110.5R167 K172R167-E169 PolarHBondContact O-N 2.93Å; E169-K172 IonicContact OE1-NZ 2.66Å
170E33.9Very low31Very low191 Ų191161 Ų16189%0.89376%0.755SS**SBendtrans-158.9-17.4162.8-127.3161.2-157.600115
171K32Very low31Very low187 Ų187162.6 Ų162.681%0.81376%0.756SS**SBendtrans-96.4-4.3173.8-74.7-164.1167.8-166.30115.8K173K171-K173 PolarHBondContact O-N 3.41Å
172K32.8Very low31.1Very low131 Ų131160.3 Ų160.357%0.5775%0.748SS**THydrogen-bonded Turntrans-77.815.4-160.9-148.6-178.3-179.3-176.70116.2E169 I176E169-K172 IonicContact OE1-NZ 2.66Å; K172-I176 WeakPolarHBondContact O-CD1 3.47Å; K172-I176 WeakPolarHBondContact O-CG1 3.36Å
173K31.3Very low31.3Very low193 Ų193159.8 Ų159.884%0.83975%0.75SS**THydrogen-bonded Turntrans-103.6-21.6-177.8-80.2-174.9175.6176.70114.8K171K171-K173 PolarHBondContact O-N 3.41Å
174E31.8Very low31.7Very low170 Ų170162.7 Ų162.779%0.79475%0.751SS**THydrogen-bonded Turntrans-93.1-36.3-177.4-63.6-178.5143.100112.3I176 Y177E174-I176 VanDerWaalsContact C-N 3.28Å; E174-I176 PolarHBondContact O-N 3.34Å; E174-Y177 PolarHBondContact O-N 3.37Å
175E34.2Very low32Very low127 Ų127160.1 Ų160.159%0.59374%0.743SS**THydrogen-bonded Turntrans-64.3-29.4179.4-66.3174.5146.400113.1Y177 S178 E179E175-Y177 PolarHBondContact O-N 2.86Å; E175-Y177 VanDerWaalsContact O-N 3.13Å; E175-S178 PolarHBondContact O-N 3.45Å; E175-E179 PolarHBondContact O-N 2.96Å
176I33.8Very low32.1Very low99 Ų99157.1 Ų157.151%0.50874%0.737SS.*Hα-helixtrans-58.6-27.1178.9-67.1178.5000112.4K172 E174K172-I176 WeakPolarHBondContact O-CD1 3.47Å; K172-I176 WeakPolarHBondContact O-CG1 3.36Å; E174-I176 VanDerWaalsContact C-N 3.28Å; E174-I176 PolarHBondContact O-N 3.34Å
177Y31.5Very low32.1Very low209 Ų209160 Ų16082%0.8274%0.738SS**Hα-helixtrans-82.5-17.6176-113.8-80.9000113.8E174 E175E174-Y177 PolarHBondContact O-N 3.37Å; E175-Y177 PolarHBondContact O-N 2.86Å; E175-Y177 VanDerWaalsContact O-N 3.13Å
178S29.8Very low32.2Very low81 Ų81153.2 Ų153.257%0.56672%0.723SS**Hα-helixtrans-92.4-43.1175.6-71.50000112.8E175 K180 K181E175-S178 PolarHBondContact O-N 3.45Å; S178-K180 PolarHBondContact O-N 3.34Å; S178-K180 VanDerWaalsContact O-N 3.12Å; S178-K181 PolarHBondContact O-N 3.27Å
179E31.9Very low32.2Very low130 Ų130150.6 Ų150.661%0.60772%0.718SS**Hα-helixtrans-57.7-30.1177.2-73.9-166.9122.200112.3E175 K181 I182E175-E179 PolarHBondContact O-N 2.96Å; E179-K181 PolarHBondContact O-N 3.42Å; E179-K181 VanDerWaalsContact O-N 3.08Å; E179-I182 PolarHBondContact O-N 2.81Å
180K30.6Very low32.3Very low180 Ų180151.6 Ų151.678%0.78372%0.722SS**THydrogen-bonded Turntrans-65.4-9.1178.4-132.1178.1-174.3-179.30115S178S178-K180 PolarHBondContact O-N 3.34Å; S178-K180 VanDerWaalsContact O-N 3.12Å
181K29.9Very low32.6Very low180 Ų180151.4 Ų151.478%0.78372%0.719SS**THydrogen-bonded Turntrans-102.2-8169.1-85.9-170.2171.5-174.30114.4S178 E179S178-K181 PolarHBondContact O-N 3.27Å; E179-K181 PolarHBondContact O-N 3.42Å; E179-K181 VanDerWaalsContact O-N 3.08Å
182I30Very low33.3Very low134 Ų134146.8 Ų146.869%0.68771%0.708SS**THydrogen-bonded Turntrans-93.7-9.1-177-60.5177.1000111.5E179 E184E179-I182 PolarHBondContact O-N 2.81Å; I182-E184 PolarHBondContact O-N 3.34Å
183F32Very low34.2Very low177 Ų177141.7 Ų141.778%0.77669%0.689SS**  trans-76.626.1170.7-102.5-84.9000114.9
184E36.3Very low35.5Very low167 Ų167143.7 Ų143.778%0.7869%0.691SS**SBendtrans-86.4118.4163.4-74.6-165.3145.200110.8I182I182-E184 PolarHBondContact O-N 3.34Å
185T35Very low37Very low117 Ų117142.5 Ų142.572%0.71868%0.683SS**  trans5672.7167.9-38.20000115.7K187T185-K187 VanDerWaalsContact C-N 3.27Å; T185-K187 HydrophobicContact CG2-CG 4.07Å; T185-K187 PolarHBondContact O-N 2.98Å
186V30.7Very low38.7Very low119 Ų119137.4 Ų137.472%0.72166%0.661SS**  trans-59.798.2149.5177.40000107.1T188V186-T188 PolarHBondContact O-N 3.04Å; V186-T188 VanDerWaalsContact O-N 3.11Å
187K31.8Very low40.1Very low175 Ų175142.1 Ų142.176%0.76168%0.678SS**  trans-59.4117.2175.8-76.9-174.1174-177.10108.7T185 I189T185-K187 VanDerWaalsContact C-N 3.27Å; T185-K187 HydrophobicContact CG2-CG 4.07Å; T185-K187 PolarHBondContact O-N 2.98Å; K187-I189 PolarHBondContact O-N 3.19Å
188T29.6Very low42.1Very low99 Ų99136.7 Ų136.761%0.60766%0.66SS**  trans-50.1126.2165.5-51.80000107.9V186 E190V186-T188 PolarHBondContact O-N 3.04Å; V186-T188 VanDerWaalsContact O-N 3.11Å; T188-E190 PolarHBondContact O-N 3.45Å
189I34.2Very low44.4Very low150 Ų150135.8 Ų135.877%0.76965%0.648SS**  trans-72.690.7172.3-60.2177000106.8K187 K191K187-I189 PolarHBondContact O-N 3.19Å; I189-K191 PolarHBondContact O-N 3.47Å
190E36.1Very low46.7Very low167 Ų167131.6 Ų131.678%0.7863%0.628SS**  trans-53105.8170.4-71.5169.1-173.500108.4T188 P192T188-E190 PolarHBondContact O-N 3.45Å; E190-P192 WeakPolarHBondContact O-CD 3.32Å
191K40.4Very low49.1Very low188 Ų188125.1 Ų125.182%0.81760%0.6SS**  trans-83.7105.7164.9-80.7177.9176.9168.40106.1I189I189-K191 PolarHBondContact O-N 3.47Å
192P45.5Very low51.4Low90 Ų90119.8 Ų119.858%0.58460%0.597SS**  trans-58.4147.4178.724.7-34.6000110.1E190 R194E190-P192 WeakPolarHBondContact O-CD 3.32Å; P192-R194 PolarHBondContact O-N 2.97Å
193S52.6Low54.1Low24 Ų24113.9 Ų113.917%0.16857%0.569CS.*  trans-57110.9179.3-178.70000109.4K195 E344 N352S193-K195 PolarHBondContact O-N 3.46Å; S193-E344 VanDerWaalsContact CB-O 3.27Å; S193-E344 WeakPolarHBondContact CB-O 3.25Å; S193-N352 PolarHBondContact OG-ND2 2.87Å; S193-N352 VanDerWaalsContact OG-ND2 3.15Å
194R58.4Low56.7Low235 Ų235111.8 Ų111.889%0.88756%0.556SS**  trans-69.3105.8-178.1-79.3-174.7170.5-172.1-3.1108.8P192 T196P192-R194 PolarHBondContact O-N 2.97Å; R194-T196 PolarHBondContact O-N 2.9Å
195K63.4Low59.1Low144 Ų144110.7 Ų110.763%0.62655%0.554SS**  trans-40.8131.2178.2-62.2-164.7177-166.10112.4S193 K197 N352S193-K195 PolarHBondContact O-N 3.46Å; K195-K197 PolarHBondContact O-N 2.84Å; K195-N352 CarbonylContact C-O 3.29Å; K195-N352 VanDerWaalsContact CA-O 3.28Å; K195-N352 WeakPolarHBondContact CA-O 3.31Å
196T68.3Low61.6Low21 Ų21106 Ų10613%0.12953%0.529CS..  trans-64.6116.2-169.8-44.60000110.4R194 E198 P349 N352R194-T196 PolarHBondContact O-N 2.9Å; T196-E198 WeakPolarHBondContact CG2-O 3.25Å; T196-P349 PolarHBondContact OG1-O 3.38Å; T196-N352 PolarHBondContact N-O 3.38Å; T196-N352 VanDerWaalsContact OG1-C 3.3Å; T196-N352 PolarHBondContact OG1-N 3.47Å; T196-N352 VanDerWaalsContact OG1-N 3.14Å; T196-N352 PolarHBondContact OG1-O 3.16Å
197K63.6Low64.4Low198 Ų198100.4 Ų100.486%0.86150%0.495SS*.  trans-98.3-27.8179.6-69.9-167.7175.1-1700114.2K195K195-K197 PolarHBondContact O-N 2.84Å
198E73.2Confident67.2Low94 Ų9497.3 Ų97.344%0.43948%0.482SS..SBendtrans-99.3111.2177.5-68.9148.811000106.7T196 H581 K585T196-E198 WeakPolarHBondContact CG2-O 3.25Å; E198-H581 IonicContact OE1-CE1 3.94Å; E198-H581 PolarHBondContact OE1-CE1 3.29Å; E198-H581 IonicContact OE1-NE2 3.13Å; E198-H581 PolarHBondContact OE1-NE2 2.92Å; E198-H581 IonicContact OE2-NE2 3.89Å; E198-H581 PolarHBondContact OE2-NE2 2.82Å; E198-K585 IonicContact OE1-NZ 3.2Å; E198-K585 PolarHBondContact OE1-NZ 2.87Å; E198-K585 IonicContact OE2-NZ 2.92Å; E198-K585 PolarHBondContact OE2-NZ 2.93Å
199L79.9Confident70.2Confident62 Ų6295.1 Ų95.133%0.32547%0.474SS..  trans-92.9132.9179.1-56.5180000110.1R204 Y355 Y358L199-R204 HydrophobicContact CD1-CG 4.25Å; L199-Y355 HydrophobicContact CD1-CD2 4.39Å; L199-Y355 HydrophobicContact CD1-CE2 4.39Å; L199-Y358 HydrophobicContact CB-CE2 3.89Å; L199-Y358 HydrophobicContact CD2-CD1 4.12Å; L199-Y358 HydrophobicContact CD2-CD2 4.38Å; L199-Y358 HydrophobicContact CD2-CE1 3.8Å; L199-Y358 HydrophobicContact CD2-CE2 4.09Å; L199-Y358 HydrophobicContact CD2-CG 4.41Å; L199-Y358 HydrophobicContact CG-CE2 4.49Å
200E80.3Confident72.9Confident42 Ų4290.7 Ų90.720%0.19645%0.451CS..  trans-94.2-177.7-180-60.6-176.9123.300111.1G202 G203 Y358 R578E200-G202 PolarHBondContact O-N 2.92Å; E200-G203 WeakPolarHBondContact O-CA 3.32Å; E200-G203 PolarHBondContact O-N 3.43Å; E200-Y358 PolarHBondContact N-OH 3.47Å; E200-R578 VanDerWaalsContact CD-NE 3.34Å; E200-R578 IonicContact OE1-CZ 3.24Å; E200-R578 IonicContact OE1-NE 2.92Å; E200-R578 PolarHBondContact OE1-NE 3.48Å; E200-R578 IonicContact OE1-NH2 2.73Å; E200-R578 PolarHBondContact OE1-NH2 2.99Å; E200-R578 IonicContact OE2-CZ 3.65Å; E200-R578 IonicContact OE2-NE 2.67Å; E200-R578 PolarHBondContact OE2-NE 3.27Å; E200-R578 IonicContact OE2-NH2 2.69Å; E200-R578 PolarHBondContact OE2-NH2 2.84Å
201F80.3Confident75.6Confident44 Ų4483.4 Ų83.419%0.19342%0.417CS..THydrogen-bonded Turntrans52.234173-54.5-81.3000115.6G203 G206 T207 F361 M447 H574F201-G203 VanDerWaalsContact C-N 3.31Å; F201-G203 PolarHBondContact O-N 2.92Å; F201-G206 CarbonylContact O-C 3.55Å; F201-G206 VanDerWaalsContact O-CA 3.3Å; F201-G206 WeakPolarHBondContact O-CA 3.46Å; F201-T207 HydrophobicContact CB-CG2 3.97Å; F201-T207 PolarHBondContact O-N 3.01Å; F201-F361 HydrophobicContact CB-CE1 4.26Å; F201-F361 HydrophobicContact CD1-CE1 4.36Å; F201-F361 HydrophobicContact CD2-CE1 4.24Å; F201-F361 HydrophobicContact CG-CE1 4.02Å; F201-M447 HydrophobicContact CD1-SD 4.32Å; F201-M447 HydrophobicContact CD2-SD 4.41Å; F201-M447 HydrophobicContact CE1-SD 3.61Å; F201-M447 HydrophobicContact CE2-CE 4.33Å; F201-M447 HydrophobicContact CE2-SD 3.74Å; F201-M447 HydrophobicContact CZ-CE 3.99Å; F201-M447 HydrophobicContact CZ-SD 3.29Å; F201-M447 WeakPolarHBondContact CZ-SD 3.34Å; F201-H574 AromaticContact CD1-CE1 3.91Å; F201-H574 AromaticContact CE1-CE1 3.47Å; F201-H574 VanDerWaalsContact CE1-CE1 3.47Å; F201-H574 WeakPolarHBondContact CE1-CE1 3.31Å; F201-H574 AromaticContact CZ-CE1 3.83Å
202G77.8Confident78.1Confident69 Ų6980.5 Ų80.571%0.71140%0.404SS*.THydrogen-bonded Turntrans75.914.6-17700000114.6E200 G206E200-G202 PolarHBondContact O-N 2.92Å; G202-G206 PolarHBondContact O-N 3.02Å
203G86Confident80.3Confident10 Ų1082 Ų8210%0.10340%0.402CS..Hα-helixtrans61.8-155.3-177.900000112.8E200 F201 I205 G206 T207E200-G203 WeakPolarHBondContact O-CA 3.32Å; E200-G203 PolarHBondContact O-N 3.43Å; F201-G203 VanDerWaalsContact C-N 3.31Å; F201-G203 PolarHBondContact O-N 2.92Å; G203-I205 VanDerWaalsContact C-N 3.27Å; G203-I205 PolarHBondContact O-N 2.86Å; G203-I205 VanDerWaalsContact O-N 3.15Å; G203-G206 PolarHBondContact O-N 2.8Å; G203-G206 VanDerWaalsContact O-N 3.14Å; G203-T207 PolarHBondContact O-N 3.07Å; G203-T207 PolarHBondContact O-OG1 3.32Å
204R86.8Confident82.3Confident133 Ų13381.9 Ų81.950%0.50240%0.399SS..Hα-helixtrans-56-37-169.8-48.7-175.4-155.9142.74.5114.2L199 T207 F208 Y355L199-R204 HydrophobicContact CD1-CG 4.25Å; R204-T207 PolarHBondContact O-OG1 3.21Å; R204-F208 VanDerWaalsContact O-CB 3.32Å; R204-F208 WeakPolarHBondContact O-CB 3.47Å; R204-F208 PolarHBondContact O-N 3.39Å; R204-F208 VanDerWaalsContact O-N 3.16Å; R204-Y355 HydrophobicContact CG-CD2 4.26Å; R204-Y355 HydrophobicContact CG-CG 4.21Å; R204-Y355 VanDerWaalsContact NE-CD1 3.32Å; R204-Y355 VanDerWaalsContact NE-CE1 3.34Å; R204-Y355 PolarHBondContact NH2-OH 3.16Å
205I87.9Confident83.9Confident144 Ų14472.6 Ų72.674%0.73837%0.369SS*.Hα-helixtrans-77.5-42.5-178.6-59175.6000110.1G203 F208 A209G203-I205 VanDerWaalsContact C-N 3.27Å; G203-I205 PolarHBondContact O-N 2.86Å; G203-I205 VanDerWaalsContact O-N 3.15Å; I205-F208 PolarHBondContact O-N 3.02Å; I205-A209 WeakPolarHBondContact O-CB 3.49Å; I205-A209 PolarHBondContact O-N 2.98Å
206G87.8Confident85.2Confident19 Ų1968.3 Ų68.320%0.19636%0.361CS..Hα-helixtrans-62-49.4175.200000112.2F201 G202 G203 F208 A209 M210F201-G206 CarbonylContact O-C 3.55Å; F201-G206 VanDerWaalsContact O-CA 3.3Å; F201-G206 WeakPolarHBondContact O-CA 3.46Å; G202-G206 PolarHBondContact O-N 3.02Å; G203-G206 PolarHBondContact O-N 2.8Å; G203-G206 VanDerWaalsContact O-N 3.14Å; G206-F208 VanDerWaalsContact C-N 3.33Å; G206-F208 PolarHBondContact O-N 3.45Å; G206-A209 PolarHBondContact O-N 3.18Å; G206-M210 WeakPolarHBondContact O-CB 3.3Å; G206-M210 VanDerWaalsContact O-CG 3.22Å; G206-M210 WeakPolarHBondContact O-CG 3.36Å; G206-M210 PolarHBondContact O-N 3.03Å
207T88.8Confident86.4Confident0 Ų068.1 Ų68.10%036%0.36CS..Hα-helixtrans-62.3-38.3176.856.60000112.6F201 G203 R204 M210 I211 Y358 F361F201-T207 HydrophobicContact CB-CG2 3.97Å; F201-T207 PolarHBondContact O-N 3.01Å; G203-T207 PolarHBondContact O-N 3.07Å; G203-T207 PolarHBondContact O-OG1 3.32Å; R204-T207 PolarHBondContact O-OG1 3.21Å; T207-M210 PolarHBondContact O-N 3.23Å; T207-I211 WeakPolarHBondContact O-CG1 3.35Å; T207-I211 PolarHBondContact O-N 3.47Å; T207-Y358 HydrophobicContact CG2-CD2 3.5Å; T207-Y358 VanDerWaalsContact CG2-CD2 3.5Å; T207-Y358 HydrophobicContact CG2-CE2 3.93Å; T207-Y358 HydrophobicContact CG2-CG 4.4Å; T207-F361 HydrophobicContact CG2-CB 4.19Å; T207-F361 HydrophobicContact CG2-CD1 3.48Å; T207-F361 VanDerWaalsContact CG2-CD1 3.48Å; T207-F361 HydrophobicContact CG2-CE1 4.06Å; T207-F361 HydrophobicContact CG2-CG 3.95Å
208F90.9Very high87.7Confident111 Ų11159 Ų5949%0.48732%0.32SS..Hα-helixtrans-60.9-47.7173.7-178-102.8000112R204 I205 G206 M210 I211 F212 V357R204-F208 VanDerWaalsContact O-CB 3.32Å; R204-F208 WeakPolarHBondContact O-CB 3.47Å; R204-F208 PolarHBondContact O-N 3.39Å; R204-F208 VanDerWaalsContact O-N 3.16Å; I205-F208 PolarHBondContact O-N 3.02Å; G206-F208 VanDerWaalsContact C-N 3.33Å; G206-F208 PolarHBondContact O-N 3.45Å; F208-M210 PolarHBondContact O-N 2.96Å; F208-I211 PolarHBondContact O-N 3.44Å; F208-F212 HydrophobicContact CD2-CE2 4.35Å; F208-F212 HydrophobicContact CE1-CE2 4.19Å; F208-F212 AromaticContact CE2-CE2 3.83Å; F208-F212 HydrophobicContact CE2-CE2 3.83Å; F208-F212 AromaticContact CZ-CE2 3.74Å; F208-F212 HydrophobicContact CZ-CE2 3.74Å; F208-F212 HydrophobicContact CZ-CZ 4.48Å; F208-F212 WeakPolarHBondContact O-CD2 3.31Å; F208-V357 HydrophobicContact CB-CG1 3.89Å; F208-V357 HydrophobicContact CD2-CG1 3.95Å; F208-V357 HydrophobicContact CG-CG1 4.44Å
209A92.3Very high88.6Confident53 Ų5356.8 Ų56.844%0.43831%0.309SS..Hα-helixtrans-63.3-40.6178.200000112I205 G206 I211 F212 F213I205-A209 WeakPolarHBondContact O-CB 3.49Å; I205-A209 PolarHBondContact O-N 2.98Å; G206-A209 PolarHBondContact O-N 3.18Å; A209-I211 VanDerWaalsContact C-N 3.29Å; A209-I211 PolarHBondContact O-N 3.42Å; A209-F212 PolarHBondContact O-N 2.84Å; A209-F213 VanDerWaalsContact O-CB 3.27Å; A209-F213 WeakPolarHBondContact O-CB 3.46Å; A209-F213 PolarHBondContact O-N 3.07Å
210M91.3Very high89Confident57 Ų5757.3 Ų57.328%0.28131%0.308SS..Hα-helixtrans-63.6-29.7-179.3-71-65.5-75.900113.6G206 T207 F208 F212 F213 L214 F361G206-M210 WeakPolarHBondContact O-CB 3.3Å; G206-M210 VanDerWaalsContact O-CG 3.22Å; G206-M210 WeakPolarHBondContact O-CG 3.36Å; G206-M210 PolarHBondContact O-N 3.03Å; T207-M210 PolarHBondContact O-N 3.23Å; F208-M210 PolarHBondContact O-N 2.96Å; M210-F212 PolarHBondContact O-N 3.34Å; M210-F213 HydrophobicContact SD-CD1 3.93Å; M210-L214 HydrophobicContact CE-CD1 4.04Å; M210-L214 HydrophobicContact CE-CD2 3.77Å; M210-L214 HydrophobicContact CE-CG 3.86Å; M210-L214 WeakPolarHBondContact O-CB 3.45Å; M210-L214 WeakPolarHBondContact O-CG 3.45Å; M210-L214 PolarHBondContact O-N 3.19Å; M210-F361 HydrophobicContact CB-CD2 4.48Å; M210-F361 HydrophobicContact CB-CE2 3.62Å; M210-F361 HydrophobicContact CB-CZ 3.8Å; M210-F361 HydrophobicContact CG-CZ 4.46Å
211I92.4Very high89.5Confident14 Ų1455.7 Ų55.77%0.07230%0.3CS..Hα-helixtrans-59.3-34.8175.3-69.1164.5000111.8T207 F208 A209 P215 M329 V357 F360 F361 F446T207-I211 WeakPolarHBondContact O-CG1 3.35Å; T207-I211 PolarHBondContact O-N 3.47Å; F208-I211 PolarHBondContact O-N 3.44Å; A209-I211 VanDerWaalsContact C-N 3.29Å; A209-I211 PolarHBondContact O-N 3.42Å; I211-P215 WeakPolarHBondContact O-CD 3.45Å; I211-P215 WeakPolarHBondContact O-CG 3.41Å; I211-M329 HydrophobicContact CG2-CE 4.06Å; I211-V357 HydrophobicContact CD1-CG1 3.88Å; I211-F360 HydrophobicContact CD1-CD1 3.96Å; I211-F360 HydrophobicContact CD1-CE1 4.17Å; I211-F361 HydrophobicContact CG1-CD2 3.82Å; I211-F446 HydrophobicContact CB-CE1 4.4Å; I211-F446 HydrophobicContact CG1-CD1 4.09Å; I211-F446 HydrophobicContact CG1-CE1 4.38Å; I211-F446 HydrophobicContact CG2-CE1 4.4Å
212F92.6Very high89.9Confident127 Ų12753.8 Ų53.856%0.55729%0.292SS*.Hα-helixtrans-96.3-37.2178.5-58.6-80.3000112.5F208 A209 M210 L214 P215 A216F208-F212 HydrophobicContact CD2-CE2 4.35Å; F208-F212 HydrophobicContact CE1-CE2 4.19Å; F208-F212 AromaticContact CE2-CE2 3.83Å; F208-F212 HydrophobicContact CE2-CE2 3.83Å; F208-F212 AromaticContact CZ-CE2 3.74Å; F208-F212 HydrophobicContact CZ-CE2 3.74Å; F208-F212 HydrophobicContact CZ-CZ 4.48Å; F208-F212 WeakPolarHBondContact O-CD2 3.31Å; A209-F212 PolarHBondContact O-N 2.84Å; M210-F212 PolarHBondContact O-N 3.34Å; F212-L214 PolarHBondContact O-N 2.91Å; F212-P215 WeakPolarHBondContact O-CD 3.3Å; F212-A216 VanDerWaalsContact O-CB 3.29Å; F212-A216 WeakPolarHBondContact O-CB 3.5Å; F212-A216 PolarHBondContact O-N 3.45Å; F212-A216 VanDerWaalsContact O-N 3.08Å
213F92.9Very high90.3Very high122 Ų12251.4 Ų51.454%0.53526%0.263SS..Hα-helixtrans-66.3-36-178.1179.9-100.8000113A209 M210 T217A209-F213 VanDerWaalsContact O-CB 3.27Å; A209-F213 WeakPolarHBondContact O-CB 3.46Å; A209-F213 PolarHBondContact O-N 3.07Å; M210-F213 HydrophobicContact SD-CD1 3.93Å; F213-T217 WeakPolarHBondContact CZ-OG1 3.31Å; F213-T217 VanDerWaalsContact O-CB 3.29Å; F213-T217 WeakPolarHBondContact O-CB 3.48Å; F213-T217 PolarHBondContact O-N 3.46Å; F213-T217 PolarHBondContact O-OG1 3.39Å
214L92.8Very high90.3Very high21 Ų2150.9 Ų50.911%0.1126%0.258CS..Hα-helixtrans-65.5-53.9178.4-71.8172.2000112M210 F212 A216 T217 V218 F361 F450 W455M210-L214 HydrophobicContact CE-CD1 4.04Å; M210-L214 HydrophobicContact CE-CD2 3.77Å; M210-L214 HydrophobicContact CE-CG 3.86Å; M210-L214 WeakPolarHBondContact O-CB 3.45Å; M210-L214 WeakPolarHBondContact O-CG 3.45Å; M210-L214 PolarHBondContact O-N 3.19Å; F212-L214 PolarHBondContact O-N 2.91Å; L214-A216 PolarHBondContact O-N 2.94Å; L214-T217 PolarHBondContact O-N 2.91Å; L214-V218 WeakPolarHBondContact O-CG2 3.36Å; L214-V218 PolarHBondContact O-N 3.47Å; L214-V218 VanDerWaalsContact O-N 3.11Å; L214-F361 HydrophobicContact CD1-CE2 4.21Å; L214-F361 HydrophobicContact CD1-CZ 4.46Å; L214-F450 HydrophobicContact CB-CD1 4.03Å; L214-F450 HydrophobicContact CB-CE1 3.83Å; L214-W455 HydrophobicContact CD2-CE3 3.9Å; L214-W455 HydrophobicContact CD2-CH2 4.23Å; L214-W455 HydrophobicContact CD2-CZ3 3.56Å
215P93.3Very high90.1Very high39 Ų3944.6 Ų44.625%0.25323%0.234SC..Hα-helixtrans-55.2-45.2170.9-26.433.2000114.1I211 F212 T217 V218 F219 F446 F450I211-P215 WeakPolarHBondContact O-CD 3.45Å; I211-P215 WeakPolarHBondContact O-CG 3.41Å; F212-P215 WeakPolarHBondContact O-CD 3.3Å; P215-T217 VanDerWaalsContact C-N 3.29Å; P215-T217 PolarHBondContact O-N 3.2Å; P215-V218 PolarHBondContact O-N 2.85Å; P215-F219 WeakPolarHBondContact O-CB 3.39Å; P215-F219 PolarHBondContact O-N 3.37Å; P215-F446 HydrophobicContact CG-CZ 4.22Å; P215-F450 HydrophobicContact CB-CE2 4.3Å; P215-F450 HydrophobicContact CB-CZ 4.22Å; P215-F450 HydrophobicContact CG-CD2 4.47Å; P215-F450 HydrophobicContact CG-CE2 3.78Å; P215-F450 HydrophobicContact CG-CZ 3.93Å
216A91.4Very high89.8Confident55 Ų5543.4 Ų43.446%0.45522%0.223SC..Hα-helixtrans-62.4-37.3179.800000112.2F212 L214 Y220F212-A216 VanDerWaalsContact O-CB 3.29Å; F212-A216 WeakPolarHBondContact O-CB 3.5Å; F212-A216 PolarHBondContact O-N 3.45Å; F212-A216 VanDerWaalsContact O-N 3.08Å; L214-A216 PolarHBondContact O-N 2.94Å; A216-Y220 VanDerWaalsContact O-CB 3.23Å; A216-Y220 WeakPolarHBondContact O-CB 3.34Å; A216-Y220 PolarHBondContact O-N 2.99Å
217T91.8Very high89.4Confident17 Ų1744 Ų4410%0.10422%0.221CC..Hα-helixtrans-67.2-47.8177.1-59.80000111.3F213 L214 P215 F219 Y220 L221 W455 F563F213-T217 WeakPolarHBondContact CZ-OG1 3.31Å; F213-T217 VanDerWaalsContact O-CB 3.29Å; F213-T217 WeakPolarHBondContact O-CB 3.48Å; F213-T217 PolarHBondContact O-N 3.46Å; F213-T217 PolarHBondContact O-OG1 3.39Å; L214-T217 PolarHBondContact O-N 2.91Å; P215-T217 VanDerWaalsContact C-N 3.29Å; P215-T217 PolarHBondContact O-N 3.2Å; T217-F219 VanDerWaalsContact C-N 3.32Å; T217-F219 PolarHBondContact O-N 3.3Å; T217-Y220 PolarHBondContact O-N 3.31Å; T217-L221 HydrophobicContact CG2-CD1 3.84Å; T217-L221 HydrophobicContact CG2-CG 4.38Å; T217-L221 WeakPolarHBondContact O-CD1 3.34Å; T217-L221 WeakPolarHBondContact O-CG 3.47Å; T217-L221 PolarHBondContact O-N 3.4Å; T217-W455 HydrophobicContact CG2-CH2 3.81Å; T217-W455 HydrophobicContact CG2-CZ3 4.14Å; T217-F563 HydrophobicContact CG2-CZ 3.95Å
218V92.3Very high88.4Confident5 Ų551.7 Ų51.73%0.0326%0.263CS..Hα-helixtrans-58-47.8176.21790000110.3L214 P215 Y220 L221 L222 F450 V454 W455 F458 V459L214-V218 WeakPolarHBondContact O-CG2 3.36Å; L214-V218 PolarHBondContact O-N 3.47Å; L214-V218 VanDerWaalsContact O-N 3.11Å; P215-V218 PolarHBondContact O-N 2.85Å; V218-Y220 PolarHBondContact O-N 3.43Å; V218-L221 PolarHBondContact O-N 2.84Å; V218-L222 HydrophobicContact CG1-CD1 4.07Å; V218-L222 HydrophobicContact CG1-CG 4.46Å; V218-L222 WeakPolarHBondContact O-CG 3.45Å; V218-L222 PolarHBondContact O-N 2.89Å; V218-F450 HydrophobicContact CG2-CE1 3.97Å; V218-F450 HydrophobicContact CG2-CZ 4.03Å; V218-V454 HydrophobicContact CG1-CG1 4.36Å; V218-W455 HydrophobicContact CG2-CD2 4.47Å; V218-W455 HydrophobicContact CG2-CE3 3.62Å; V218-W455 HydrophobicContact CG2-CZ3 3.92Å; V218-F458 HydrophobicContact CG1-CB 4.22Å; V218-V459 HydrophobicContact CG1-CG2 4.35Å; V218-V459 HydrophobicContact CG2-CG2 3.79Å
219F90.4Very high87.5Confident48 Ų4849.8 Ų49.821%0.21126%0.257CS..Hα-helixtrans-61-44.9179.9-172.4-111.1000112.7P215 T217 L222 L223 L238 P239 L244 M318P215-F219 WeakPolarHBondContact O-CB 3.39Å; P215-F219 PolarHBondContact O-N 3.37Å; T217-F219 VanDerWaalsContact C-N 3.32Å; T217-F219 PolarHBondContact O-N 3.3Å; F219-L222 PolarHBondContact O-N 3.33Å; F219-L223 HydrophobicContact CD1-CD1 3.9Å; F219-L223 HydrophobicContact CE1-CD1 3.48Å; F219-L223 VanDerWaalsContact CE1-CD1 3.48Å; F219-L223 HydrophobicContact CE1-CG 4.3Å; F219-L223 HydrophobicContact CZ-CD1 3.85Å; F219-L223 HydrophobicContact CZ-CG 4.32Å; F219-L223 WeakPolarHBondContact O-CG 3.48Å; F219-L223 PolarHBondContact O-N 3.3Å; F219-L238 HydrophobicContact CE1-CD2 4.22Å; F219-P239 HydrophobicContact CZ-CG 3.89Å; F219-L244 HydrophobicContact CE2-CD1 3.81Å; F219-L244 HydrophobicContact CE2-CD2 3.66Å; F219-L244 HydrophobicContact CE2-CG 4.4Å; F219-L244 HydrophobicContact CZ-CD1 3.65Å; F219-L244 HydrophobicContact CZ-CD2 3.93Å; F219-L244 HydrophobicContact CZ-CG 4.45Å; F219-M318 HydrophobicContact CD2-CG 4.33Å; F219-M318 HydrophobicContact CD2-SD 4.33Å; F219-M318 HydrophobicContact CE2-CG 4.01Å; F219-M318 HydrophobicContact CE2-SD 3.62Å; F219-M318 HydrophobicContact CZ-SD 4.29Å
220Y89.1Confident86.6Confident74 Ų7447.3 Ų47.329%0.2924%0.237SC..Hα-helixtrans-62.9-43.8177.5179-111.9000112.8A216 T217 V218 L223 L224 P236A216-Y220 VanDerWaalsContact O-CB 3.23Å; A216-Y220 WeakPolarHBondContact O-CB 3.34Å; A216-Y220 PolarHBondContact O-N 2.99Å; T217-Y220 PolarHBondContact O-N 3.31Å; V218-Y220 PolarHBondContact O-N 3.43Å; Y220-L223 PolarHBondContact O-N 2.95Å; Y220-L224 HydrophobicContact CD1-CD1 3.96Å; Y220-L224 HydrophobicContact CE1-CD1 3.46Å; Y220-L224 VanDerWaalsContact CE1-CD1 3.46Å; Y220-L224 HydrophobicContact CE1-CG 4.3Å; Y220-L224 HydrophobicContact CE2-CD1 4.24Å; Y220-L224 HydrophobicContact CE2-CD2 4.44Å; Y220-L224 HydrophobicContact CE2-CG 4.23Å; Y220-L224 WeakPolarHBondContact O-CG 3.43Å; Y220-L224 PolarHBondContact O-N 2.69Å; Y220-P236 HydrophobicContact CD2-CG 4.36Å; Y220-P236 HydrophobicContact CE2-CG 4.37Å
221L89.9Confident85.7Confident7 Ų746.5 Ų46.54%0.03724%0.237CC..Hα-helixtrans-63.3-41.8177.5-66.8165.7000111.9T217 V218 C225 V459 L462 L560 F563T217-L221 HydrophobicContact CG2-CD1 3.84Å; T217-L221 HydrophobicContact CG2-CG 4.38Å; T217-L221 WeakPolarHBondContact O-CD1 3.34Å; T217-L221 WeakPolarHBondContact O-CG 3.47Å; T217-L221 PolarHBondContact O-N 3.4Å; V218-L221 PolarHBondContact O-N 2.84Å; L221-C225 PolarHBondContact O-N 3.01Å; L221-V459 HydrophobicContact CD1-CG1 4.24Å; L221-L462 HydrophobicContact CB-CD1 4.31Å; L221-L462 HydrophobicContact CD2-CD2 4.47Å; L221-L560 HydrophobicContact CD2-CD1 3.41Å; L221-L560 VanDerWaalsContact CD2-CD1 3.41Å; L221-F563 HydrophobicContact CD1-CD1 3.66Å; L221-F563 HydrophobicContact CD1-CE1 3.43Å; L221-F563 VanDerWaalsContact CD1-CE1 3.43Å; L221-F563 HydrophobicContact CD1-CG 4.35Å; L221-F563 HydrophobicContact CD1-CZ 3.92Å; L221-F563 HydrophobicContact CD2-CB 4.36Å; L221-F563 HydrophobicContact CD2-CD1 4.03Å; L221-F563 HydrophobicContact CD2-CD2 4.15Å; L221-F563 HydrophobicContact CD2-CE1 4.42Å; L221-F563 HydrophobicContact CD2-CG 3.89Å
222L88.8Confident84.6Confident5 Ų549.8 Ų49.83%0.02625%0.254CS..Hα-helixtrans-68.6-36.6177.3-67.5-179.5000112.5V218 F219 K226 F317 A321 F458 F465V218-L222 HydrophobicContact CG1-CD1 4.07Å; V218-L222 HydrophobicContact CG1-CG 4.46Å; V218-L222 WeakPolarHBondContact O-CG 3.45Å; V218-L222 PolarHBondContact O-N 2.89Å; F219-L222 PolarHBondContact O-N 3.33Å; L222-K226 PolarHBondContact O-N 3.47Å; L222-F317 HydrophobicContact CD2-CD1 3.96Å; L222-F317 HydrophobicContact CD2-CE1 3.51Å; L222-F317 HydrophobicContact CD2-CZ 4.48Å; L222-A321 HydrophobicContact CD1-CB 3.58Å; L222-F458 HydrophobicContact CD1-CB 4.41Å; L222-F465 HydrophobicContact CD2-CD1 3.97Å; L222-F465 HydrophobicContact CD2-CE1 3.97Å
223L87.4Confident83.3Confident18 Ų1851.5 Ų51.59%0.09427%0.268CS..Hα-helixtrans-65.3-47.2173.2-76.3179.5000111.8F219 Y220 C225 K226 P236 L238 P239 M318F219-L223 HydrophobicContact CD1-CD1 3.9Å; F219-L223 HydrophobicContact CE1-CD1 3.48Å; F219-L223 VanDerWaalsContact CE1-CD1 3.48Å; F219-L223 HydrophobicContact CE1-CG 4.3Å; F219-L223 HydrophobicContact CZ-CD1 3.85Å; F219-L223 HydrophobicContact CZ-CG 4.32Å; F219-L223 WeakPolarHBondContact O-CG 3.48Å; F219-L223 PolarHBondContact O-N 3.3Å; Y220-L223 PolarHBondContact O-N 2.95Å; L223-C225 PolarHBondContact O-N 2.82Å; L223-K226 PolarHBondContact O-N 2.9Å; L223-K226 VanDerWaalsContact O-N 3.12Å; L223-P236 HydrophobicContact CB-CB 3.86Å; L223-P236 HydrophobicContact CB-CG 3.7Å; L223-P236 HydrophobicContact CD1-CB 4.4Å; L223-P236 HydrophobicContact CD1-CG 4.18Å; L223-L238 HydrophobicContact CD1-CD2 4.44Å; L223-P239 HydrophobicContact CD2-CG 4.14Å; L223-M318 HydrophobicContact CD2-SD 3.67Å; L223-M318 HydrophobicContact CG-SD 4.37Å
224L85.4Confident82.3Confident0 Ų048.6 Ų48.60%026%0.258CS..Hα-helixtrans-57.3-46176.6-75.7174.8000111.8Y220 K226 Q227 P230 L232 N234 L560Y220-L224 HydrophobicContact CD1-CD1 3.96Å; Y220-L224 HydrophobicContact CE1-CD1 3.46Å; Y220-L224 VanDerWaalsContact CE1-CD1 3.46Å; Y220-L224 HydrophobicContact CE1-CG 4.3Å; Y220-L224 HydrophobicContact CE2-CD1 4.24Å; Y220-L224 HydrophobicContact CE2-CD2 4.44Å; Y220-L224 HydrophobicContact CE2-CG 4.23Å; Y220-L224 WeakPolarHBondContact O-CG 3.43Å; Y220-L224 PolarHBondContact O-N 2.69Å; L224-K226 PolarHBondContact O-N 3.43Å; L224-K226 VanDerWaalsContact O-N 3.12Å; L224-Q227 PolarHBondContact O-N 2.94Å; L224-P230 WeakPolarHBondContact O-CB 3.34Å; L224-L232 HydrophobicContact CD1-CD2 3.8Å; L224-N234 WeakPolarHBondContact CD2-O 3.12Å; L224-L560 HydrophobicContact CB-CD1 4.49Å; L224-L560 HydrophobicContact CB-CD2 3.71Å; L224-L560 HydrophobicContact CD1-CD1 4.21Å
225C82.9Confident81.3Confident0 Ų055.3 Ų55.30%029%0.287CS..Hα-helixtrans-62.6-16.8178.9-101.60000114.6L221 L223 L462 F465 N469 L560L221-C225 PolarHBondContact O-N 3.01Å; L223-C225 PolarHBondContact O-N 2.82Å; C225-L462 HydrophobicContact CB-CD1 4.3Å; C225-L462 WeakPolarHBondContact SG-CD1 3.39Å; C225-F465 HydrophobicContact CB-CD1 3.45Å; C225-F465 VanDerWaalsContact CB-CD1 3.45Å; C225-F465 HydrophobicContact CB-CE1 3.46Å; C225-F465 VanDerWaalsContact CB-CE1 3.46Å; C225-N469 PolarHBondContact O-ND2 3.13Å; C225-L560 HydrophobicContact CB-CD2 4.16Å; C225-L560 WeakPolarHBondContact SG-CD2 3.3Å
226K81.6Confident80.3Confident119 Ų11954.2 Ų54.252%0.51728%0.28SS..THydrogen-bonded Turntrans-92.7-2.2176.4-166.9161.2-176.8166.80113.1L222 L223 L224L222-K226 PolarHBondContact O-N 3.47Å; L223-K226 PolarHBondContact O-N 2.9Å; L223-K226 VanDerWaalsContact O-N 3.12Å; L224-K226 PolarHBondContact O-N 3.43Å; L224-K226 VanDerWaalsContact O-N 3.12Å
227Q78.4Confident79.5Confident32 Ų3256.7 Ų56.715%0.1529%0.291CS..SBendtrans-88.3151.9175.8-61.2-170.3-90.200112.5L224 D229 N234 P236 H470L224-Q227 PolarHBondContact O-N 2.94Å; Q227-D229 PolarHBondContact O-N 3.31Å; Q227-N234 PolarHBondContact NE2-ND2 2.82Å; Q227-P236 HydrophobicContact CG-CB 4.41Å; Q227-H470 PolarHBondContact O-NE2 3.45Å
228D68.9Low78.7Confident162 Ų16262.7 Ų62.787%0.86632%0.322SS*.SBendtrans-67.4-22.7173.5-48.2-68.9000112.8H470D228-H470 PolarHBondContact O-CE1 3.19Å
229D71.8Confident78.1Confident70 Ų7064.2 Ų64.237%0.37433%0.332SS..SBendtrans-12794.9167176.218.1000109.7Q227 S231 N234 H558Q227-D229 PolarHBondContact O-N 3.31Å; D229-S231 PolarHBondContact O-N 3.41Å; D229-S231 WeakPolarHBondContact OD1-CB 3.45Å; D229-S231 PolarHBondContact OD1-N 2.94Å; D229-S231 PolarHBondContact OD1-OG 3.43Å; D229-N234 PolarHBondContact O-ND2 3.29Å; D229-H558 IonicContact OD1-CE1 2.69Å; D229-H558 PolarHBondContact OD1-CE1 2.97Å; D229-H558 VanDerWaalsContact OD1-CE1 3.25Å; D229-H558 IonicContact OD1-ND1 2.65Å
230P72.5Confident77.6Confident1 Ų165.1 Ų65.11%0.00635%0.348CS..  trans-78.141179.632-35.1000112.9L224 Y466 H558 L560L224-P230 WeakPolarHBondContact O-CB 3.34Å; P230-Y466 HydrophobicContact CG-CD2 4.37Å; P230-Y466 HydrophobicContact CG-CE2 3.95Å; P230-H558 HydrophobicContact CG-CB 4.26Å; P230-L560 HydrophobicContact CB-CD2 3.84Å
231S72.7Confident76.8Confident40 Ų4068.8 Ų68.828%0.2837%0.372SS..  trans-84.1135.3177.5-72.20000112.3D229 L233 N234 H558D229-S231 PolarHBondContact O-N 3.41Å; D229-S231 WeakPolarHBondContact OD1-CB 3.45Å; D229-S231 PolarHBondContact OD1-N 2.94Å; D229-S231 PolarHBondContact OD1-OG 3.43Å; S231-L233 PolarHBondContact O-N 3.34Å; S231-N234 WeakPolarHBondContact O-CB 3.28Å; S231-N234 PolarHBondContact O-N 2.94Å; S231-H558 PolarHBondContact OG-ND1 3.17Å
232L69.3Low76.1Confident84 Ų8477 Ų7744%0.4441%0.41SS..THydrogen-bonded Turntrans-61-8.3-177.2-63.2-177.5000115.8L224 I559L224-L232 HydrophobicContact CD1-CD2 3.8Å; L232-I559 HydrophobicContact CD1-CG2 3.46Å; L232-I559 VanDerWaalsContact CD1-CG2 3.46Å; L232-I559 HydrophobicContact CG-CG2 3.73Å
233L65.9Low75.7Confident162 Ų16279.4 Ų79.485%0.84843%0.427SS*.THydrogen-bonded Turntrans-93.2-13.9176.3-62.2176.3000112.8S231S231-L233 PolarHBondContact O-N 3.34Å
234N71.8Confident75.4Confident62 Ų6279.5 Ų79.533%0.33243%0.428SS..SBendtrans-91.3114.5177.1-1674.9000108.4L224 Q227 D229 S231 P236L224-N234 WeakPolarHBondContact CD2-O 3.12Å; Q227-N234 PolarHBondContact NE2-ND2 2.82Å; D229-N234 PolarHBondContact O-ND2 3.29Å; S231-N234 WeakPolarHBondContact O-CB 3.28Å; S231-N234 PolarHBondContact O-N 2.94Å; N234-P236 WeakPolarHBondContact O-CD 3.47Å
235F71.5Confident75.6Confident161 Ų16184.1 Ų84.171%0.70645%0.445SS*.PPolyproline II helixtrans-86116.1178.3-73.9-82.8000109.3
236P71.9Confident75.9Confident17 Ų1786.5 Ų86.511%0.1146%0.456CS..PPolyproline II helixtrans-64.1140.1-179.423.4-31.9000110.8Y220 L223 Q227 N234 L238Y220-P236 HydrophobicContact CD2-CG 4.36Å; Y220-P236 HydrophobicContact CE2-CG 4.37Å; L223-P236 HydrophobicContact CB-CB 3.86Å; L223-P236 HydrophobicContact CB-CG 3.7Å; L223-P236 HydrophobicContact CD1-CB 4.4Å; L223-P236 HydrophobicContact CD1-CG 4.18Å; Q227-P236 HydrophobicContact CG-CB 4.41Å; N234-P236 WeakPolarHBondContact O-CD 3.47Å; P236-L238 PolarHBondContact O-N 3.5Å
237P74.9Confident76.4Confident107 Ų10785.7 Ų85.770%0.69546%0.462SS*.PPolyproline II helixtrans-62130.4171.827.2-33.6000109.3P239P237-P239 WeakPolarHBondContact O-CD 3.35Å
238L76.1Confident77.1Confident143 Ų14393.1 Ų93.175%0.74949%0.488SS*.PPolyproline II helixtrans-66122.4177.6-67175.4000109.4F219 L223 P236F219-L238 HydrophobicContact CE1-CD2 4.22Å; L223-L238 HydrophobicContact CD1-CD2 4.44Å; P236-L238 PolarHBondContact O-N 3.5Å
239P78.2Confident78.3Confident37 Ų3785.4 Ų85.424%0.2445%0.447CS..PPolyproline II helixtrans-67.6154.1177.230.1-37.4000111F219 L223 P237 L241 L244 M318F219-P239 HydrophobicContact CZ-CG 3.89Å; L223-P239 HydrophobicContact CD2-CG 4.14Å; P237-P239 WeakPolarHBondContact O-CD 3.35Å; P239-L241 PolarHBondContact O-N 2.86Å; P239-L244 HydrophobicContact CB-CD2 4.25Å; P239-L244 HydrophobicContact CG-CD1 4.38Å; P239-L244 HydrophobicContact CG-CD2 3.55Å; P239-L244 HydrophobicContact CG-CG 4.15Å; P239-M318 HydrophobicContact CG-CE 4.22Å; P239-M318 HydrophobicContact CG-SD 4.36Å
240A79.6Confident79.4Confident67 Ų6784.3 Ų84.355%0.55444%0.439SS*.PPolyproline II helixtrans-60138.2175.600000110.7E242 S243A240-E242 PolarHBondContact O-N 2.96Å; A240-E242 VanDerWaalsContact O-N 3.1Å; A240-S243 PolarHBondContact O-N 3.47Å; A240-S243 PolarHBondContact O-OG 2.85Å
241L74.3Confident80.5Confident150 Ų15086 Ų8679%0.78546%0.457SS*.G310 helixtrans-56.8-32-174.8-157.777.5000112.6P239 S243 L244P239-L241 PolarHBondContact O-N 2.86Å; L241-S243 VanDerWaalsContact C-N 3.33Å; L241-S243 PolarHBondContact O-N 3.48Å; L241-L244 HydrophobicContact CD1-CD1 4.39Å; L241-L244 WeakPolarHBondContact O-CB 3.19Å; L241-L244 PolarHBondContact O-N 3.37Å
242E73.4Confident81.5Confident180 Ų18087.2 Ų87.284%0.84146%0.462SS*.G310 helixtrans-66-30.9176.6-61.4179.117500113A240 L244A240-E242 PolarHBondContact O-N 2.96Å; A240-E242 VanDerWaalsContact O-N 3.1Å; E242-L244 VanDerWaalsContact C-N 3.28Å; E242-L244 PolarHBondContact O-N 3.49Å
243S80.4Confident82.8Confident55 Ų5584 Ų8439%0.38545%0.445SS..G310 helixtrans-80.1-9.1176.369.30000113.8A240 L241 Q319A240-S243 PolarHBondContact O-N 3.47Å; A240-S243 PolarHBondContact O-OG 2.85Å; L241-S243 VanDerWaalsContact C-N 3.33Å; L241-S243 PolarHBondContact O-N 3.48Å; S243-Q319 PolarHBondContact O-NE2 3Å
244L82.6Confident84.2Confident20 Ų2078.2 Ų78.211%0.10542%0.415CS..G310 helixtrans-87.5-13.7177.4-63.8-173.4000113.9F219 P239 L241 E242 M318F219-L244 HydrophobicContact CE2-CD1 3.81Å; F219-L244 HydrophobicContact CE2-CD2 3.66Å; F219-L244 HydrophobicContact CE2-CG 4.4Å; F219-L244 HydrophobicContact CZ-CD1 3.65Å; F219-L244 HydrophobicContact CZ-CD2 3.93Å; F219-L244 HydrophobicContact CZ-CG 4.45Å; P239-L244 HydrophobicContact CB-CD2 4.25Å; P239-L244 HydrophobicContact CG-CD1 4.38Å; P239-L244 HydrophobicContact CG-CD2 3.55Å; P239-L244 HydrophobicContact CG-CG 4.15Å; L241-L244 HydrophobicContact CD1-CD1 4.39Å; L241-L244 WeakPolarHBondContact O-CB 3.19Å; L241-L244 PolarHBondContact O-N 3.37Å; E242-L244 VanDerWaalsContact C-N 3.28Å; E242-L244 PolarHBondContact O-N 3.49Å; L244-M318 HydrophobicContact CD2-CE 3.44Å; L244-M318 VanDerWaalsContact CD2-CE 3.44Å; L244-M318 HydrophobicContact CD2-CG 4.13Å; L244-M318 HydrophobicContact CD2-SD 3.64Å
245W89.1Confident85.3Confident98 Ų9881 Ų8137%0.37143%0.429SS..  trans-128.8113.8-174.6-176.2-88.8000112.3T247 F250 V322 T326W245-T247 PolarHBondContact NE1-OG1 3.21Å; W245-F250 HydrophobicContact CH2-CB 4.06Å; W245-F250 HydrophobicContact CH2-CD1 4.22Å; W245-F250 AromaticContact CH2-CD2 3.51Å; W245-F250 HydrophobicContact CH2-CD2 3.51Å; W245-F250 AromaticContact CH2-CE2 3.95Å; W245-F250 HydrophobicContact CH2-CE2 3.95Å; W245-F250 AromaticContact CH2-CG 3.66Å; W245-F250 HydrophobicContact CH2-CG 3.66Å; W245-F250 HydrophobicContact CH2-CZ 4.47Å; W245-F250 HydrophobicContact CZ2-CB 3.99Å; W245-F250 HydrophobicContact CZ2-CD1 4.14Å; W245-F250 HydrophobicContact CZ2-CD2 4.18Å; W245-F250 AromaticContact CZ2-CG 3.84Å; W245-F250 HydrophobicContact CZ2-CG 3.84Å; W245-F250 HydrophobicContact CZ3-CD2 4.24Å; W245-V322 HydrophobicContact CE3-CG1 4.23Å; W245-T326 HydrophobicContact CH2-CG2 4.18Å; W245-T326 HydrophobicContact CZ3-CG2 4.09Å
246E89.8Confident86.5Confident49 Ų4975.7 Ų75.723%0.22940%0.404CS..  trans-120.7120.1168.1-172.8173136.900110.6R248 V249 F250 Y312 H316E246-R248 HydrophobicContact CG-CB 4.07Å; E246-R248 HydrophobicContact CG-CG 4.38Å; E246-R248 PolarHBondContact O-N 3.43Å; E246-R248 VanDerWaalsContact O-N 3.14Å; E246-R248 WeakPolarHBondContact OE1-CB 3.2Å; E246-R248 WeakPolarHBondContact OE1-CD 3.4Å; E246-V249 HydrophobicContact CB-CB 4.18Å; E246-V249 HydrophobicContact CB-CG2 3.97Å; E246-V249 HydrophobicContact CG-CG2 4.31Å; E246-V249 WeakPolarHBondContact O-CB 3.22Å; E246-V249 PolarHBondContact O-N 2.99Å; E246-V249 VanDerWaalsContact O-N 3.09Å; E246-F250 PolarHBondContact O-N 2.69Å; E246-Y312 PolarHBondContact OE1-OH 3.03Å; E246-H316 IonicContact OE2-CD2 3.48Å; E246-H316 IonicContact OE2-NE2 3.58Å
247T91.8Very high87.6Confident102 Ų10275.4 Ų75.463%0.62640%0.401SS*.Hα-helixtrans-61-25.7-178.8-52.20000112.9W245 G251W245-T247 PolarHBondContact NE1-OG1 3.21Å; T247-G251 PolarHBondContact O-N 2.83Å
248R93.1Very high88.6Confident189 Ų18976.3 Ų76.371%0.71339%0.394SS*.Hα-helixtrans-68.9-47.6174-58179.3175-175.9-0.6111.2E246 F250 G251 V252E246-R248 HydrophobicContact CG-CB 4.07Å; E246-R248 HydrophobicContact CG-CG 4.38Å; E246-R248 PolarHBondContact O-N 3.43Å; E246-R248 VanDerWaalsContact O-N 3.14Å; E246-R248 WeakPolarHBondContact OE1-CB 3.2Å; E246-R248 WeakPolarHBondContact OE1-CD 3.4Å; R248-F250 VanDerWaalsContact C-N 3.34Å; R248-F250 PolarHBondContact O-N 3.25Å; R248-G251 CarbonylContact O-C 3.57Å; R248-G251 WeakPolarHBondContact O-CA 3.36Å; R248-G251 PolarHBondContact O-N 3.43Å; R248-G251 VanDerWaalsContact O-N 3.07Å; R248-V252 WeakPolarHBondContact O-CG2 3.37Å; R248-V252 PolarHBondContact O-N 2.87Å
249V93.7Very high89.5Confident0 Ų073.1 Ų73.10%038%0.378CS..Hα-helixtrans-58.9-44.7175.8171.30000111.2E246 G251 V252 F253 Y312 H316 Q319 F320E246-V249 HydrophobicContact CB-CB 4.18Å; E246-V249 HydrophobicContact CB-CG2 3.97Å; E246-V249 HydrophobicContact CG-CG2 4.31Å; E246-V249 WeakPolarHBondContact O-CB 3.22Å; E246-V249 PolarHBondContact O-N 2.99Å; E246-V249 VanDerWaalsContact O-N 3.09Å; V249-G251 VanDerWaalsContact C-N 3.32Å; V249-G251 PolarHBondContact O-N 3.42Å; V249-V252 PolarHBondContact O-N 2.93Å; V249-F253 PolarHBondContact O-N 3.08Å; V249-Y312 HydrophobicContact CG2-CE1 4.06Å; V249-Y312 VanDerWaalsContact CG2-OH 3.3Å; V249-Y312 WeakPolarHBondContact CG2-OH 3.49Å; V249-H316 HydrophobicContact CG2-CB 3.8Å; V249-Q319 HydrophobicContact CB-CB 4.43Å; V249-Q319 HydrophobicContact CG1-CB 3.95Å; V249-Q319 HydrophobicContact CG2-CB 4.48Å; V249-F320 HydrophobicContact CB-CE2 4.42Å; V249-F320 HydrophobicContact CB-CZ 4.4Å; V249-F320 HydrophobicContact CG1-CB 4.22Å; V249-F320 HydrophobicContact CG1-CD1 3.65Å; V249-F320 HydrophobicContact CG1-CD2 3.58Å; V249-F320 HydrophobicContact CG1-CE1 3.78Å; V249-F320 HydrophobicContact CG1-CE2 3.69Å; V249-F320 HydrophobicContact CG1-CG 3.53Å; V249-F320 HydrophobicContact CG1-CZ 3.8Å; V249-F320 HydrophobicContact CG2-CE2 4.1Å; V249-F320 HydrophobicContact CG2-CZ 4.37Å
250F94.8Very high90.3Very high47 Ų4771.3 Ų71.321%0.20637%0.366CS..Hα-helixtrans-60.1-41.1173.1-175.9-109000112.1W245 E246 R248 F253 L254 F327W245-F250 HydrophobicContact CH2-CB 4.06Å; W245-F250 HydrophobicContact CH2-CD1 4.22Å; W245-F250 AromaticContact CH2-CD2 3.51Å; W245-F250 HydrophobicContact CH2-CD2 3.51Å; W245-F250 AromaticContact CH2-CE2 3.95Å; W245-F250 HydrophobicContact CH2-CE2 3.95Å; W245-F250 AromaticContact CH2-CG 3.66Å; W245-F250 HydrophobicContact CH2-CG 3.66Å; W245-F250 HydrophobicContact CH2-CZ 4.47Å; W245-F250 HydrophobicContact CZ2-CB 3.99Å; W245-F250 HydrophobicContact CZ2-CD1 4.14Å; W245-F250 HydrophobicContact CZ2-CD2 4.18Å; W245-F250 AromaticContact CZ2-CG 3.84Å; W245-F250 HydrophobicContact CZ2-CG 3.84Å; W245-F250 HydrophobicContact CZ3-CD2 4.24Å; E246-F250 PolarHBondContact O-N 2.69Å; R248-F250 VanDerWaalsContact C-N 3.34Å; R248-F250 PolarHBondContact O-N 3.25Å; F250-F253 PolarHBondContact O-N 2.92Å; F250-L254 HydrophobicContact CD1-CD1 4Å; F250-L254 HydrophobicContact CD1-CG 4.49Å; F250-L254 HydrophobicContact CE1-CD1 3.54Å; F250-L254 HydrophobicContact CE1-CG 4.17Å; F250-L254 HydrophobicContact CZ-CD1 3.98Å; F250-L254 HydrophobicContact CZ-CD2 4.34Å; F250-L254 HydrophobicContact CZ-CG 4.22Å; F250-L254 WeakPolarHBondContact O-CG 3.3Å; F250-L254 PolarHBondContact O-N 3.36Å; F250-F327 HydrophobicContact CE2-CB 4.34Å
251G95.6Very high91Very high37 Ų3768.7 Ų68.738%0.38134%0.344SS..Hα-helixtrans-61.9-41.3173.400000113.8T247 R248 V249 L254 L255T247-G251 PolarHBondContact O-N 2.83Å; R248-G251 CarbonylContact O-C 3.57Å; R248-G251 WeakPolarHBondContact O-CA 3.36Å; R248-G251 PolarHBondContact O-N 3.43Å; R248-G251 VanDerWaalsContact O-N 3.07Å; V249-G251 VanDerWaalsContact C-N 3.32Å; V249-G251 PolarHBondContact O-N 3.42Å; G251-L254 PolarHBondContact O-N 3.07Å; G251-L255 WeakPolarHBondContact O-CB 3.42Å; G251-L255 PolarHBondContact O-N 2.97Å
252V94.3Very high92Very high65 Ų6566.6 Ų66.639%0.39433%0.333SS..Hα-helixtrans-67.2-39.9175.4175.60000111.2R248 V249 L255 W256 F320R248-V252 WeakPolarHBondContact O-CG2 3.37Å; R248-V252 PolarHBondContact O-N 2.87Å; V249-V252 PolarHBondContact O-N 2.93Å; V252-L255 PolarHBondContact O-N 3.12Å; V252-W256 PolarHBondContact O-N 3.43Å; V252-F320 HydrophobicContact CB-CE1 4.06Å; V252-F320 HydrophobicContact CB-CZ 4.19Å; V252-F320 HydrophobicContact CG1-CE1 3.86Å; V252-F320 HydrophobicContact CG1-CZ 3.96Å
253F95.5Very high92.9Very high15 Ų1559.2 Ų59.27%0.06630%0.299CS..Hα-helixtrans-61.8-44.1173.6174.6-89.2000112.1V249 F250 W256 F257 F320 A324 F327V249-F253 PolarHBondContact O-N 3.08Å; F250-F253 PolarHBondContact O-N 2.92Å; F253-W256 WeakPolarHBondContact O-CB 3.32Å; F253-W256 PolarHBondContact O-N 3.12Å; F253-F257 PolarHBondContact O-N 2.97Å; F253-F320 HydrophobicContact CB-CD1 4.4Å; F253-A324 HydrophobicContact CD2-CB 4.03Å; F253-A324 HydrophobicContact CE2-CB 3.45Å; F253-A324 VanDerWaalsContact CE2-CB 3.45Å; F253-A324 HydrophobicContact CZ-CB 3.81Å; F253-F327 HydrophobicContact CD1-CB 4.31Å; F253-F327 HydrophobicContact CD1-CG 4.48Å; F253-F327 HydrophobicContact CE1-CB 3.61Å; F253-F327 AromaticContact CE1-CD1 3.71Å; F253-F327 HydrophobicContact CE1-CD1 3.71Å; F253-F327 HydrophobicContact CE1-CD2 4.3Å; F253-F327 HydrophobicContact CE1-CE1 4.46Å; F253-F327 AromaticContact CE1-CG 3.61Å; F253-F327 HydrophobicContact CE1-CG 3.61Å; F253-F327 HydrophobicContact CZ-CB 4.38Å; F253-F327 HydrophobicContact CZ-CD1 4.15Å; F253-F327 HydrophobicContact CZ-CG 4.43Å
254L96.1Very high93.5Very high42 Ų4257 Ų5722%0.2228%0.282CS..Hα-helixtrans-63.1-43.5174.5-72.7179.6000111.7F250 G251 W256 F257 F258 F327F250-L254 HydrophobicContact CD1-CD1 4Å; F250-L254 HydrophobicContact CD1-CG 4.49Å; F250-L254 HydrophobicContact CE1-CD1 3.54Å; F250-L254 HydrophobicContact CE1-CG 4.17Å; F250-L254 HydrophobicContact CZ-CD1 3.98Å; F250-L254 HydrophobicContact CZ-CD2 4.34Å; F250-L254 HydrophobicContact CZ-CG 4.22Å; F250-L254 WeakPolarHBondContact O-CG 3.3Å; F250-L254 PolarHBondContact O-N 3.36Å; G251-L254 PolarHBondContact O-N 3.07Å; L254-W256 VanDerWaalsContact C-N 3.31Å; L254-W256 PolarHBondContact O-N 3.43Å; L254-F257 PolarHBondContact O-N 3.36Å; L254-F258 HydrophobicContact CB-CD2 4.35Å; L254-F258 HydrophobicContact CB-CE2 4.33Å; L254-F258 HydrophobicContact CD2-CE2 4.22Å; L254-F258 WeakPolarHBondContact O-CD2 3.3Å; L254-F258 PolarHBondContact O-N 3.07Å; L254-F327 HydrophobicContact CD2-CD2 3.53Å; L254-F327 HydrophobicContact CD2-CE2 3.55Å
255L95.4Very high93.9Very high120 Ų12060.5 Ų60.563%0.62830%0.301SS*.Hα-helixtrans-58.4-43.1175.6178.361.4000111.4G251 V252 L259G251-L255 WeakPolarHBondContact O-CB 3.42Å; G251-L255 PolarHBondContact O-N 2.97Å; V252-L255 PolarHBondContact O-N 3.12Å; L255-L259 WeakPolarHBondContact O-CB 3.48Å; L255-L259 PolarHBondContact O-N 3.41Å
256W95.3Very high93.9Very high49 Ų4958.3 Ų58.319%0.18630%0.296CS..Hα-helixtrans-59.4-50.2173.4170.9-107.8000112.4V252 F253 L254 F258 L259 Q260 T296 P383 I386 V390V252-W256 PolarHBondContact O-N 3.43Å; F253-W256 WeakPolarHBondContact O-CB 3.32Å; F253-W256 PolarHBondContact O-N 3.12Å; L254-W256 VanDerWaalsContact C-N 3.31Å; L254-W256 PolarHBondContact O-N 3.43Å; W256-F258 PolarHBondContact O-N 3.4Å; W256-L259 PolarHBondContact O-N 2.71Å; W256-Q260 HydrophobicContact CD2-CG 4.19Å; W256-Q260 HydrophobicContact CE3-CG 4.46Å; W256-Q260 HydrophobicContact CH2-CG 4.17Å; W256-Q260 HydrophobicContact CZ2-CG 3.81Å; W256-Q260 HydrophobicContact CZ3-CG 4.46Å; W256-Q260 WeakPolarHBondContact O-CG 3.46Å; W256-Q260 PolarHBondContact O-N 2.78Å; W256-T296 HydrophobicContact CH2-CG2 3.73Å; W256-T296 HydrophobicContact CZ3-CG2 3.75Å; W256-P383 PolarHBondContact NE1-O 3.06Å; W256-I386 HydrophobicContact CH2-CB 4.39Å; W256-I386 HydrophobicContact CH2-CG2 3.83Å; W256-I386 HydrophobicContact CZ2-CB 4.21Å; W256-I386 HydrophobicContact CZ2-CG2 4.15Å; W256-V390 HydrophobicContact CH2-CG2 3.72Å; W256-V390 HydrophobicContact CZ2-CG2 4.49Å; W256-V390 HydrophobicContact CZ3-CG2 4.17Å
257F95.9Very high93.7Very high12 Ų1261 Ų615%0.05332%0.318CS..Hα-helixtrans-59.9-46.9-179.8-175.4-87.6000111.8F253 L254 Q260 A261 F327 F378 P383 L453F253-F257 PolarHBondContact O-N 2.97Å; L254-F257 PolarHBondContact O-N 3.36Å; F257-Q260 PolarHBondContact O-N 2.76Å; F257-A261 WeakPolarHBondContact O-CB 3.43Å; F257-A261 PolarHBondContact O-N 3.42Å; F257-F327 HydrophobicContact CD1-CE1 4.33Å; F257-F327 AromaticContact CD1-CZ 3.88Å; F257-F327 HydrophobicContact CD1-CZ 3.88Å; F257-F327 AromaticContact CD2-CE1 3.77Å; F257-F327 HydrophobicContact CD2-CE1 3.77Å; F257-F327 HydrophobicContact CD2-CZ 4.15Å; F257-F327 HydrophobicContact CE1-CE1 4.15Å; F257-F327 AromaticContact CE1-CZ 3.73Å; F257-F327 HydrophobicContact CE1-CZ 3.73Å; F257-F327 AromaticContact CE2-CE1 3.55Å; F257-F327 HydrophobicContact CE2-CE1 3.55Å; F257-F327 HydrophobicContact CE2-CZ 4Å; F257-F327 HydrophobicContact CG-CE1 4.16Å; F257-F327 HydrophobicContact CG-CZ 4.09Å; F257-F327 AromaticContact CZ-CE1 3.76Å; F257-F327 HydrophobicContact CZ-CE1 3.76Å; F257-F327 AromaticContact CZ-CZ 3.79Å; F257-F327 HydrophobicContact CZ-CZ 3.79Å; F257-F378 HydrophobicContact CD2-CE1 4.2Å; F257-F378 HydrophobicContact CE1-CE1 4.14Å; F257-F378 HydrophobicContact CE2-CD1 4.4Å; F257-F378 AromaticContact CE2-CE1 3.71Å; F257-F378 HydrophobicContact CE2-CE1 3.71Å; F257-F378 HydrophobicContact CZ-CD1 4.23Å; F257-F378 AromaticContact CZ-CE1 3.67Å; F257-F378 HydrophobicContact CZ-CE1 3.67Å; F257-P383 HydrophobicContact CD2-CB 4.12Å; F257-P383 HydrophobicContact CD2-CG 4.13Å; F257-P383 HydrophobicContact CE2-CG 4.21Å; F257-L453 HydrophobicContact CD2-CD2 4.35Å; F257-L453 HydrophobicContact CE2-CD1 4.17Å; F257-L453 HydrophobicContact CE2-CD2 4.11Å
258F95.1Very high93.5Very high125 Ų12559.5 Ų59.555%0.54831%0.305SS..Hα-helixtrans-72.7-31.3179-70-59.5000113.4L254 W256 A261 L262L254-F258 HydrophobicContact CB-CD2 4.35Å; L254-F258 HydrophobicContact CB-CE2 4.33Å; L254-F258 HydrophobicContact CD2-CE2 4.22Å; L254-F258 WeakPolarHBondContact O-CD2 3.3Å; L254-F258 PolarHBondContact O-N 3.07Å; W256-F258 PolarHBondContact O-N 3.4Å; F258-A261 PolarHBondContact O-N 3.03Å; F258-L262 WeakPolarHBondContact O-CB 3.28Å; F258-L262 PolarHBondContact O-N 3.34Å
259L95.4Very high93.2Very high76 Ų7651.8 Ų51.840%0.39829%0.285SS..Hα-helixtrans-62.6-46.9171.2177.761.6000110.9L255 W256 A261 L262 L263L255-L259 WeakPolarHBondContact O-CB 3.48Å; L255-L259 PolarHBondContact O-N 3.41Å; W256-L259 PolarHBondContact O-N 2.71Å; L259-A261 VanDerWaalsContact C-N 3.32Å; L259-A261 PolarHBondContact O-N 3.04Å; L259-L262 WeakPolarHBondContact O-CB 3.19Å; L259-L262 PolarHBondContact O-N 2.97Å; L259-L263 WeakPolarHBondContact O-CG 3.18Å; L259-L263 PolarHBondContact O-N 2.88Å
260Q95.8Very high93.1Very high0 Ų057.3 Ų57.30%031%0.309CS..Hα-helixtrans-64.2-36.9175.1-69.3-57-28.100111.9W256 F257 L263 Y264 T296 F378 R382W256-Q260 HydrophobicContact CD2-CG 4.19Å; W256-Q260 HydrophobicContact CE3-CG 4.46Å; W256-Q260 HydrophobicContact CH2-CG 4.17Å; W256-Q260 HydrophobicContact CZ2-CG 3.81Å; W256-Q260 HydrophobicContact CZ3-CG 4.46Å; W256-Q260 WeakPolarHBondContact O-CG 3.46Å; W256-Q260 PolarHBondContact O-N 2.78Å; F257-Q260 PolarHBondContact O-N 2.76Å; Q260-L263 PolarHBondContact O-N 3.3Å; Q260-Y264 WeakPolarHBondContact O-CB 3.28Å; Q260-Y264 PolarHBondContact O-N 3.11Å; Q260-T296 PolarHBondContact NE2-OG1 3.18Å; Q260-F378 VanDerWaalsContact C-CE2 3.5Å; Q260-F378 HydrophobicContact CB-CE2 4.13Å; Q260-F378 HydrophobicContact CB-CZ 3.93Å; Q260-F378 WeakPolarHBondContact O-CE2 3.29Å; Q260-R382 HydrophobicContact CB-CB 4.29Å
261A94.4Very high93Very high11 Ų1158.8 Ų58.89%0.09132%0.322CS..Hα-helixtrans-64.4-39174.900000112.3F257 F258 L259 Y264 L265 F373 F378F257-A261 WeakPolarHBondContact O-CB 3.43Å; F257-A261 PolarHBondContact O-N 3.42Å; F258-A261 PolarHBondContact O-N 3.03Å; L259-A261 VanDerWaalsContact C-N 3.32Å; L259-A261 PolarHBondContact O-N 3.04Å; A261-Y264 PolarHBondContact O-N 3.47Å; A261-L265 WeakPolarHBondContact O-CG 3.33Å; A261-L265 PolarHBondContact O-N 2.85Å; A261-F373 HydrophobicContact CB-CE2 3.89Å; A261-F373 HydrophobicContact CB-CZ 4Å; A261-F378 VanDerWaalsContact CA-CE2 3.48Å; A261-F378 HydrophobicContact CB-CE1 4.43Å; A261-F378 HydrophobicContact CB-CE2 4.13Å; A261-F378 HydrophobicContact CB-CZ 3.81Å
262L94.3Very high92.7Very high107 Ų10758.8 Ų58.856%0.5631%0.314SS*.Hα-helixtrans-63.8-45.3173.1179.962.8000111.5F258 L259 Y264 L265 L266F258-L262 WeakPolarHBondContact O-CB 3.28Å; F258-L262 PolarHBondContact O-N 3.34Å; L259-L262 WeakPolarHBondContact O-CB 3.19Å; L259-L262 PolarHBondContact O-N 2.97Å; L262-Y264 VanDerWaalsContact C-N 3.32Å; L262-Y264 PolarHBondContact O-N 3.12Å; L262-L265 PolarHBondContact O-N 3.1Å; L262-L265 VanDerWaalsContact O-N 3.16Å; L262-L266 PolarHBondContact O-N 3.09Å
263L93.4Very high92.4Very high24 Ų2460.9 Ų60.913%0.12632%0.32CS..Hα-helixtrans-62.2-37.4175.6-68.2178.5000112.4L259 Q260 L266 A292 L295 T296L259-L263 WeakPolarHBondContact O-CG 3.18Å; L259-L263 PolarHBondContact O-N 2.88Å; Q260-L263 PolarHBondContact O-N 3.3Å; L263-L266 HydrophobicContact CD2-CD1 3.8Å; L263-L266 WeakPolarHBondContact O-CB 3.41Å; L263-L266 PolarHBondContact O-N 2.9Å; L263-A292 HydrophobicContact CB-CB 3.94Å; L263-A292 HydrophobicContact CD1-CB 4.44Å; L263-L295 HydrophobicContact CD2-CB 4.18Å; L263-L295 HydrophobicContact CD2-CD1 3.96Å; L263-T296 WeakPolarHBondContact CD1-OG1 3.43Å
264Y91.7Very high91.9Very high8 Ų860.6 Ų60.63%0.03132%0.321CS..Hα-helixtrans-64.7-37.9173.2175-83.5000112.3Q260 A261 L262 L266 N288 F373 Y377 F378 R382Q260-Y264 WeakPolarHBondContact O-CB 3.28Å; Q260-Y264 PolarHBondContact O-N 3.11Å; A261-Y264 PolarHBondContact O-N 3.47Å; L262-Y264 VanDerWaalsContact C-N 3.32Å; L262-Y264 PolarHBondContact O-N 3.12Å; Y264-L266 VanDerWaalsContact C-N 3.29Å; Y264-L266 PolarHBondContact O-N 2.91Å; Y264-N288 PolarHBondContact O-ND2 3.42Å; Y264-F373 AromaticContact CD1-CD2 3.44Å; Y264-F373 HydrophobicContact CD1-CD2 3.44Å; Y264-F373 VanDerWaalsContact CD1-CD2 3.44Å; Y264-F373 AromaticContact CD1-CE2 3.52Å; Y264-F373 HydrophobicContact CD1-CE2 3.52Å; Y264-F373 HydrophobicContact CD1-CG 4.36Å; Y264-F373 HydrophobicContact CD1-CZ 4.48Å; Y264-F373 AromaticContact CE1-CD2 3.66Å; Y264-F373 HydrophobicContact CE1-CD2 3.66Å; Y264-F373 HydrophobicContact CE1-CE2 4.1Å; Y264-F373 HydrophobicContact CE1-CG 4.15Å; Y264-F373 HydrophobicContact CG-CD2 4.48Å; Y264-F373 HydrophobicContact CG-CE2 4.16Å; Y264-Y377 AromaticContact CE2-CD1 3.87Å; Y264-Y377 HydrophobicContact CE2-CD1 3.87Å; Y264-Y377 AromaticContact CE2-CE1 3.98Å; Y264-Y377 HydrophobicContact CE2-CE1 3.98Å; Y264-F378 AromaticContact CD2-CD2 3.98Å; Y264-F378 HydrophobicContact CD2-CD2 3.98Å; Y264-F378 AromaticContact CG-CD2 3.85Å; Y264-F378 HydrophobicContact CG-CD2 3.85Å; Y264-F378 HydrophobicContact CG-CE2 4.48Å; Y264-R382 HydrophobicContact CD2-CG 4.32Å
265L90.9Very high91.3Very high94 Ų9462.1 Ų62.149%0.49233%0.329SS..Hα-helixtrans-74.3-13.1178.8-74.9171.2000114.2A261 L262 F373A261-L265 WeakPolarHBondContact O-CG 3.33Å; A261-L265 PolarHBondContact O-N 2.85Å; L262-L265 PolarHBondContact O-N 3.1Å; L262-L265 VanDerWaalsContact O-N 3.16Å; L265-F373 HydrophobicContact CD1-CD2 4.44Å; L265-F373 HydrophobicContact CD2-CB 4.5Å; L265-F373 HydrophobicContact CD2-CD2 3.89Å; L265-F373 HydrophobicContact CG-CD2 3.98Å; L265-F373 HydrophobicContact CG-CE2 4.42Å
266L90.1Very high90.7Very high53 Ų5360 Ų6028%0.27732%0.323SS..SBendtrans-56.8136.8177.4-69.6177.7000111.2L262 L263 Y264 I268 R286 N288 L295L262-L266 PolarHBondContact O-N 3.09Å; L263-L266 HydrophobicContact CD2-CD1 3.8Å; L263-L266 WeakPolarHBondContact O-CB 3.41Å; L263-L266 PolarHBondContact O-N 2.9Å; Y264-L266 VanDerWaalsContact C-N 3.29Å; Y264-L266 PolarHBondContact O-N 2.91Å; L266-I268 HydrophobicContact CB-CD1 4.23Å; L266-I268 HydrophobicContact CB-CG1 4.28Å; L266-I268 HydrophobicContact CD1-CD1 4.15Å; L266-I268 PolarHBondContact O-N 3.19Å; L266-R286 VanDerWaalsContact O-CD 3.3Å; L266-R286 WeakPolarHBondContact O-CD 3.49Å; L266-N288 PolarHBondContact O-ND2 3.3Å; L266-L295 HydrophobicContact CD1-CD1 3.86Å
267P85.5Confident90Very high105 Ų10559 Ų5968%0.68232%0.321SS*.SBendtrans-7422.8-175.331.9-37.1000114.3R286P267-R286 PolarHBondContact O-NH1 3.31Å
268I87.9Confident88.9Confident70 Ų7064.1 Ų64.136%0.35936%0.358SS..  trans-88.5153.7-178-57.2173000109.7L266 R286 Y291L266-I268 HydrophobicContact CB-CD1 4.23Å; L266-I268 HydrophobicContact CB-CG1 4.28Å; L266-I268 HydrophobicContact CD1-CD1 4.15Å; L266-I268 PolarHBondContact O-N 3.19Å; I268-R286 VanDerWaalsContact O-CD 3.29Å; I268-R286 WeakPolarHBondContact O-CD 3.45Å; I268-R286 WeakPolarHBondContact O-CG 3.48Å; I268-Y291 HydrophobicContact CG2-CD1 4.22Å; I268-Y291 HydrophobicContact CG2-CD2 3.77Å; I268-Y291 HydrophobicContact CG2-CE2 4.15Å; I268-Y291 HydrophobicContact CG2-CG 3.81Å
269G87.2Confident87.8Confident28 Ų2859.8 Ų59.829%0.28934%0.341SS..SBendtrans84.5163.3174.100000114.7I287G269-I287 WeakPolarHBondContact CA-O 3.45Å
270K90.8Very high86.9Confident116 Ų11658.7 Ų58.750%0.50435%0.347SS..EExtended strand (participates in β ladder)trans-75148.8-176.857.6-176.9167177.20111.6V272 I287 E431K270-V272 HydrophobicContact CD-CG2 4.24Å; K270-V272 HydrophobicContact CG-CG2 4.18Å; K270-I287 HydrophobicContact CG-CB 3.79Å; K270-I287 HydrophobicContact CG-CG1 4.03Å; K270-I287 HydrophobicContact CG-CG2 4.42Å; K270-I287 PolarHBondContact O-N 3.19Å; K270-E431 WeakPolarHBondContact CE-OE1 3.34Å; K270-E431 IonicContact NZ-OE1 3.39Å; K270-E431 PolarHBondContact NZ-OE1 2.96Å; K270-E431 IonicContact NZ-OE2 2.77Å
271V91.9Very high86.4Confident78 Ų7864.9 Ų64.947%0.47337%0.371SS..EExtended strand (participates in β ladder)trans-95.2133.4169.5-1790000108.9Q284 Y285V271-Q284 HydrophobicContact CG1-CB 3.9Å; V271-Q284 HydrophobicContact CG1-CG 4.27Å; V271-Y285 CarbonylContact C-O 3.59Å; V271-Y285 WeakPolarHBondContact CA-O 3.44Å
272V89.3Confident86Confident36 Ų3669.4 Ų69.422%0.21839%0.388CS..EExtended strand (participates in β ladder)trans-130.6142.1-177.5176.10000109.5K270 Y285 I287 E431 L434K270-V272 HydrophobicContact CD-CG2 4.24Å; K270-V272 HydrophobicContact CG-CG2 4.18Å; V272-Y285 PolarHBondContact N-O 3.29Å; V272-Y285 PolarHBondContact O-N 3.25Å; V272-I287 HydrophobicContact CB-CD1 4.12Å; V272-I287 HydrophobicContact CB-CG1 3.92Å; V272-I287 HydrophobicContact CG2-CD1 4.25Å; V272-I287 HydrophobicContact CG2-CG1 3.54Å; V272-E431 HydrophobicContact CG2-CG 4.36Å; V272-L434 HydrophobicContact CB-CD1 4.48Å; V272-L434 HydrophobicContact CG1-CD1 4.17Å
273E88.8Confident85.7Confident109 Ų10966.1 Ų66.151%0.50937%0.371SS..EExtended strand (participates in β ladder)trans-79.4131.9173-58.5-178130.700110.8K282E273-K282 HydrophobicContact CB-CB 4.37Å; E273-K282 HydrophobicContact CB-CD 3.95Å; E273-K282 VanDerWaalsContact CD-CD 3.4Å; E273-K282 VanDerWaalsContact CD-NZ 3.31Å; E273-K282 HydrophobicContact CG-CD 4.18Å; E273-K282 WeakPolarHBondContact OE1-CD 3.24Å; E273-K282 IonicContact OE1-NZ 3.43Å; E273-K282 PolarHBondContact OE1-NZ 3.46Å; E273-K282 VanDerWaalsContact OE2-CD 3.31Å; E273-K282 WeakPolarHBondContact OE2-CD 3.48Å; E273-K282 IonicContact OE2-NZ 3.25Å; E273-K282 PolarHBondContact OE2-NZ 3.44Å
274G85.8Confident85.6Confident9 Ų971 Ų719%0.09339%0.393CS..EExtended strand (participates in β ladder)trans-72178.4166.400000112.7L283G274-L283 PolarHBondContact N-O 2.89Å
275L83.4Confident85.6Confident74 Ų7471 Ų7139%0.38739%0.393SS..EExtended strand (participates in β ladder)trans-63.8148.9171.8-71.2175.3000111.3T435 T440L275-T435 HydrophobicContact CD1-CG2 4.15Å; L275-T435 HydrophobicContact CG-CG2 4.29Å; L275-T440 HydrophobicContact CD1-CG2 3.98Å
276P82Confident85.6Confident77 Ų7770.3 Ų70.350%0.538%0.384SS..EExtended strand (participates in β ladder)trans-67.1134.4179.427.7-34.6000111.2R281 K282P276-R281 WeakPolarHBondContact CA-O 3.39Å; P276-K282 HydrophobicContact CB-CG 4.29Å
277L80.4Confident85.7Confident27 Ų2768.5 Ų68.514%0.14138%0.375CS..  trans-73.1176175-7874.6000110.8N279 G280 R281 L283 L366L277-N279 VanDerWaalsContact CB-OD1 3.31Å; L277-N279 WeakPolarHBondContact CB-OD1 3.12Å; L277-N279 PolarHBondContact O-N 3.19Å; L277-G280 WeakPolarHBondContact O-CA 3.31Å; L277-G280 PolarHBondContact O-N 2.9Å; L277-R281 WeakPolarHBondContact CD1-O 3.36Å; L277-R281 PolarHBondContact N-O 2.92Å; L277-L283 HydrophobicContact CD1-CD1 3.94Å; L277-L283 HydrophobicContact CD1-CG 3.84Å; L277-L283 HydrophobicContact CD2-CD1 4.18Å; L277-L366 HydrophobicContact CD2-CD2 4.47Å
278S72.1Confident86.1Confident119 Ų11963.7 Ų63.783%0.83234%0.343SS*.THydrogen-bonded Turntrans-62.6-23.9-179.7-61.60000114.4G280S278-G280 VanDerWaalsContact C-N 3.32Å
279N72.8Confident86.3Confident35 Ų3560.3 Ų60.319%0.18733%0.326CS..THydrogen-bonded Turntrans-85.42.3171.157.814.2000113.7L277 R281 E345L277-N279 VanDerWaalsContact CB-OD1 3.31Å; L277-N279 WeakPolarHBondContact CB-OD1 3.12Å; L277-N279 PolarHBondContact O-N 3.19Å; N279-R281 WeakPolarHBondContact ND2-CD 3.43Å; N279-R281 PolarHBondContact O-N 3.2Å; N279-R281 WeakPolarHBondContact OD1-CB 3.14Å; N279-R281 WeakPolarHBondContact OD1-CG 3.36Å; N279-R281 PolarHBondContact OD1-N 3.11Å; N279-R281 VanDerWaalsContact OD1-N 3.09Å; N279-E345 WeakPolarHBondContact CB-OE2 3.33Å; N279-E345 PolarHBondContact ND2-OE2 3.02Å
280G77.2Confident86.6Confident52 Ų5261.9 Ų61.954%0.53633%0.325SS..SBendtrans78.6-7.4-178.400000115.2L277 S278L277-G280 WeakPolarHBondContact O-CA 3.31Å; L277-G280 PolarHBondContact O-N 2.9Å; S278-G280 VanDerWaalsContact C-N 3.32Å
281R84.1Confident86.7Confident131 Ų13162.5 Ų62.549%0.49433%0.325SS..  trans-63.9145.2174.7-59.5-179.9-170.5151.17.7109.7P276 L277 N279 E345P276-R281 WeakPolarHBondContact CA-O 3.39Å; L277-R281 WeakPolarHBondContact CD1-O 3.36Å; L277-R281 PolarHBondContact N-O 2.92Å; N279-R281 WeakPolarHBondContact ND2-CD 3.43Å; N279-R281 PolarHBondContact O-N 3.2Å; N279-R281 WeakPolarHBondContact OD1-CB 3.14Å; N279-R281 WeakPolarHBondContact OD1-CG 3.36Å; N279-R281 PolarHBondContact OD1-N 3.11Å; N279-R281 VanDerWaalsContact OD1-N 3.09Å; R281-E345 VanDerWaalsContact CZ-CD 3.47Å; R281-E345 IonicContact CZ-OE1 3.11Å; R281-E345 IonicContact CZ-OE2 3.08Å; R281-E345 IonicContact NE-OE2 2.69Å; R281-E345 IonicContact NH1-OE1 2.81Å; R281-E345 PolarHBondContact NH1-OE1 3.41Å; R281-E345 IonicContact NH1-OE2 2.62Å; R281-E345 PolarHBondContact NH1-OE2 3.07Å; R281-E345 IonicContact NH2-OE1 2.66Å; R281-E345 PolarHBondContact NH2-OE1 2.89Å; R281-E345 IonicContact NH2-OE2 3.23Å; R281-E345 PolarHBondContact NH2-OE2 2.94Å
282K86.5Confident86.9Confident105 Ų10558.9 Ų58.946%0.45730%0.303SS..EExtended strand (participates in β ladder)trans-109.1127.6168.3-61.5178.8-168.3164.50108.9E273 P276E273-K282 HydrophobicContact CB-CB 4.37Å; E273-K282 HydrophobicContact CB-CD 3.95Å; E273-K282 VanDerWaalsContact CD-CD 3.4Å; E273-K282 VanDerWaalsContact CD-NZ 3.31Å; E273-K282 HydrophobicContact CG-CD 4.18Å; E273-K282 WeakPolarHBondContact OE1-CD 3.24Å; E273-K282 IonicContact OE1-NZ 3.43Å; E273-K282 PolarHBondContact OE1-NZ 3.46Å; E273-K282 VanDerWaalsContact OE2-CD 3.31Å; E273-K282 WeakPolarHBondContact OE2-CD 3.48Å; E273-K282 IonicContact OE2-NZ 3.25Å; E273-K282 PolarHBondContact OE2-NZ 3.44Å; P276-K282 HydrophobicContact CB-CG 4.29Å
283L88.9Confident87.1Confident38 Ų3858.4 Ų58.420%0.19930%0.298CS..EExtended strand (participates in β ladder)trans-79.9139.3172.2-67.5173.3000109.9G274 L277 Y285 N367G274-L283 PolarHBondContact N-O 2.89Å; L277-L283 HydrophobicContact CD1-CD1 3.94Å; L277-L283 HydrophobicContact CD1-CG 3.84Å; L277-L283 HydrophobicContact CD2-CD1 4.18Å; L283-Y285 HydrophobicContact CB-CD2 4.48Å; L283-Y285 HydrophobicContact CB-CE2 3.66Å; L283-Y285 WeakPolarHBondContact O-CD2 3.39Å; L283-Y285 WeakPolarHBondContact O-CE2 3.46Å; L283-N367 HydrophobicContact CD1-CB 3.87Å
284Q91Very high87.4Confident128 Ų12856.5 Ų56.560%0.59829%0.294SS*.EExtended strand (participates in β ladder)trans-89.7143.9172.7-67.6-177.7200110.5V271 R369V271-Q284 HydrophobicContact CG1-CB 3.9Å; V271-Q284 HydrophobicContact CG1-CG 4.27Å; Q284-R369 PolarHBondContact O-NH1 2.95Å; Q284-R369 PolarHBondContact O-NH2 2.88Å
285Y91.1Very high87.9Confident7 Ų759.8 Ų59.83%0.02731%0.309CS..EExtended strand (participates in β ladder)trans-134.3140.1179.8-62-97.4000109.7V271 V272 L283 D374 Y377 L434V271-Y285 CarbonylContact C-O 3.59Å; V271-Y285 WeakPolarHBondContact CA-O 3.44Å; V272-Y285 PolarHBondContact N-O 3.29Å; V272-Y285 PolarHBondContact O-N 3.25Å; L283-Y285 HydrophobicContact CB-CD2 4.48Å; L283-Y285 HydrophobicContact CB-CE2 3.66Å; L283-Y285 WeakPolarHBondContact O-CD2 3.39Å; L283-Y285 WeakPolarHBondContact O-CE2 3.46Å; Y285-D374 HydrophobicContact CE1-CB 4.31Å; Y285-D374 WeakPolarHBondContact CE1-OD2 3.47Å; Y285-Y377 AromaticContact CD1-CD1 3.62Å; Y285-Y377 HydrophobicContact CD1-CD1 3.62Å; Y285-Y377 HydrophobicContact CD1-CD2 4.23Å; Y285-Y377 AromaticContact CD1-CE1 3.91Å; Y285-Y377 HydrophobicContact CD1-CE1 3.91Å; Y285-Y377 AromaticContact CD1-CG 3.76Å; Y285-Y377 HydrophobicContact CD1-CG 3.76Å; Y285-Y377 HydrophobicContact CE1-CD1 4.27Å; Y285-Y377 HydrophobicContact CE1-CD2 4.45Å; Y285-Y377 AromaticContact CE1-CG 3.99Å; Y285-Y377 HydrophobicContact CE1-CG 3.99Å; Y285-L434 HydrophobicContact CD1-CD2 3.51Å; Y285-L434 HydrophobicContact CD2-CD1 3.9Å; Y285-L434 HydrophobicContact CD2-CD2 3.69Å; Y285-L434 HydrophobicContact CD2-CG 4.42Å; Y285-L434 HydrophobicContact CE1-CD2 3.74Å; Y285-L434 HydrophobicContact CE2-CD2 3.93Å; Y285-L434 HydrophobicContact CG-CD1 3.99Å; Y285-L434 HydrophobicContact CG-CD2 3.47Å; Y285-L434 VanDerWaalsContact CG-CD2 3.47Å; Y285-L434 HydrophobicContact CG-CG 4.4Å
286R91.6Very high88.5Confident80 Ų8056.6 Ų56.630%0.30229%0.292SS..EExtended strand (participates in β ladder)trans-95.7116.5176-175.2180-71.2-86.58.6109.3L266 P267 I268 N288L266-R286 VanDerWaalsContact O-CD 3.3Å; L266-R286 WeakPolarHBondContact O-CD 3.49Å; P267-R286 PolarHBondContact O-NH1 3.31Å; I268-R286 VanDerWaalsContact O-CD 3.29Å; I268-R286 WeakPolarHBondContact O-CD 3.45Å; I268-R286 WeakPolarHBondContact O-CG 3.48Å; R286-N288 HydrophobicContact CG-CB 4.46Å; R286-N288 PolarHBondContact O-N 3.09Å
287I92.4Very high89.1Confident15 Ų1555.2 Ų55.28%0.07729%0.287CS..EExtended strand (participates in β ladder)trans-86.291.6-177.6-48.7-55.7000108.1G269 K270 V272 Y377 E430 E431 L434G269-I287 WeakPolarHBondContact CA-O 3.45Å; K270-I287 HydrophobicContact CG-CB 3.79Å; K270-I287 HydrophobicContact CG-CG1 4.03Å; K270-I287 HydrophobicContact CG-CG2 4.42Å; K270-I287 PolarHBondContact O-N 3.19Å; V272-I287 HydrophobicContact CB-CD1 4.12Å; V272-I287 HydrophobicContact CB-CG1 3.92Å; V272-I287 HydrophobicContact CG2-CD1 4.25Å; V272-I287 HydrophobicContact CG2-CG1 3.54Å; I287-Y377 WeakPolarHBondContact CD1-OH 3.36Å; I287-E430 WeakPolarHBondContact CA-OE2 3.34Å; I287-E430 HydrophobicContact CD1-CG 4.22Å; I287-E430 HydrophobicContact CG2-CB 4.08Å; I287-E430 HydrophobicContact CG2-CG 3.98Å; I287-E430 WeakPolarHBondContact CG2-OE2 3.44Å; I287-E431 HydrophobicContact CD1-CG 4.33Å; I287-E431 HydrophobicContact CG1-CG 4.2Å; I287-E431 HydrophobicContact CG2-CG 4.36Å; I287-L434 HydrophobicContact CD1-CD1 4.07Å
288N93.6Very high89.8Confident3 Ų357 Ų572%0.01631%0.306CS..  trans-133.510.3-177.768.310000114.9Y264 L266 R286 F290 Y291 A292 R382 E430Y264-N288 PolarHBondContact O-ND2 3.42Å; L266-N288 PolarHBondContact O-ND2 3.3Å; R286-N288 HydrophobicContact CG-CB 4.46Å; R286-N288 PolarHBondContact O-N 3.09Å; N288-F290 PolarHBondContact O-N 3.44Å; N288-Y291 HydrophobicContact CB-CD2 4.47Å; N288-Y291 PolarHBondContact O-N 3.41Å; N288-Y291 VanDerWaalsContact O-N 3.08Å; N288-A292 PolarHBondContact O-N 2.89Å; N288-R382 PolarHBondContact OD1-NH2 2.65Å; N288-E430 PolarHBondContact N-OE2 3.17Å
289G91.8Very high90.8Very high0 Ų053.7 Ų53.70%029%0.286CS..Hα-helixtrans-59.9-42.7-174.700000113.9Y291 A292 F293 R382 E430G289-Y291 PolarHBondContact O-N 3.37Å; G289-A292 PolarHBondContact O-N 3.46Å; G289-F293 WeakPolarHBondContact O-CB 3.43Å; G289-F293 PolarHBondContact O-N 2.58Å; G289-R382 VanDerWaalsContact N-NH2 3.17Å; G289-E430 PolarHBondContact N-OE2 3.12Å
290F93.4Very high91.8Very high61 Ų6152.9 Ų52.927%0.26828%0.281SS..Hα-helixtrans-64.3-36.9175.3-172.6-100.3000112.8N288 F293 V294 V424 W428N288-F290 PolarHBondContact O-N 3.44Å; F290-F293 PolarHBondContact O-N 2.77Å; F290-V294 HydrophobicContact CD1-CG2 4.21Å; F290-V294 HydrophobicContact CE1-CG2 3.77Å; F290-V294 HydrophobicContact CE2-CG2 4.45Å; F290-V294 HydrophobicContact CZ-CG2 3.9Å; F290-V294 WeakPolarHBondContact O-CG2 3.48Å; F290-V294 PolarHBondContact O-N 2.69Å; F290-V424 HydrophobicContact CE2-CG1 4.21Å; F290-W428 HydrophobicContact CD1-CE3 4.1Å; F290-W428 HydrophobicContact CD1-CZ3 4.07Å; F290-W428 AromaticContact CD2-CE3 3.84Å; F290-W428 HydrophobicContact CD2-CE3 3.84Å; F290-W428 HydrophobicContact CE1-CE3 4.05Å; F290-W428 AromaticContact CE1-CZ3 3.75Å; F290-W428 HydrophobicContact CE1-CZ3 3.75Å; F290-W428 AromaticContact CE2-CE3 3.79Å; F290-W428 HydrophobicContact CE2-CE3 3.79Å; F290-W428 HydrophobicContact CE2-CZ3 4.21Å; F290-W428 AromaticContact CG-CE3 3.99Å; F290-W428 HydrophobicContact CG-CE3 3.99Å; F290-W428 HydrophobicContact CG-CZ3 4.44Å; F290-W428 AromaticContact CZ-CE3 3.9Å; F290-W428 HydrophobicContact CZ-CE3 3.9Å; F290-W428 AromaticContact CZ-CZ3 3.82Å; F290-W428 HydrophobicContact CZ-CZ3 3.82Å
291Y93.6Very high92.5Very high129 Ų12952.2 Ų52.251%0.50628%0.275SS..Hα-helixtrans-69.7-42.6175.7-62.7-71.5000111.8I268 N288 G289 F293 V294 L295I268-Y291 HydrophobicContact CG2-CD1 4.22Å; I268-Y291 HydrophobicContact CG2-CD2 3.77Å; I268-Y291 HydrophobicContact CG2-CE2 4.15Å; I268-Y291 HydrophobicContact CG2-CG 3.81Å; N288-Y291 HydrophobicContact CB-CD2 4.47Å; N288-Y291 PolarHBondContact O-N 3.41Å; N288-Y291 VanDerWaalsContact O-N 3.08Å; G289-Y291 PolarHBondContact O-N 3.37Å; Y291-F293 VanDerWaalsContact C-N 3.29Å; Y291-F293 PolarHBondContact O-N 2.94Å; Y291-V294 PolarHBondContact O-N 3.03Å; Y291-L295 WeakPolarHBondContact O-CB 3.48Å; Y291-L295 VanDerWaalsContact O-CG 3.31Å; Y291-L295 WeakPolarHBondContact O-CG 3.33Å; Y291-L295 PolarHBondContact O-N 3.11Å
292A94.3Very high92.9Very high2 Ų248 Ų482%0.01727%0.268CS..Hα-helixtrans-59.8-41174.300000111.5L263 N288 G289 T296 I386L263-A292 HydrophobicContact CB-CB 3.94Å; L263-A292 HydrophobicContact CD1-CB 4.44Å; N288-A292 PolarHBondContact O-N 2.89Å; G289-A292 PolarHBondContact O-N 3.46Å; A292-T296 VanDerWaalsContact O-CB 3.31Å; A292-T296 WeakPolarHBondContact O-CB 3.23Å; A292-T296 PolarHBondContact O-N 3.33Å; A292-T296 PolarHBondContact O-OG1 2.93Å; A292-I386 HydrophobicContact CB-CD1 4.49Å
293F95.3Very high93.2Very high26 Ų2646.4 Ų46.411%0.11426%0.264CS..Hα-helixtrans-63-48.7173.7174-91.6000112.8G289 F290 Y291 L295 T296 A297 I386 V389 L420 V424 L427G289-F293 WeakPolarHBondContact O-CB 3.43Å; G289-F293 PolarHBondContact O-N 2.58Å; F290-F293 PolarHBondContact O-N 2.77Å; Y291-F293 VanDerWaalsContact C-N 3.29Å; Y291-F293 PolarHBondContact O-N 2.94Å; F293-L295 VanDerWaalsContact C-N 3.34Å; F293-L295 PolarHBondContact O-N 2.7Å; F293-T296 WeakPolarHBondContact O-CB 3.34Å; F293-T296 PolarHBondContact O-N 2.92Å; F293-A297 WeakPolarHBondContact O-CB 3.17Å; F293-A297 PolarHBondContact O-N 3.08Å; F293-I386 HydrophobicContact CB-CD1 4.34Å; F293-I386 HydrophobicContact CD2-CG1 4.49Å; F293-I386 HydrophobicContact CD2-CG2 4.16Å; F293-V389 HydrophobicContact CE2-CB 4.49Å; F293-V389 HydrophobicContact CE2-CG1 4.17Å; F293-V389 HydrophobicContact CE2-CG2 4.44Å; F293-L420 HydrophobicContact CE2-CD1 4.37Å; F293-L420 HydrophobicContact CZ-CD1 3.82Å; F293-V424 HydrophobicContact CE1-CG2 3.87Å; F293-V424 HydrophobicContact CZ-CG2 3.85Å; F293-L427 HydrophobicContact CB-CD1 3.76Å; F293-L427 HydrophobicContact CD2-CD1 3.87Å; F293-L427 HydrophobicContact CG-CD1 3.92Å
294V95.2Very high93.2Very high69 Ų6947.5 Ų47.542%0.41827%0.269SS..Hα-helixtrans-61.8-41.2178.1170.10000111.6F290 Y291 A297 A298F290-V294 HydrophobicContact CD1-CG2 4.21Å; F290-V294 HydrophobicContact CE1-CG2 3.77Å; F290-V294 HydrophobicContact CE2-CG2 4.45Å; F290-V294 HydrophobicContact CZ-CG2 3.9Å; F290-V294 WeakPolarHBondContact O-CG2 3.48Å; F290-V294 PolarHBondContact O-N 2.69Å; Y291-V294 PolarHBondContact O-N 3.03Å; V294-A297 PolarHBondContact O-N 3.15Å; V294-A298 WeakPolarHBondContact O-CB 3.3Å; V294-A298 PolarHBondContact O-N 2.82Å
295L95.3Very high93.2Very high78 Ų7850 Ų5041%0.40828%0.275SS..Hα-helixtrans-65.1-39.7174.9-69.9171.1000112.1L263 L266 Y291 F293 A298 A299L263-L295 HydrophobicContact CD2-CB 4.18Å; L263-L295 HydrophobicContact CD2-CD1 3.96Å; L266-L295 HydrophobicContact CD1-CD1 3.86Å; Y291-L295 WeakPolarHBondContact O-CB 3.48Å; Y291-L295 VanDerWaalsContact O-CG 3.31Å; Y291-L295 WeakPolarHBondContact O-CG 3.33Å; Y291-L295 PolarHBondContact O-N 3.11Å; F293-L295 VanDerWaalsContact C-N 3.34Å; F293-L295 PolarHBondContact O-N 2.7Å; L295-A298 PolarHBondContact O-N 2.95Å; L295-A299 WeakPolarHBondContact O-CB 3.35Å; L295-A299 PolarHBondContact O-N 2.93Å
296T95.2Very high93.2Very high7 Ų757.1 Ų57.14%0.04331%0.306CS..Hα-helixtrans-65-45.5175.4-57.90000111.4W256 Q260 L263 A292 F293 A298 A299 I300 I386W256-T296 HydrophobicContact CH2-CG2 3.73Å; W256-T296 HydrophobicContact CZ3-CG2 3.75Å; Q260-T296 PolarHBondContact NE2-OG1 3.18Å; L263-T296 WeakPolarHBondContact CD1-OG1 3.43Å; A292-T296 VanDerWaalsContact O-CB 3.31Å; A292-T296 WeakPolarHBondContact O-CB 3.23Å; A292-T296 PolarHBondContact O-N 3.33Å; A292-T296 PolarHBondContact O-OG1 2.93Å; F293-T296 WeakPolarHBondContact O-CB 3.34Å; F293-T296 PolarHBondContact O-N 2.92Å; T296-A298 VanDerWaalsContact C-N 3.34Å; T296-A298 PolarHBondContact O-N 2.84Å; T296-A299 PolarHBondContact O-N 3.08Å; T296-I300 HydrophobicContact CG2-CD1 3.89Å; T296-I300 WeakPolarHBondContact O-CG1 3.45Å; T296-I300 PolarHBondContact O-N 3.06Å; T296-I386 HydrophobicContact CG2-CG2 3.96Å
297A94.7Very high92.8Very high47 Ų4760.7 Ų60.739%0.38833%0.326SS..Hα-helixtrans-63.9-38.5177.400000112F293 V294 I300 G301F293-A297 WeakPolarHBondContact O-CB 3.17Å; F293-A297 PolarHBondContact O-N 3.08Å; V294-A297 PolarHBondContact O-N 3.15Å; A297-I300 PolarHBondContact O-N 3.37Å; A297-G301 PolarHBondContact O-N 3.05Å
298A95.1Very high92.4Very high64 Ų6466.1 Ų66.153%0.52935%0.349SS..Hα-helixtrans-65.2-42173.500000112.3V294 L295 T296 G301 A302V294-A298 WeakPolarHBondContact O-CB 3.3Å; V294-A298 PolarHBondContact O-N 2.82Å; L295-A298 PolarHBondContact O-N 2.95Å; T296-A298 VanDerWaalsContact C-N 3.34Å; T296-A298 PolarHBondContact O-N 2.84Å; A298-G301 PolarHBondContact O-N 3.47Å; A298-A302 PolarHBondContact O-N 2.92Å
299A94Very high91.8Very high51 Ų5171.7 Ų71.742%0.42138%0.376SS..Hα-helixtrans-63.3-41.7175.300000112.1L295 T296 A302 L303L295-A299 WeakPolarHBondContact O-CB 3.35Å; L295-A299 PolarHBondContact O-N 2.93Å; T296-A299 PolarHBondContact O-N 3.08Å; A299-A302 PolarHBondContact O-N 3.38Å; A299-L303 WeakPolarHBondContact O-CG 3.36Å; A299-L303 PolarHBondContact O-N 3.38Å
300I93.1Very high91.4Very high18 Ų1873 Ų739%0.09238%0.381CS..Hα-helixtrans-67-41.2175.5-70.6167.9000111.3T296 A297 A302 L303 L304 F310 V390 L393T296-I300 HydrophobicContact CG2-CD1 3.89Å; T296-I300 WeakPolarHBondContact O-CG1 3.45Å; T296-I300 PolarHBondContact O-N 3.06Å; A297-I300 PolarHBondContact O-N 3.37Å; I300-A302 VanDerWaalsContact C-N 3.3Å; I300-A302 PolarHBondContact O-N 3.46Å; I300-L303 PolarHBondContact O-N 2.89Å; I300-L304 HydrophobicContact CG2-CD1 4.08Å; I300-L304 HydrophobicContact CG2-CG 4.49Å; I300-L304 WeakPolarHBondContact O-CG 3.36Å; I300-L304 PolarHBondContact O-N 3.35Å; I300-F310 HydrophobicContact CG2-CE1 4.07Å; I300-F310 HydrophobicContact CG2-CZ 3.87Å; I300-V390 HydrophobicContact CD1-CB 4.25Å; I300-V390 HydrophobicContact CD1-CG1 3.88Å; I300-V390 HydrophobicContact CD1-CG2 3.38Å; I300-L393 HydrophobicContact CG2-CD2 3.78Å
301G91.9Very high91Very high38 Ų3871.7 Ų71.739%0.39238%0.376SS..Hα-helixtrans-60-38.4173.300000112.8A297 A298 L304 Y305A297-G301 PolarHBondContact O-N 3.05Å; A298-G301 PolarHBondContact O-N 3.47Å; G301-L304 PolarHBondContact O-N 2.96Å; G301-Y305 PolarHBondContact O-N 3.48Å
302A93.2Very high90.7Very high43 Ų4369 Ų6936%0.35537%0.365SS..Hα-helixtrans-67.2-42.917300000112.3A298 A299 I300 L304 Y305 F306A298-A302 PolarHBondContact O-N 2.92Å; A299-A302 PolarHBondContact O-N 3.38Å; I300-A302 VanDerWaalsContact C-N 3.3Å; I300-A302 PolarHBondContact O-N 3.46Å; A302-L304 VanDerWaalsContact C-N 3.33Å; A302-L304 PolarHBondContact O-N 3.49Å; A302-Y305 WeakPolarHBondContact O-CB 3.29Å; A302-Y305 PolarHBondContact O-N 3.08Å; A302-F306 WeakPolarHBondContact O-CD2 3.39Å; A302-F306 PolarHBondContact O-N 3.31Å
303L92.4Very high90.5Very high71 Ų7170.5 Ų70.537%0.37237%0.373SS..Hα-helixtrans-61.3-40.2174.6-72.7170000112.1A299 I300 F306 Q307 F308 F310A299-L303 WeakPolarHBondContact O-CG 3.36Å; A299-L303 PolarHBondContact O-N 3.38Å; I300-L303 PolarHBondContact O-N 2.89Å; L303-F306 CarbonylContact O-C 3.45Å; L303-F306 PolarHBondContact O-N 3.25Å; L303-Q307 PolarHBondContact O-N 3.42Å; L303-F308 HydrophobicContact CB-CB 4.04Å; L303-F308 HydrophobicContact CD2-CB 4.31Å; L303-F308 HydrophobicContact CD2-CD2 4.26Å; L303-F308 HydrophobicContact CD2-CG 4.25Å; L303-F308 VanDerWaalsContact O-CB 3.26Å; L303-F308 WeakPolarHBondContact O-CB 3.4Å; L303-F308 PolarHBondContact O-N 3.05Å; L303-F310 HydrophobicContact CB-CE2 4.02Å; L303-F310 HydrophobicContact CB-CZ 3.83Å; L303-F310 HydrophobicContact CD1-CZ 4.22Å
304L89.4Confident90.3Very high60 Ų6070.2 Ų70.231%0.31437%0.371SS..Hα-helixtrans-65.4-39.8173.7-72.6168.9000112.1I300 G301 A302 F306 Q307 F310 L393 L397I300-L304 HydrophobicContact CG2-CD1 4.08Å; I300-L304 HydrophobicContact CG2-CG 4.49Å; I300-L304 WeakPolarHBondContact O-CG 3.36Å; I300-L304 PolarHBondContact O-N 3.35Å; G301-L304 PolarHBondContact O-N 2.96Å; A302-L304 VanDerWaalsContact C-N 3.33Å; A302-L304 PolarHBondContact O-N 3.49Å; L304-F306 VanDerWaalsContact C-N 3.33Å; L304-F306 PolarHBondContact O-N 2.91Å; L304-Q307 PolarHBondContact O-N 2.99Å; L304-Q307 PolarHBondContact O-NE2 2.92Å; L304-F310 HydrophobicContact CD2-CD2 3.44Å; L304-F310 VanDerWaalsContact CD2-CD2 3.44Å; L304-F310 HydrophobicContact CD2-CE2 3.49Å; L304-F310 VanDerWaalsContact CD2-CE2 3.49Å; L304-F310 HydrophobicContact CD2-CG 4.44Å; L304-F310 HydrophobicContact CD2-CZ 4.5Å; L304-F310 HydrophobicContact CG-CD2 4.13Å; L304-F310 HydrophobicContact CG-CE2 3.64Å; L304-F310 HydrophobicContact CG-CZ 4.33Å; L304-L393 HydrophobicContact CD1-CD2 4.43Å; L304-L397 HydrophobicContact CD2-CD1 3.69Å
305Y90Very high90Very high182 Ų18270.4 Ų70.471%0.71437%0.37SS*.Hα-helixtrans-59.7-43.9173.3179.4-99.7000111.5G301 A302 Q307G301-Y305 PolarHBondContact O-N 3.48Å; A302-Y305 WeakPolarHBondContact O-CB 3.29Å; A302-Y305 PolarHBondContact O-N 3.08Å; Y305-Q307 PolarHBondContact O-N 3.36Å; Y305-Q307 VanDerWaalsContact O-N 3.17Å; Y305-Q307 PolarHBondContact O-NE2 2.93Å
306F91.6Very high89.8Confident156 Ų15668.6 Ų68.668%0.68436%0.359SS*.THydrogen-bonded Turntrans-76.214173.4-65.9-60.6000114.7A302 L303 L304 F308A302-F306 WeakPolarHBondContact O-CD2 3.39Å; A302-F306 PolarHBondContact O-N 3.31Å; L303-F306 CarbonylContact O-C 3.45Å; L303-F306 PolarHBondContact O-N 3.25Å; L304-F306 VanDerWaalsContact C-N 3.33Å; L304-F306 PolarHBondContact O-N 2.91Å; F306-F308 VanDerWaalsContact C-N 3.3Å; F306-F308 PolarHBondContact O-N 3.46Å
307Q83.8Confident89.7Confident154 Ų15468.4 Ų68.472%0.7236%0.358SS*.THydrogen-bonded Turntrans58.233.6175.3-50.5-55-61.800114.6L303 L304 Y305L303-Q307 PolarHBondContact O-N 3.42Å; L304-Q307 PolarHBondContact O-N 2.99Å; L304-Q307 PolarHBondContact O-NE2 2.92Å; Y305-Q307 PolarHBondContact O-N 3.36Å; Y305-Q307 VanDerWaalsContact O-N 3.17Å; Y305-Q307 PolarHBondContact O-NE2 2.93Å
308F84.4Confident89.5Confident129 Ų12967.9 Ų67.957%0.56635%0.348SS*.  trans-68.1133.4177-164.9-88.2000111.7L303 F306 F310L303-F308 HydrophobicContact CB-CB 4.04Å; L303-F308 HydrophobicContact CD2-CB 4.31Å; L303-F308 HydrophobicContact CD2-CD2 4.26Å; L303-F308 HydrophobicContact CD2-CG 4.25Å; L303-F308 VanDerWaalsContact O-CB 3.26Å; L303-F308 WeakPolarHBondContact O-CB 3.4Å; L303-F308 PolarHBondContact O-N 3.05Å; F306-F308 VanDerWaalsContact C-N 3.3Å; F306-F308 PolarHBondContact O-N 3.46Å; F308-F310 HydrophobicContact CB-CE2 4.3Å; F308-F310 HydrophobicContact CD1-CE2 4.39Å; F308-F310 WeakPolarHBondContact O-CD2 3.48Å; F308-F310 PolarHBondContact O-N 3.46Å; F308-F310 VanDerWaalsContact O-N 3.08Å
309E80.6Confident89.4Confident121 Ų12166 Ų6657%0.56533%0.328SS*.  trans-79.992.2-174.8-69.1-143.199.600113.6H311 Y312 K401E309-H311 PolarHBondContact O-N 3.34Å; E309-H311 VanDerWaalsContact O-N 3.16Å; E309-Y312 PolarHBondContact O-N 3.08Å; E309-K401 IonicContact OE1-NZ 3.38Å; E309-K401 PolarHBondContact OE1-NZ 2.65Å
310F83.9Confident89.4Confident26 Ų2664.1 Ų64.111%0.11431%0.31CS..THydrogen-bonded Turntrans-64.9-12.8172.1-73-92.5000114.1I300 L303 L304 F308 Y312 L313 A394 L397I300-F310 HydrophobicContact CG2-CE1 4.07Å; I300-F310 HydrophobicContact CG2-CZ 3.87Å; L303-F310 HydrophobicContact CB-CE2 4.02Å; L303-F310 HydrophobicContact CB-CZ 3.83Å; L303-F310 HydrophobicContact CD1-CZ 4.22Å; L304-F310 HydrophobicContact CD2-CD2 3.44Å; L304-F310 VanDerWaalsContact CD2-CD2 3.44Å; L304-F310 HydrophobicContact CD2-CE2 3.49Å; L304-F310 VanDerWaalsContact CD2-CE2 3.49Å; L304-F310 HydrophobicContact CD2-CG 4.44Å; L304-F310 HydrophobicContact CD2-CZ 4.5Å; L304-F310 HydrophobicContact CG-CD2 4.13Å; L304-F310 HydrophobicContact CG-CE2 3.64Å; L304-F310 HydrophobicContact CG-CZ 4.33Å; F308-F310 HydrophobicContact CB-CE2 4.3Å; F308-F310 HydrophobicContact CD1-CE2 4.39Å; F308-F310 WeakPolarHBondContact O-CD2 3.48Å; F308-F310 PolarHBondContact O-N 3.46Å; F308-F310 VanDerWaalsContact O-N 3.08Å; F310-Y312 PolarHBondContact O-N 2.91Å; F310-L313 WeakPolarHBondContact O-CB 3.14Å; F310-L313 PolarHBondContact O-N 3.26Å; F310-L313 VanDerWaalsContact O-N 3.09Å; F310-A394 HydrophobicContact CB-CB 4.37Å; F310-L397 HydrophobicContact CB-CD1 4.15Å; F310-L397 HydrophobicContact CD2-CD1 4.49Å; F310-L397 HydrophobicContact CG-CD1 4.39Å
311H84.4Confident89.5Confident35 Ų3563.6 Ų63.616%0.16231%0.309CS..Hα-helixtrans-58.9-30.8177.1-161.266.4000113.1E309 L313 Y314 D315 K401E309-H311 PolarHBondContact O-N 3.34Å; E309-H311 VanDerWaalsContact O-N 3.16Å; H311-L313 PolarHBondContact O-N 3.45Å; H311-L313 VanDerWaalsContact O-N 3.09Å; H311-Y314 WeakPolarHBondContact O-CA 3.15Å; H311-Y314 WeakPolarHBondContact O-CB 3.38Å; H311-Y314 PolarHBondContact O-N 2.86Å; H311-D315 IonicContact CD2-OD1 3.31Å; H311-D315 IonicContact CD2-OD2 2.76Å; H311-D315 PolarHBondContact CD2-OD2 3.01Å; H311-D315 VanDerWaalsContact CD2-OD2 3.24Å; H311-D315 IonicContact CG-OD2 3.48Å; H311-D315 IonicContact NE2-OD1 3.21Å; H311-D315 IonicContact NE2-OD2 2.69Å; H311-D315 PolarHBondContact O-N 3.39Å; H311-D315 VanDerWaalsContact O-N 3.12Å; H311-K401 HydrophobicContact CB-CD 4.18Å
312Y87.7Confident89.6Confident73 Ų7363.4 Ų63.429%0.28630%0.3SS..Hα-helixtrans-55.6-29.4175.5-178.6-96.9000112.9E246 V249 E309 F310 H316 F320E246-Y312 PolarHBondContact OE1-OH 3.03Å; V249-Y312 HydrophobicContact CG2-CE1 4.06Å; V249-Y312 VanDerWaalsContact CG2-OH 3.3Å; V249-Y312 WeakPolarHBondContact CG2-OH 3.49Å; E309-Y312 PolarHBondContact O-N 3.08Å; F310-Y312 PolarHBondContact O-N 2.91Å; Y312-H316 AromaticContact CD2-CE1 3.24Å; Y312-H316 WeakPolarHBondContact CD2-CE1 3.23Å; Y312-H316 AromaticContact CD2-ND1 3.31Å; Y312-H316 VanDerWaalsContact CD2-ND1 3.31Å; Y312-H316 WeakPolarHBondContact CD2-ND1 3.35Å; Y312-H316 AromaticContact CE2-CE1 3.19Å; Y312-H316 WeakPolarHBondContact CE2-CE1 3.39Å; Y312-H316 AromaticContact CE2-ND1 3.36Å; Y312-H316 WeakPolarHBondContact CE2-ND1 3.29Å; Y312-H316 AromaticContact CE2-NE2 3.69Å; Y312-H316 AromaticContact CG-ND1 3.74Å; Y312-H316 AromaticContact CZ-ND1 3.84Å; Y312-H316 PolarHBondContact O-N 3.3Å; Y312-H316 PolarHBondContact O-ND1 3.21Å; Y312-F320 HydrophobicContact CD1-CE2 4.42Å; Y312-F320 HydrophobicContact CE1-CE2 4.29Å; Y312-F320 HydrophobicContact CE1-CZ 4.3Å
313L89.9Confident89.7Confident32 Ų3261.3 Ų61.317%0.16828%0.283CS..Hα-helixtrans-69.8-32175.5-163.478.5000112.5F310 H311 F317 F320 I391 A394F310-L313 WeakPolarHBondContact O-CB 3.14Å; F310-L313 PolarHBondContact O-N 3.26Å; F310-L313 VanDerWaalsContact O-N 3.09Å; H311-L313 PolarHBondContact O-N 3.45Å; H311-L313 VanDerWaalsContact O-N 3.09Å; L313-F317 VanDerWaalsContact O-CA 3.25Å; L313-F317 WeakPolarHBondContact O-CA 3.47Å; L313-F317 WeakPolarHBondContact O-CB 3.45Å; L313-F317 PolarHBondContact O-N 2.96Å; L313-F320 HydrophobicContact CD1-CD1 4.22Å; L313-F320 HydrophobicContact CD1-CD2 3.88Å; L313-F320 HydrophobicContact CD1-CE1 4.02Å; L313-F320 HydrophobicContact CD1-CE2 3.68Å; L313-F320 HydrophobicContact CD1-CG 4.17Å; L313-F320 HydrophobicContact CD1-CZ 3.75Å; L313-I391 HydrophobicContact CD2-CG1 4Å; L313-A394 HydrophobicContact CB-CB 4.09Å; L313-A394 HydrophobicContact CD2-CB 3.57Å; L313-A394 HydrophobicContact CG-CB 4.4Å
314Y90.8Very high89.9Confident21 Ų2158 Ų588%0.08227%0.265CS..Hα-helixtrans-73.8-50.6175.8171.8-103.6000111.1H311 H316 F317 M395 A398 I402 F465 V468 N469H311-Y314 WeakPolarHBondContact O-CA 3.15Å; H311-Y314 WeakPolarHBondContact O-CB 3.38Å; H311-Y314 PolarHBondContact O-N 2.86Å; Y314-H316 VanDerWaalsContact C-N 3.27Å; Y314-H316 PolarHBondContact O-N 2.94Å; Y314-F317 VanDerWaalsContact O-CB 3.25Å; Y314-F317 WeakPolarHBondContact O-CB 3.38Å; Y314-F317 PolarHBondContact O-N 3.42Å; Y314-F317 VanDerWaalsContact O-N 3.16Å; Y314-M395 HydrophobicContact CD2-CE 4.45Å; Y314-M395 HydrophobicContact CD2-SD 3.67Å; Y314-M395 HydrophobicContact CE2-SD 4.37Å; Y314-A398 HydrophobicContact CD1-CB 4.2Å; Y314-A398 HydrophobicContact CD2-CB 4.16Å; Y314-A398 HydrophobicContact CG-CB 3.79Å; Y314-I402 HydrophobicContact CD1-CD1 4.18Å; Y314-I402 HydrophobicContact CE1-CD1 3.58Å; Y314-F465 HydrophobicContact CD2-CD2 4.06Å; Y314-F465 AromaticContact CD2-CE2 3.96Å; Y314-F465 HydrophobicContact CD2-CE2 3.96Å; Y314-F465 AromaticContact CE2-CD2 3.74Å; Y314-F465 HydrophobicContact CE2-CD2 3.74Å; Y314-F465 AromaticContact CE2-CE2 3.51Å; Y314-F465 HydrophobicContact CE2-CE2 3.51Å; Y314-V468 HydrophobicContact CD2-CG1 4.25Å; Y314-V468 HydrophobicContact CE1-CG1 4.35Å; Y314-V468 HydrophobicContact CE2-CB 3.99Å; Y314-V468 HydrophobicContact CE2-CG1 3.61Å; Y314-V468 HydrophobicContact CE2-CG2 4.26Å; Y314-N469 PolarHBondContact OH-ND2 3.11Å; Y314-N469 PolarHBondContact OH-OD1 3.45Å
315D89.4Confident90.2Very high73 Ų7356.1 Ų56.139%0.3926%0.259SS..Hα-helixtrans-56.2-43.4-177.5-65.3-40000112H311H311-D315 IonicContact CD2-OD1 3.31Å; H311-D315 IonicContact CD2-OD2 2.76Å; H311-D315 PolarHBondContact CD2-OD2 3.01Å; H311-D315 VanDerWaalsContact CD2-OD2 3.24Å; H311-D315 IonicContact CG-OD2 3.48Å; H311-D315 IonicContact NE2-OD1 3.21Å; H311-D315 IonicContact NE2-OD2 2.69Å; H311-D315 PolarHBondContact O-N 3.39Å; H311-D315 VanDerWaalsContact O-N 3.12Å
316H91.1Very high90.4Very high40 Ų4050.9 Ų50.919%0.18525%0.246CC..THydrogen-bonded Turntrans-101.214.9-176.1-49.579.5000112.7E246 V249 Y312 Y314 M318 Q319 F320E246-H316 IonicContact OE2-CD2 3.48Å; E246-H316 IonicContact OE2-NE2 3.58Å; V249-H316 HydrophobicContact CG2-CB 3.8Å; Y312-H316 AromaticContact CD2-CE1 3.24Å; Y312-H316 WeakPolarHBondContact CD2-CE1 3.23Å; Y312-H316 AromaticContact CD2-ND1 3.31Å; Y312-H316 VanDerWaalsContact CD2-ND1 3.31Å; Y312-H316 WeakPolarHBondContact CD2-ND1 3.35Å; Y312-H316 AromaticContact CE2-CE1 3.19Å; Y312-H316 WeakPolarHBondContact CE2-CE1 3.39Å; Y312-H316 AromaticContact CE2-ND1 3.36Å; Y312-H316 WeakPolarHBondContact CE2-ND1 3.29Å; Y312-H316 AromaticContact CE2-NE2 3.69Å; Y312-H316 AromaticContact CG-ND1 3.74Å; Y312-H316 AromaticContact CZ-ND1 3.84Å; Y312-H316 PolarHBondContact O-N 3.3Å; Y312-H316 PolarHBondContact O-ND1 3.21Å; Y314-H316 VanDerWaalsContact C-N 3.27Å; Y314-H316 PolarHBondContact O-N 2.94Å; H316-M318 VanDerWaalsContact C-N 3.26Å; H316-M318 PolarHBondContact O-N 2.57Å; H316-M318 VanDerWaalsContact O-N 3.12Å; H316-Q319 HydrophobicContact CB-CB 4.42Å; H316-Q319 PolarHBondContact CD2-OE1 3.22Å; H316-Q319 WeakPolarHBondContact O-CA 3.34Å; H316-Q319 WeakPolarHBondContact O-CB 3.08Å; H316-Q319 PolarHBondContact O-N 3.06Å; H316-F320 HydrophobicContact CB-CD2 4.19Å; H316-F320 HydrophobicContact CB-CE2 4.15Å; H316-F320 WeakPolarHBondContact O-CD2 3.21Å; H316-F320 PolarHBondContact O-N 3.25Å
317F91.8Very high90.6Very high2 Ų245.2 Ų45.21%0.00922%0.221CC..Hα-helixtrans-53.7-39.9-171.4-171.8-128.1000113.8L222 L313 Y314 F320 A321 I391 M395 F458 S461 F465L222-F317 HydrophobicContact CD2-CD1 3.96Å; L222-F317 HydrophobicContact CD2-CE1 3.51Å; L222-F317 HydrophobicContact CD2-CZ 4.48Å; L313-F317 VanDerWaalsContact O-CA 3.25Å; L313-F317 WeakPolarHBondContact O-CA 3.47Å; L313-F317 WeakPolarHBondContact O-CB 3.45Å; L313-F317 PolarHBondContact O-N 2.96Å; Y314-F317 VanDerWaalsContact O-CB 3.25Å; Y314-F317 WeakPolarHBondContact O-CB 3.38Å; Y314-F317 PolarHBondContact O-N 3.42Å; Y314-F317 VanDerWaalsContact O-N 3.16Å; F317-F320 WeakPolarHBondContact O-CB 3.48Å; F317-F320 PolarHBondContact O-N 3.21Å; F317-A321 PolarHBondContact O-N 2.91Å; F317-I391 HydrophobicContact CD2-CG2 4.47Å; F317-I391 HydrophobicContact CE2-CB 4.44Å; F317-I391 HydrophobicContact CE2-CD1 4.13Å; F317-I391 HydrophobicContact CE2-CG1 4.14Å; F317-I391 HydrophobicContact CE2-CG2 3.45Å; F317-I391 VanDerWaalsContact CE2-CG2 3.45Å; F317-I391 HydrophobicContact CZ-CG2 3.75Å; F317-M395 HydrophobicContact CB-CE 4.4Å; F317-M395 HydrophobicContact CD1-CE 3.64Å; F317-M395 HydrophobicContact CD2-CE 3.53Å; F317-M395 HydrophobicContact CE1-CE 3.63Å; F317-M395 HydrophobicContact CE2-CE 3.54Å; F317-M395 HydrophobicContact CG-CE 3.6Å; F317-M395 HydrophobicContact CZ-CE 3.6Å; F317-F458 HydrophobicContact CD2-CD1 4Å; F317-F458 AromaticContact CD2-CE1 3.93Å; F317-F458 HydrophobicContact CD2-CE1 3.93Å; F317-F458 HydrophobicContact CE1-CD1 4.21Å; F317-F458 AromaticContact CE2-CD1 3.36Å; F317-F458 HydrophobicContact CE2-CD1 3.36Å; F317-F458 AromaticContact CE2-CE1 3.58Å; F317-F458 HydrophobicContact CE2-CE1 3.58Å; F317-F458 HydrophobicContact CZ-CB 4.45Å; F317-F458 AromaticContact CZ-CD1 3.49Å; F317-F458 HydrophobicContact CZ-CD1 3.49Å; F317-F458 VanDerWaalsContact CZ-CD1 3.49Å; F317-F458 HydrophobicContact CZ-CE1 4.19Å; F317-F458 HydrophobicContact CZ-CG 4.39Å; F317-S461 WeakPolarHBondContact CZ-OG 3.49Å; F317-F465 HydrophobicContact CB-CE2 4.5Å; F317-F465 HydrophobicContact CD1-CD1 4.12Å; F317-F465 AromaticContact CD1-CD2 3.78Å; F317-F465 HydrophobicContact CD1-CD2 3.78Å; F317-F465 HydrophobicContact CD1-CE1 4.08Å; F317-F465 AromaticContact CD1-CE2 3.74Å; F317-F465 HydrophobicContact CD1-CE2 3.74Å; F317-F465 AromaticContact CD1-CG 3.98Å; F317-F465 HydrophobicContact CD1-CG 3.98Å; F317-F465 AromaticContact CD1-CZ 3.9Å; F317-F465 HydrophobicContact CD1-CZ 3.9Å; F317-F465 HydrophobicContact CE1-CB 4.25Å; F317-F465 HydrophobicContact CE1-CD1 4.02Å; F317-F465 HydrophobicContact CE1-CD2 4.1Å; F317-F465 HydrophobicContact CE1-CE1 4.4Å; F317-F465 HydrophobicContact CE1-CE2 4.46Å; F317-F465 AromaticContact CE1-CG 3.87Å; F317-F465 HydrophobicContact CE1-CG 3.87Å; F317-F465 HydrophobicContact CG-CE2 4.48Å
318M90.8Very high91.2Very high36 Ų3637.9 Ų37.918%0.17719%0.186CC..Hα-helixtrans-65.5-37.3174.7-179.217557.500112.9F219 L223 P239 L244 H316 A321 V322F219-M318 HydrophobicContact CD2-CG 4.33Å; F219-M318 HydrophobicContact CD2-SD 4.33Å; F219-M318 HydrophobicContact CE2-CG 4.01Å; F219-M318 HydrophobicContact CE2-SD 3.62Å; F219-M318 HydrophobicContact CZ-SD 4.29Å; L223-M318 HydrophobicContact CD2-SD 3.67Å; L223-M318 HydrophobicContact CG-SD 4.37Å; P239-M318 HydrophobicContact CG-CE 4.22Å; P239-M318 HydrophobicContact CG-SD 4.36Å; L244-M318 HydrophobicContact CD2-CE 3.44Å; L244-M318 VanDerWaalsContact CD2-CE 3.44Å; L244-M318 HydrophobicContact CD2-CG 4.13Å; L244-M318 HydrophobicContact CD2-SD 3.64Å; H316-M318 VanDerWaalsContact C-N 3.26Å; H316-M318 PolarHBondContact O-N 2.57Å; H316-M318 VanDerWaalsContact O-N 3.12Å; M318-A321 WeakPolarHBondContact O-CB 3.42Å; M318-A321 PolarHBondContact O-N 2.81Å; M318-V322 WeakPolarHBondContact O-CG2 3.43Å; M318-V322 PolarHBondContact O-N 3.1Å
319Q92.9Very high91.8Very high24 Ų2434.6 Ų34.611%0.11217%0.174CC..Hα-helixtrans-71.4-32.1176-59.2178.6-11.600111.5S243 V249 H316 V322 S323S243-Q319 PolarHBondContact O-NE2 3Å; V249-Q319 HydrophobicContact CB-CB 4.43Å; V249-Q319 HydrophobicContact CG1-CB 3.95Å; V249-Q319 HydrophobicContact CG2-CB 4.48Å; H316-Q319 HydrophobicContact CB-CB 4.42Å; H316-Q319 PolarHBondContact CD2-OE1 3.22Å; H316-Q319 WeakPolarHBondContact O-CA 3.34Å; H316-Q319 WeakPolarHBondContact O-CB 3.08Å; H316-Q319 PolarHBondContact O-N 3.06Å; Q319-V322 PolarHBondContact O-N 3.5Å; Q319-S323 VanDerWaalsContact O-CB 3.22Å; Q319-S323 WeakPolarHBondContact O-CB 3.49Å; Q319-S323 PolarHBondContact O-N 3.31Å; Q319-S323 PolarHBondContact O-OG 3.06Å
320F94.9Very high92.5Very high12 Ų1230.8 Ų30.85%0.05317%0.167CC..Hα-helixtrans-63.2-41.2169.3-82.6-78.5000111V249 V252 F253 Y312 L313 H316 F317 S323 A324 F458V249-F320 HydrophobicContact CB-CE2 4.42Å; V249-F320 HydrophobicContact CB-CZ 4.4Å; V249-F320 HydrophobicContact CG1-CB 4.22Å; V249-F320 HydrophobicContact CG1-CD1 3.65Å; V249-F320 HydrophobicContact CG1-CD2 3.58Å; V249-F320 HydrophobicContact CG1-CE1 3.78Å; V249-F320 HydrophobicContact CG1-CE2 3.69Å; V249-F320 HydrophobicContact CG1-CG 3.53Å; V249-F320 HydrophobicContact CG1-CZ 3.8Å; V249-F320 HydrophobicContact CG2-CE2 4.1Å; V249-F320 HydrophobicContact CG2-CZ 4.37Å; V252-F320 HydrophobicContact CB-CE1 4.06Å; V252-F320 HydrophobicContact CB-CZ 4.19Å; V252-F320 HydrophobicContact CG1-CE1 3.86Å; V252-F320 HydrophobicContact CG1-CZ 3.96Å; F253-F320 HydrophobicContact CB-CD1 4.4Å; Y312-F320 HydrophobicContact CD1-CE2 4.42Å; Y312-F320 HydrophobicContact CE1-CE2 4.29Å; Y312-F320 HydrophobicContact CE1-CZ 4.3Å; L313-F320 HydrophobicContact CD1-CD1 4.22Å; L313-F320 HydrophobicContact CD1-CD2 3.88Å; L313-F320 HydrophobicContact CD1-CE1 4.02Å; L313-F320 HydrophobicContact CD1-CE2 3.68Å; L313-F320 HydrophobicContact CD1-CG 4.17Å; L313-F320 HydrophobicContact CD1-CZ 3.75Å; H316-F320 HydrophobicContact CB-CD2 4.19Å; H316-F320 HydrophobicContact CB-CE2 4.15Å; H316-F320 WeakPolarHBondContact O-CD2 3.21Å; H316-F320 PolarHBondContact O-N 3.25Å; F317-F320 WeakPolarHBondContact O-CB 3.48Å; F317-F320 PolarHBondContact O-N 3.21Å; F320-S323 WeakPolarHBondContact O-CB 3.17Å; F320-S323 PolarHBondContact O-N 3.25Å; F320-A324 WeakPolarHBondContact O-CB 3.35Å; F320-A324 PolarHBondContact O-N 3.33Å; F320-F458 VanDerWaalsContact C-CZ 3.46Å; F320-F458 HydrophobicContact CB-CE1 3.8Å; F320-F458 HydrophobicContact CB-CZ 3.86Å
321A94.4Very high93Very high8 Ų830.2 Ų30.27%0.06617%0.165CC..Hα-helixtrans-64.1-43.7175.100000112.6L222 F317 M318 A324 A325 F458L222-A321 HydrophobicContact CD1-CB 3.58Å; F317-A321 PolarHBondContact O-N 2.91Å; M318-A321 WeakPolarHBondContact O-CB 3.42Å; M318-A321 PolarHBondContact O-N 2.81Å; A321-A324 PolarHBondContact O-N 2.89Å; A321-A325 WeakPolarHBondContact O-CB 3.34Å; A321-A325 PolarHBondContact O-N 2.97Å; A321-F458 HydrophobicContact CB-CB 4.46Å; A321-F458 HydrophobicContact CB-CD1 3.67Å; A321-F458 HydrophobicContact CB-CD2 4.1Å; A321-F458 HydrophobicContact CB-CE1 3.91Å; A321-F458 HydrophobicContact CB-CE2 4.33Å; A321-F458 HydrophobicContact CB-CG 3.81Å; A321-F458 HydrophobicContact CB-CZ 4.25Å
322V94.2Very high93.6Very high33 Ų3328.6 Ų28.620%0.216%0.157CC..Hα-helixtrans-65.2-41.3174.8175.20000111.3W245 M318 Q319 A324 A325 T326W245-V322 HydrophobicContact CE3-CG1 4.23Å; M318-V322 WeakPolarHBondContact O-CG2 3.43Å; M318-V322 PolarHBondContact O-N 3.1Å; Q319-V322 PolarHBondContact O-N 3.5Å; V322-A324 PolarHBondContact O-N 3.4Å; V322-A325 PolarHBondContact O-N 3.33Å; V322-T326 PolarHBondContact O-N 3.11Å; V322-T326 PolarHBondContact O-OG1 3.11Å
323S95.3Very high93.9Very high0 Ų029.4 Ų29.40%017%0.166CC..Hα-helixtrans-58.6-46.6175.2-670000111.8Q319 F320 F327Q319-S323 VanDerWaalsContact O-CB 3.22Å; Q319-S323 WeakPolarHBondContact O-CB 3.49Å; Q319-S323 PolarHBondContact O-N 3.31Å; Q319-S323 PolarHBondContact O-OG 3.06Å; F320-S323 WeakPolarHBondContact O-CB 3.17Å; F320-S323 PolarHBondContact O-N 3.25Å; S323-F327 WeakPolarHBondContact O-CB 3.45Å; S323-F327 PolarHBondContact O-N 3.35Å
324A95.9Very high94.2Very high0 Ų032.9 Ų32.90%018%0.177CC..Hα-helixtrans-66.2-39.3177.300000112.3F253 F320 A321 V322 F327 S328 V454 F458F253-A324 HydrophobicContact CD2-CB 4.03Å; F253-A324 HydrophobicContact CE2-CB 3.45Å; F253-A324 VanDerWaalsContact CE2-CB 3.45Å; F253-A324 HydrophobicContact CZ-CB 3.81Å; F320-A324 WeakPolarHBondContact O-CB 3.35Å; F320-A324 PolarHBondContact O-N 3.33Å; A321-A324 PolarHBondContact O-N 2.89Å; V322-A324 PolarHBondContact O-N 3.4Å; A324-F327 PolarHBondContact O-N 3.02Å; A324-S328 WeakPolarHBondContact O-CB 3.42Å; A324-S328 PolarHBondContact O-N 3.23Å; A324-V454 HydrophobicContact CB-CG2 3.98Å; A324-F458 HydrophobicContact CB-CE2 3.75Å; A324-F458 HydrophobicContact CB-CZ 4.35Å
325A95.8Very high94.3Very high22 Ų2232.2 Ų32.218%0.18218%0.175CC..Hα-helixtrans-64-46.4175.100000112.6A321 V322 S328 M329 F450 V454A321-A325 WeakPolarHBondContact O-CB 3.34Å; A321-A325 PolarHBondContact O-N 2.97Å; V322-A325 PolarHBondContact O-N 3.33Å; A325-S328 PolarHBondContact O-N 2.97Å; A325-M329 WeakPolarHBondContact O-CB 3.47Å; A325-M329 PolarHBondContact O-N 3.41Å; A325-F450 HydrophobicContact CB-CE2 3.86Å; A325-V454 HydrophobicContact CB-CG2 4.45Å
326T95.3Very high94.4Very high71 Ų7130.3 Ų30.344%0.43616%0.163SC..Hα-helixtrans-63.3-42.2175.8-66.20000111.4W245 V322 M329 G330W245-T326 HydrophobicContact CH2-CG2 4.18Å; W245-T326 HydrophobicContact CZ3-CG2 4.09Å; V322-T326 PolarHBondContact O-N 3.11Å; V322-T326 PolarHBondContact O-OG1 3.11Å; T326-M329 PolarHBondContact O-N 3.1Å; T326-G330 PolarHBondContact O-N 2.96Å
327F96.2Very high94.5Very high37 Ų3732.5 Ų32.516%0.16218%0.179CC..Hα-helixtrans-64.6-44.3175-179-94.7000112.3F250 F253 L254 F257 S323 A324 M329 G330 L331 L453F250-F327 HydrophobicContact CE2-CB 4.34Å; F253-F327 HydrophobicContact CD1-CB 4.31Å; F253-F327 HydrophobicContact CD1-CG 4.48Å; F253-F327 HydrophobicContact CE1-CB 3.61Å; F253-F327 AromaticContact CE1-CD1 3.71Å; F253-F327 HydrophobicContact CE1-CD1 3.71Å; F253-F327 HydrophobicContact CE1-CD2 4.3Å; F253-F327 HydrophobicContact CE1-CE1 4.46Å; F253-F327 AromaticContact CE1-CG 3.61Å; F253-F327 HydrophobicContact CE1-CG 3.61Å; F253-F327 HydrophobicContact CZ-CB 4.38Å; F253-F327 HydrophobicContact CZ-CD1 4.15Å; F253-F327 HydrophobicContact CZ-CG 4.43Å; L254-F327 HydrophobicContact CD2-CD2 3.53Å; L254-F327 HydrophobicContact CD2-CE2 3.55Å; F257-F327 HydrophobicContact CD1-CE1 4.33Å; F257-F327 AromaticContact CD1-CZ 3.88Å; F257-F327 HydrophobicContact CD1-CZ 3.88Å; F257-F327 AromaticContact CD2-CE1 3.77Å; F257-F327 HydrophobicContact CD2-CE1 3.77Å; F257-F327 HydrophobicContact CD2-CZ 4.15Å; F257-F327 HydrophobicContact CE1-CE1 4.15Å; F257-F327 AromaticContact CE1-CZ 3.73Å; F257-F327 HydrophobicContact CE1-CZ 3.73Å; F257-F327 AromaticContact CE2-CE1 3.55Å; F257-F327 HydrophobicContact CE2-CE1 3.55Å; F257-F327 HydrophobicContact CE2-CZ 4Å; F257-F327 HydrophobicContact CG-CE1 4.16Å; F257-F327 HydrophobicContact CG-CZ 4.09Å; F257-F327 AromaticContact CZ-CE1 3.76Å; F257-F327 HydrophobicContact CZ-CE1 3.76Å; F257-F327 AromaticContact CZ-CZ 3.79Å; F257-F327 HydrophobicContact CZ-CZ 3.79Å; S323-F327 WeakPolarHBondContact O-CB 3.45Å; S323-F327 PolarHBondContact O-N 3.35Å; A324-F327 PolarHBondContact O-N 3.02Å; F327-M329 VanDerWaalsContact C-N 3.34Å; F327-M329 PolarHBondContact O-N 3.23Å; F327-G330 PolarHBondContact O-N 3.37Å; F327-L331 HydrophobicContact CE1-CB 4.45Å; F327-L331 HydrophobicContact CE1-CD2 4.25Å; F327-L331 WeakPolarHBondContact O-CB 3.46Å; F327-L331 PolarHBondContact O-N 2.88Å; F327-L453 HydrophobicContact CD1-CD1 3.88Å; F327-L453 HydrophobicContact CE1-CD1 3.95Å
328S96.2Very high94.4Very high0 Ų035.3 Ų35.30%019%0.189CC..Hα-helixtrans-60.4-41.5176.8175.40000112.1A324 A325 L331 S332 A449 F450A324-S328 WeakPolarHBondContact O-CB 3.42Å; A324-S328 PolarHBondContact O-N 3.23Å; A325-S328 PolarHBondContact O-N 2.97Å; S328-L331 PolarHBondContact O-N 2.77Å; S328-S332 WeakPolarHBondContact O-CB 3.41Å; S328-S332 PolarHBondContact O-N 3.17Å; S328-S332 PolarHBondContact O-OG 2.75Å; S328-A449 PolarHBondContact OG-O 3.06Å; S328-F450 VanDerWaalsContact OG-CA 3.22Å; S328-F450 WeakPolarHBondContact OG-CA 3.47Å; S328-F450 PolarHBondContact OG-N 3.23Å; S328-F450 VanDerWaalsContact OG-N 3.08Å
329M95.8Very high94.3Very high61 Ų6133.7 Ų33.730%0.318%0.181SC..Hα-helixtrans-60.6-47.4172.7-173.264.675.200111.5I211 A325 T326 F327 S332 I333 F360 F446I211-M329 HydrophobicContact CG2-CE 4.06Å; A325-M329 WeakPolarHBondContact O-CB 3.47Å; A325-M329 PolarHBondContact O-N 3.41Å; T326-M329 PolarHBondContact O-N 3.1Å; F327-M329 VanDerWaalsContact C-N 3.34Å; F327-M329 PolarHBondContact O-N 3.23Å; M329-S332 WeakPolarHBondContact O-CB 3.14Å; M329-S332 PolarHBondContact O-N 3.28Å; M329-I333 HydrophobicContact CG-CD1 4.22Å; M329-I333 WeakPolarHBondContact O-CG1 3.41Å; M329-I333 PolarHBondContact O-N 2.6Å; M329-F360 HydrophobicContact SD-CE1 4.37Å; M329-F360 HydrophobicContact SD-CZ 3.89Å; M329-F446 HydrophobicContact CE-CD2 4.15Å; M329-F446 HydrophobicContact CE-CE2 3.52Å; M329-F446 HydrophobicContact CE-CZ 4.09Å; M329-F446 HydrophobicContact SD-CD2 4.08Å; M329-F446 HydrophobicContact SD-CE2 4.01Å
330G96.1Very high94.1Very high40 Ų4037.7 Ų37.741%0.41220%0.203SC..Hα-helixtrans-61.5-43.1176.600000113.4T326 F327 I333 Y334T326-G330 PolarHBondContact O-N 2.96Å; F327-G330 PolarHBondContact O-N 3.37Å; G330-I333 PolarHBondContact O-N 3.24Å; G330-Y334 PolarHBondContact O-N 2.76Å
331L95.1Very high93.7Very high15 Ų1546.1 Ų46.18%0.07924%0.24CC..Hα-helixtrans-60.6-44.4173.9177.260.2000110.9F327 S328 I333 Y334 L335 L375 F444 A449 L453F327-L331 HydrophobicContact CE1-CB 4.45Å; F327-L331 HydrophobicContact CE1-CD2 4.25Å; F327-L331 WeakPolarHBondContact O-CB 3.46Å; F327-L331 PolarHBondContact O-N 2.88Å; S328-L331 PolarHBondContact O-N 2.77Å; L331-I333 VanDerWaalsContact C-N 3.34Å; L331-I333 PolarHBondContact O-N 2.92Å; L331-Y334 HydrophobicContact CD1-CD1 4.26Å; L331-Y334 WeakPolarHBondContact O-CB 3.48Å; L331-Y334 PolarHBondContact O-N 3.24Å; L331-L335 HydrophobicContact CD1-CD1 4.18Å; L331-L335 HydrophobicContact CD1-CG 4.18Å; L331-L335 HydrophobicContact CG-CD1 3.92Å; L331-L335 HydrophobicContact CG-CG 4.38Å; L331-L335 WeakPolarHBondContact O-CB 3.18Å; L331-L335 WeakPolarHBondContact O-CG 3.49Å; L331-L335 PolarHBondContact O-N 3.02Å; L331-L375 HydrophobicContact CD1-CD2 4.48Å; L331-F444 HydrophobicContact CD2-CE1 4.39Å; L331-F444 HydrophobicContact CD2-CZ 4.5Å; L331-A449 HydrophobicContact CD2-CB 4.32Å; L331-L453 HydrophobicContact CD2-CD1 3.83Å
332S95.3Very high93.2Very high1 Ų146.9 Ų46.91%0.00725%0.246CC..Hα-helixtrans-62.4-39.3178.1-56.20000112.5S328 M329 L335 Y336 F446S328-S332 WeakPolarHBondContact O-CB 3.41Å; S328-S332 PolarHBondContact O-N 3.17Å; S328-S332 PolarHBondContact O-OG 2.75Å; M329-S332 WeakPolarHBondContact O-CB 3.14Å; M329-S332 PolarHBondContact O-N 3.28Å; S332-L335 PolarHBondContact O-N 3.27Å; S332-Y336 WeakPolarHBondContact O-CB 3.19Å; S332-Y336 PolarHBondContact O-N 2.94Å; S332-F446 VanDerWaalsContact OG-CA 3.28Å; S332-F446 WeakPolarHBondContact OG-CA 3.46Å
333I95.1Very high92.7Very high90 Ų9048.4 Ų48.446%0.46226%0.256SS..Hα-helixtrans-65-45.6173.9-66.9163.8000110.6M329 G330 L331 L335 Y336 V337 F360M329-I333 HydrophobicContact CG-CD1 4.22Å; M329-I333 WeakPolarHBondContact O-CG1 3.41Å; M329-I333 PolarHBondContact O-N 2.6Å; G330-I333 PolarHBondContact O-N 3.24Å; L331-I333 VanDerWaalsContact C-N 3.34Å; L331-I333 PolarHBondContact O-N 2.92Å; I333-L335 PolarHBondContact O-N 3.48Å; I333-Y336 PolarHBondContact O-N 3.03Å; I333-V337 HydrophobicContact CG2-CG2 4.42Å; I333-V337 WeakPolarHBondContact O-CB 3.49Å; I333-V337 WeakPolarHBondContact O-CG2 3.33Å; I333-V337 PolarHBondContact O-N 3.31Å; I333-F360 HydrophobicContact CG1-CE2 3.93Å; I333-F360 HydrophobicContact CG1-CZ 4.34Å
334Y94.9Very high91.9Very high105 Ų10553.8 Ų53.841%0.41228%0.282SS..Hα-helixtrans-57.9-47.8174.7163.9-97.6000111.8G330 L331 Y336 V337 R338 L375G330-Y334 PolarHBondContact O-N 2.76Å; L331-Y334 HydrophobicContact CD1-CD1 4.26Å; L331-Y334 WeakPolarHBondContact O-CB 3.48Å; L331-Y334 PolarHBondContact O-N 3.24Å; Y334-Y336 PolarHBondContact O-N 3.3Å; Y334-V337 PolarHBondContact O-N 2.87Å; Y334-R338 WeakPolarHBondContact O-CB 3.22Å; Y334-R338 PolarHBondContact O-N 3.07Å; Y334-L375 HydrophobicContact CE1-CD1 4.12Å
335L93.3Very high91Very high6 Ų657.1 Ų57.13%0.03130%0.297CS..Hα-helixtrans-60.4-44.3178.9-70.6168.9000111.7L331 S332 I333 R338 S339 P368 L375 F444L331-L335 HydrophobicContact CD1-CD1 4.18Å; L331-L335 HydrophobicContact CD1-CG 4.18Å; L331-L335 HydrophobicContact CG-CD1 3.92Å; L331-L335 HydrophobicContact CG-CG 4.38Å; L331-L335 WeakPolarHBondContact O-CB 3.18Å; L331-L335 WeakPolarHBondContact O-CG 3.49Å; L331-L335 PolarHBondContact O-N 3.02Å; S332-L335 PolarHBondContact O-N 3.27Å; I333-L335 PolarHBondContact O-N 3.48Å; L335-R338 PolarHBondContact O-N 3.5Å; L335-S339 WeakPolarHBondContact O-CB 3.48Å; L335-S339 PolarHBondContact O-N 3.05Å; L335-P368 HydrophobicContact CD2-CB 3.77Å; L335-P368 HydrophobicContact CD2-CG 3.6Å; L335-L375 HydrophobicContact CD2-CD1 4.01Å; L335-F444 HydrophobicContact CD1-CD1 3.31Å; L335-F444 HydrophobicContact CD1-CE1 3.52Å; L335-F444 HydrophobicContact CD1-CG 4.14Å; L335-F444 HydrophobicContact CD1-CZ 4.47Å; L335-F444 HydrophobicContact CD2-CD1 3.92Å; L335-F444 HydrophobicContact CD2-CE1 4.42Å; L335-F444 HydrophobicContact CG-CD1 4.25Å
336Y92.2Very high90.4Very high33 Ų3358.2 Ų58.213%0.12930%0.3CS..Hα-helixtrans-65.1-50.4176.9-170.1-94.8000111.8S332 I333 Y334 R338 S339 L340 F356 D359 F360 H364S332-Y336 WeakPolarHBondContact O-CB 3.19Å; S332-Y336 PolarHBondContact O-N 2.94Å; I333-Y336 PolarHBondContact O-N 3.03Å; Y334-Y336 PolarHBondContact O-N 3.3Å; Y336-R338 VanDerWaalsContact C-N 3.26Å; Y336-R338 PolarHBondContact O-N 3.47Å; Y336-S339 PolarHBondContact O-N 3.29Å; Y336-S339 VanDerWaalsContact O-N 3.08Å; Y336-S339 PolarHBondContact O-OG 2.98Å; Y336-L340 HydrophobicContact CE1-CD1 4.29Å; Y336-L340 HydrophobicContact CE1-CD2 4.12Å; Y336-L340 HydrophobicContact CE1-CG 4.37Å; Y336-L340 PolarHBondContact O-N 3.46Å; Y336-F356 HydrophobicContact CD1-CD2 4.26Å; Y336-F356 AromaticContact CD1-CE2 3.82Å; Y336-F356 HydrophobicContact CD1-CE2 3.82Å; Y336-F356 AromaticContact CE1-CD2 3.43Å; Y336-F356 HydrophobicContact CE1-CD2 3.43Å; Y336-F356 VanDerWaalsContact CE1-CD2 3.43Å; Y336-F356 AromaticContact CE1-CE2 3.42Å; Y336-F356 HydrophobicContact CE1-CE2 3.42Å; Y336-F356 VanDerWaalsContact CE1-CE2 3.42Å; Y336-F356 AromaticContact CZ-CD2 3.61Å; Y336-D359 HydrophobicContact CE2-CB 4.05Å; Y336-F360 HydrophobicContact CD2-CB 4.04Å; Y336-F360 HydrophobicContact CE2-CB 4.42Å; Y336-F360 HydrophobicContact CG-CB 4.49Å; Y336-F360 HydrophobicContact CG-CD2 4.23Å; Y336-H364 HydrophobicContact CE2-CB 4.49Å
337V92.3Very high89.8Confident86 Ų8655.5 Ų55.552%0.52128%0.283SS..Hα-helixtrans-61-35.3179171.70000112.2I333 Y334I333-V337 HydrophobicContact CG2-CG2 4.42Å; I333-V337 WeakPolarHBondContact O-CB 3.49Å; I333-V337 WeakPolarHBondContact O-CG2 3.33Å; I333-V337 PolarHBondContact O-N 3.31Å; Y334-V337 PolarHBondContact O-N 2.87Å
338R90.7Very high89.2Confident61 Ų6153.8 Ų53.823%0.2328%0.275CS..Hα-helixtrans-64.6-47.6172.1172-167.6157.310614111.6Y334 L335 Y336 L340 K341 E365 R369Y334-R338 WeakPolarHBondContact O-CB 3.22Å; Y334-R338 PolarHBondContact O-N 3.07Å; L335-R338 PolarHBondContact O-N 3.5Å; Y336-R338 VanDerWaalsContact C-N 3.26Å; Y336-R338 PolarHBondContact O-N 3.47Å; R338-L340 PolarHBondContact O-N 2.95Å; R338-L340 VanDerWaalsContact O-N 3.17Å; R338-K341 PolarHBondContact O-N 3.43Å; R338-E365 WeakPolarHBondContact CD-OE2 3.45Å; R338-E365 IonicContact CZ-OE1 3.72Å; R338-E365 IonicContact CZ-OE2 3.95Å; R338-E365 IonicContact NE-OE1 2.63Å; R338-E365 PolarHBondContact NE-OE1 3.29Å; R338-E365 IonicContact NE-OE2 3.96Å; R338-E365 PolarHBondContact NE-OE2 2.88Å; R338-E365 IonicContact NH2-OE1 3.99Å; R338-E365 PolarHBondContact NH2-OE1 2.95Å; R338-E365 IonicContact NH2-OE2 3.24Å; R338-R369 VanDerWaalsContact CZ-O 3.26Å; R338-R369 PolarHBondContact NH1-O 3.49Å; R338-R369 PolarHBondContact NH2-O 3.48Å
339S89.1Confident88.2Confident2 Ų256.7 Ų56.71%0.01429%0.294CS..Hα-helixtrans-61-25.9-175.873.40000113.9L335 Y336 K341 A342 H364L335-S339 WeakPolarHBondContact O-CB 3.48Å; L335-S339 PolarHBondContact O-N 3.05Å; Y336-S339 PolarHBondContact O-N 3.29Å; Y336-S339 VanDerWaalsContact O-N 3.08Å; Y336-S339 PolarHBondContact O-OG 2.98Å; S339-K341 PolarHBondContact O-N 2.83Å; S339-A342 WeakPolarHBondContact O-CB 3.32Å; S339-A342 PolarHBondContact O-N 2.88Å; S339-H364 WeakPolarHBondContact OG-CB 3.41Å; S339-H364 PolarHBondContact OG-CD2 2.67Å
340L87.3Confident87.2Confident109 Ų10954.4 Ų54.457%0.57129%0.286SS*.THydrogen-bonded Turntrans-62.7-10172.4-59.5176.7000113.8Y336 R338Y336-L340 HydrophobicContact CE1-CD1 4.29Å; Y336-L340 HydrophobicContact CE1-CD2 4.12Å; Y336-L340 HydrophobicContact CE1-CG 4.37Å; Y336-L340 PolarHBondContact O-N 3.46Å; R338-L340 PolarHBondContact O-N 2.95Å; R338-L340 VanDerWaalsContact O-N 3.17Å
341K87.4Confident86.3Confident189 Ų18952.5 Ų52.582%0.82227%0.267SS*.THydrogen-bonded Turntrans-1141.2174.7-57.5-179.2-178.4179.20113R338 S339R338-K341 PolarHBondContact O-N 3.43Å; S339-K341 PolarHBondContact O-N 2.83Å
342A84.6Confident85.7Confident24 Ų2452.3 Ų52.320%0.19827%0.266CS..SBendtrans-76.6147.8176.700000110.8S339 L347 E365S339-A342 WeakPolarHBondContact O-CB 3.32Å; S339-A342 PolarHBondContact O-N 2.88Å; A342-L347 HydrophobicContact CB-CD2 4.23Å; A342-E365 HydrophobicContact CB-CG 4.35Å
343P83Confident85Confident64 Ų6452.9 Ų52.942%0.41627%0.27SS..  trans-72.1151.2175.532.8-36.1000110.9E345 D346P343-E345 HydrophobicContact CB-CG 4.04Å; P343-E345 HydrophobicContact CG-CG 3.97Å; P343-E345 PolarHBondContact O-N 2.86Å; P343-D346 HydrophobicContact CG-CB 4.32Å; P343-D346 WeakPolarHBondContact CG-OD2 3.07Å; P343-D346 PolarHBondContact O-N 2.9Å
344E78.9Confident84.3Confident113 Ų11351.4 Ų51.453%0.52828%0.276SS..THydrogen-bonded Turntrans-57.8-20.2-175.7-69.5-160.9164.400114.6S193 L347S193-E344 VanDerWaalsContact CB-O 3.27Å; S193-E344 WeakPolarHBondContact CB-O 3.25Å; E344-L347 HydrophobicContact CB-CD1 4.46Å; E344-L347 HydrophobicContact CG-CD1 4.43Å
345E76.7Confident83.8Confident71 Ų7150.8 Ų50.833%0.33227%0.274SS..THydrogen-bonded Turntrans-75.1-24.3178.356.9169.3167.900114.9N279 R281 P343N279-E345 WeakPolarHBondContact CB-OE2 3.33Å; N279-E345 PolarHBondContact ND2-OE2 3.02Å; R281-E345 VanDerWaalsContact CZ-CD 3.47Å; R281-E345 IonicContact CZ-OE1 3.11Å; R281-E345 IonicContact CZ-OE2 3.08Å; R281-E345 IonicContact NE-OE2 2.69Å; R281-E345 IonicContact NH1-OE1 2.81Å; R281-E345 PolarHBondContact NH1-OE1 3.41Å; R281-E345 IonicContact NH1-OE2 2.62Å; R281-E345 PolarHBondContact NH1-OE2 3.07Å; R281-E345 IonicContact NH2-OE1 2.66Å; R281-E345 PolarHBondContact NH2-OE1 2.89Å; R281-E345 IonicContact NH2-OE2 3.23Å; R281-E345 PolarHBondContact NH2-OE2 2.94Å; P343-E345 HydrophobicContact CB-CG 4.04Å; P343-E345 HydrophobicContact CG-CG 3.97Å; P343-E345 PolarHBondContact O-N 2.86Å
346D82Confident83.6Confident45 Ų4556.7 Ų56.724%0.24130%0.3CS..SBendtrans-99.43.8-179.6-66.8-36.7000112.1P343 L366P343-D346 HydrophobicContact CG-CB 4.32Å; P343-D346 WeakPolarHBondContact CG-OD2 3.07Å; P343-D346 PolarHBondContact O-N 2.9Å; D346-L366 VanDerWaalsContact O-CB 3.31Å; D346-L366 WeakPolarHBondContact O-CB 3.28Å; D346-L366 PolarHBondContact O-N 3.17Å
347L83.8Confident83.4Confident14 Ų1457.2 Ų57.27%0.07331%0.306CS..BIsolated β-bridgetrans-76.3140177.1-62.4-177.6000112.6A342 E344 H364A342-L347 HydrophobicContact CB-CD2 4.23Å; E344-L347 HydrophobicContact CB-CD1 4.46Å; E344-L347 HydrophobicContact CG-CD1 4.43Å; L347-H364 CarbonylContact C-O 3.58Å; L347-H364 VanDerWaalsContact CA-O 3.3Å; L347-H364 WeakPolarHBondContact CA-O 3.24Å; L347-H364 WeakPolarHBondContact CD2-O 3.33Å
348A82.5Confident83.3Confident0 Ų053.2 Ų53.20%028%0.282CS..  trans-67.8126.5-179.300000111.9G350 G351 N352 G363 H364 L366A348-G350 PolarHBondContact O-N 2.98Å; A348-G350 VanDerWaalsContact O-N 3.16Å; A348-G351 PolarHBondContact O-N 3.21Å; A348-N352 PolarHBondContact O-N 3.42Å; A348-G363 WeakPolarHBondContact CB-O 3.36Å; A348-H364 PolarHBondContact N-O 3.31Å; A348-L366 HydrophobicContact CB-CB 4.35Å; A348-L366 HydrophobicContact CB-CD1 4.12Å
349P76.2Confident83.2Confident62 Ų6250.4 Ų50.440%0.40327%0.272SS..THydrogen-bonded Turntrans-60.4-26.9178.9-25.735.2000114.4T196T196-P349 PolarHBondContact OG1-O 3.38Å
350G74.9Confident83.4Confident13 Ų1351.1 Ų51.113%0.13427%0.274CS..THydrogen-bonded Turntrans-85.8-14.1175.200000115A348 Y358A348-G350 PolarHBondContact O-N 2.98Å; A348-G350 VanDerWaalsContact O-N 3.16Å; G350-Y358 VanDerWaalsContact O-CE1 3.25Å; G350-Y358 WeakPolarHBondContact O-CE1 3.14Å; G350-Y358 PolarHBondContact O-OH 3.41Å
351G76.8Confident83.6Confident0 Ų046 Ų460%025%0.247CC..SBendtrans-122.722.2-172.100000114.6A348 D359 G363 H364A348-G351 PolarHBondContact O-N 3.21Å; G351-D359 VanDerWaalsContact C-OD1 3.26Å; G351-D359 WeakPolarHBondContact O-CB 3.18Å; G351-D359 VanDerWaalsContact O-CG 3.25Å; G351-G363 WeakPolarHBondContact CA-O 3.43Å; G351-H364 PolarHBondContact O-ND1 2.91Å
352N82.4Confident83.7Confident11 Ų1137 Ų376%0.05921%0.209CC..  trans-112.352.8176.2-172.56000109.9S193 K195 T196 A348S193-N352 PolarHBondContact OG-ND2 2.87Å; S193-N352 VanDerWaalsContact OG-ND2 3.15Å; K195-N352 CarbonylContact C-O 3.29Å; K195-N352 VanDerWaalsContact CA-O 3.28Å; K195-N352 WeakPolarHBondContact CA-O 3.31Å; T196-N352 PolarHBondContact N-O 3.38Å; T196-N352 VanDerWaalsContact OG1-C 3.3Å; T196-N352 PolarHBondContact OG1-N 3.47Å; T196-N352 VanDerWaalsContact OG1-N 3.14Å; T196-N352 PolarHBondContact OG1-O 3.16Å; A348-N352 PolarHBondContact O-N 3.42Å
353S81.2Confident84Confident13 Ų1336 Ų369%0.09120%0.2CC..SBendtrans-87-26.1-176.373.90000113.6Y355 Y358 D359S353-Y355 WeakPolarHBondContact OG-CD2 3.4Å; S353-Y355 PolarHBondContact OG-N 3.33Å; S353-Y358 VanDerWaalsContact OG-CD1 3.28Å; S353-Y358 WeakPolarHBondContact OG-CD1 3.2Å; S353-D359 VanDerWaalsContact CB-OD1 3.27Å; S353-D359 WeakPolarHBondContact CB-OD1 3.27Å; S353-D359 PolarHBondContact N-OD1 3.17Å; S353-D359 VanDerWaalsContact OG-CG 3.24Å; S353-D359 PolarHBondContact OG-OD1 3.21Å; S353-D359 PolarHBondContact OG-OD2 2.89Å
354G79.4Confident84.2Confident58 Ų5834.2 Ų34.260%0.59819%0.186SC*.SBendtrans85.317.6-172.100000113.7D359G354-D359 WeakPolarHBondContact CA-OD2 3.5Å; G354-D359 PolarHBondContact N-OD2 3.28Å
355Y85.4Confident84.7Confident93 Ų9329.5 Ų29.537%0.36516%0.164SC..  trans-121.3104.5177.3-54.5-62.9000110L199 R204 S353 V357 Y358 D359L199-Y355 HydrophobicContact CD1-CD2 4.39Å; L199-Y355 HydrophobicContact CD1-CE2 4.39Å; R204-Y355 HydrophobicContact CG-CD2 4.26Å; R204-Y355 HydrophobicContact CG-CG 4.21Å; R204-Y355 VanDerWaalsContact NE-CD1 3.32Å; R204-Y355 VanDerWaalsContact NE-CE1 3.34Å; R204-Y355 PolarHBondContact NH2-OH 3.16Å; S353-Y355 WeakPolarHBondContact OG-CD2 3.4Å; S353-Y355 PolarHBondContact OG-N 3.33Å; Y355-V357 VanDerWaalsContact C-N 3.33Å; Y355-V357 PolarHBondContact O-N 3.45Å; Y355-V357 VanDerWaalsContact O-N 3.07Å; Y355-Y358 PolarHBondContact O-N 3.44Å; Y355-D359 PolarHBondContact N-OD2 2.86Å; Y355-D359 PolarHBondContact O-N 3.27Å
356F87.9Confident85.3Confident129 Ų12927 Ų2757%0.56615%0.153SC*.Hα-helixtrans-34.3-57.5-177.3174.6-96.4000114.6Y336 Y358 D359 F360Y336-F356 HydrophobicContact CD1-CD2 4.26Å; Y336-F356 AromaticContact CD1-CE2 3.82Å; Y336-F356 HydrophobicContact CD1-CE2 3.82Å; Y336-F356 AromaticContact CE1-CD2 3.43Å; Y336-F356 HydrophobicContact CE1-CD2 3.43Å; Y336-F356 VanDerWaalsContact CE1-CD2 3.43Å; Y336-F356 AromaticContact CE1-CE2 3.42Å; Y336-F356 HydrophobicContact CE1-CE2 3.42Å; Y336-F356 VanDerWaalsContact CE1-CE2 3.42Å; Y336-F356 AromaticContact CZ-CD2 3.61Å; F356-Y358 VanDerWaalsContact C-N 3.35Å; F356-Y358 PolarHBondContact O-N 2.84Å; F356-D359 PolarHBondContact O-N 3.1Å; F356-F360 WeakPolarHBondContact O-CB 3.27Å; F356-F360 PolarHBondContact O-N 3.42Å
357V89.4Confident85.7Confident45 Ų4525.6 Ų25.627%0.27315%0.146SC..Hα-helixtrans-63.6-37.8-176.2-178.10000112.9F208 I211 Y355 F361F208-V357 HydrophobicContact CB-CG1 3.89Å; F208-V357 HydrophobicContact CD2-CG1 3.95Å; F208-V357 HydrophobicContact CG-CG1 4.44Å; I211-V357 HydrophobicContact CD1-CG1 3.88Å; Y355-V357 VanDerWaalsContact C-N 3.33Å; Y355-V357 PolarHBondContact O-N 3.45Å; Y355-V357 VanDerWaalsContact O-N 3.07Å; V357-F361 WeakPolarHBondContact O-CB 3.07Å; V357-F361 PolarHBondContact O-N 2.89Å; V357-F361 VanDerWaalsContact O-N 3.1Å
358Y89.3Confident86.1Confident1 Ų125 Ų250%0.00414%0.142CC..Hα-helixtrans-76.7-43.7-179178.8-83.8000110.8L199 E200 T207 G350 S353 Y355 F356 F360 F361 T362L199-Y358 HydrophobicContact CB-CE2 3.89Å; L199-Y358 HydrophobicContact CD2-CD1 4.12Å; L199-Y358 HydrophobicContact CD2-CD2 4.38Å; L199-Y358 HydrophobicContact CD2-CE1 3.8Å; L199-Y358 HydrophobicContact CD2-CE2 4.09Å; L199-Y358 HydrophobicContact CD2-CG 4.41Å; L199-Y358 HydrophobicContact CG-CE2 4.49Å; E200-Y358 PolarHBondContact N-OH 3.47Å; T207-Y358 HydrophobicContact CG2-CD2 3.5Å; T207-Y358 VanDerWaalsContact CG2-CD2 3.5Å; T207-Y358 HydrophobicContact CG2-CE2 3.93Å; T207-Y358 HydrophobicContact CG2-CG 4.4Å; G350-Y358 VanDerWaalsContact O-CE1 3.25Å; G350-Y358 WeakPolarHBondContact O-CE1 3.14Å; G350-Y358 PolarHBondContact O-OH 3.41Å; S353-Y358 VanDerWaalsContact OG-CD1 3.28Å; S353-Y358 WeakPolarHBondContact OG-CD1 3.2Å; Y355-Y358 PolarHBondContact O-N 3.44Å; F356-Y358 VanDerWaalsContact C-N 3.35Å; F356-Y358 PolarHBondContact O-N 2.84Å; Y358-F360 VanDerWaalsContact C-N 3.29Å; Y358-F360 PolarHBondContact O-N 3.06Å; Y358-F361 PolarHBondContact O-N 2.72Å; Y358-T362 WeakPolarHBondContact O-CB 3.06Å; Y358-T362 PolarHBondContact O-N 3.38Å; Y358-T362 PolarHBondContact O-OG1 3.22Å
359D89.3Confident86.4Confident3 Ų327 Ų272%0.01615%0.15CC..Hα-helixtrans-70.4-26.6178.4-59.4-28000111.7Y336 G351 S353 G354 Y355 F356 G363 H364Y336-D359 HydrophobicContact CE2-CB 4.05Å; G351-D359 VanDerWaalsContact C-OD1 3.26Å; G351-D359 WeakPolarHBondContact O-CB 3.18Å; G351-D359 VanDerWaalsContact O-CG 3.25Å; S353-D359 VanDerWaalsContact CB-OD1 3.27Å; S353-D359 WeakPolarHBondContact CB-OD1 3.27Å; S353-D359 PolarHBondContact N-OD1 3.17Å; S353-D359 VanDerWaalsContact OG-CG 3.24Å; S353-D359 PolarHBondContact OG-OD1 3.21Å; S353-D359 PolarHBondContact OG-OD2 2.89Å; G354-D359 WeakPolarHBondContact CA-OD2 3.5Å; G354-D359 PolarHBondContact N-OD2 3.28Å; Y355-D359 PolarHBondContact N-OD2 2.86Å; Y355-D359 PolarHBondContact O-N 3.27Å; F356-D359 PolarHBondContact O-N 3.1Å; D359-G363 CarbonylContact O-C 3.53Å; D359-G363 VanDerWaalsContact O-C 3.29Å; D359-G363 VanDerWaalsContact O-CA 3.23Å; D359-G363 WeakPolarHBondContact O-CA 3.34Å; D359-G363 PolarHBondContact O-N 3.24Å; D359-H364 HydrophobicContact CB-CB 4.49Å; D359-H364 PolarHBondContact O-N 3.02Å
360F92.5Very high87.1Confident17 Ų1728.5 Ų28.58%0.07515%0.154CC..Hα-helixtrans-69.4-44167.7173.5-93.4000112.6I211 M329 I333 Y336 F356 Y358 F446I211-F360 HydrophobicContact CD1-CD1 3.96Å; I211-F360 HydrophobicContact CD1-CE1 4.17Å; M329-F360 HydrophobicContact SD-CE1 4.37Å; M329-F360 HydrophobicContact SD-CZ 3.89Å; I333-F360 HydrophobicContact CG1-CE2 3.93Å; I333-F360 HydrophobicContact CG1-CZ 4.34Å; Y336-F360 HydrophobicContact CD2-CB 4.04Å; Y336-F360 HydrophobicContact CE2-CB 4.42Å; Y336-F360 HydrophobicContact CG-CB 4.49Å; Y336-F360 HydrophobicContact CG-CD2 4.23Å; F356-F360 WeakPolarHBondContact O-CB 3.27Å; F356-F360 PolarHBondContact O-N 3.42Å; Y358-F360 VanDerWaalsContact C-N 3.29Å; Y358-F360 PolarHBondContact O-N 3.06Å; F360-F446 HydrophobicContact CD1-CB 4.15Å; F360-F446 HydrophobicContact CE1-CB 3.69Å; F360-F446 HydrophobicContact CE1-CD2 4.29Å; F360-F446 HydrophobicContact CE1-CG 4.1Å; F360-F446 HydrophobicContact CZ-CB 4.21Å; F360-F446 HydrophobicContact CZ-CD2 4.47Å; F360-F446 PolarHBondContact O-N 3.29Å
361F92.6Very high87.6Confident1 Ų131.4 Ų31.40%0.00418%0.183CC..Hα-helixtrans-67.6-53.1179.6-178.4-95.7000112F201 T207 M210 I211 L214 V357 Y358 G445 F446 M447F201-F361 HydrophobicContact CB-CE1 4.26Å; F201-F361 HydrophobicContact CD1-CE1 4.36Å; F201-F361 HydrophobicContact CD2-CE1 4.24Å; F201-F361 HydrophobicContact CG-CE1 4.02Å; T207-F361 HydrophobicContact CG2-CB 4.19Å; T207-F361 HydrophobicContact CG2-CD1 3.48Å; T207-F361 VanDerWaalsContact CG2-CD1 3.48Å; T207-F361 HydrophobicContact CG2-CE1 4.06Å; T207-F361 HydrophobicContact CG2-CG 3.95Å; M210-F361 HydrophobicContact CB-CD2 4.48Å; M210-F361 HydrophobicContact CB-CE2 3.62Å; M210-F361 HydrophobicContact CB-CZ 3.8Å; M210-F361 HydrophobicContact CG-CZ 4.46Å; I211-F361 HydrophobicContact CG1-CD2 3.82Å; L214-F361 HydrophobicContact CD1-CE2 4.21Å; L214-F361 HydrophobicContact CD1-CZ 4.46Å; V357-F361 WeakPolarHBondContact O-CB 3.07Å; V357-F361 PolarHBondContact O-N 2.89Å; V357-F361 VanDerWaalsContact O-N 3.1Å; Y358-F361 PolarHBondContact O-N 2.72Å; F361-G445 CarbonylContact O-C 3.54Å; F361-F446 HydrophobicContact CD2-CD1 4.03Å; F361-F446 HydrophobicContact CE2-CD1 4.23Å; F361-F446 PolarHBondContact O-N 3.42Å; F361-M447 HydrophobicContact CD1-CB 4.11Å; F361-M447 HydrophobicContact CD2-CB 4.46Å; F361-M447 HydrophobicContact CE1-CB 3.75Å; F361-M447 HydrophobicContact CE1-CG 3.87Å; F361-M447 HydrophobicContact CE1-SD 3.79Å; F361-M447 HydrophobicContact CE2-CB 4.14Å; F361-M447 HydrophobicContact CG-CB 4.46Å; F361-M447 HydrophobicContact CZ-CB 3.77Å; F361-M447 HydrophobicContact CZ-CG 3.79Å; F361-M447 HydrophobicContact CZ-SD 4.21Å; F361-M447 VanDerWaalsContact O-CB 3.31Å; F361-M447 WeakPolarHBondContact O-CB 3.36Å; F361-M447 PolarHBondContact O-N 2.77Å
362T89.4Confident88Confident1 Ų135.7 Ų35.71%0.00621%0.213CC..Hα-helixtrans-79-19-176.1-52.10000113Y358 G443Y358-T362 WeakPolarHBondContact O-CB 3.06Å; Y358-T362 PolarHBondContact O-N 3.38Å; Y358-T362 PolarHBondContact O-OG1 3.22Å; T362-G443 CarbonylContact O-C 3.59Å; T362-G443 VanDerWaalsContact O-C 3.29Å; T362-G443 VanDerWaalsContact O-CA 3.27Å; T362-G443 WeakPolarHBondContact O-CA 3.21Å; T362-G443 PolarHBondContact O-N 2.84Å; T362-G443 VanDerWaalsContact O-O 3.06Å
363G90.5Very high88.4Confident2 Ų236.1 Ų36.12%0.02121%0.214CC..  trans85.8125.9-177.700000112.8A348 G351 D359 G445A348-G363 WeakPolarHBondContact CB-O 3.36Å; G351-G363 WeakPolarHBondContact CA-O 3.43Å; D359-G363 CarbonylContact O-C 3.53Å; D359-G363 VanDerWaalsContact O-C 3.29Å; D359-G363 VanDerWaalsContact O-CA 3.23Å; D359-G363 WeakPolarHBondContact O-CA 3.34Å; D359-G363 PolarHBondContact O-N 3.24Å; G363-G445 VanDerWaalsContact CA-CA 3.47Å
364H87.6Confident89Confident27 Ų2735.5 Ų35.513%0.12521%0.21CC..SBendtrans-88-35.8-176.1-166.560000112.7Y336 S339 L347 A348 G351 D359Y336-H364 HydrophobicContact CE2-CB 4.49Å; S339-H364 WeakPolarHBondContact OG-CB 3.41Å; S339-H364 PolarHBondContact OG-CD2 2.67Å; L347-H364 CarbonylContact C-O 3.58Å; L347-H364 VanDerWaalsContact CA-O 3.3Å; L347-H364 WeakPolarHBondContact CA-O 3.24Å; L347-H364 WeakPolarHBondContact CD2-O 3.33Å; A348-H364 PolarHBondContact N-O 3.31Å; G351-H364 PolarHBondContact O-ND1 2.91Å; D359-H364 HydrophobicContact CB-CB 4.49Å; D359-H364 PolarHBondContact O-N 3.02Å
365E89.9Confident89.6Confident14 Ų1433.2 Ų33.27%0.06518%0.184CC..BIsolated β-bridgetrans-90134.1173.6-168.7174.317100110.2R338 A342 P368 F444R338-E365 WeakPolarHBondContact CD-OE2 3.45Å; R338-E365 IonicContact CZ-OE1 3.72Å; R338-E365 IonicContact CZ-OE2 3.95Å; R338-E365 IonicContact NE-OE1 2.63Å; R338-E365 PolarHBondContact NE-OE1 3.29Å; R338-E365 IonicContact NE-OE2 3.96Å; R338-E365 PolarHBondContact NE-OE2 2.88Å; R338-E365 IonicContact NH2-OE1 3.99Å; R338-E365 PolarHBondContact NH2-OE1 2.95Å; R338-E365 IonicContact NH2-OE2 3.24Å; A342-E365 HydrophobicContact CB-CG 4.35Å; E365-P368 HydrophobicContact CG-CB 4.13Å; E365-P368 WeakPolarHBondContact OE1-CA 3.42Å; E365-F444 PolarHBondContact O-N 3.48Å; E365-F444 VanDerWaalsContact O-N 3.11Å
366L88.1Confident90Very high17 Ų1728.9 Ų28.99%0.08917%0.167CC..SBendtrans-71.7-52.3-173.2-175.470.2000112.3L277 D346 A348 K376 D442L277-L366 HydrophobicContact CD2-CD2 4.47Å; D346-L366 VanDerWaalsContact O-CB 3.31Å; D346-L366 WeakPolarHBondContact O-CB 3.28Å; D346-L366 PolarHBondContact O-N 3.17Å; A348-L366 HydrophobicContact CB-CB 4.35Å; A348-L366 HydrophobicContact CB-CD1 4.12Å; L366-K376 WeakPolarHBondContact O-CD 3.4Å; L366-K376 PolarHBondContact O-NZ 2.72Å; L366-D442 WeakPolarHBondContact CD1-O 3.06Å
367N90.6Very high90.2Very high17 Ų1722.8 Ų22.89%0.09114%0.141CC..SBendtrans-13878.3-176.6-67.8-49.7000110.2L283 R369 K376 I439L283-N367 HydrophobicContact CD1-CB 3.87Å; N367-R369 PolarHBondContact O-N 3.4Å; N367-K376 WeakPolarHBondContact OD1-CD 3.42Å; N367-K376 PolarHBondContact OD1-NZ 2.75Å; N367-K376 VanDerWaalsContact OD1-NZ 3.1Å; N367-I439 PolarHBondContact OD1-O 2.93Å; N367-I439 VanDerWaalsContact OD1-O 3.12Å
368P91.4Very high90.5Very high0 Ų020.6 Ų20.60%013%0.128CC..  trans-67.1123-172.723.3-32000113L335 E365 L375 F444L335-P368 HydrophobicContact CD2-CB 3.77Å; L335-P368 HydrophobicContact CD2-CG 3.6Å; E365-P368 HydrophobicContact CG-CB 4.13Å; E365-P368 WeakPolarHBondContact OE1-CA 3.42Å; P368-L375 HydrophobicContact CB-CD1 4.26Å; P368-L375 HydrophobicContact CG-CB 4.32Å; P368-L375 WeakPolarHBondContact O-CB 3.47Å; P368-L375 PolarHBondContact O-N 3.12Å; P368-F444 HydrophobicContact CG-CB 3.73Å; P368-F444 HydrophobicContact CG-CD1 3.69Å; P368-F444 HydrophobicContact CG-CG 4.16Å
369R90.7Very high90.7Very high44 Ų4420.6 Ų20.617%0.16613%0.127CC..EExtended strand (participates in β ladder)trans-120.9138.9-172.4-78.7175176.4-123.2-8.7115.3Q284 R338 N367 F373 D374Q284-R369 PolarHBondContact O-NH1 2.95Å; Q284-R369 PolarHBondContact O-NH2 2.88Å; R338-R369 VanDerWaalsContact CZ-O 3.26Å; R338-R369 PolarHBondContact NH1-O 3.49Å; R338-R369 PolarHBondContact NH2-O 3.48Å; N367-R369 PolarHBondContact O-N 3.4Å; R369-F373 CarbonylContact C-O 3.56Å; R369-F373 WeakPolarHBondContact CA-O 3.15Å; R369-D374 HydrophobicContact CG-CB 4.05Å; R369-D374 IonicContact CZ-OD2 3.81Å; R369-D374 IonicContact NE-OD2 2.76Å; R369-D374 PolarHBondContact NE-OD2 3.05Å; R369-D374 IonicContact NH2-OD2 2.71Å; R369-D374 PolarHBondContact NH2-OD2 3.11Å
370I89.6Confident90.8Very high93 Ų9322 Ų2248%0.47713%0.134SC..EExtended strand (participates in β ladder)trans-11291.6169.1-58.5174000106.8S372 F373 L375I370-S372 PolarHBondContact O-N 3.3Å; I370-F373 HydrophobicContact CB-CB 4.43Å; I370-F373 PolarHBondContact N-O 2.68Å; I370-F373 WeakPolarHBondContact O-CB 3.32Å; I370-F373 PolarHBondContact O-N 3.23Å; I370-L375 HydrophobicContact CD1-CD1 4.04Å; I370-L375 HydrophobicContact CD1-CD2 4.46Å; I370-L375 HydrophobicContact CD1-CG 4.46Å; I370-L375 HydrophobicContact CG1-CD1 4.16Å
371G86.6Confident90.5Very high74 Ų7421.3 Ų21.376%0.76313%0.131SC*.THydrogen-bonded Turntrans62-118.5-168.800000111.2
372S84.8Confident90.5Very high89 Ų8921.3 Ų21.362%0.62213%0.131SC*.THydrogen-bonded Turntrans-83.5-10.7174.653.90000114.3I370I370-S372 PolarHBondContact O-N 3.3Å
373F90.5Very high90.7Very high20 Ų2021.5 Ų21.59%0.08813%0.133CC..EExtended strand (participates in β ladder)trans-81.2118.6-178-167.9-81.2000110.9A261 Y264 L265 R369 I370 L375 F378A261-F373 HydrophobicContact CB-CE2 3.89Å; A261-F373 HydrophobicContact CB-CZ 4Å; Y264-F373 AromaticContact CD1-CD2 3.44Å; Y264-F373 HydrophobicContact CD1-CD2 3.44Å; Y264-F373 VanDerWaalsContact CD1-CD2 3.44Å; Y264-F373 AromaticContact CD1-CE2 3.52Å; Y264-F373 HydrophobicContact CD1-CE2 3.52Å; Y264-F373 HydrophobicContact CD1-CG 4.36Å; Y264-F373 HydrophobicContact CD1-CZ 4.48Å; Y264-F373 AromaticContact CE1-CD2 3.66Å; Y264-F373 HydrophobicContact CE1-CD2 3.66Å; Y264-F373 HydrophobicContact CE1-CE2 4.1Å; Y264-F373 HydrophobicContact CE1-CG 4.15Å; Y264-F373 HydrophobicContact CG-CD2 4.48Å; Y264-F373 HydrophobicContact CG-CE2 4.16Å; L265-F373 HydrophobicContact CD1-CD2 4.44Å; L265-F373 HydrophobicContact CD2-CB 4.5Å; L265-F373 HydrophobicContact CD2-CD2 3.89Å; L265-F373 HydrophobicContact CG-CD2 3.98Å; L265-F373 HydrophobicContact CG-CE2 4.42Å; R369-F373 CarbonylContact C-O 3.56Å; R369-F373 WeakPolarHBondContact CA-O 3.15Å; I370-F373 HydrophobicContact CB-CB 4.43Å; I370-F373 PolarHBondContact N-O 2.68Å; I370-F373 WeakPolarHBondContact O-CB 3.32Å; I370-F373 PolarHBondContact O-N 3.23Å; F373-L375 HydrophobicContact CD1-CD2 4.27Å; F373-L375 HydrophobicContact CD1-CG 4.18Å; F373-L375 HydrophobicContact CE1-CD2 3.9Å; F373-L375 HydrophobicContact CE1-CG 4.22Å; F373-F378 HydrophobicContact CE1-CB 3.8Å; F373-F378 AromaticContact CE1-CD1 3.94Å; F373-F378 HydrophobicContact CE1-CD1 3.94Å; F373-F378 HydrophobicContact CE1-CD2 4.45Å; F373-F378 AromaticContact CE1-CG 3.79Å; F373-F378 HydrophobicContact CE1-CG 3.79Å; F373-F378 HydrophobicContact CE2-CD2 4.03Å; F373-F378 HydrophobicContact CE2-CE2 4.42Å; F373-F378 HydrophobicContact CE2-CG 4.18Å; F373-F378 HydrophobicContact CZ-CB 3.79Å; F373-F378 AromaticContact CZ-CD1 3.56Å; F373-F378 HydrophobicContact CZ-CD1 3.56Å; F373-F378 AromaticContact CZ-CD2 3.59Å; F373-F378 HydrophobicContact CZ-CD2 3.59Å; F373-F378 HydrophobicContact CZ-CE1 4.01Å; F373-F378 HydrophobicContact CZ-CE2 4.06Å; F373-F378 AromaticContact CZ-CG 3.32Å; F373-F378 HydrophobicContact CZ-CG 3.32Å; F373-F378 HydrophobicContact CZ-CZ 4.25Å
374D92.8Very high90.8Very high0 Ų021.5 Ų21.50%013%0.132CC..EExtended strand (participates in β ladder)trans-99108.4176.9-167.9-56.9000109.7Y285 R369 K376 Y377 F378Y285-D374 HydrophobicContact CE1-CB 4.31Å; Y285-D374 WeakPolarHBondContact CE1-OD2 3.47Å; R369-D374 HydrophobicContact CG-CB 4.05Å; R369-D374 IonicContact CZ-OD2 3.81Å; R369-D374 IonicContact NE-OD2 2.76Å; R369-D374 PolarHBondContact NE-OD2 3.05Å; R369-D374 IonicContact NH2-OD2 2.71Å; R369-D374 PolarHBondContact NH2-OD2 3.11Å; D374-K376 VanDerWaalsContact C-N 3.26Å; D374-K376 PolarHBondContact O-N 3.22Å; D374-K376 PolarHBondContact OD1-N 2.92Å; D374-Y377 PolarHBondContact OD1-N 2.94Å; D374-Y377 VanDerWaalsContact OD1-N 3.17Å; D374-F378 WeakPolarHBondContact O-CB 3.27Å; D374-F378 PolarHBondContact O-N 3.28Å
375L93Very high91.1Very high11 Ų1121.2 Ų21.26%0.05813%0.131CC..Hα-helixtrans-62.4-34.7-171.2-78.6154.9000112.6L331 Y334 L335 P368 I370 F373 C379 F444L331-L375 HydrophobicContact CD1-CD2 4.48Å; Y334-L375 HydrophobicContact CE1-CD1 4.12Å; L335-L375 HydrophobicContact CD2-CD1 4.01Å; P368-L375 HydrophobicContact CB-CD1 4.26Å; P368-L375 HydrophobicContact CG-CB 4.32Å; P368-L375 WeakPolarHBondContact O-CB 3.47Å; P368-L375 PolarHBondContact O-N 3.12Å; I370-L375 HydrophobicContact CD1-CD1 4.04Å; I370-L375 HydrophobicContact CD1-CD2 4.46Å; I370-L375 HydrophobicContact CD1-CG 4.46Å; I370-L375 HydrophobicContact CG1-CD1 4.16Å; F373-L375 HydrophobicContact CD1-CD2 4.27Å; F373-L375 HydrophobicContact CD1-CG 4.18Å; F373-L375 HydrophobicContact CE1-CD2 3.9Å; F373-L375 HydrophobicContact CE1-CG 4.22Å; L375-C379 PolarHBondContact O-N 2.76Å; L375-C379 VanDerWaalsContact O-N 3.1Å; L375-C379 PolarHBondContact O-SG 3.49Å; L375-F444 HydrophobicContact CB-CD1 4.24Å; L375-F444 HydrophobicContact CB-CE1 4Å
376K93.2Very high91.3Very high2 Ų220.6 Ų20.61%0.00913%0.129CC..Hα-helixtrans-72.7-57.9-176.9-179.5-168.5-163.6177.40110.8L366 N367 D374 F378 C379 E380 D438 I439 D442 F444L366-K376 WeakPolarHBondContact O-CD 3.4Å; L366-K376 PolarHBondContact O-NZ 2.72Å; N367-K376 WeakPolarHBondContact OD1-CD 3.42Å; N367-K376 PolarHBondContact OD1-NZ 2.75Å; N367-K376 VanDerWaalsContact OD1-NZ 3.1Å; D374-K376 VanDerWaalsContact C-N 3.26Å; D374-K376 PolarHBondContact O-N 3.22Å; D374-K376 PolarHBondContact OD1-N 2.92Å; K376-F378 PolarHBondContact O-N 3.2Å; K376-C379 PolarHBondContact O-N 2.78Å; K376-C379 VanDerWaalsContact O-N 3.09Å; K376-E380 PolarHBondContact O-N 2.75Å; K376-D438 WeakPolarHBondContact CE-O 3.34Å; K376-D438 PolarHBondContact NZ-O 2.95Å; K376-I439 HydrophobicContact CD-CD1 4.02Å; K376-I439 HydrophobicContact CG-CD1 4.11Å; K376-I439 PolarHBondContact NZ-O 3.36Å; K376-D442 PolarHBondContact NZ-O 2.69Å; K376-F444 HydrophobicContact CB-CB 3.91Å; K376-F444 HydrophobicContact CB-CD1 4.03Å; K376-F444 HydrophobicContact CB-CD2 3.77Å; K376-F444 HydrophobicContact CB-CE2 4.3Å; K376-F444 HydrophobicContact CB-CG 3.64Å; K376-F444 HydrophobicContact CD-CB 4.18Å; K376-F444 HydrophobicContact CG-CB 3.97Å; K376-F444 HydrophobicContact CG-CD2 3.61Å; K376-F444 HydrophobicContact CG-CE2 4.3Å; K376-F444 HydrophobicContact CG-CG 3.87Å
377Y92.8Very high91.7Very high0 Ų020 Ų200%013%0.127CC..Hα-helixtrans-61.5-29.3176.8176-108.3000112.8Y264 Y285 I287 D374 L381 E430 L434 I439Y264-Y377 AromaticContact CE2-CD1 3.87Å; Y264-Y377 HydrophobicContact CE2-CD1 3.87Å; Y264-Y377 AromaticContact CE2-CE1 3.98Å; Y264-Y377 HydrophobicContact CE2-CE1 3.98Å; Y285-Y377 AromaticContact CD1-CD1 3.62Å; Y285-Y377 HydrophobicContact CD1-CD1 3.62Å; Y285-Y377 HydrophobicContact CD1-CD2 4.23Å; Y285-Y377 AromaticContact CD1-CE1 3.91Å; Y285-Y377 HydrophobicContact CD1-CE1 3.91Å; Y285-Y377 AromaticContact CD1-CG 3.76Å; Y285-Y377 HydrophobicContact CD1-CG 3.76Å; Y285-Y377 HydrophobicContact CE1-CD1 4.27Å; Y285-Y377 HydrophobicContact CE1-CD2 4.45Å; Y285-Y377 AromaticContact CE1-CG 3.99Å; Y285-Y377 HydrophobicContact CE1-CG 3.99Å; I287-Y377 WeakPolarHBondContact CD1-OH 3.36Å; D374-Y377 PolarHBondContact OD1-N 2.94Å; D374-Y377 VanDerWaalsContact OD1-N 3.17Å; Y377-L381 HydrophobicContact CD2-CD1 4.25Å; Y377-L381 HydrophobicContact CE2-CD1 3.71Å; Y377-E430 HydrophobicContact CE2-CG 4.41Å; Y377-E430 WeakPolarHBondContact OH-CG 3.31Å; Y377-E430 PolarHBondContact OH-OE1 3.29Å; Y377-L434 HydrophobicContact CD2-CD2 3.69Å; Y377-L434 HydrophobicContact CE2-CD2 3.41Å; Y377-L434 VanDerWaalsContact CE2-CD2 3.41Å; Y377-L434 HydrophobicContact CE2-CG 4.21Å; Y377-L434 HydrophobicContact CG-CD2 4.43Å; Y377-I439 HydrophobicContact CD2-CD1 4.18Å
378F94.6Very high92Very high0 Ų019.2 Ų19.20%012%0.123CC..Hα-helixtrans-63.8-55169.5173.3-104.6000112F257 Q260 A261 Y264 F373 D374 K376 L381 R382 P383F257-F378 HydrophobicContact CD2-CE1 4.2Å; F257-F378 HydrophobicContact CE1-CE1 4.14Å; F257-F378 HydrophobicContact CE2-CD1 4.4Å; F257-F378 AromaticContact CE2-CE1 3.71Å; F257-F378 HydrophobicContact CE2-CE1 3.71Å; F257-F378 HydrophobicContact CZ-CD1 4.23Å; F257-F378 AromaticContact CZ-CE1 3.67Å; F257-F378 HydrophobicContact CZ-CE1 3.67Å; Q260-F378 VanDerWaalsContact C-CE2 3.5Å; Q260-F378 HydrophobicContact CB-CE2 4.13Å; Q260-F378 HydrophobicContact CB-CZ 3.93Å; Q260-F378 WeakPolarHBondContact O-CE2 3.29Å; A261-F378 VanDerWaalsContact CA-CE2 3.48Å; A261-F378 HydrophobicContact CB-CE1 4.43Å; A261-F378 HydrophobicContact CB-CE2 4.13Å; A261-F378 HydrophobicContact CB-CZ 3.81Å; Y264-F378 AromaticContact CD2-CD2 3.98Å; Y264-F378 HydrophobicContact CD2-CD2 3.98Å; Y264-F378 AromaticContact CG-CD2 3.85Å; Y264-F378 HydrophobicContact CG-CD2 3.85Å; Y264-F378 HydrophobicContact CG-CE2 4.48Å; F373-F378 HydrophobicContact CE1-CB 3.8Å; F373-F378 AromaticContact CE1-CD1 3.94Å; F373-F378 HydrophobicContact CE1-CD1 3.94Å; F373-F378 HydrophobicContact CE1-CD2 4.45Å; F373-F378 AromaticContact CE1-CG 3.79Å; F373-F378 HydrophobicContact CE1-CG 3.79Å; F373-F378 HydrophobicContact CE2-CD2 4.03Å; F373-F378 HydrophobicContact CE2-CE2 4.42Å; F373-F378 HydrophobicContact CE2-CG 4.18Å; F373-F378 HydrophobicContact CZ-CB 3.79Å; F373-F378 AromaticContact CZ-CD1 3.56Å; F373-F378 HydrophobicContact CZ-CD1 3.56Å; F373-F378 AromaticContact CZ-CD2 3.59Å; F373-F378 HydrophobicContact CZ-CD2 3.59Å; F373-F378 HydrophobicContact CZ-CE1 4.01Å; F373-F378 HydrophobicContact CZ-CE2 4.06Å; F373-F378 AromaticContact CZ-CG 3.32Å; F373-F378 HydrophobicContact CZ-CG 3.32Å; F373-F378 HydrophobicContact CZ-CZ 4.25Å; D374-F378 WeakPolarHBondContact O-CB 3.27Å; D374-F378 PolarHBondContact O-N 3.28Å; K376-F378 PolarHBondContact O-N 3.2Å; F378-L381 PolarHBondContact O-N 3.12Å; F378-R382 HydrophobicContact CD2-CB 3.76Å; F378-R382 HydrophobicContact CD2-CG 3.7Å; F378-R382 HydrophobicContact CE2-CB 3.49Å; F378-R382 VanDerWaalsContact CE2-CB 3.49Å; F378-R382 HydrophobicContact CE2-CG 3.82Å; F378-R382 HydrophobicContact CZ-CB 4.15Å; F378-R382 VanDerWaalsContact O-CB 3.31Å; F378-R382 WeakPolarHBondContact O-CB 3.47Å; F378-R382 PolarHBondContact O-N 3.1Å; F378-P383 HydrophobicContact CD1-CG 4.47Å; F378-P383 HydrophobicContact CE1-CG 3.9Å; F378-P383 HydrophobicContact CZ-CG 4.23Å; F378-P383 WeakPolarHBondContact O-CD 3.47Å
379C94.4Very high92.2Very high0 Ų020.4 Ų20.40%013%0.13CC..Hα-helixtrans-62.9-47.2-174.8-67.40000112.2L375 K376 L381 F444 D452 L453L375-C379 PolarHBondContact O-N 2.76Å; L375-C379 VanDerWaalsContact O-N 3.1Å; L375-C379 PolarHBondContact O-SG 3.49Å; K376-C379 PolarHBondContact O-N 2.78Å; K376-C379 VanDerWaalsContact O-N 3.09Å; C379-L381 PolarHBondContact O-N 3.38Å; C379-L381 VanDerWaalsContact O-N 3.11Å; C379-F444 HydrophobicContact CB-CE2 4.27Å; C379-F444 HydrophobicContact CB-CZ 3.78Å; C379-D452 HydrophobicContact CB-CB 3.85Å; C379-D452 WeakPolarHBondContact CB-OD2 3.44Å; C379-L453 HydrophobicContact CB-CD2 4.1Å
380E90.5Very high92.4Very high32 Ų3219.5 Ų19.515%0.1513%0.129CC..Hα-helixtrans-50.8-36.4-179.4-175.1-179.4-166.600113K376 V433 I439 D452K376-E380 PolarHBondContact O-N 2.75Å; E380-V433 HydrophobicContact CG-CG1 4.36Å; E380-V433 VanDerWaalsContact OE1-CG1 3.28Å; E380-V433 WeakPolarHBondContact OE1-CG1 3.27Å; E380-V433 VanDerWaalsContact OE2-CG1 3.28Å; E380-V433 WeakPolarHBondContact OE2-CG1 3.48Å; E380-I439 WeakPolarHBondContact OE2-CD1 3.46Å; E380-I439 VanDerWaalsContact OE2-CG1 3.29Å; E380-I439 WeakPolarHBondContact OE2-CG1 3.39Å; E380-D452 PolarHBondContact N-OD2 3.25Å
381L87.3Confident92.7Very high4 Ų415.7 Ų15.72%0.02111%0.109CC..Hα-helixtrans-117.5-23.7-171.5-62.9-177.4000116.4Y377 F378 C379 L385 E430 V433Y377-L381 HydrophobicContact CD2-CD1 4.25Å; Y377-L381 HydrophobicContact CE2-CD1 3.71Å; F378-L381 PolarHBondContact O-N 3.12Å; C379-L381 PolarHBondContact O-N 3.38Å; C379-L381 VanDerWaalsContact O-N 3.11Å; L381-L385 HydrophobicContact CD2-CD1 3.7Å; L381-E430 HydrophobicContact CD1-CG 3.86Å; L381-V433 HydrophobicContact CD1-CB 4.2Å; L381-V433 HydrophobicContact CD1-CG1 4.11Å; L381-V433 HydrophobicContact CD1-CG2 4.07Å; L381-V433 HydrophobicContact CD2-CG1 4.22Å; L381-V433 HydrophobicContact CD2-CG2 4.01Å; L381-V433 HydrophobicContact CG-CG1 4.3Å
382R91.5Very high93.1Very high0 Ų012.3 Ų12.30%07%0.074CC..THydrogen-bonded Turntrans-98.1-81.5-170.8-58.1-67.9-173-75.6-9112.6Q260 Y264 N288 G289 F378 G384 I386 E430Q260-R382 HydrophobicContact CB-CB 4.29Å; Y264-R382 HydrophobicContact CD2-CG 4.32Å; N288-R382 PolarHBondContact OD1-NH2 2.65Å; G289-R382 VanDerWaalsContact N-NH2 3.17Å; F378-R382 HydrophobicContact CD2-CB 3.76Å; F378-R382 HydrophobicContact CD2-CG 3.7Å; F378-R382 HydrophobicContact CE2-CB 3.49Å; F378-R382 VanDerWaalsContact CE2-CB 3.49Å; F378-R382 HydrophobicContact CE2-CG 3.82Å; F378-R382 HydrophobicContact CZ-CB 4.15Å; F378-R382 VanDerWaalsContact O-CB 3.31Å; F378-R382 WeakPolarHBondContact O-CB 3.47Å; F378-R382 PolarHBondContact O-N 3.1Å; R382-G384 VanDerWaalsContact C-N 3.28Å; R382-G384 PolarHBondContact O-N 3.18Å; R382-I386 VanDerWaalsContact O-CB 3.24Å; R382-I386 WeakPolarHBondContact O-CB 3.3Å; R382-I386 WeakPolarHBondContact O-CG1 3.5Å; R382-I386 PolarHBondContact O-N 3.41Å; R382-E430 IonicContact CZ-OE1 3.78Å; R382-E430 IonicContact NH1-OE1 3.36Å; R382-E430 PolarHBondContact NH1-OE1 2.91Å; R382-E430 IonicContact NH2-OE1 3.69Å; R382-E430 PolarHBondContact NH2-OE1 3.4Å; R382-E430 IonicContact NH2-OE2 3.72Å
383P93.9Very high93.6Very high6 Ų610.5 Ų10.54%0.0396%0.057CC..THydrogen-bonded Turntrans-64.4-31.1-174.828.9-37.1000113W256 F257 F378 G387 L453W256-P383 PolarHBondContact NE1-O 3.06Å; F257-P383 HydrophobicContact CD2-CB 4.12Å; F257-P383 HydrophobicContact CD2-CG 4.13Å; F257-P383 HydrophobicContact CE2-CG 4.21Å; F378-P383 HydrophobicContact CD1-CG 4.47Å; F378-P383 HydrophobicContact CE1-CG 3.9Å; F378-P383 HydrophobicContact CZ-CG 4.23Å; F378-P383 WeakPolarHBondContact O-CD 3.47Å; P383-G387 WeakPolarHBondContact O-CA 3.27Å; P383-G387 PolarHBondContact O-N 2.85Å; P383-L453 HydrophobicContact CB-CD2 3.98Å; P383-L453 HydrophobicContact CG-CD2 3.37Å
384G92.7Very high93.8Very high1 Ų19.6 Ų9.61%0.015%0.053CC..THydrogen-bonded Turntrans-72.7-75.8178.500000113.3R382 I386 G387 W388 D452R382-G384 VanDerWaalsContact C-N 3.28Å; R382-G384 PolarHBondContact O-N 3.18Å; G384-I386 PolarHBondContact O-N 2.99Å; G384-G387 WeakPolarHBondContact O-CA 3.31Å; G384-G387 PolarHBondContact O-N 3.43Å; G384-G387 VanDerWaalsContact O-N 3.09Å; G384-W388 PolarHBondContact O-N 3.2Å; G384-D452 WeakPolarHBondContact CA-O 3.41Å
385L93.9Very high93.9Very high21 Ų219.6 Ų9.611%0.115%0.053CC..Hα-helixtrans-62.5-39.4-174.5-68.7179.4000114.1L381 G387 W388 V423 A426 V456L381-L385 HydrophobicContact CD2-CD1 3.7Å; L385-G387 VanDerWaalsContact C-N 3.33Å; L385-W388 HydrophobicContact CD2-CE3 3.89Å; L385-W388 HydrophobicContact CD2-CZ3 4.09Å; L385-V423 HydrophobicContact CB-CG1 4.17Å; L385-V423 HydrophobicContact CB-CG2 4.44Å; L385-V423 HydrophobicContact CD2-CG2 4.36Å; L385-A426 HydrophobicContact CD1-CB 4.34Å; L385-V456 HydrophobicContact CD2-CG1 3.86Å
386I95.7Very high93.9Very high2 Ų210.4 Ų10.41%0.016%0.057CC..Hα-helixtrans-69.3-38.7175.2-52.3177000109.1W256 A292 F293 T296 R382 G384 W388 V389 V390 L427W256-I386 HydrophobicContact CH2-CB 4.39Å; W256-I386 HydrophobicContact CH2-CG2 3.83Å; W256-I386 HydrophobicContact CZ2-CB 4.21Å; W256-I386 HydrophobicContact CZ2-CG2 4.15Å; A292-I386 HydrophobicContact CB-CD1 4.49Å; F293-I386 HydrophobicContact CB-CD1 4.34Å; F293-I386 HydrophobicContact CD2-CG1 4.49Å; F293-I386 HydrophobicContact CD2-CG2 4.16Å; T296-I386 HydrophobicContact CG2-CG2 3.96Å; R382-I386 VanDerWaalsContact O-CB 3.24Å; R382-I386 WeakPolarHBondContact O-CB 3.3Å; R382-I386 WeakPolarHBondContact O-CG1 3.5Å; R382-I386 PolarHBondContact O-N 3.41Å; G384-I386 PolarHBondContact O-N 2.99Å; I386-W388 PolarHBondContact O-N 3.39Å; I386-V389 PolarHBondContact O-N 3.15Å; I386-V390 WeakPolarHBondContact O-CG2 3.23Å; I386-V390 PolarHBondContact O-N 3.06Å; I386-L427 HydrophobicContact CG1-CD1 4.15Å
387G94.9Very high93.9Very high5 Ų512.8 Ų12.85%0.0527%0.07CC..Hα-helixtrans-61.6-41.1178.700000112.8P383 G384 L385 V389 V390 I391P383-G387 WeakPolarHBondContact O-CA 3.27Å; P383-G387 PolarHBondContact O-N 2.85Å; G384-G387 WeakPolarHBondContact O-CA 3.31Å; G384-G387 PolarHBondContact O-N 3.43Å; G384-G387 VanDerWaalsContact O-N 3.09Å; L385-G387 VanDerWaalsContact C-N 3.33Å; G387-V389 VanDerWaalsContact C-N 3.31Å; G387-V389 PolarHBondContact O-N 3.08Å; G387-V390 PolarHBondContact O-N 3.26Å; G387-V390 VanDerWaalsContact O-N 3.12Å; G387-I391 WeakPolarHBondContact O-CB 3.41Å; G387-I391 VanDerWaalsContact O-CG1 3.31Å; G387-I391 WeakPolarHBondContact O-CG1 3.29Å; G387-I391 PolarHBondContact O-N 3.39Å
388W96.4Very high93.9Very high0 Ų012.8 Ų12.80%07%0.07CC..Hα-helixtrans-55-42.6173.1176.527.7000112.5G384 L385 I386 I391 N392 Q419 Y422 V423 V456 Y460 W550G384-W388 PolarHBondContact O-N 3.2Å; L385-W388 HydrophobicContact CD2-CE3 3.89Å; L385-W388 HydrophobicContact CD2-CZ3 4.09Å; I386-W388 PolarHBondContact O-N 3.39Å; W388-I391 PolarHBondContact O-N 3.41Å; W388-N392 PolarHBondContact NE1-ND2 3.12Å; W388-N392 WeakPolarHBondContact O-CB 3.31Å; W388-N392 VanDerWaalsContact O-CG 3.25Å; W388-N392 PolarHBondContact O-N 3.09Å; W388-Q419 HydrophobicContact CH2-CB 4.15Å; W388-Q419 HydrophobicContact CH2-CG 4.26Å; W388-Q419 HydrophobicContact CZ2-CB 3.62Å; W388-Q419 VanDerWaalsContact CZ2-CD 3.41Å; W388-Q419 HydrophobicContact CZ2-CG 3.55Å; W388-Y422 HydrophobicContact CH2-CD1 4.19Å; W388-Y422 HydrophobicContact CZ3-CD1 4.04Å; W388-V423 HydrophobicContact CD2-CG2 4.27Å; W388-V423 HydrophobicContact CE3-CG2 3.34Å; W388-V423 HydrophobicContact CH2-CG2 4.43Å; W388-V423 HydrophobicContact CZ3-CG2 3.44Å; W388-V423 VanDerWaalsContact CZ3-CG2 3.44Å; W388-V456 HydrophobicContact CE3-CG1 4.43Å; W388-Y460 VanDerWaalsContact CE2-CB 3.45Å; W388-Y460 HydrophobicContact CE3-CD2 4.39Å; W388-Y460 AromaticContact CH2-CD2 3.84Å; W388-Y460 HydrophobicContact CH2-CD2 3.84Å; W388-Y460 HydrophobicContact CZ2-CD2 4.01Å; W388-Y460 HydrophobicContact CZ2-CG 4.36Å; W388-Y460 HydrophobicContact CZ3-CD2 4.03Å; W388-Y460 PolarHBondContact NE1-O 2.97Å; W388-W550 HydrophobicContact CH2-CH2 4.01Å; W388-W550 AromaticContact CH2-CZ3 3.68Å; W388-W550 HydrophobicContact CH2-CZ3 3.68Å; W388-W550 HydrophobicContact CZ2-CE3 4.46Å; W388-W550 HydrophobicContact CZ2-CZ3 4.03Å
389V96.5Very high93.8Very high25 Ų2512.8 Ų12.815%0.1527%0.07CC..Hα-helixtrans-66.4-40.1176178.50000111.8F293 I386 G387 N392 L393 L420 V423F293-V389 HydrophobicContact CE2-CB 4.49Å; F293-V389 HydrophobicContact CE2-CG1 4.17Å; F293-V389 HydrophobicContact CE2-CG2 4.44Å; I386-V389 PolarHBondContact O-N 3.15Å; G387-V389 VanDerWaalsContact C-N 3.31Å; G387-V389 PolarHBondContact O-N 3.08Å; V389-N392 PolarHBondContact O-N 3.38Å; V389-L393 WeakPolarHBondContact O-CB 3.41Å; V389-L393 PolarHBondContact O-N 3Å; V389-L420 HydrophobicContact CG1-CD1 3.76Å; V389-L420 HydrophobicContact CG2-CD1 4.4Å; V389-V423 HydrophobicContact CG2-CB 3.74Å; V389-V423 HydrophobicContact CG2-CG1 3.68Å; V389-V423 HydrophobicContact CG2-CG2 3.82Å
390V95.1Very high93.6Very high25 Ų2514.9 Ų14.915%0.1528%0.08CC..Hα-helixtrans-66.2-40.5176.8-177.50000111.4W256 I300 I386 G387 L393 A394W256-V390 HydrophobicContact CH2-CG2 3.72Å; W256-V390 HydrophobicContact CZ2-CG2 4.49Å; W256-V390 HydrophobicContact CZ3-CG2 4.17Å; I300-V390 HydrophobicContact CD1-CB 4.25Å; I300-V390 HydrophobicContact CD1-CG1 3.88Å; I300-V390 HydrophobicContact CD1-CG2 3.38Å; I386-V390 WeakPolarHBondContact O-CG2 3.23Å; I386-V390 PolarHBondContact O-N 3.06Å; G387-V390 PolarHBondContact O-N 3.26Å; G387-V390 VanDerWaalsContact O-N 3.12Å; V390-L393 PolarHBondContact O-N 2.92Å; V390-A394 PolarHBondContact O-N 2.86Å
391I95.7Very high93.6Very high12 Ų1218 Ų186%0.0629%0.093CC..Hα-helixtrans-59.9-52.3174.3-73.1163.5000110L313 F317 G387 W388 L393 A394 M395 P457 F458L313-I391 HydrophobicContact CD2-CG1 4Å; F317-I391 HydrophobicContact CD2-CG2 4.47Å; F317-I391 HydrophobicContact CE2-CB 4.44Å; F317-I391 HydrophobicContact CE2-CD1 4.13Å; F317-I391 HydrophobicContact CE2-CG1 4.14Å; F317-I391 HydrophobicContact CE2-CG2 3.45Å; F317-I391 VanDerWaalsContact CE2-CG2 3.45Å; F317-I391 HydrophobicContact CZ-CG2 3.75Å; G387-I391 WeakPolarHBondContact O-CB 3.41Å; G387-I391 VanDerWaalsContact O-CG1 3.31Å; G387-I391 WeakPolarHBondContact O-CG1 3.29Å; G387-I391 PolarHBondContact O-N 3.39Å; W388-I391 PolarHBondContact O-N 3.41Å; I391-L393 VanDerWaalsContact C-N 3.32Å; I391-L393 PolarHBondContact O-N 3.06Å; I391-A394 WeakPolarHBondContact O-CB 3.44Å; I391-A394 PolarHBondContact O-N 3.16Å; I391-M395 HydrophobicContact CG2-CE 3.93Å; I391-M395 HydrophobicContact CG2-CG 4.46Å; I391-M395 WeakPolarHBondContact O-CG 3.46Å; I391-M395 PolarHBondContact O-N 3.05Å; I391-P457 HydrophobicContact CD1-CB 3.68Å; I391-P457 WeakPolarHBondContact CD1-O 3.45Å; I391-F458 HydrophobicContact CD1-CE1 4.33Å
392N95.8Very high93.7Very high3 Ų320.9 Ų20.92%0.01611%0.108CC..Hα-helixtrans-57.4-42.9179.1-74.4-12.6000112.8W388 V389 A394 M395 L396 N416 Q419 S461W388-N392 PolarHBondContact NE1-ND2 3.12Å; W388-N392 WeakPolarHBondContact O-CB 3.31Å; W388-N392 VanDerWaalsContact O-CG 3.25Å; W388-N392 PolarHBondContact O-N 3.09Å; V389-N392 PolarHBondContact O-N 3.38Å; N392-A394 VanDerWaalsContact C-N 3.34Å; N392-A394 PolarHBondContact O-N 2.84Å; N392-M395 WeakPolarHBondContact O-CB 3.39Å; N392-M395 PolarHBondContact O-N 3.48Å; N392-L396 PolarHBondContact O-N 3.42Å; N392-N416 WeakPolarHBondContact CB-OD1 3.19Å; N392-N416 PolarHBondContact O-OD1 3.31Å; N392-N416 VanDerWaalsContact O-OD1 3.11Å; N392-Q419 PolarHBondContact ND2-OE1 3.04Å; N392-S461 WeakPolarHBondContact OD1-CA 3.38Å; N392-S461 VanDerWaalsContact OD1-CB 3.28Å; N392-S461 WeakPolarHBondContact OD1-CB 3.28Å
393L94.8Very high93.6Very high52 Ų5223.9 Ų23.927%0.27212%0.122SC..Hα-helixtrans-61.8-40.9175.3177.561.2000111.9I300 L304 V389 V390 I391 L396 L397I300-L393 HydrophobicContact CG2-CD2 3.78Å; L304-L393 HydrophobicContact CD1-CD2 4.43Å; V389-L393 WeakPolarHBondContact O-CB 3.41Å; V389-L393 PolarHBondContact O-N 3Å; V390-L393 PolarHBondContact O-N 2.92Å; I391-L393 VanDerWaalsContact C-N 3.32Å; I391-L393 PolarHBondContact O-N 3.06Å; L393-L396 PolarHBondContact O-N 2.95Å; L393-L397 HydrophobicContact CD1-CD1 4.33Å; L393-L397 HydrophobicContact CD1-CG 4.47Å; L393-L397 HydrophobicContact CG-CD1 4.24Å; L393-L397 VanDerWaalsContact O-CG 3.31Å; L393-L397 WeakPolarHBondContact O-CG 2.95Å; L393-L397 PolarHBondContact O-N 2.74Å
394A94.4Very high93.2Very high0 Ų030.5 Ų30.50%016%0.157CC..Hα-helixtrans-66.7-36.2174.900000112.4F310 L313 V390 I391 N392 L397 A398F310-A394 HydrophobicContact CB-CB 4.37Å; L313-A394 HydrophobicContact CB-CB 4.09Å; L313-A394 HydrophobicContact CD2-CB 3.57Å; L313-A394 HydrophobicContact CG-CB 4.4Å; V390-A394 PolarHBondContact O-N 2.86Å; I391-A394 WeakPolarHBondContact O-CB 3.44Å; I391-A394 PolarHBondContact O-N 3.16Å; N392-A394 VanDerWaalsContact C-N 3.34Å; N392-A394 PolarHBondContact O-N 2.84Å; A394-L397 PolarHBondContact O-N 2.79Å; A394-A398 VanDerWaalsContact O-CB 3.3Å; A394-A398 WeakPolarHBondContact O-CB 3.19Å; A394-A398 PolarHBondContact O-N 3.48Å
395M94.5Very high92.8Very high0 Ų034.2 Ų34.20%017%0.174CC..Hα-helixtrans-62.9-43.9172.7-61.5-54.916700111.5Y314 F317 I391 N392 L397 A398 E399 M412 A464 F465 V468Y314-M395 HydrophobicContact CD2-CE 4.45Å; Y314-M395 HydrophobicContact CD2-SD 3.67Å; Y314-M395 HydrophobicContact CE2-SD 4.37Å; F317-M395 HydrophobicContact CB-CE 4.4Å; F317-M395 HydrophobicContact CD1-CE 3.64Å; F317-M395 HydrophobicContact CD2-CE 3.53Å; F317-M395 HydrophobicContact CE1-CE 3.63Å; F317-M395 HydrophobicContact CE2-CE 3.54Å; F317-M395 HydrophobicContact CG-CE 3.6Å; F317-M395 HydrophobicContact CZ-CE 3.6Å; I391-M395 HydrophobicContact CG2-CE 3.93Å; I391-M395 HydrophobicContact CG2-CG 4.46Å; I391-M395 WeakPolarHBondContact O-CG 3.46Å; I391-M395 PolarHBondContact O-N 3.05Å; N392-M395 WeakPolarHBondContact O-CB 3.39Å; N392-M395 PolarHBondContact O-N 3.48Å; M395-L397 VanDerWaalsContact C-N 3.35Å; M395-L397 PolarHBondContact O-N 3.2Å; M395-A398 PolarHBondContact O-N 2.96Å; M395-E399 PolarHBondContact O-N 2.93Å; M395-M412 HydrophobicContact CB-CE 4.49Å; M395-A464 HydrophobicContact CB-CB 3.9Å; M395-A464 HydrophobicContact CG-CB 4.08Å; M395-F465 HydrophobicContact CE-CB 4.16Å; M395-F465 HydrophobicContact CE-CD2 3.69Å; M395-F465 HydrophobicContact CE-CE2 4.48Å; M395-F465 HydrophobicContact CE-CG 4.23Å; M395-F465 HydrophobicContact SD-CB 4.14Å; M395-F465 HydrophobicContact SD-CD2 3.7Å; M395-F465 HydrophobicContact SD-CG 4.39Å; M395-V468 HydrophobicContact CB-CG2 3.91Å; M395-V468 WeakPolarHBondContact O-CG2 3.46Å; M395-V468 HydrophobicContact SD-CG2 4.19Å
396L94.3Very high92.3Very high28 Ų2840.3 Ų40.315%0.14721%0.212CC..Hα-helixtrans-60.3-43.3175.9178.7155.8000111.8N392 L393 M400 P408 M412 N416N392-L396 PolarHBondContact O-N 3.42Å; L393-L396 PolarHBondContact O-N 2.95Å; L396-M400 HydrophobicContact CD2-SD 4.02Å; L396-M400 WeakPolarHBondContact O-CG 3.47Å; L396-M400 PolarHBondContact O-N 2.66Å; L396-P408 HydrophobicContact CD1-CB 4.38Å; L396-P408 HydrophobicContact CD1-CG 4.13Å; L396-P408 HydrophobicContact CD2-CB 4.12Å; L396-P408 HydrophobicContact CD2-CG 3.94Å; L396-P408 HydrophobicContact CG-CB 3.81Å; L396-P408 HydrophobicContact CG-CG 3.93Å; L396-M412 HydrophobicContact CB-CG 3.8Å; L396-M412 HydrophobicContact CB-SD 4.27Å; L396-M412 HydrophobicContact CD1-CG 4.21Å; L396-M412 HydrophobicContact CG-CG 3.93Å; L396-N416 HydrophobicContact CD1-CB 4.13Å
397L92.5Very high91.8Very high52 Ų5246.6 Ų46.627%0.27224%0.243SC..Hα-helixtrans-70.3-31.1175.8-66.2169.4000112.6L304 F310 L393 A394 M395 M400 K401L304-L397 HydrophobicContact CD2-CD1 3.69Å; F310-L397 HydrophobicContact CB-CD1 4.15Å; F310-L397 HydrophobicContact CD2-CD1 4.49Å; F310-L397 HydrophobicContact CG-CD1 4.39Å; L393-L397 HydrophobicContact CD1-CD1 4.33Å; L393-L397 HydrophobicContact CD1-CG 4.47Å; L393-L397 HydrophobicContact CG-CD1 4.24Å; L393-L397 VanDerWaalsContact O-CG 3.31Å; L393-L397 WeakPolarHBondContact O-CG 2.95Å; L393-L397 PolarHBondContact O-N 2.74Å; A394-L397 PolarHBondContact O-N 2.79Å; M395-L397 VanDerWaalsContact C-N 3.35Å; M395-L397 PolarHBondContact O-N 3.2Å; L397-M400 HydrophobicContact CD2-SD 4.43Å; L397-K401 PolarHBondContact O-N 2.96Å; L397-K401 VanDerWaalsContact O-N 3.1Å
398A92.1Very high91.5Very high0 Ų047.2 Ų47.20%025%0.247CC..Hα-helixtrans-70.3-41.7175.300000112.3Y314 A394 M395 M400 K401 I402 V468Y314-A398 HydrophobicContact CD1-CB 4.2Å; Y314-A398 HydrophobicContact CD2-CB 4.16Å; Y314-A398 HydrophobicContact CG-CB 3.79Å; A394-A398 VanDerWaalsContact O-CB 3.3Å; A394-A398 WeakPolarHBondContact O-CB 3.19Å; A394-A398 PolarHBondContact O-N 3.48Å; M395-A398 PolarHBondContact O-N 2.96Å; A398-M400 VanDerWaalsContact C-N 3.35Å; A398-M400 PolarHBondContact O-N 3.4Å; A398-K401 PolarHBondContact O-N 3.29Å; A398-I402 WeakPolarHBondContact O-CB 3.22Å; A398-I402 WeakPolarHBondContact O-CG1 3.39Å; A398-I402 PolarHBondContact O-N 3.4Å; A398-V468 HydrophobicContact CB-CG1 4.19Å
399E92.5Very high91.2Very high0 Ų048.1 Ų48.10%025%0.253CS..Hα-helixtrans-55.2-50172.3-178.9-166.1-123.100110.8M395 K401 I402 H403 P408 S409 M412 V468M395-E399 PolarHBondContact O-N 2.93Å; E399-K401 PolarHBondContact O-N 3.14Å; E399-I402 PolarHBondContact O-N 3.15Å; E399-H403 PolarHBondContact O-CD2 2.93Å; E399-H403 VanDerWaalsContact O-CD2 3.3Å; E399-H403 PolarHBondContact O-N 2.7Å; E399-P408 WeakPolarHBondContact OE2-CA 3.29Å; E399-P408 WeakPolarHBondContact OE2-CB 3.28Å; E399-S409 WeakPolarHBondContact OE1-CB 3.42Å; E399-S409 PolarHBondContact OE1-OG 2.93Å; E399-S409 PolarHBondContact OE2-N 2.57Å; E399-M412 HydrophobicContact CB-CE 3.77Å; E399-M412 HydrophobicContact CG-CE 4.21Å; E399-M412 WeakPolarHBondContact OE1-CB 3.21Å; E399-M412 VanDerWaalsContact OE2-CB 3.23Å; E399-M412 WeakPolarHBondContact OE2-CB 3.35Å; E399-M412 WeakPolarHBondContact OE2-CG 3.48Å; E399-V468 HydrophobicContact CB-CG2 4.44Å
400M91Very high91Very high44 Ų4448.9 Ų48.922%0.21726%0.256CS..Hα-helixtrans-57.7-45.1177.1-68.2175.868.900112.6L396 L397 A398 N404 Q405 P408L396-M400 HydrophobicContact CD2-SD 4.02Å; L396-M400 WeakPolarHBondContact O-CG 3.47Å; L396-M400 PolarHBondContact O-N 2.66Å; L397-M400 HydrophobicContact CD2-SD 4.43Å; A398-M400 VanDerWaalsContact C-N 3.35Å; A398-M400 PolarHBondContact O-N 3.4Å; M400-N404 CarbonylContact O-C 3.56Å; M400-N404 WeakPolarHBondContact O-CA 3.45Å; M400-N404 PolarHBondContact O-N 3.17Å; M400-N404 VanDerWaalsContact O-N 3.08Å; M400-Q405 PolarHBondContact O-N 3.25Å; M400-P408 HydrophobicContact CG-CB 3.84Å; M400-P408 HydrophobicContact CG-CG 4.46Å; M400-P408 HydrophobicContact SD-CB 4.12Å; M400-P408 HydrophobicContact SD-CG 4.13Å
401K90.4Very high90.9Very high97 Ų9747.8 Ų47.842%0.42225%0.249SC..Hα-helixtrans-69.3-41.2-178.8-169177.4178.2-174.50112.5E309 H311 L397 A398 E399E309-K401 IonicContact OE1-NZ 3.38Å; E309-K401 PolarHBondContact OE1-NZ 2.65Å; H311-K401 HydrophobicContact CB-CD 4.18Å; L397-K401 PolarHBondContact O-N 2.96Å; L397-K401 VanDerWaalsContact O-N 3.1Å; A398-K401 PolarHBondContact O-N 3.29Å; E399-K401 PolarHBondContact O-N 3.14Å
402I89.9Confident90.9Very high66 Ų6647.2 Ų47.234%0.33825%0.246SC..Hα-helixtrans-71.3-48.5-178-71.7164.9000110.9Y314 A398 E399 N404 V468Y314-I402 HydrophobicContact CD1-CD1 4.18Å; Y314-I402 HydrophobicContact CE1-CD1 3.58Å; A398-I402 WeakPolarHBondContact O-CB 3.22Å; A398-I402 WeakPolarHBondContact O-CG1 3.39Å; A398-I402 PolarHBondContact O-N 3.4Å; E399-I402 PolarHBondContact O-N 3.15Å; I402-N404 PolarHBondContact O-N 2.89Å; I402-N404 PolarHBondContact O-ND2 2.85Å; I402-V468 HydrophobicContact CD1-CG1 3.55Å
403H87.9Confident90.8Very high62 Ų6249.8 Ų49.829%0.28726%0.259SS..THydrogen-bonded Turntrans-83.82.5-179-61.8-69000113.5E399 Q405 V468E399-H403 PolarHBondContact O-CD2 2.93Å; E399-H403 VanDerWaalsContact O-CD2 3.3Å; E399-H403 PolarHBondContact O-N 2.7Å; H403-Q405 HydrophobicContact CB-CG 3.8Å; H403-Q405 PolarHBondContact O-N 2.89Å; H403-V468 PolarHBondContact NE2-O 3.07Å
404N86.1Confident90.9Very high146 Ų14648 Ų4878%0.78125%0.25SS*.THydrogen-bonded Turntrans53.139.4-177-67.8-94.3000113.1M400 I402M400-N404 CarbonylContact O-C 3.56Å; M400-N404 WeakPolarHBondContact O-CA 3.45Å; M400-N404 PolarHBondContact O-N 3.17Å; M400-N404 VanDerWaalsContact O-N 3.08Å; I402-N404 PolarHBondContact O-N 2.89Å; I402-N404 PolarHBondContact O-ND2 2.85Å
405Q84.1Confident90.9Very high78 Ų7848 Ų4836%0.36425%0.25SS..  trans-97.8133.6-176.4-62.6-178.71100111.3M400 H403 M407M400-Q405 PolarHBondContact O-N 3.25Å; H403-Q405 HydrophobicContact CB-CG 3.8Å; H403-Q405 PolarHBondContact O-N 2.89Å; Q405-M407 WeakPolarHBondContact CB-O 3.2Å; Q405-M407 PolarHBondContact O-N 3.35Å
406T83.6Confident91Very high149 Ų14949 Ų4991%0.91426%0.255SS*.SBendtrans-73.7-11176.750.90000113.8
407M85.3Confident91.1Very high134 Ų13450.4 Ų50.466%0.6627%0.267SS*.SBendtrans-147139178.4-166.7172.27200108.1Q405Q405-M407 WeakPolarHBondContact CB-O 3.2Å; Q405-M407 PolarHBondContact O-N 3.35Å
408P88Confident91.3Very high19 Ų1948.6 Ų48.612%0.12326%0.257CS..  trans-70.8165-177.629.5-34.1000112L396 E399 M400 I413L396-P408 HydrophobicContact CD1-CB 4.38Å; L396-P408 HydrophobicContact CD1-CG 4.13Å; L396-P408 HydrophobicContact CD2-CB 4.12Å; L396-P408 HydrophobicContact CD2-CG 3.94Å; L396-P408 HydrophobicContact CG-CB 3.81Å; L396-P408 HydrophobicContact CG-CG 3.93Å; E399-P408 WeakPolarHBondContact OE2-CA 3.29Å; E399-P408 WeakPolarHBondContact OE2-CB 3.28Å; M400-P408 HydrophobicContact CG-CB 3.84Å; M400-P408 HydrophobicContact CG-CG 4.46Å; M400-P408 HydrophobicContact SD-CB 4.12Å; M400-P408 HydrophobicContact SD-CG 4.13Å; P408-I413 HydrophobicContact CB-CG1 4.41Å; P408-I413 HydrophobicContact CG-CD1 4.06Å; P408-I413 HydrophobicContact CG-CG1 3.76Å
409S91.4Very high91.6Very high18 Ų1848.6 Ų48.613%0.12626%0.257CS..  trans-65.2148.6-178.277.50000111.7E399 S411 M412 I413E399-S409 WeakPolarHBondContact OE1-CB 3.42Å; E399-S409 PolarHBondContact OE1-OG 2.93Å; E399-S409 PolarHBondContact OE2-N 2.57Å; S409-S411 PolarHBondContact O-N 3.49Å; S409-S411 VanDerWaalsContact O-N 3.15Å; S409-M412 PolarHBondContact O-N 3.5Å; S409-M412 VanDerWaalsContact O-N 3.08Å; S409-M412 WeakPolarHBondContact OG-CB 3.35Å; S409-M412 PolarHBondContact OG-N 3.32Å; S409-I413 WeakPolarHBondContact O-CG1 3.28Å; S409-I413 PolarHBondContact O-N 3.15Å
410L92.3Very high91.7Very high42 Ų4252 Ų5222%0.2228%0.275CS..Hα-helixtrans-54.3-36.6175.9-178.158000111.2I413 L414 W476 A479L410-I413 PolarHBondContact O-N 3Å; L410-L414 VanDerWaalsContact O-CG 3.27Å; L410-L414 WeakPolarHBondContact O-CG 3.27Å; L410-L414 PolarHBondContact O-N 2.72Å; L410-W476 HydrophobicContact CD1-CH2 4.17Å; L410-W476 HydrophobicContact CD1-CZ3 4.04Å; L410-W476 HydrophobicContact CD2-CD2 4.24Å; L410-W476 HydrophobicContact CD2-CE3 4.15Å; L410-W476 HydrophobicContact CD2-CH2 4.48Å; L410-W476 HydrophobicContact CD2-CZ3 4.27Å; L410-A479 HydrophobicContact CD2-CB 3.71Å; L410-A479 HydrophobicContact CG-CB 4.21Å
411S93.1Very high92Very high1 Ų153.3 Ų53.31%0.00728%0.283CS..Hα-helixtrans-63.5-48.8177-47.60000111.9S409 L414 V415 T472 I474S409-S411 PolarHBondContact O-N 3.49Å; S409-S411 VanDerWaalsContact O-N 3.15Å; S411-L414 PolarHBondContact O-N 3.4Å; S411-V415 WeakPolarHBondContact O-CG2 3.27Å; S411-V415 PolarHBondContact O-N 3.3Å; S411-T472 PolarHBondContact OG-O 3.49Å; S411-I474 WeakPolarHBondContact OG-CD1 3.4Å; S411-I474 VanDerWaalsContact OG-CG1 3.27Å; S411-I474 WeakPolarHBondContact OG-CG1 3.24Å
412M94.5Very high92.2Very high0 Ų050.7 Ų50.70%027%0.271CS..Hα-helixtrans-62.7-42176.6-174.666.280.400111.6M395 L396 E399 S409 V415 N416 A464 L467 V468M395-M412 HydrophobicContact CB-CE 4.49Å; L396-M412 HydrophobicContact CB-CG 3.8Å; L396-M412 HydrophobicContact CB-SD 4.27Å; L396-M412 HydrophobicContact CD1-CG 4.21Å; L396-M412 HydrophobicContact CG-CG 3.93Å; E399-M412 HydrophobicContact CB-CE 3.77Å; E399-M412 HydrophobicContact CG-CE 4.21Å; E399-M412 WeakPolarHBondContact OE1-CB 3.21Å; E399-M412 VanDerWaalsContact OE2-CB 3.23Å; E399-M412 WeakPolarHBondContact OE2-CB 3.35Å; E399-M412 WeakPolarHBondContact OE2-CG 3.48Å; S409-M412 PolarHBondContact O-N 3.5Å; S409-M412 VanDerWaalsContact O-N 3.08Å; S409-M412 WeakPolarHBondContact OG-CB 3.35Å; S409-M412 PolarHBondContact OG-N 3.32Å; M412-V415 PolarHBondContact O-N 3.48Å; M412-N416 VanDerWaalsContact O-CB 3.3Å; M412-N416 WeakPolarHBondContact O-CB 3.27Å; M412-N416 PolarHBondContact O-N 2.76Å; M412-N416 PolarHBondContact O-ND2 3.38Å; M412-N416 PolarHBondContact SD-ND2 3.14Å; M412-A464 WeakPolarHBondContact CE-O 3.45Å; M412-A464 HydrophobicContact SD-CB 4.05Å; M412-L467 HydrophobicContact CE-CB 3.75Å; M412-V468 HydrophobicContact CE-CG2 3.85Å
413I94.8Very high92.5Very high57 Ų5747.6 Ų47.629%0.29225%0.254SS..Hα-helixtrans-59.3-46.7175.2-66.2167.3000110.7P408 S409 L410 S417P408-I413 HydrophobicContact CB-CG1 4.41Å; P408-I413 HydrophobicContact CG-CD1 4.06Å; P408-I413 HydrophobicContact CG-CG1 3.76Å; S409-I413 WeakPolarHBondContact O-CG1 3.28Å; S409-I413 PolarHBondContact O-N 3.15Å; L410-I413 PolarHBondContact O-N 3Å; I413-S417 WeakPolarHBondContact O-CB 3.46Å; I413-S417 PolarHBondContact O-N 3.4Å; I413-S417 PolarHBondContact O-OG 3.16Å
414L95.5Very high92.9Very high16 Ų1646.7 Ų46.78%0.08425%0.253CS..Hα-helixtrans-62.3-50.3179.1-70.4176.3000111.8L410 S411 N416 S417 F418 I474 A479 P553L410-L414 VanDerWaalsContact O-CG 3.27Å; L410-L414 WeakPolarHBondContact O-CG 3.27Å; L410-L414 PolarHBondContact O-N 2.72Å; S411-L414 PolarHBondContact O-N 3.4Å; L414-N416 PolarHBondContact O-N 2.69Å; L414-S417 PolarHBondContact O-N 3.4Å; L414-F418 HydrophobicContact CB-CD2 4.48Å; L414-F418 HydrophobicContact CB-CE2 3.9Å; L414-F418 HydrophobicContact CB-CZ 4.12Å; L414-F418 HydrophobicContact CD2-CE1 4.24Å; L414-F418 HydrophobicContact CD2-CE2 4.38Å; L414-F418 HydrophobicContact CD2-CZ 3.74Å; L414-F418 HydrophobicContact CG-CZ 4.4Å; L414-F418 WeakPolarHBondContact O-CD2 3.35Å; L414-F418 WeakPolarHBondContact O-CG 3.17Å; L414-F418 PolarHBondContact O-N 2.82Å; L414-I474 HydrophobicContact CD1-CD1 4.37Å; L414-A479 HydrophobicContact CD1-CB 3.89Å; L414-P553 HydrophobicContact CB-CG 4.22Å
415V95.9Very high93.2Very high0 Ų040.3 Ų40.30%022%0.219CC..Hα-helixtrans-57.8-51.5178.7174.80000110.8S411 M412 S417 F418 Q419 Q463 A464 L467 P553S411-V415 WeakPolarHBondContact O-CG2 3.27Å; S411-V415 PolarHBondContact O-N 3.3Å; M412-V415 PolarHBondContact O-N 3.48Å; V415-S417 PolarHBondContact O-N 2.89Å; V415-F418 PolarHBondContact O-N 3.2Å; V415-Q419 WeakPolarHBondContact O-CB 3.3Å; V415-Q419 VanDerWaalsContact O-CG 3.32Å; V415-Q419 WeakPolarHBondContact O-CG 3.28Å; V415-Q419 PolarHBondContact O-N 3.09Å; V415-Q419 VanDerWaalsContact O-N 3.07Å; V415-Q463 HydrophobicContact CG1-CB 3.86Å; V415-Q463 HydrophobicContact CG2-CB 4.28Å; V415-A464 HydrophobicContact CG1-CB 4.32Å; V415-L467 HydrophobicContact CG2-CD1 3.83Å; V415-P553 HydrophobicContact CG2-CB 3.78Å; V415-P553 HydrophobicContact CG2-CG 3.96Å
416N96.5Very high93.6Very high20 Ų2037.8 Ų37.811%0.10721%0.211CC..Hα-helixtrans-57.6-48.2177.8-87.1-99.2000111.5N392 L396 M412 L414 F418 L420N392-N416 WeakPolarHBondContact CB-OD1 3.19Å; N392-N416 PolarHBondContact O-OD1 3.31Å; N392-N416 VanDerWaalsContact O-OD1 3.11Å; L396-N416 HydrophobicContact CD1-CB 4.13Å; M412-N416 VanDerWaalsContact O-CB 3.3Å; M412-N416 WeakPolarHBondContact O-CB 3.27Å; M412-N416 PolarHBondContact O-N 2.76Å; M412-N416 PolarHBondContact O-ND2 3.38Å; M412-N416 PolarHBondContact SD-ND2 3.14Å; L414-N416 PolarHBondContact O-N 2.69Å; N416-F418 PolarHBondContact O-N 2.84Å; N416-L420 WeakPolarHBondContact O-CB 3.36Å; N416-L420 PolarHBondContact O-N 3.11Å
417S96.6Very high94.1Very high57 Ų5730.8 Ų30.840%0.39917%0.169SC..Hα-helixtrans-65.2-41.6-175.9-59.60000112.6I413 L414 V415 L421I413-S417 WeakPolarHBondContact O-CB 3.46Å; I413-S417 PolarHBondContact O-N 3.4Å; I413-S417 PolarHBondContact O-OG 3.16Å; L414-S417 PolarHBondContact O-N 3.4Å; V415-S417 PolarHBondContact O-N 2.89Å; S417-L421 VanDerWaalsContact O-CB 3.28Å; S417-L421 WeakPolarHBondContact O-CB 3.4Å; S417-L421 PolarHBondContact O-N 3.09Å
418F96.6Very high94.4Very high14 Ų1432.9 Ų32.96%0.06117%0.169CC..Hα-helixtrans-70.4-43.6179.7-57.5-29.4000112.1L414 V415 N416 L421 Y422 I482 T483 N486 W550L414-F418 HydrophobicContact CB-CD2 4.48Å; L414-F418 HydrophobicContact CB-CE2 3.9Å; L414-F418 HydrophobicContact CB-CZ 4.12Å; L414-F418 HydrophobicContact CD2-CE1 4.24Å; L414-F418 HydrophobicContact CD2-CE2 4.38Å; L414-F418 HydrophobicContact CD2-CZ 3.74Å; L414-F418 HydrophobicContact CG-CZ 4.4Å; L414-F418 WeakPolarHBondContact O-CD2 3.35Å; L414-F418 WeakPolarHBondContact O-CG 3.17Å; L414-F418 PolarHBondContact O-N 2.82Å; V415-F418 PolarHBondContact O-N 3.2Å; N416-F418 PolarHBondContact O-N 2.84Å; F418-L421 PolarHBondContact O-N 3.27Å; F418-Y422 PolarHBondContact O-N 3.22Å; F418-I482 HydrophobicContact CE2-CG2 3.8Å; F418-I482 HydrophobicContact CZ-CG2 4.26Å; F418-T483 HydrophobicContact CE1-CG2 4.34Å; F418-N486 HydrophobicContact CD1-CB 4.09Å; F418-N486 VanDerWaalsContact CD1-ND2 3.27Å; F418-N486 WeakPolarHBondContact CD1-ND2 3.39Å; F418-N486 HydrophobicContact CD2-CB 4.33Å; F418-N486 HydrophobicContact CE1-CB 4.01Å; F418-N486 HydrophobicContact CE2-CB 4.26Å; F418-N486 HydrophobicContact CG-CB 4.25Å; F418-N486 HydrophobicContact CZ-CB 4.09Å; F418-W550 VanDerWaalsContact CB-CD1 3.42Å; F418-W550 HydrophobicContact CB-CG 4.37Å; F418-W550 AromaticContact CD2-CD1 3.89Å
419Q96.6Very high94.6Very high0 Ų034.1 Ų34.10%018%0.175CC..Hα-helixtrans-69.5-39.4179.5-66-173.2-7.400111.5W388 N392 V415 Y422 V423 Y460 W550W388-Q419 HydrophobicContact CH2-CB 4.15Å; W388-Q419 HydrophobicContact CH2-CG 4.26Å; W388-Q419 HydrophobicContact CZ2-CB 3.62Å; W388-Q419 VanDerWaalsContact CZ2-CD 3.41Å; W388-Q419 HydrophobicContact CZ2-CG 3.55Å; N392-Q419 PolarHBondContact ND2-OE1 3.04Å; V415-Q419 WeakPolarHBondContact O-CB 3.3Å; V415-Q419 VanDerWaalsContact O-CG 3.32Å; V415-Q419 WeakPolarHBondContact O-CG 3.28Å; V415-Q419 PolarHBondContact O-N 3.09Å; V415-Q419 VanDerWaalsContact O-N 3.07Å; Q419-Y422 PolarHBondContact O-N 3.41Å; Q419-V423 PolarHBondContact O-N 2.65Å; Q419-Y460 PolarHBondContact NE2-O 3.35Å; Q419-Y460 PolarHBondContact OE1-O 3.12Å; Q419-W550 HydrophobicContact CG-CD2 3.92Å; Q419-W550 HydrophobicContact CG-CE3 3.89Å; Q419-W550 HydrophobicContact CG-CG 4.21Å; Q419-W550 HydrophobicContact CG-CZ3 4.43Å
420L96.7Very high94.5Very high71 Ų7133.3 Ų33.337%0.37217%0.169SC..Hα-helixtrans-57.8-47.9170.317363.1000111.8F293 V389 N416 Y422 V423 V424F293-L420 HydrophobicContact CE2-CD1 4.37Å; F293-L420 HydrophobicContact CZ-CD1 3.82Å; V389-L420 HydrophobicContact CG1-CD1 3.76Å; V389-L420 HydrophobicContact CG2-CD1 4.4Å; N416-L420 WeakPolarHBondContact O-CB 3.36Å; N416-L420 PolarHBondContact O-N 3.11Å; L420-Y422 VanDerWaalsContact C-N 3.3Å; L420-Y422 PolarHBondContact O-N 2.85Å; L420-V423 PolarHBondContact O-N 2.69Å; L420-V424 HydrophobicContact CD1-CG2 3.87Å; L420-V424 HydrophobicContact CG-CG2 4.41Å; L420-V424 WeakPolarHBondContact O-CB 3.25Å; L420-V424 WeakPolarHBondContact O-CG2 3.22Å; L420-V424 PolarHBondContact O-N 2.77Å
421L96Very high94.4Very high73 Ų7333.4 Ų33.438%0.38217%0.169SC..Hα-helixtrans-61-39.9179-178.7148.9000111.6S417 F418 D425 Y490S417-L421 VanDerWaalsContact O-CB 3.28Å; S417-L421 WeakPolarHBondContact O-CB 3.4Å; S417-L421 PolarHBondContact O-N 3.09Å; F418-L421 PolarHBondContact O-N 3.27Å; L421-D425 VanDerWaalsContact O-CB 3.27Å; L421-D425 WeakPolarHBondContact O-CB 3.27Å; L421-D425 PolarHBondContact O-N 2.96Å; L421-Y490 HydrophobicContact CD2-CD1 4.47Å; L421-Y490 HydrophobicContact CD2-CD2 3.62Å; L421-Y490 HydrophobicContact CD2-CE1 4.41Å; L421-Y490 HydrophobicContact CD2-CE2 3.55Å; L421-Y490 HydrophobicContact CD2-CG 4.1Å
422Y95.3Very high94Very high42 Ų4234.9 Ų34.917%0.16518%0.18CC..Hα-helixtrans-63.7-46.8175.6-174-92.5000112.3W388 F418 Q419 L420 D425 A426 F493 D543 M546 W550W388-Y422 HydrophobicContact CH2-CD1 4.19Å; W388-Y422 HydrophobicContact CZ3-CD1 4.04Å; F418-Y422 PolarHBondContact O-N 3.22Å; Q419-Y422 PolarHBondContact O-N 3.41Å; L420-Y422 VanDerWaalsContact C-N 3.3Å; L420-Y422 PolarHBondContact O-N 2.85Å; Y422-D425 PolarHBondContact O-N 3.25Å; Y422-A426 WeakPolarHBondContact O-CB 3.47Å; Y422-A426 PolarHBondContact O-N 3.21Å; Y422-F493 HydrophobicContact CE2-CZ 4.45Å; Y422-D543 PolarHBondContact OH-OD1 3.42Å; Y422-M546 HydrophobicContact CD2-CE 3.83Å; Y422-M546 HydrophobicContact CD2-SD 4.15Å; Y422-M546 HydrophobicContact CE2-CE 3.71Å; Y422-W550 AromaticContact CD1-CH2 3.87Å; Y422-W550 HydrophobicContact CD1-CH2 3.87Å; Y422-W550 HydrophobicContact CD1-CZ2 4.44Å; Y422-W550 AromaticContact CD2-CH2 3.75Å; Y422-W550 HydrophobicContact CD2-CH2 3.75Å; Y422-W550 AromaticContact CD2-CZ2 3.68Å; Y422-W550 HydrophobicContact CD2-CZ2 3.68Å; Y422-W550 HydrophobicContact CE1-CH2 4.27Å; Y422-W550 HydrophobicContact CE2-CH2 4.15Å; Y422-W550 HydrophobicContact CE2-CZ2 4.38Å; Y422-W550 AromaticContact CG-CH2 3.59Å; Y422-W550 HydrophobicContact CG-CH2 3.59Å; Y422-W550 AromaticContact CG-CZ2 3.71Å; Y422-W550 HydrophobicContact CG-CZ2 3.71Å
423V95.8Very high93.7Very high0 Ų035.9 Ų35.90%019%0.187CC..Hα-helixtrans-64.9-43.3177.8171.70000111.7L385 W388 V389 Q419 L420 D425 A426 L427L385-V423 HydrophobicContact CB-CG1 4.17Å; L385-V423 HydrophobicContact CB-CG2 4.44Å; L385-V423 HydrophobicContact CD2-CG2 4.36Å; W388-V423 HydrophobicContact CD2-CG2 4.27Å; W388-V423 HydrophobicContact CE3-CG2 3.34Å; W388-V423 HydrophobicContact CH2-CG2 4.43Å; W388-V423 HydrophobicContact CZ3-CG2 3.44Å; W388-V423 VanDerWaalsContact CZ3-CG2 3.44Å; V389-V423 HydrophobicContact CG2-CB 3.74Å; V389-V423 HydrophobicContact CG2-CG1 3.68Å; V389-V423 HydrophobicContact CG2-CG2 3.82Å; Q419-V423 PolarHBondContact O-N 2.65Å; L420-V423 PolarHBondContact O-N 2.69Å; V423-D425 PolarHBondContact O-N 3.02Å; V423-A426 PolarHBondContact O-N 3.08Å; V423-L427 HydrophobicContact CG1-CD1 3.71Å; V423-L427 HydrophobicContact CG1-CG 4.32Å; V423-L427 WeakPolarHBondContact O-CB 3.27Å; V423-L427 VanDerWaalsContact O-CG 3.31Å; V423-L427 WeakPolarHBondContact O-CG 3.42Å; V423-L427 PolarHBondContact O-N 3.23Å
424V95.5Very high93.4Very high43 Ų4333.4 Ų33.426%0.26117%0.174SC..Hα-helixtrans-62.6-42.1176.8169.10000111.1F290 F293 L420 L427 W428F290-V424 HydrophobicContact CE2-CG1 4.21Å; F293-V424 HydrophobicContact CE1-CG2 3.87Å; F293-V424 HydrophobicContact CZ-CG2 3.85Å; L420-V424 HydrophobicContact CD1-CG2 3.87Å; L420-V424 HydrophobicContact CG-CG2 4.41Å; L420-V424 WeakPolarHBondContact O-CB 3.25Å; L420-V424 WeakPolarHBondContact O-CG2 3.22Å; L420-V424 PolarHBondContact O-N 2.77Å; V424-L427 PolarHBondContact O-N 2.9Å; V424-W428 VanDerWaalsContact O-CB 3.24Å; V424-W428 WeakPolarHBondContact O-CB 3.28Å; V424-W428 PolarHBondContact O-N 2.85Å
425D94.1Very high92.8Very high13 Ų1335 Ų357%0.0718%0.184CC..Hα-helixtrans-68-33.8176.5-177.146.7000112.6L421 Y422 V423 N429 Y490 R494L421-D425 VanDerWaalsContact O-CB 3.27Å; L421-D425 WeakPolarHBondContact O-CB 3.27Å; L421-D425 PolarHBondContact O-N 2.96Å; Y422-D425 PolarHBondContact O-N 3.25Å; V423-D425 PolarHBondContact O-N 3.02Å; D425-N429 WeakPolarHBondContact O-CB 3.48Å; D425-N429 PolarHBondContact O-N 3.43Å; D425-N429 VanDerWaalsContact O-N 3.16Å; D425-N429 PolarHBondContact O-ND2 2.94Å; D425-N429 PolarHBondContact OD1-ND2 3.25Å; D425-Y490 HydrophobicContact CB-CE2 4.01Å; D425-Y490 PolarHBondContact OD1-OH 2.86Å; D425-Y490 WeakPolarHBondContact OD2-CE2 3.29Å; D425-R494 VanDerWaalsContact CG-NE 3.28Å; D425-R494 IonicContact OD1-CZ 2.71Å; D425-R494 IonicContact OD1-NE 3.53Å; D425-R494 PolarHBondContact OD1-NE 3.3Å; D425-R494 IonicContact OD1-NH2 3.4Å; D425-R494 PolarHBondContact OD1-NH2 2.88Å; D425-R494 IonicContact OD2-CZ 2.76Å; D425-R494 IonicContact OD2-NE 3.11Å; D425-R494 PolarHBondContact OD2-NE 3.39Å; D425-R494 IonicContact OD2-NH2 2.77Å; D425-R494 PolarHBondContact OD2-NH2 3.12Å
426A92.4Very high92.3Very high24 Ų2436.5 Ų36.520%0.19819%0.194CC..Hα-helixtrans-64.2-49171.500000111.8L385 Y422 V423 N429 E430L385-A426 HydrophobicContact CD1-CB 4.34Å; Y422-A426 WeakPolarHBondContact O-CB 3.47Å; Y422-A426 PolarHBondContact O-N 3.21Å; V423-A426 PolarHBondContact O-N 3.08Å; A426-N429 CarbonylContact O-C 3.54Å; A426-N429 PolarHBondContact O-N 2.87Å; A426-E430 PolarHBondContact O-N 2.67Å; A426-E430 VanDerWaalsContact O-N 3.08Å
427L93.4Very high91.6Very high3 Ų336.2 Ų36.22%0.01619%0.192CC..Hα-helixtrans-69.5-33.7-179.4-67.2168.9000113.2F293 I386 V423 V424 N429 E430F293-L427 HydrophobicContact CB-CD1 3.76Å; F293-L427 HydrophobicContact CD2-CD1 3.87Å; F293-L427 HydrophobicContact CG-CD1 3.92Å; I386-L427 HydrophobicContact CG1-CD1 4.15Å; V423-L427 HydrophobicContact CG1-CD1 3.71Å; V423-L427 HydrophobicContact CG1-CG 4.32Å; V423-L427 WeakPolarHBondContact O-CB 3.27Å; V423-L427 VanDerWaalsContact O-CG 3.31Å; V423-L427 WeakPolarHBondContact O-CG 3.42Å; V423-L427 PolarHBondContact O-N 3.23Å; V424-L427 PolarHBondContact O-N 2.9Å; L427-N429 VanDerWaalsContact C-N 3.31Å; L427-E430 WeakPolarHBondContact O-CB 3.28Å
428W92.3Very high91.1Very high177 Ų17734.7 Ų34.767%0.6718%0.179SC*.Hα-helixtrans-68.4-32.3173.6-172.4-89.1000112.2F290 V424F290-W428 HydrophobicContact CD1-CE3 4.1Å; F290-W428 HydrophobicContact CD1-CZ3 4.07Å; F290-W428 AromaticContact CD2-CE3 3.84Å; F290-W428 HydrophobicContact CD2-CE3 3.84Å; F290-W428 HydrophobicContact CE1-CE3 4.05Å; F290-W428 AromaticContact CE1-CZ3 3.75Å; F290-W428 HydrophobicContact CE1-CZ3 3.75Å; F290-W428 AromaticContact CE2-CE3 3.79Å; F290-W428 HydrophobicContact CE2-CE3 3.79Å; F290-W428 HydrophobicContact CE2-CZ3 4.21Å; F290-W428 AromaticContact CG-CE3 3.99Å; F290-W428 HydrophobicContact CG-CE3 3.99Å; F290-W428 HydrophobicContact CG-CZ3 4.44Å; F290-W428 AromaticContact CZ-CE3 3.9Å; F290-W428 HydrophobicContact CZ-CE3 3.9Å; F290-W428 AromaticContact CZ-CZ3 3.82Å; F290-W428 HydrophobicContact CZ-CZ3 3.82Å; V424-W428 VanDerWaalsContact O-CB 3.24Å; V424-W428 WeakPolarHBondContact O-CB 3.28Å; V424-W428 PolarHBondContact O-N 2.85Å
429N90.7Very high90.7Very high46 Ų4634.2 Ų34.225%0.24618%0.177CC..THydrogen-bonded Turntrans-104.625.2-179.3-64.2-98.6000112.8D425 A426 L427 E431 A432 R494D425-N429 WeakPolarHBondContact O-CB 3.48Å; D425-N429 PolarHBondContact O-N 3.43Å; D425-N429 VanDerWaalsContact O-N 3.16Å; D425-N429 PolarHBondContact O-ND2 2.94Å; D425-N429 PolarHBondContact OD1-ND2 3.25Å; A426-N429 CarbonylContact O-C 3.54Å; A426-N429 PolarHBondContact O-N 2.87Å; L427-N429 VanDerWaalsContact C-N 3.31Å; N429-E431 PolarHBondContact O-N 2.9Å; N429-A432 VanDerWaalsContact O-CB 3.28Å; N429-A432 WeakPolarHBondContact O-CB 3.45Å; N429-A432 PolarHBondContact O-N 3.38Å; N429-R494 PolarHBondContact ND2-NH1 3.03Å; N429-R494 PolarHBondContact OD1-NH1 3.47Å
430E91.1Very high90.1Very high1 Ų135.7 Ų35.71%0.00519%0.186CC..G310 helixtrans-47.7-32.9-175.2168.3171.1-133.500114.5I287 N288 G289 Y377 L381 R382 A426 L427 A432 V433I287-E430 WeakPolarHBondContact CA-OE2 3.34Å; I287-E430 HydrophobicContact CD1-CG 4.22Å; I287-E430 HydrophobicContact CG2-CB 4.08Å; I287-E430 HydrophobicContact CG2-CG 3.98Å; I287-E430 WeakPolarHBondContact CG2-OE2 3.44Å; N288-E430 PolarHBondContact N-OE2 3.17Å; G289-E430 PolarHBondContact N-OE2 3.12Å; Y377-E430 HydrophobicContact CE2-CG 4.41Å; Y377-E430 WeakPolarHBondContact OH-CG 3.31Å; Y377-E430 PolarHBondContact OH-OE1 3.29Å; L381-E430 HydrophobicContact CD1-CG 3.86Å; R382-E430 IonicContact CZ-OE1 3.78Å; R382-E430 IonicContact NH1-OE1 3.36Å; R382-E430 PolarHBondContact NH1-OE1 2.91Å; R382-E430 IonicContact NH2-OE1 3.69Å; R382-E430 PolarHBondContact NH2-OE1 3.4Å; R382-E430 IonicContact NH2-OE2 3.72Å; A426-E430 PolarHBondContact O-N 2.67Å; A426-E430 VanDerWaalsContact O-N 3.08Å; L427-E430 WeakPolarHBondContact O-CB 3.28Å; E430-A432 PolarHBondContact O-N 3.38Å; E430-A432 VanDerWaalsContact O-N 3.12Å; E430-V433 WeakPolarHBondContact O-CB 3.15Å; E430-V433 WeakPolarHBondContact O-CG2 3.43Å; E430-V433 PolarHBondContact O-N 3.27Å; E430-V433 VanDerWaalsContact O-N 3.09Å
431E88.4Confident89.5Confident44 Ų4435.8 Ų35.821%0.20619%0.185CC..G310 helixtrans-56.6-26173.8-65.3-178.8149.700114.3K270 V272 I287 N429 V433 R505K270-E431 WeakPolarHBondContact CE-OE1 3.34Å; K270-E431 IonicContact NZ-OE1 3.39Å; K270-E431 PolarHBondContact NZ-OE1 2.96Å; K270-E431 IonicContact NZ-OE2 2.77Å; V272-E431 HydrophobicContact CG2-CG 4.36Å; I287-E431 HydrophobicContact CD1-CG 4.33Å; I287-E431 HydrophobicContact CG1-CG 4.2Å; I287-E431 HydrophobicContact CG2-CG 4.36Å; N429-E431 PolarHBondContact O-N 2.9Å; E431-V433 VanDerWaalsContact C-N 3.32Å; E431-R505 IonicContact OE2-CZ 2.62Å; E431-R505 IonicContact OE2-NH1 3.01Å; E431-R505 PolarHBondContact OE2-NH1 3Å; E431-R505 IonicContact OE2-NH2 3.17Å; E431-R505 PolarHBondContact OE2-NH2 3.25Å
432A86.3Confident89Confident31 Ų3132.5 Ų32.526%0.25617%0.167SC..G310 helixtrans-72.1-29179.600000112.3N429 E430 L434 T435N429-A432 VanDerWaalsContact O-CB 3.28Å; N429-A432 WeakPolarHBondContact O-CB 3.45Å; N429-A432 PolarHBondContact O-N 3.38Å; E430-A432 PolarHBondContact O-N 3.38Å; E430-A432 VanDerWaalsContact O-N 3.12Å; A432-L434 VanDerWaalsContact C-N 3.29Å; A432-L434 PolarHBondContact O-N 2.93Å; A432-T435 PolarHBondContact O-N 3.08Å; A432-T435 PolarHBondContact O-OG1 3.05Å
433V87.8Confident88.8Confident22 Ų2230.5 Ų30.513%0.13316%0.16CC..G310 helixtrans-65.3-34.8-177.8-174.20000110.5E380 L381 E430 E431 T435 T436 I439E380-V433 HydrophobicContact CG-CG1 4.36Å; E380-V433 VanDerWaalsContact OE1-CG1 3.28Å; E380-V433 WeakPolarHBondContact OE1-CG1 3.27Å; E380-V433 VanDerWaalsContact OE2-CG1 3.28Å; E380-V433 WeakPolarHBondContact OE2-CG1 3.48Å; L381-V433 HydrophobicContact CD1-CB 4.2Å; L381-V433 HydrophobicContact CD1-CG1 4.11Å; L381-V433 HydrophobicContact CD1-CG2 4.07Å; L381-V433 HydrophobicContact CD2-CG1 4.22Å; L381-V433 HydrophobicContact CD2-CG2 4.01Å; L381-V433 HydrophobicContact CG-CG1 4.3Å; E430-V433 WeakPolarHBondContact O-CB 3.15Å; E430-V433 WeakPolarHBondContact O-CG2 3.43Å; E430-V433 PolarHBondContact O-N 3.27Å; E430-V433 VanDerWaalsContact O-N 3.09Å; E431-V433 VanDerWaalsContact C-N 3.32Å; V433-T435 PolarHBondContact O-N 3.08Å; V433-T436 HydrophobicContact CG1-CG2 4.32Å; V433-T436 WeakPolarHBondContact O-CB 3.49Å; V433-T436 WeakPolarHBondContact O-CG2 3.32Å; V433-T436 PolarHBondContact O-N 3.06Å; V433-I439 HydrophobicContact CG1-CG1 4.44Å
434L87.7Confident88.7Confident4 Ų430.6 Ų30.62%0.02116%0.16CC..G310 helixtrans-60.5-2.8171-56-178.2000114.7V272 Y285 I287 Y377 A432V272-L434 HydrophobicContact CB-CD1 4.48Å; V272-L434 HydrophobicContact CG1-CD1 4.17Å; Y285-L434 HydrophobicContact CD1-CD2 3.51Å; Y285-L434 HydrophobicContact CD2-CD1 3.9Å; Y285-L434 HydrophobicContact CD2-CD2 3.69Å; Y285-L434 HydrophobicContact CD2-CG 4.42Å; Y285-L434 HydrophobicContact CE1-CD2 3.74Å; Y285-L434 HydrophobicContact CE2-CD2 3.93Å; Y285-L434 HydrophobicContact CG-CD1 3.99Å; Y285-L434 HydrophobicContact CG-CD2 3.47Å; Y285-L434 VanDerWaalsContact CG-CD2 3.47Å; Y285-L434 HydrophobicContact CG-CG 4.4Å; I287-L434 HydrophobicContact CD1-CD1 4.07Å; Y377-L434 HydrophobicContact CD2-CD2 3.69Å; Y377-L434 HydrophobicContact CE2-CD2 3.41Å; Y377-L434 VanDerWaalsContact CE2-CD2 3.41Å; Y377-L434 HydrophobicContact CE2-CG 4.21Å; Y377-L434 HydrophobicContact CG-CD2 4.43Å; A432-L434 VanDerWaalsContact C-N 3.29Å; A432-L434 PolarHBondContact O-N 2.93Å
435T84.1Confident88.6Confident50 Ų5028.7 Ų28.731%0.30715%0.149SC..G310 helixtrans-119.28.7174.574.80000114L275 A432 V433L275-T435 HydrophobicContact CD1-CG2 4.15Å; L275-T435 HydrophobicContact CG-CG2 4.29Å; A432-T435 PolarHBondContact O-N 3.08Å; A432-T435 PolarHBondContact O-OG1 3.05Å; V433-T435 PolarHBondContact O-N 3.08Å
436T84.8Confident88.6Confident31 Ų3128.1 Ų28.119%0.1915%0.146CC..SBendtrans-73.5158.3174.8-163.30000111.7V433 D438 I439 T440 R575V433-T436 HydrophobicContact CG1-CG2 4.32Å; V433-T436 WeakPolarHBondContact O-CB 3.49Å; V433-T436 WeakPolarHBondContact O-CG2 3.32Å; V433-T436 PolarHBondContact O-N 3.06Å; T436-D438 HydrophobicContact CG2-CB 3.85Å; T436-D438 WeakPolarHBondContact CG2-OD2 3.4Å; T436-D438 PolarHBondContact O-N 2.77Å; T436-D438 PolarHBondContact OG1-OD2 3Å; T436-I439 HydrophobicContact CG2-CB 3.92Å; T436-I439 HydrophobicContact CG2-CG1 3.78Å; T436-T440 WeakPolarHBondContact O-CB 3.26Å; T436-T440 VanDerWaalsContact O-CG2 3.26Å; T436-T440 WeakPolarHBondContact O-CG2 3.39Å; T436-T440 PolarHBondContact O-N 3.23Å; T436-T440 PolarHBondContact O-OG1 3.2Å; T436-R575 PolarHBondContact OG1-NH2 3.37Å
437M82.4Confident88.6Confident15 Ų1528.5 Ų28.57%0.07414%0.144CC..Hα-helixtrans-62.3-36.4176.2-178.5178.1-73.100111.2T440 H441 D442 R578 D579M437-T440 PolarHBondContact O-N 2.92Å; M437-H441 HydrophobicContact CG-CB 4.27Å; M437-H441 PolarHBondContact O-N 3.33Å; M437-D442 PolarHBondContact O-N 2.62Å; M437-R578 HydrophobicContact CE-CB 4.17Å; M437-R578 HydrophobicContact SD-CB 4.18Å; M437-R578 PolarHBondContact SD-NH1 3.01Å; M437-R578 VanDerWaalsContact SD-NH1 3.35Å; M437-D579 HydrophobicContact CE-CB 3.68Å
438D85.6Confident88.6Confident24 Ų2429.3 Ų29.313%0.12815%0.149CC..Hα-helixtrans-61.7-56.9-174.4-34-51.2000109.8K376 T436 T440 L448 R575K376-D438 WeakPolarHBondContact CE-O 3.34Å; K376-D438 PolarHBondContact NZ-O 2.95Å; T436-D438 HydrophobicContact CG2-CB 3.85Å; T436-D438 WeakPolarHBondContact CG2-OD2 3.4Å; T436-D438 PolarHBondContact O-N 2.77Å; T436-D438 PolarHBondContact OG1-OD2 3Å; D438-T440 PolarHBondContact O-N 3Å; D438-L448 HydrophobicContact CB-CD1 4.49Å; D438-R575 IonicContact OD1-CZ 3.13Å; D438-R575 IonicContact OD1-NH1 3.7Å; D438-R575 PolarHBondContact OD1-NH1 3.35Å; D438-R575 IonicContact OD1-NH2 3.79Å; D438-R575 PolarHBondContact OD1-NH2 3.25Å; D438-R575 IonicContact OD2-CZ 3.18Å; D438-R575 VanDerWaalsContact OD2-CZ 3.31Å; D438-R575 IonicContact OD2-NH1 2.7Å; D438-R575 PolarHBondContact OD2-NH1 2.9Å; D438-R575 VanDerWaalsContact OD2-NH1 3.08Å; D438-R575 IonicContact OD2-NH2 2.69Å; D438-R575 PolarHBondContact OD2-NH2 2.96Å
439I87.4Confident88.8Confident4 Ų420.9 Ų20.92%0.02112%0.117CC..Hα-helixtrans-57.8-40.6171.9-65.8-62.6000113.4N367 K376 Y377 E380 V433 T436N367-I439 PolarHBondContact OD1-O 2.93Å; N367-I439 VanDerWaalsContact OD1-O 3.12Å; K376-I439 HydrophobicContact CD-CD1 4.02Å; K376-I439 HydrophobicContact CG-CD1 4.11Å; K376-I439 PolarHBondContact NZ-O 3.36Å; Y377-I439 HydrophobicContact CD2-CD1 4.18Å; E380-I439 WeakPolarHBondContact OE2-CD1 3.46Å; E380-I439 VanDerWaalsContact OE2-CG1 3.29Å; E380-I439 WeakPolarHBondContact OE2-CG1 3.39Å; V433-I439 HydrophobicContact CG1-CG1 4.44Å; T436-I439 HydrophobicContact CG2-CB 3.92Å; T436-I439 HydrophobicContact CG2-CG1 3.78Å
440T85.5Confident89.1Confident32 Ų3218.8 Ų18.820%0.19611%0.105CC..Hα-helixtrans-98.5-18.9-161.462.10000116L275 T436 M437 D438L275-T440 HydrophobicContact CD1-CG2 3.98Å; T436-T440 WeakPolarHBondContact O-CB 3.26Å; T436-T440 VanDerWaalsContact O-CG2 3.26Å; T436-T440 WeakPolarHBondContact O-CG2 3.39Å; T436-T440 PolarHBondContact O-N 3.23Å; T436-T440 PolarHBondContact O-OG1 3.2Å; M437-T440 PolarHBondContact O-N 2.92Å; D438-T440 PolarHBondContact O-N 3Å
441H82.3Confident89.2Confident72 Ų7219.7 Ų19.733%0.33311%0.114SC..THydrogen-bonded Turntrans-133.9-37.2-173.4-70.5-32.1000113.6M437M437-H441 HydrophobicContact CG-CB 4.27Å; M437-H441 PolarHBondContact O-N 3.33Å
442D87.1Confident89.5Confident4 Ų418.5 Ų18.52%0.02111%0.11CC..SBendtrans-85.5149-178.4-63.6-10000111L366 K376 M437 L448 R578L366-D442 WeakPolarHBondContact CD1-O 3.06Å; K376-D442 PolarHBondContact NZ-O 2.69Å; M437-D442 PolarHBondContact O-N 2.62Å; D442-L448 HydrophobicContact CB-CD1 4.5Å; D442-R578 IonicContact OD1-CZ 3.96Å; D442-R578 IonicContact OD1-NH1 3.43Å; D442-R578 PolarHBondContact OD1-NH1 2.94Å; D442-R578 IonicContact OD1-NH2 3.44Å; D442-R578 PolarHBondContact OD1-NH2 2.66Å; D442-R578 IonicContact OD2-CZ 3.49Å; D442-R578 IonicContact OD2-NH1 2.94Å; D442-R578 PolarHBondContact OD2-NH1 2.81Å; D442-R578 IonicContact OD2-NH2 2.17Å; D442-R578 PolarHBondContact OD2-NH2 2.86Å
443G89.9Confident90Very high0 Ų017.2 Ų17.20%010%0.098CC..  trans-81.7162.7176.700000112.1T362 G445 L448T362-G443 CarbonylContact O-C 3.59Å; T362-G443 VanDerWaalsContact O-C 3.29Å; T362-G443 VanDerWaalsContact O-CA 3.27Å; T362-G443 WeakPolarHBondContact O-CA 3.21Å; T362-G443 PolarHBondContact O-N 2.84Å; T362-G443 VanDerWaalsContact O-O 3.06Å; G443-G445 PolarHBondContact O-N 3.31Å; G443-L448 VanDerWaalsContact O-CD1 3.29Å; G443-L448 WeakPolarHBondContact O-CD1 3.45Å
444F93.3Very high90.4Very high3 Ų316.2 Ų16.21%0.0139%0.092CC..SBendtrans-94.293.4171.8-163-126.8000110L331 L335 E365 P368 L375 K376 C379 L448 A449L331-F444 HydrophobicContact CD2-CE1 4.39Å; L331-F444 HydrophobicContact CD2-CZ 4.5Å; L335-F444 HydrophobicContact CD1-CD1 3.31Å; L335-F444 HydrophobicContact CD1-CE1 3.52Å; L335-F444 HydrophobicContact CD1-CG 4.14Å; L335-F444 HydrophobicContact CD1-CZ 4.47Å; L335-F444 HydrophobicContact CD2-CD1 3.92Å; L335-F444 HydrophobicContact CD2-CE1 4.42Å; L335-F444 HydrophobicContact CG-CD1 4.25Å; E365-F444 PolarHBondContact O-N 3.48Å; E365-F444 VanDerWaalsContact O-N 3.11Å; P368-F444 HydrophobicContact CG-CB 3.73Å; P368-F444 HydrophobicContact CG-CD1 3.69Å; P368-F444 HydrophobicContact CG-CG 4.16Å; L375-F444 HydrophobicContact CB-CD1 4.24Å; L375-F444 HydrophobicContact CB-CE1 4Å; K376-F444 HydrophobicContact CB-CB 3.91Å; K376-F444 HydrophobicContact CB-CD1 4.03Å; K376-F444 HydrophobicContact CB-CD2 3.77Å; K376-F444 HydrophobicContact CB-CE2 4.3Å; K376-F444 HydrophobicContact CB-CG 3.64Å; K376-F444 HydrophobicContact CD-CB 4.18Å; K376-F444 HydrophobicContact CG-CB 3.97Å; K376-F444 HydrophobicContact CG-CD2 3.61Å; K376-F444 HydrophobicContact CG-CE2 4.3Å; K376-F444 HydrophobicContact CG-CG 3.87Å; C379-F444 HydrophobicContact CB-CE2 4.27Å; C379-F444 HydrophobicContact CB-CZ 3.78Å; F444-L448 HydrophobicContact CD2-CB 3.64Å; F444-L448 HydrophobicContact CD2-CD1 4.19Å; F444-L448 HydrophobicContact CE2-CB 3.85Å; F444-A449 HydrophobicContact CE2-CB 4.33Å; F444-A449 HydrophobicContact CZ-CB 4.14Å
445G93.4Very high90.8Very high3 Ų316.6 Ų16.63%0.0319%0.094CC..SBendtrans-130-162.9175.500000111.4F361 G363 G443 M447 L448 A449F361-G445 CarbonylContact O-C 3.54Å; G363-G445 VanDerWaalsContact CA-CA 3.47Å; G443-G445 PolarHBondContact O-N 3.31Å; G445-M447 VanDerWaalsContact C-N 3.25Å; G445-M447 PolarHBondContact O-N 3.47Å; G445-M447 VanDerWaalsContact O-N 3.17Å; G445-L448 PolarHBondContact O-N 3.33Å; G445-A449 WeakPolarHBondContact O-CB 3.47Å; G445-A449 PolarHBondContact O-N 2.95Å
446F94.9Very high91.3Very high1 Ų115.2 Ų15.20%0.0049%0.085CC..Hα-helixtrans-55.8-36.5-174.3-179.4-93.6000113.8I211 P215 M329 S332 F360 F361 L448 F450I211-F446 HydrophobicContact CB-CE1 4.4Å; I211-F446 HydrophobicContact CG1-CD1 4.09Å; I211-F446 HydrophobicContact CG1-CE1 4.38Å; I211-F446 HydrophobicContact CG2-CE1 4.4Å; P215-F446 HydrophobicContact CG-CZ 4.22Å; M329-F446 HydrophobicContact CE-CD2 4.15Å; M329-F446 HydrophobicContact CE-CE2 3.52Å; M329-F446 HydrophobicContact CE-CZ 4.09Å; M329-F446 HydrophobicContact SD-CD2 4.08Å; M329-F446 HydrophobicContact SD-CE2 4.01Å; S332-F446 VanDerWaalsContact OG-CA 3.28Å; S332-F446 WeakPolarHBondContact OG-CA 3.46Å; F360-F446 HydrophobicContact CD1-CB 4.15Å; F360-F446 HydrophobicContact CE1-CB 3.69Å; F360-F446 HydrophobicContact CE1-CD2 4.29Å; F360-F446 HydrophobicContact CE1-CG 4.1Å; F360-F446 HydrophobicContact CZ-CB 4.21Å; F360-F446 HydrophobicContact CZ-CD2 4.47Å; F360-F446 PolarHBondContact O-N 3.29Å; F361-F446 HydrophobicContact CD2-CD1 4.03Å; F361-F446 HydrophobicContact CE2-CD1 4.23Å; F361-F446 PolarHBondContact O-N 3.42Å; F446-L448 PolarHBondContact O-N 3.38Å; F446-F450 HydrophobicContact CD1-CB 4.38Å; F446-F450 HydrophobicContact CE1-CB 4.06Å; F446-F450 HydrophobicContact CE1-CD2 4.46Å; F446-F450 HydrophobicContact CE1-CG 4.2Å; F446-F450 HydrophobicContact CE2-CB 4.19Å; F446-F450 HydrophobicContact CE2-CD2 4.06Å; F446-F450 HydrophobicContact CE2-CG 4.4Å; F446-F450 HydrophobicContact CZ-CB 3.96Å; F446-F450 AromaticContact CZ-CD2 3.71Å; F446-F450 HydrophobicContact CZ-CD2 3.71Å; F446-F450 HydrophobicContact CZ-CE2 4.46Å; F446-F450 AromaticContact CZ-CG 3.89Å; F446-F450 HydrophobicContact CZ-CG 3.89Å; F446-F450 WeakPolarHBondContact O-CB 3.43Å; F446-F450 PolarHBondContact O-N 2.92Å
447M93.3Very high91.7Very high31 Ų3114 Ų1415%0.1538%0.078CC..Hα-helixtrans-58.5-48.9179.4-174.1-173.872.800112.6F201 F361 G445 G451F201-M447 HydrophobicContact CD1-SD 4.32Å; F201-M447 HydrophobicContact CD2-SD 4.41Å; F201-M447 HydrophobicContact CE1-SD 3.61Å; F201-M447 HydrophobicContact CE2-CE 4.33Å; F201-M447 HydrophobicContact CE2-SD 3.74Å; F201-M447 HydrophobicContact CZ-CE 3.99Å; F201-M447 HydrophobicContact CZ-SD 3.29Å; F201-M447 WeakPolarHBondContact CZ-SD 3.34Å; F361-M447 HydrophobicContact CD1-CB 4.11Å; F361-M447 HydrophobicContact CD2-CB 4.46Å; F361-M447 HydrophobicContact CE1-CB 3.75Å; F361-M447 HydrophobicContact CE1-CG 3.87Å; F361-M447 HydrophobicContact CE1-SD 3.79Å; F361-M447 HydrophobicContact CE2-CB 4.14Å; F361-M447 HydrophobicContact CG-CB 4.46Å; F361-M447 HydrophobicContact CZ-CB 3.77Å; F361-M447 HydrophobicContact CZ-CG 3.79Å; F361-M447 HydrophobicContact CZ-SD 4.21Å; F361-M447 VanDerWaalsContact O-CB 3.31Å; F361-M447 WeakPolarHBondContact O-CB 3.36Å; F361-M447 PolarHBondContact O-N 2.77Å; G445-M447 VanDerWaalsContact C-N 3.25Å; G445-M447 PolarHBondContact O-N 3.47Å; G445-M447 VanDerWaalsContact O-N 3.17Å; M447-G451 PolarHBondContact O-N 2.96Å
448L93.4Very high92.3Very high21 Ų2113.8 Ų13.811%0.118%0.076CC..Hα-helixtrans-78-45.3179.6-66.2-171.1000111.2D438 D442 G443 F444 G445 F446 F450 G451 D452D438-L448 HydrophobicContact CB-CD1 4.49Å; D442-L448 HydrophobicContact CB-CD1 4.5Å; G443-L448 VanDerWaalsContact O-CD1 3.29Å; G443-L448 WeakPolarHBondContact O-CD1 3.45Å; F444-L448 HydrophobicContact CD2-CB 3.64Å; F444-L448 HydrophobicContact CD2-CD1 4.19Å; F444-L448 HydrophobicContact CE2-CB 3.85Å; G445-L448 PolarHBondContact O-N 3.33Å; F446-L448 PolarHBondContact O-N 3.38Å; L448-F450 VanDerWaalsContact C-N 3.25Å; L448-F450 PolarHBondContact O-N 2.98Å; L448-G451 WeakPolarHBondContact O-CA 3.09Å; L448-G451 PolarHBondContact O-N 2.96Å; L448-D452 WeakPolarHBondContact O-CB 3.17Å; L448-D452 PolarHBondContact O-N 3.02Å
449A95.8Very high92.7Very high0 Ų012.7 Ų12.70%07%0.071CC..Hα-helixtrans-60.5-33.1178.900000113S328 L331 F444 G445 L453S328-A449 PolarHBondContact OG-O 3.06Å; L331-A449 HydrophobicContact CD2-CB 4.32Å; F444-A449 HydrophobicContact CE2-CB 4.33Å; F444-A449 HydrophobicContact CZ-CB 4.14Å; G445-A449 WeakPolarHBondContact O-CB 3.47Å; G445-A449 PolarHBondContact O-N 2.95Å; A449-L453 VanDerWaalsContact O-CB 3.32Å; A449-L453 WeakPolarHBondContact O-CB 3.42Å; A449-L453 WeakPolarHBondContact O-CG 3.28Å; A449-L453 PolarHBondContact O-N 3.3Å
450F96.3Very high93Very high2 Ų213.6 Ų13.61%0.0097%0.074CC..Hα-helixtrans-81-36.3173.1-170.1-89.6000111.8L214 P215 V218 A325 S328 F446 L448 V454 W455L214-F450 HydrophobicContact CB-CD1 4.03Å; L214-F450 HydrophobicContact CB-CE1 3.83Å; P215-F450 HydrophobicContact CB-CE2 4.3Å; P215-F450 HydrophobicContact CB-CZ 4.22Å; P215-F450 HydrophobicContact CG-CD2 4.47Å; P215-F450 HydrophobicContact CG-CE2 3.78Å; P215-F450 HydrophobicContact CG-CZ 3.93Å; V218-F450 HydrophobicContact CG2-CE1 3.97Å; V218-F450 HydrophobicContact CG2-CZ 4.03Å; A325-F450 HydrophobicContact CB-CE2 3.86Å; S328-F450 VanDerWaalsContact OG-CA 3.22Å; S328-F450 WeakPolarHBondContact OG-CA 3.47Å; S328-F450 PolarHBondContact OG-N 3.23Å; S328-F450 VanDerWaalsContact OG-N 3.08Å; F446-F450 HydrophobicContact CD1-CB 4.38Å; F446-F450 HydrophobicContact CE1-CB 4.06Å; F446-F450 HydrophobicContact CE1-CD2 4.46Å; F446-F450 HydrophobicContact CE1-CG 4.2Å; F446-F450 HydrophobicContact CE2-CB 4.19Å; F446-F450 HydrophobicContact CE2-CD2 4.06Å; F446-F450 HydrophobicContact CE2-CG 4.4Å; F446-F450 HydrophobicContact CZ-CB 3.96Å; F446-F450 AromaticContact CZ-CD2 3.71Å; F446-F450 HydrophobicContact CZ-CD2 3.71Å; F446-F450 HydrophobicContact CZ-CE2 4.46Å; F446-F450 AromaticContact CZ-CG 3.89Å; F446-F450 HydrophobicContact CZ-CG 3.89Å; F446-F450 WeakPolarHBondContact O-CB 3.43Å; F446-F450 PolarHBondContact O-N 2.92Å; L448-F450 VanDerWaalsContact C-N 3.25Å; L448-F450 PolarHBondContact O-N 2.98Å; F450-V454 HydrophobicContact CD1-CB 4.34Å; F450-V454 HydrophobicContact CD2-CB 4.04Å; F450-V454 HydrophobicContact CD2-CG2 3.68Å; F450-V454 HydrophobicContact CE1-CB 4.12Å; F450-V454 HydrophobicContact CE1-CG1 4.31Å; F450-V454 HydrophobicContact CE2-CB 3.8Å; F450-V454 HydrophobicContact CE2-CG1 3.83Å; F450-V454 HydrophobicContact CE2-CG2 3.72Å; F450-V454 HydrophobicContact CG-CB 4.29Å; F450-V454 HydrophobicContact CG-CG2 4.22Å; F450-V454 HydrophobicContact CZ-CB 3.83Å; F450-V454 HydrophobicContact CZ-CG1 3.67Å; F450-V454 HydrophobicContact CZ-CG2 4.28Å; F450-V454 WeakPolarHBondContact O-CA 3.49Å; F450-V454 VanDerWaalsContact O-CB 3.3Å; F450-V454 WeakPolarHBondContact O-CB 3.2Å; F450-V454 PolarHBondContact O-N 3.39Å; F450-W455 HydrophobicContact CE1-CE3 4.25Å; F450-W455 PolarHBondContact O-N 3.02Å
451G94.4Very high93.4Very high19 Ų1912.1 Ų12.120%0.1967%0.065CC..Iπ-helixtrans-55.2-57.4172.500000112.4M447 L448 W455 V456M447-G451 PolarHBondContact O-N 2.96Å; L448-G451 WeakPolarHBondContact O-CA 3.09Å; L448-G451 PolarHBondContact O-N 2.96Å; G451-W455 WeakPolarHBondContact O-CB 3.46Å; G451-W455 PolarHBondContact O-N 3.02Å; G451-V456 WeakPolarHBondContact O-CG2 3.41Å; G451-V456 PolarHBondContact O-N 3.38Å
452D94.9Very high93.9Very high20 Ų208.7 Ų8.711%0.1075%0.049CC..Iπ-helixtrans-67.5-46.6-174.2-60.7-21.6000112.8C379 E380 G384 L448 P457C379-D452 HydrophobicContact CB-CB 3.85Å; C379-D452 WeakPolarHBondContact CB-OD2 3.44Å; E380-D452 PolarHBondContact N-OD2 3.25Å; G384-D452 WeakPolarHBondContact CA-O 3.41Å; L448-D452 WeakPolarHBondContact O-CB 3.17Å; L448-D452 PolarHBondContact O-N 3.02Å; D452-P457 WeakPolarHBondContact O-CD 3.49Å
453L95.7Very high94.3Very high3 Ų38.5 Ų8.52%0.0165%0.048CC..Iπ-helixtrans-91.6-16.5-170.6-55.9-177.8000113.9F257 F327 L331 C379 P383 A449 P457F257-L453 HydrophobicContact CD2-CD2 4.35Å; F257-L453 HydrophobicContact CE2-CD1 4.17Å; F257-L453 HydrophobicContact CE2-CD2 4.11Å; F327-L453 HydrophobicContact CD1-CD1 3.88Å; F327-L453 HydrophobicContact CE1-CD1 3.95Å; L331-L453 HydrophobicContact CD2-CD1 3.83Å; C379-L453 HydrophobicContact CB-CD2 4.1Å; P383-L453 HydrophobicContact CB-CD2 3.98Å; P383-L453 HydrophobicContact CG-CD2 3.37Å; A449-L453 VanDerWaalsContact O-CB 3.32Å; A449-L453 WeakPolarHBondContact O-CB 3.42Å; A449-L453 WeakPolarHBondContact O-CG 3.28Å; A449-L453 PolarHBondContact O-N 3.3Å; L453-P457 VanDerWaalsContact O-CG 3.28Å; L453-P457 WeakPolarHBondContact O-CG 3.31Å
454V96.3Very high94.5Very high2 Ų28.5 Ų8.51%0.0125%0.048CC..Iπ-helixtrans-129.8-56.4-175-161.20000111.9V218 A324 A325 F450 V456 F458V218-V454 HydrophobicContact CG1-CG1 4.36Å; A324-V454 HydrophobicContact CB-CG2 3.98Å; A325-V454 HydrophobicContact CB-CG2 4.45Å; F450-V454 HydrophobicContact CD1-CB 4.34Å; F450-V454 HydrophobicContact CD2-CB 4.04Å; F450-V454 HydrophobicContact CD2-CG2 3.68Å; F450-V454 HydrophobicContact CE1-CB 4.12Å; F450-V454 HydrophobicContact CE1-CG1 4.31Å; F450-V454 HydrophobicContact CE2-CB 3.8Å; F450-V454 HydrophobicContact CE2-CG1 3.83Å; F450-V454 HydrophobicContact CE2-CG2 3.72Å; F450-V454 HydrophobicContact CG-CB 4.29Å; F450-V454 HydrophobicContact CG-CG2 4.22Å; F450-V454 HydrophobicContact CZ-CB 3.83Å; F450-V454 HydrophobicContact CZ-CG1 3.67Å; F450-V454 HydrophobicContact CZ-CG2 4.28Å; F450-V454 WeakPolarHBondContact O-CA 3.49Å; F450-V454 VanDerWaalsContact O-CB 3.3Å; F450-V454 WeakPolarHBondContact O-CB 3.2Å; F450-V454 PolarHBondContact O-N 3.39Å; V454-V456 PolarHBondContact O-N 2.83Å; V454-F458 HydrophobicContact CG1-CD2 4.02Å; V454-F458 WeakPolarHBondContact O-CB 3.45Å; V454-F458 VanDerWaalsContact O-CD2 3.3Å; V454-F458 WeakPolarHBondContact O-CD2 3.27Å; V454-F458 PolarHBondContact O-N 3.05Å; V454-F458 VanDerWaalsContact O-N 3.1Å
455W95.5Very high94.5Very high12 Ų128.8 Ų8.85%0.0455%0.049CC..Iπ-helixtrans-64.9-48.1-172.6-167.1-82.1000112L214 T217 V218 F450 G451 V459 Y460 F563 Y567L214-W455 HydrophobicContact CD2-CE3 3.9Å; L214-W455 HydrophobicContact CD2-CH2 4.23Å; L214-W455 HydrophobicContact CD2-CZ3 3.56Å; T217-W455 HydrophobicContact CG2-CH2 3.81Å; T217-W455 HydrophobicContact CG2-CZ3 4.14Å; V218-W455 HydrophobicContact CG2-CD2 4.47Å; V218-W455 HydrophobicContact CG2-CE3 3.62Å; V218-W455 HydrophobicContact CG2-CZ3 3.92Å; F450-W455 HydrophobicContact CE1-CE3 4.25Å; F450-W455 PolarHBondContact O-N 3.02Å; G451-W455 WeakPolarHBondContact O-CB 3.46Å; G451-W455 PolarHBondContact O-N 3.02Å; W455-V459 HydrophobicContact CD2-CB 4.49Å; W455-V459 HydrophobicContact CD2-CG2 3.89Å; W455-V459 HydrophobicContact CE3-CG2 4.23Å; W455-V459 HydrophobicContact CG-CB 4.49Å; W455-V459 HydrophobicContact CG-CG2 4.14Å; W455-V459 HydrophobicContact CZ2-CG1 4.32Å; W455-V459 WeakPolarHBondContact O-CA 3.22Å; W455-V459 WeakPolarHBondContact O-CB 3.32Å; W455-V459 WeakPolarHBondContact O-CG2 3.28Å; W455-V459 PolarHBondContact O-N 3.39Å; W455-Y460 AromaticContact CD1-CE1 3.73Å; W455-F563 HydrophobicContact CH2-CE1 4.3Å; W455-F563 HydrophobicContact CH2-CZ 4.25Å; W455-F563 AromaticContact CZ2-CE1 3.99Å; W455-F563 HydrophobicContact CZ2-CE1 3.99Å; W455-F563 HydrophobicContact CZ2-CZ 4.27Å; W455-Y567 AromaticContact CD1-CZ 3.89Å; W455-Y567 AromaticContact CE2-CE2 3.66Å; W455-Y567 AromaticContact CE2-CZ 3.64Å; W455-Y567 HydrophobicContact CH2-CD2 4.43Å; W455-Y567 HydrophobicContact CH2-CE2 4.43Å; W455-Y567 HydrophobicContact CZ2-CD1 4.37Å; W455-Y567 AromaticContact CZ2-CD2 3.51Å; W455-Y567 HydrophobicContact CZ2-CD2 3.51Å; W455-Y567 HydrophobicContact CZ2-CE1 4.37Å; W455-Y567 AromaticContact CZ2-CE2 3.48Å; W455-Y567 HydrophobicContact CZ2-CE2 3.48Å; W455-Y567 VanDerWaalsContact CZ2-CE2 3.48Å; W455-Y567 AromaticContact CZ2-CG 3.97Å; W455-Y567 HydrophobicContact CZ2-CG 3.97Å; W455-Y567 AromaticContact CZ2-CZ 3.95Å; W455-Y567 AromaticContact NE1-CD1 3.8Å; W455-Y567 AromaticContact NE1-CE1 3.2Å; W455-Y567 AromaticContact NE1-CE2 3.64Å; W455-Y567 AromaticContact NE1-CZ 3.1Å; W455-Y567 PolarHBondContact NE1-OH 3.48Å
456V94.4Very high94.4Very high21 Ų218.7 Ų8.713%0.1275%0.048CC..Hα-helixtrans-58.6-63.1175.6169.90000111.4L385 W388 G451 V454 F458 Y460L385-V456 HydrophobicContact CD2-CG1 3.86Å; W388-V456 HydrophobicContact CE3-CG1 4.43Å; G451-V456 WeakPolarHBondContact O-CG2 3.41Å; G451-V456 PolarHBondContact O-N 3.38Å; V454-V456 PolarHBondContact O-N 2.83Å; V456-F458 PolarHBondContact O-N 2.71Å; V456-Y460 HydrophobicContact CG1-CD2 4.4Å; V456-Y460 HydrophobicContact CG2-CE1 4.37Å; V456-Y460 HydrophobicContact CG2-CE2 4.34Å; V456-Y460 WeakPolarHBondContact O-CB 3.43Å; V456-Y460 PolarHBondContact O-N 2.77Å; V456-Y460 VanDerWaalsContact O-N 3.1Å
457P94.6Very high94.3Very high6 Ų68.6 Ų8.64%0.0395%0.048CC..Hα-helixtrans-64.3-32.3-172.921.4-32.4000115.3I391 D452 L453 S461I391-P457 HydrophobicContact CD1-CB 3.68Å; I391-P457 WeakPolarHBondContact CD1-O 3.45Å; D452-P457 WeakPolarHBondContact O-CD 3.49Å; L453-P457 VanDerWaalsContact O-CG 3.28Å; L453-P457 WeakPolarHBondContact O-CG 3.31Å; P457-S461 PolarHBondContact O-OG 3Å; P457-S461 VanDerWaalsContact O-OG 3.11Å
458F94.6Very high94.2Very high9 Ų97.1 Ų7.14%0.0394%0.04CC..Hα-helixtrans-102-24.2-174.5-60.7-82.5000114.8V218 L222 F317 F320 A321 A324 I391 V454 V456 S461V218-F458 HydrophobicContact CG1-CB 4.22Å; L222-F458 HydrophobicContact CD1-CB 4.41Å; F317-F458 HydrophobicContact CD2-CD1 4Å; F317-F458 AromaticContact CD2-CE1 3.93Å; F317-F458 HydrophobicContact CD2-CE1 3.93Å; F317-F458 HydrophobicContact CE1-CD1 4.21Å; F317-F458 AromaticContact CE2-CD1 3.36Å; F317-F458 HydrophobicContact CE2-CD1 3.36Å; F317-F458 AromaticContact CE2-CE1 3.58Å; F317-F458 HydrophobicContact CE2-CE1 3.58Å; F317-F458 HydrophobicContact CZ-CB 4.45Å; F317-F458 AromaticContact CZ-CD1 3.49Å; F317-F458 HydrophobicContact CZ-CD1 3.49Å; F317-F458 VanDerWaalsContact CZ-CD1 3.49Å; F317-F458 HydrophobicContact CZ-CE1 4.19Å; F317-F458 HydrophobicContact CZ-CG 4.39Å; F320-F458 VanDerWaalsContact C-CZ 3.46Å; F320-F458 HydrophobicContact CB-CE1 3.8Å; F320-F458 HydrophobicContact CB-CZ 3.86Å; A321-F458 HydrophobicContact CB-CB 4.46Å; A321-F458 HydrophobicContact CB-CD1 3.67Å; A321-F458 HydrophobicContact CB-CD2 4.1Å; A321-F458 HydrophobicContact CB-CE1 3.91Å; A321-F458 HydrophobicContact CB-CE2 4.33Å; A321-F458 HydrophobicContact CB-CG 3.81Å; A321-F458 HydrophobicContact CB-CZ 4.25Å; A324-F458 HydrophobicContact CB-CE2 3.75Å; A324-F458 HydrophobicContact CB-CZ 4.35Å; I391-F458 HydrophobicContact CD1-CE1 4.33Å; V454-F458 HydrophobicContact CG1-CD2 4.02Å; V454-F458 WeakPolarHBondContact O-CB 3.45Å; V454-F458 VanDerWaalsContact O-CD2 3.3Å; V454-F458 WeakPolarHBondContact O-CD2 3.27Å; V454-F458 PolarHBondContact O-N 3.05Å; V454-F458 VanDerWaalsContact O-N 3.1Å; V456-F458 PolarHBondContact O-N 2.71Å; F458-S461 PolarHBondContact O-OG 3.4Å
459V93.9Very high93.9Very high2 Ų28.7 Ų8.71%0.0125%0.049CC..Hα-helixtrans-95.4-29.2177-170.40000111.8V218 L221 W455 S461 L462 F563V218-V459 HydrophobicContact CG1-CG2 4.35Å; V218-V459 HydrophobicContact CG2-CG2 3.79Å; L221-V459 HydrophobicContact CD1-CG1 4.24Å; W455-V459 HydrophobicContact CD2-CB 4.49Å; W455-V459 HydrophobicContact CD2-CG2 3.89Å; W455-V459 HydrophobicContact CE3-CG2 4.23Å; W455-V459 HydrophobicContact CG-CB 4.49Å; W455-V459 HydrophobicContact CG-CG2 4.14Å; W455-V459 HydrophobicContact CZ2-CG1 4.32Å; W455-V459 WeakPolarHBondContact O-CA 3.22Å; W455-V459 WeakPolarHBondContact O-CB 3.32Å; W455-V459 WeakPolarHBondContact O-CG2 3.28Å; W455-V459 PolarHBondContact O-N 3.39Å; V459-S461 VanDerWaalsContact C-N 3.32Å; V459-L462 WeakPolarHBondContact O-CB 3.48Å; V459-L462 PolarHBondContact O-N 3.45Å; V459-F563 HydrophobicContact CG1-CD1 4.25Å; V459-F563 HydrophobicContact CG1-CE1 4.09Å
460Y93.9Very high93.5Very high23 Ų2310.4 Ų10.49%0.096%0.057CC..THydrogen-bonded Turntrans-82.3-15.1179.7-65.527.2000111.9W388 Q419 W455 V456 L462 Q463 Y564 Y567W388-Y460 VanDerWaalsContact CE2-CB 3.45Å; W388-Y460 HydrophobicContact CE3-CD2 4.39Å; W388-Y460 AromaticContact CH2-CD2 3.84Å; W388-Y460 HydrophobicContact CH2-CD2 3.84Å; W388-Y460 HydrophobicContact CZ2-CD2 4.01Å; W388-Y460 HydrophobicContact CZ2-CG 4.36Å; W388-Y460 HydrophobicContact CZ3-CD2 4.03Å; W388-Y460 PolarHBondContact NE1-O 2.97Å; Q419-Y460 PolarHBondContact NE2-O 3.35Å; Q419-Y460 PolarHBondContact OE1-O 3.12Å; W455-Y460 AromaticContact CD1-CE1 3.73Å; V456-Y460 HydrophobicContact CG1-CD2 4.4Å; V456-Y460 HydrophobicContact CG2-CE1 4.37Å; V456-Y460 HydrophobicContact CG2-CE2 4.34Å; V456-Y460 WeakPolarHBondContact O-CB 3.43Å; V456-Y460 PolarHBondContact O-N 2.77Å; V456-Y460 VanDerWaalsContact O-N 3.1Å; Y460-L462 VanDerWaalsContact C-N 3.33Å; Y460-Q463 PolarHBondContact O-OE1 3.01Å; Y460-Q463 VanDerWaalsContact O-OE1 3.11Å; Y460-Y564 HydrophobicContact CD1-CD2 4.03Å; Y460-Y564 AromaticContact CD1-CE2 3.57Å; Y460-Y564 HydrophobicContact CD1-CE2 3.57Å; Y460-Y564 AromaticContact CD2-CE2 3.86Å; Y460-Y564 HydrophobicContact CD2-CE2 3.86Å; Y460-Y564 HydrophobicContact CE1-CD2 4.28Å; Y460-Y564 AromaticContact CE1-CE2 3.63Å; Y460-Y564 HydrophobicContact CE1-CE2 3.63Å; Y460-Y564 AromaticContact CE2-CE2 3.91Å; Y460-Y564 HydrophobicContact CE2-CE2 3.91Å; Y460-Y564 HydrophobicContact CG-CD2 4.34Å; Y460-Y564 AromaticContact CG-CE2 3.68Å; Y460-Y564 HydrophobicContact CG-CE2 3.68Å; Y460-Y564 AromaticContact CZ-CE2 3.79Å; Y460-Y567 HydrophobicContact CE1-CE1 4.22Å
461S94.6Very high92.8Very high0 Ų013.1 Ų13.10%07%0.074CC..THydrogen-bonded Turntrans-86.91.4169.467.70000113.4F317 N392 P457 F458 V459 Q463 A464 F465F317-S461 WeakPolarHBondContact CZ-OG 3.49Å; N392-S461 WeakPolarHBondContact OD1-CA 3.38Å; N392-S461 VanDerWaalsContact OD1-CB 3.28Å; N392-S461 WeakPolarHBondContact OD1-CB 3.28Å; P457-S461 PolarHBondContact O-OG 3Å; P457-S461 VanDerWaalsContact O-OG 3.11Å; F458-S461 PolarHBondContact O-OG 3.4Å; V459-S461 VanDerWaalsContact C-N 3.32Å; S461-Q463 PolarHBondContact O-N 3.37Å; S461-A464 PolarHBondContact O-N 2.85Å; S461-F465 PolarHBondContact O-N 3.42Å
462L92.8Very high92.4Very high1 Ų113.4 Ų13.41%0.0057%0.073CC..Hα-helixtrans-59.9-34.3-171.3-169.871.8000112.2L221 C225 V459 Y460 Y466 L560L221-L462 HydrophobicContact CB-CD1 4.31Å; L221-L462 HydrophobicContact CD2-CD2 4.47Å; C225-L462 HydrophobicContact CB-CD1 4.3Å; C225-L462 WeakPolarHBondContact SG-CD1 3.39Å; V459-L462 WeakPolarHBondContact O-CB 3.48Å; V459-L462 PolarHBondContact O-N 3.45Å; Y460-L462 VanDerWaalsContact C-N 3.33Å; L462-Y466 VanDerWaalsContact O-CB 3.22Å; L462-Y466 WeakPolarHBondContact O-CB 3.21Å; L462-Y466 PolarHBondContact O-N 3.41Å; L462-L560 HydrophobicContact CD2-CD1 4.12Å; L462-L560 HydrophobicContact CD2-CG 4.28Å
463Q94.3Very high91.9Very high0 Ų017.5 Ų17.50%011%0.109CC..Hα-helixtrans-63.9-43.6174.1-62.987.8-8.300112.2V415 Y460 S461 L467 S551 P561 Y564V415-Q463 HydrophobicContact CG1-CB 3.86Å; V415-Q463 HydrophobicContact CG2-CB 4.28Å; Y460-Q463 PolarHBondContact O-OE1 3.01Å; Y460-Q463 VanDerWaalsContact O-OE1 3.11Å; S461-Q463 PolarHBondContact O-N 3.37Å; Q463-L467 WeakPolarHBondContact O-CG 3.41Å; Q463-L467 PolarHBondContact O-N 3.22Å; Q463-L467 VanDerWaalsContact O-N 3.11Å; Q463-S551 PolarHBondContact NE2-OG 3.46Å; Q463-P561 HydrophobicContact CG-CB 4.3Å; Q463-P561 PolarHBondContact NE2-O 3.35Å; Q463-Y564 VanDerWaalsContact NE2-CB 3.27Å
464A94.6Very high91.7Very high0 Ų019 Ų190%012%0.116CC..Hα-helixtrans-67.6-46.717700000110.8M395 M412 V415 S461 Y466 L467 V468M395-A464 HydrophobicContact CB-CB 3.9Å; M395-A464 HydrophobicContact CG-CB 4.08Å; M412-A464 WeakPolarHBondContact CE-O 3.45Å; M412-A464 HydrophobicContact SD-CB 4.05Å; V415-A464 HydrophobicContact CG1-CB 4.32Å; S461-A464 PolarHBondContact O-N 2.85Å; A464-Y466 PolarHBondContact O-N 3.07Å; A464-L467 PolarHBondContact O-N 2.95Å; A464-V468 WeakPolarHBondContact O-CG2 3.18Å; A464-V468 PolarHBondContact O-N 3.47Å
465F93.4Very high91.5Very high8 Ų822.3 Ų22.34%0.03514%0.14CC..Hα-helixtrans-61.6-39.7178.3-176.9-127.7000112.7L222 C225 Y314 F317 M395 S461L222-F465 HydrophobicContact CD2-CD1 3.97Å; L222-F465 HydrophobicContact CD2-CE1 3.97Å; C225-F465 HydrophobicContact CB-CD1 3.45Å; C225-F465 VanDerWaalsContact CB-CD1 3.45Å; C225-F465 HydrophobicContact CB-CE1 3.46Å; C225-F465 VanDerWaalsContact CB-CE1 3.46Å; Y314-F465 HydrophobicContact CD2-CD2 4.06Å; Y314-F465 AromaticContact CD2-CE2 3.96Å; Y314-F465 HydrophobicContact CD2-CE2 3.96Å; Y314-F465 AromaticContact CE2-CD2 3.74Å; Y314-F465 HydrophobicContact CE2-CD2 3.74Å; Y314-F465 AromaticContact CE2-CE2 3.51Å; Y314-F465 HydrophobicContact CE2-CE2 3.51Å; F317-F465 HydrophobicContact CB-CE2 4.5Å; F317-F465 HydrophobicContact CD1-CD1 4.12Å; F317-F465 AromaticContact CD1-CD2 3.78Å; F317-F465 HydrophobicContact CD1-CD2 3.78Å; F317-F465 HydrophobicContact CD1-CE1 4.08Å; F317-F465 AromaticContact CD1-CE2 3.74Å; F317-F465 HydrophobicContact CD1-CE2 3.74Å; F317-F465 AromaticContact CD1-CG 3.98Å; F317-F465 HydrophobicContact CD1-CG 3.98Å; F317-F465 AromaticContact CD1-CZ 3.9Å; F317-F465 HydrophobicContact CD1-CZ 3.9Å; F317-F465 HydrophobicContact CE1-CB 4.25Å; F317-F465 HydrophobicContact CE1-CD1 4.02Å; F317-F465 HydrophobicContact CE1-CD2 4.1Å; F317-F465 HydrophobicContact CE1-CE1 4.4Å; F317-F465 HydrophobicContact CE1-CE2 4.46Å; F317-F465 AromaticContact CE1-CG 3.87Å; F317-F465 HydrophobicContact CE1-CG 3.87Å; F317-F465 HydrophobicContact CG-CE2 4.48Å; M395-F465 HydrophobicContact CE-CB 4.16Å; M395-F465 HydrophobicContact CE-CD2 3.69Å; M395-F465 HydrophobicContact CE-CE2 4.48Å; M395-F465 HydrophobicContact CE-CG 4.23Å; M395-F465 HydrophobicContact SD-CB 4.14Å; M395-F465 HydrophobicContact SD-CD2 3.7Å; M395-F465 HydrophobicContact SD-CG 4.39Å; S461-F465 PolarHBondContact O-N 3.42Å
466Y91.8Very high91.4Very high1 Ų131 Ų310%0.00417%0.173CC..Hα-helixtrans-60-48.5171.7169-91.9000112.1P230 L462 A464 V468 N469 H470 C554 H558 P561P230-Y466 HydrophobicContact CG-CD2 4.37Å; P230-Y466 HydrophobicContact CG-CE2 3.95Å; L462-Y466 VanDerWaalsContact O-CB 3.22Å; L462-Y466 WeakPolarHBondContact O-CB 3.21Å; L462-Y466 PolarHBondContact O-N 3.41Å; A464-Y466 PolarHBondContact O-N 3.07Å; Y466-V468 PolarHBondContact O-N 2.84Å; Y466-N469 PolarHBondContact O-N 2.87Å; Y466-H470 HydrophobicContact CD1-CB 4.17Å; Y466-H470 HydrophobicContact CD2-CB 4.16Å; Y466-H470 AromaticContact CD2-CD2 3.93Å; Y466-H470 HydrophobicContact CE1-CB 3.78Å; Y466-H470 HydrophobicContact CE2-CB 3.78Å; Y466-H470 AromaticContact CE2-CD2 3.95Å; Y466-H470 AromaticContact CE2-CG 3.87Å; Y466-H470 HydrophobicContact CG-CB 4.35Å; Y466-H470 WeakPolarHBondContact O-CB 3.26Å; Y466-H470 PolarHBondContact O-N 3.35Å; Y466-C554 HydrophobicContact CD1-CB 3.75Å; Y466-C554 HydrophobicContact CE1-CB 3.61Å; Y466-C554 WeakPolarHBondContact CE1-O 3.3Å; Y466-C554 PolarHBondContact OH-O 3.42Å; Y466-H558 HydrophobicContact CE2-CB 4.29Å; Y466-P561 HydrophobicContact CD1-CG 3.81Å; Y466-P561 HydrophobicContact CD2-CG 3.96Å; Y466-P561 HydrophobicContact CE1-CG 3.98Å; Y466-P561 HydrophobicContact CE2-CG 4.1Å; Y466-P561 HydrophobicContact CG-CG 3.8Å
467L91.8Very high91.4Very high0 Ų034.6 Ų34.60%020%0.197CC..Hα-helixtrans-62.6-25.2-176.5-78.5170.6000113.7M412 V415 Q463 A464 N469 H470M412-L467 HydrophobicContact CE-CB 3.75Å; V415-L467 HydrophobicContact CG2-CD1 3.83Å; Q463-L467 WeakPolarHBondContact O-CG 3.41Å; Q463-L467 PolarHBondContact O-N 3.22Å; Q463-L467 VanDerWaalsContact O-N 3.11Å; A464-L467 PolarHBondContact O-N 2.95Å; L467-N469 VanDerWaalsContact C-N 3.35Å; L467-N469 PolarHBondContact O-N 2.91Å; L467-H470 CarbonylContact O-C 3.5Å
468V91.1Very high91.3Very high0 Ų036.1 Ų36.10%021%0.21CC..Hα-helixtrans-59.3-44.2175.2-179.30000111.7Y314 M395 A398 E399 I402 H403 M412 A464 Y466Y314-V468 HydrophobicContact CD2-CG1 4.25Å; Y314-V468 HydrophobicContact CE1-CG1 4.35Å; Y314-V468 HydrophobicContact CE2-CB 3.99Å; Y314-V468 HydrophobicContact CE2-CG1 3.61Å; Y314-V468 HydrophobicContact CE2-CG2 4.26Å; M395-V468 HydrophobicContact CB-CG2 3.91Å; M395-V468 WeakPolarHBondContact O-CG2 3.46Å; M395-V468 HydrophobicContact SD-CG2 4.19Å; A398-V468 HydrophobicContact CB-CG1 4.19Å; E399-V468 HydrophobicContact CB-CG2 4.44Å; I402-V468 HydrophobicContact CD1-CG1 3.55Å; H403-V468 PolarHBondContact NE2-O 3.07Å; M412-V468 HydrophobicContact CE-CG2 3.85Å; A464-V468 WeakPolarHBondContact O-CG2 3.18Å; A464-V468 PolarHBondContact O-N 3.47Å; Y466-V468 PolarHBondContact O-N 2.84Å
469N87.6Confident91.3Very high54 Ų5435.9 Ų35.929%0.28921%0.21SC..Hα-helixtrans-92.4-28.4179.5-63.8-45000112.6C225 Y314 Y466 L467 P471C225-N469 PolarHBondContact O-ND2 3.13Å; Y314-N469 PolarHBondContact OH-ND2 3.11Å; Y314-N469 PolarHBondContact OH-OD1 3.45Å; Y466-N469 PolarHBondContact O-N 2.87Å; L467-N469 VanDerWaalsContact C-N 3.35Å; L467-N469 PolarHBondContact O-N 2.91Å; N469-P471 WeakPolarHBondContact O-CD 3.34Å
470H86.4Confident91.4Very high35 Ų3538.8 Ų38.816%0.16223%0.23CC..SBendtrans-117.664.8-173.7-63.6-73000111.8Q227 D228 Y466 L467 T472Q227-H470 PolarHBondContact O-NE2 3.45Å; D228-H470 PolarHBondContact O-CE1 3.19Å; Y466-H470 HydrophobicContact CD1-CB 4.17Å; Y466-H470 HydrophobicContact CD2-CB 4.16Å; Y466-H470 AromaticContact CD2-CD2 3.93Å; Y466-H470 HydrophobicContact CE1-CB 3.78Å; Y466-H470 HydrophobicContact CE2-CB 3.78Å; Y466-H470 AromaticContact CE2-CD2 3.95Å; Y466-H470 AromaticContact CE2-CG 3.87Å; Y466-H470 HydrophobicContact CG-CB 4.35Å; Y466-H470 WeakPolarHBondContact O-CB 3.26Å; Y466-H470 PolarHBondContact O-N 3.35Å; L467-H470 CarbonylContact O-C 3.5Å; H470-T472 PolarHBondContact O-N 2.99Å; H470-T472 PolarHBondContact O-OG1 3.13Å
471P83Confident91.5Very high59 Ų5940.4 Ų40.438%0.38325%0.248SC..  trans-65103.5-173.828.3-37000111.1N469N469-P471 WeakPolarHBondContact O-CD 3.34Å
472T84.8Confident91.6Very high26 Ų2641.2 Ų41.216%0.1625%0.252CS..  trans-89.4121.1-177.1-61.50000110.2S411 H470 C554S411-T472 PolarHBondContact OG-O 3.49Å; H470-T472 PolarHBondContact O-N 2.99Å; H470-T472 PolarHBondContact O-OG1 3.13Å; T472-C554 PolarHBondContact OG1-O 3.47Å
473A85.7Confident91.8Very high105 Ų10543.5 Ų43.587%0.86827%0.267SS*.  trans-82.1118.5176.400000111.8
474I90.3Very high92Very high34 Ų3448.5 Ų48.517%0.17429%0.292CS..  trans-106.3137.8178.1-56.8168.9000109.9S411 L414 A478 A479 I482 P553S411-I474 WeakPolarHBondContact OG-CD1 3.4Å; S411-I474 VanDerWaalsContact OG-CG1 3.27Å; S411-I474 WeakPolarHBondContact OG-CG1 3.24Å; L414-I474 HydrophobicContact CD1-CD1 4.37Å; I474-A478 HydrophobicContact CG2-CB 3.68Å; I474-A479 HydrophobicContact CG2-CB 4.04Å; I474-I482 HydrophobicContact CD1-CD1 4.49Å; I474-P553 HydrophobicContact CD1-CB 3.78Å
475S92.6Very high92.1Very high73 Ų7351 Ų5151%0.5131%0.305SS..  trans-77.6146.2172.366.10000111.8P477 A478 A479S475-P477 VanDerWaalsContact C-CD 3.42Å; S475-P477 VanDerWaalsContact C-N 3.31Å; S475-P477 VanDerWaalsContact O-N 3.14Å; S475-A478 PolarHBondContact O-N 3.29Å; S475-A479 PolarHBondContact O-N 3.06Å
476W92.9Very high92.3Very high193 Ų19350.8 Ų50.873%0.73131%0.305SS*.Hα-helixtrans-49.3-39.5179.5-71.2103000115.1L410 A479 S480L410-W476 HydrophobicContact CD1-CH2 4.17Å; L410-W476 HydrophobicContact CD1-CZ3 4.04Å; L410-W476 HydrophobicContact CD2-CD2 4.24Å; L410-W476 HydrophobicContact CD2-CE3 4.15Å; L410-W476 HydrophobicContact CD2-CH2 4.48Å; L410-W476 HydrophobicContact CD2-CZ3 4.27Å; W476-A479 PolarHBondContact O-N 3.17Å; W476-S480 WeakPolarHBondContact O-CB 3.34Å; W476-S480 PolarHBondContact O-N 3.12Å; W476-S480 PolarHBondContact O-OG 2.76Å
477P94.6Very high92.5Very high97 Ų9754.2 Ų54.263%0.6333%0.328SS*.Hα-helixtrans-63-39.9173.9-2435.6000113.8S475 S480 A481S475-P477 VanDerWaalsContact C-CD 3.42Å; S475-P477 VanDerWaalsContact C-N 3.31Å; S475-P477 VanDerWaalsContact O-N 3.14Å; P477-S480 WeakPolarHBondContact O-CB 3.36Å; P477-S480 PolarHBondContact O-N 2.92Å; P477-A481 PolarHBondContact O-N 3.34Å
478A93.9Very high92.7Very high39 Ų3958.1 Ų58.132%0.32235%0.348SS..Hα-helixtrans-70-42.8177.200000111.5I474 S475 S480 A481 I482I474-A478 HydrophobicContact CG2-CB 3.68Å; S475-A478 PolarHBondContact O-N 3.29Å; A478-S480 PolarHBondContact O-N 3.29Å; A478-A481 PolarHBondContact O-N 2.85Å; A478-I482 VanDerWaalsContact O-CG1 3.27Å; A478-I482 WeakPolarHBondContact O-CG1 3.34Å; A478-I482 PolarHBondContact O-N 3.25Å
479A94.4Very high93Very high4 Ų458.1 Ų58.13%0.03335%0.348CS..Hα-helixtrans-57.3-39.6172.200000111.9L410 L414 I474 S475 W476 T483L410-A479 HydrophobicContact CD2-CB 3.71Å; L410-A479 HydrophobicContact CG-CB 4.21Å; L414-A479 HydrophobicContact CD1-CB 3.89Å; I474-A479 HydrophobicContact CG2-CB 4.04Å; S475-A479 PolarHBondContact O-N 3.06Å; W476-A479 PolarHBondContact O-N 3.17Å; A479-T483 WeakPolarHBondContact O-CB 3.23Å; A479-T483 PolarHBondContact O-N 2.91Å; A479-T483 PolarHBondContact O-OG1 3.02Å
480S95.6Very high93.4Very high63 Ų6358.7 Ų58.744%0.44135%0.347SS..Hα-helixtrans-66.9-44.5176.8-56.90000111.5W476 P477 A478 T483 I484W476-S480 WeakPolarHBondContact O-CB 3.34Å; W476-S480 PolarHBondContact O-N 3.12Å; W476-S480 PolarHBondContact O-OG 2.76Å; P477-S480 WeakPolarHBondContact O-CB 3.36Å; P477-S480 PolarHBondContact O-N 2.92Å; A478-S480 PolarHBondContact O-N 3.29Å; S480-T483 PolarHBondContact O-N 3.13Å; S480-I484 VanDerWaalsContact O-CG1 3.28Å; S480-I484 WeakPolarHBondContact O-CG1 3.37Å; S480-I484 PolarHBondContact O-N 3.29Å
481A96.4Very high93.8Very high57 Ų5764.3 Ų64.347%0.47137%0.367SS..Hα-helixtrans-63.1-42.5176.700000112.7P477 A478 I484 L485P477-A481 PolarHBondContact O-N 3.34Å; A478-A481 PolarHBondContact O-N 2.85Å; A481-I484 PolarHBondContact O-N 3.43Å; A481-L485 PolarHBondContact O-N 2.99Å
482I96.6Very high94.4Very high16 Ų1662.3 Ų62.38%0.08235%0.353CS..Hα-helixtrans-64.1-41.4175.2-62.8164.5000110.6F418 I474 A478 L485 N486 A549 L552 P553F418-I482 HydrophobicContact CE2-CG2 3.8Å; F418-I482 HydrophobicContact CZ-CG2 4.26Å; I474-I482 HydrophobicContact CD1-CD1 4.49Å; A478-I482 VanDerWaalsContact O-CG1 3.27Å; A478-I482 WeakPolarHBondContact O-CG1 3.34Å; A478-I482 PolarHBondContact O-N 3.25Å; I482-L485 WeakPolarHBondContact O-CB 3.37Å; I482-L485 PolarHBondContact O-N 3.47Å; I482-N486 PolarHBondContact O-N 3.43Å; I482-A549 HydrophobicContact CG2-CB 4.26Å; I482-A549 WeakPolarHBondContact CG2-O 3.35Å; I482-L552 HydrophobicContact CD1-CB 3.86Å; I482-L552 HydrophobicContact CG1-CB 3.93Å; I482-L552 HydrophobicContact CG1-CD1 4.18Å; I482-L552 HydrophobicContact CG2-CB 4.35Å; I482-P553 HydrophobicContact CD1-CG 4.46Å; I482-P553 HydrophobicContact CG2-CG 4.2Å
483T96.7Very high94.9Very high50 Ų5062.1 Ų62.131%0.30735%0.35SS..Hα-helixtrans-62.8-43.6176.5-57.60000111.7F418 A479 S480 L485 N486 C487F418-T483 HydrophobicContact CE1-CG2 4.34Å; A479-T483 WeakPolarHBondContact O-CB 3.23Å; A479-T483 PolarHBondContact O-N 2.91Å; A479-T483 PolarHBondContact O-OG1 3.02Å; S480-T483 PolarHBondContact O-N 3.13Å; T483-L485 VanDerWaalsContact C-N 3.33Å; T483-L485 PolarHBondContact O-N 3.29Å; T483-N486 PolarHBondContact O-N 2.9Å; T483-C487 WeakPolarHBondContact O-CB 3.45Å; T483-C487 PolarHBondContact O-N 2.9Å; T483-C487 PolarHBondContact O-SG 2.94Å
484I97.3Very high95.2Very high105 Ų10559 Ų5954%0.53832%0.316SS..Hα-helixtrans-60.4-43.1174.2-70163.5000110.7S480 A481 C487 I488S480-I484 VanDerWaalsContact O-CG1 3.28Å; S480-I484 WeakPolarHBondContact O-CG1 3.37Å; S480-I484 PolarHBondContact O-N 3.29Å; A481-I484 PolarHBondContact O-N 3.43Å; I484-C487 PolarHBondContact O-N 3.35Å; I484-I488 HydrophobicContact CG2-CD1 3.81Å; I484-I488 HydrophobicContact CG2-CG1 4.49Å; I484-I488 VanDerWaalsContact O-CG1 3.3Å; I484-I488 WeakPolarHBondContact O-CG1 3.18Å; I484-I488 PolarHBondContact O-N 3.4Å
485L97.3Very high95.2Very high51 Ų5158.7 Ų58.727%0.26732%0.317SS..Hα-helixtrans-61.1-47.1177-173.567.6000112A481 I482 T483 C487 I488 G489 I545 L548 A549 L552A481-L485 PolarHBondContact O-N 2.99Å; I482-L485 WeakPolarHBondContact O-CB 3.37Å; I482-L485 PolarHBondContact O-N 3.47Å; T483-L485 VanDerWaalsContact C-N 3.33Å; T483-L485 PolarHBondContact O-N 3.29Å; L485-C487 PolarHBondContact O-N 3.48Å; L485-I488 PolarHBondContact O-N 3.1Å; L485-G489 PolarHBondContact O-N 3.46Å; L485-I545 HydrophobicContact CD1-CG2 3.75Å; L485-I545 HydrophobicContact CG-CG2 3.95Å; L485-I545 WeakPolarHBondContact O-CG2 3.33Å; L485-L548 HydrophobicContact CD2-CD2 4.33Å; L485-L548 HydrophobicContact CD2-CG 4.38Å; L485-A549 HydrophobicContact CB-CB 4.31Å; L485-A549 HydrophobicContact CD2-CB 4.09Å; L485-A549 HydrophobicContact CG-CB 4.17Å; L485-L552 HydrophobicContact CD2-CD1 3.67Å
486N96.7Very high95.2Very high5 Ų555.2 Ų55.23%0.02729%0.293CS..Hα-helixtrans-61-43.8176.1-172.667.8000111.5F418 I482 T483 I488 G489 Y490 A549 W550F418-N486 HydrophobicContact CD1-CB 4.09Å; F418-N486 VanDerWaalsContact CD1-ND2 3.27Å; F418-N486 WeakPolarHBondContact CD1-ND2 3.39Å; F418-N486 HydrophobicContact CD2-CB 4.33Å; F418-N486 HydrophobicContact CE1-CB 4.01Å; F418-N486 HydrophobicContact CE2-CB 4.26Å; F418-N486 HydrophobicContact CG-CB 4.25Å; F418-N486 HydrophobicContact CZ-CB 4.09Å; I482-N486 PolarHBondContact O-N 3.43Å; T483-N486 PolarHBondContact O-N 2.9Å; N486-I488 VanDerWaalsContact C-N 3.33Å; N486-I488 PolarHBondContact O-N 3.47Å; N486-G489 PolarHBondContact O-N 3.36Å; N486-Y490 VanDerWaalsContact O-CB 3.28Å; N486-Y490 WeakPolarHBondContact O-CB 3.24Å; N486-Y490 PolarHBondContact O-N 2.97Å; N486-A549 HydrophobicContact CB-CB 3.72Å; N486-W550 PolarHBondContact OD1-NE1 3.35Å
487C96.9Very high95Very high72 Ų7246.9 Ų46.949%0.48626%0.263SS..Hα-helixtrans-62-36.9176.4-73.60000113T483 I484 L485 Y491T483-C487 WeakPolarHBondContact O-CB 3.45Å; T483-C487 PolarHBondContact O-N 2.9Å; T483-C487 PolarHBondContact O-SG 2.94Å; I484-C487 PolarHBondContact O-N 3.35Å; L485-C487 PolarHBondContact O-N 3.48Å; C487-Y491 VanDerWaalsContact O-CB 3.24Å; C487-Y491 WeakPolarHBondContact O-CB 3.49Å; C487-Y491 PolarHBondContact O-N 2.83Å
488I97Very high94.7Very high83 Ų8344 Ų4443%0.42625%0.245SC..Hα-helixtrans-66.1-48.7174.1-70.9165000110.6I484 L485 N486 Y490 Y491 I492I484-I488 HydrophobicContact CG2-CD1 3.81Å; I484-I488 HydrophobicContact CG2-CG1 4.49Å; I484-I488 VanDerWaalsContact O-CG1 3.3Å; I484-I488 WeakPolarHBondContact O-CG1 3.18Å; I484-I488 PolarHBondContact O-N 3.4Å; L485-I488 PolarHBondContact O-N 3.1Å; N486-I488 VanDerWaalsContact C-N 3.33Å; N486-I488 PolarHBondContact O-N 3.47Å; I488-Y490 PolarHBondContact O-N 2.67Å; I488-Y491 PolarHBondContact O-N 3.37Å; I488-I492 HydrophobicContact CG2-CD1 3.85Å; I488-I492 VanDerWaalsContact O-CG1 3.3Å; I488-I492 WeakPolarHBondContact O-CG1 3.27Å; I488-I492 PolarHBondContact O-N 3.46Å
489G96.3Very high94.3Very high0 Ų043 Ų430%023%0.233CC..Hα-helixtrans-58.9-47.5177.500000112.3L485 N486 I492 F493 G542L485-G489 PolarHBondContact O-N 3.46Å; N486-G489 PolarHBondContact O-N 3.36Å; G489-I492 PolarHBondContact O-N 3Å; G489-F493 WeakPolarHBondContact O-CB 3.33Å; G489-F493 PolarHBondContact O-N 2.98Å; G489-G542 VanDerWaalsContact O-CA 3.3Å; G489-G542 WeakPolarHBondContact O-CA 3.26Å
490Y96.1Very high93.9Very high66 Ų6644.7 Ų44.726%0.25924%0.24SC..Hα-helixtrans-60.3-45.5175.7-179.4-106.8000112.5L421 D425 N486 I488 I492 F493 R494 M546L421-Y490 HydrophobicContact CD2-CD1 4.47Å; L421-Y490 HydrophobicContact CD2-CD2 3.62Å; L421-Y490 HydrophobicContact CD2-CE1 4.41Å; L421-Y490 HydrophobicContact CD2-CE2 3.55Å; L421-Y490 HydrophobicContact CD2-CG 4.1Å; D425-Y490 HydrophobicContact CB-CE2 4.01Å; D425-Y490 PolarHBondContact OD1-OH 2.86Å; D425-Y490 WeakPolarHBondContact OD2-CE2 3.29Å; N486-Y490 VanDerWaalsContact O-CB 3.28Å; N486-Y490 WeakPolarHBondContact O-CB 3.24Å; N486-Y490 PolarHBondContact O-N 2.97Å; I488-Y490 PolarHBondContact O-N 2.67Å; Y490-I492 PolarHBondContact O-N 3.01Å; Y490-F493 PolarHBondContact O-N 3.31Å; Y490-R494 HydrophobicContact CE1-CB 4.45Å; Y490-R494 HydrophobicContact CE1-CG 4.49Å; Y490-R494 HydrophobicContact CE2-CB 4.27Å; Y490-R494 WeakPolarHBondContact O-CB 3.37Å; Y490-R494 PolarHBondContact O-N 2.91Å; Y490-M546 VanDerWaalsContact CA-SD 3.57Å; Y490-M546 HydrophobicContact CD2-SD 4.05Å; Y490-M546 HydrophobicContact CG-SD 4.46Å
491Y95.9Very high93.2Very high152 Ų15243 Ų4360%0.59623%0.226SC*.Hα-helixtrans-60-45.7177.1175-107.3000111.8C487 I488 S495 W531C487-Y491 VanDerWaalsContact O-CB 3.24Å; C487-Y491 WeakPolarHBondContact O-CB 3.49Å; C487-Y491 PolarHBondContact O-N 2.83Å; I488-Y491 PolarHBondContact O-N 3.37Å; Y491-S495 WeakPolarHBondContact O-CB 3.3Å; Y491-S495 PolarHBondContact O-N 2.92Å; Y491-S495 PolarHBondContact O-OG 3.49Å; Y491-W531 HydrophobicContact CD1-CZ2 4.31Å; Y491-W531 HydrophobicContact CE1-CH2 4.44Å; Y491-W531 AromaticContact CE1-CZ2 3.83Å; Y491-W531 HydrophobicContact CE1-CZ2 3.83Å
492I95.3Very high92.6Very high18 Ų1846.4 Ų46.49%0.09223%0.23CC..Hα-helixtrans-61-52.7176.7-65.9165000110I488 G489 Y490 S495 A496 W531 P538 I545I488-I492 HydrophobicContact CG2-CD1 3.85Å; I488-I492 VanDerWaalsContact O-CG1 3.3Å; I488-I492 WeakPolarHBondContact O-CG1 3.27Å; I488-I492 PolarHBondContact O-N 3.46Å; G489-I492 PolarHBondContact O-N 3Å; Y490-I492 PolarHBondContact O-N 3.01Å; I492-S495 PolarHBondContact O-OG 2.63Å; I492-A496 WeakPolarHBondContact O-CB 3.38Å; I492-A496 PolarHBondContact O-N 2.91Å; I492-W531 HydrophobicContact CG1-CH2 3.8Å; I492-W531 HydrophobicContact CG1-CZ2 4.37Å; I492-W531 HydrophobicContact CG1-CZ3 4.09Å; I492-W531 HydrophobicContact CG2-CE3 4.4Å; I492-W531 HydrophobicContact CG2-CZ3 4.34Å; I492-P538 WeakPolarHBondContact CG2-O 3.43Å; I492-I545 HydrophobicContact CD1-CD1 3.94Å
493F94.1Very high92Very high22 Ų2246.8 Ų46.810%0.09623%0.231CC..Hα-helixtrans-56.2-56.6179.7170.4-98.8000112.6Y422 G489 Y490 N497 N539 D543 M546Y422-F493 HydrophobicContact CE2-CZ 4.45Å; G489-F493 WeakPolarHBondContact O-CB 3.33Å; G489-F493 PolarHBondContact O-N 2.98Å; Y490-F493 PolarHBondContact O-N 3.31Å; F493-N497 WeakPolarHBondContact CD2-ND2 3.37Å; F493-N497 WeakPolarHBondContact CE2-ND2 3.35Å; F493-N497 WeakPolarHBondContact CZ-ND2 3.32Å; F493-N497 WeakPolarHBondContact O-CB 3.14Å; F493-N497 PolarHBondContact O-N 2.62Å; F493-N497 PolarHBondContact O-ND2 3.49Å; F493-N539 HydrophobicContact CD2-CB 4.04Å; F493-D543 VanDerWaalsContact CD2-CG 3.44Å; F493-D543 WeakPolarHBondContact CD2-OD1 3.36Å; F493-D543 WeakPolarHBondContact CD2-OD2 3.22Å; F493-D543 WeakPolarHBondContact CE2-OD1 3.45Å; F493-D543 WeakPolarHBondContact CE2-OD2 3.05Å; F493-M546 HydrophobicContact CB-CE 3.84Å; F493-M546 HydrophobicContact CD1-CE 4.07Å; F493-M546 HydrophobicContact CD2-CE 4.24Å; F493-M546 HydrophobicContact CG-CE 3.81Å
494R91.8Very high91.1Very high39 Ų3951.7 Ų51.715%0.14724%0.244CC..Hα-helixtrans-71-37.4-172.8-178.445.453.4-165.1-0.4111.6D425 N429 Y490 S498D425-R494 VanDerWaalsContact CG-NE 3.28Å; D425-R494 IonicContact OD1-CZ 2.71Å; D425-R494 IonicContact OD1-NE 3.53Å; D425-R494 PolarHBondContact OD1-NE 3.3Å; D425-R494 IonicContact OD1-NH2 3.4Å; D425-R494 PolarHBondContact OD1-NH2 2.88Å; D425-R494 IonicContact OD2-CZ 2.76Å; D425-R494 IonicContact OD2-NE 3.11Å; D425-R494 PolarHBondContact OD2-NE 3.39Å; D425-R494 IonicContact OD2-NH2 2.77Å; D425-R494 PolarHBondContact OD2-NH2 3.12Å; N429-R494 PolarHBondContact ND2-NH1 3.03Å; N429-R494 PolarHBondContact OD1-NH1 3.47Å; Y490-R494 HydrophobicContact CE1-CB 4.45Å; Y490-R494 HydrophobicContact CE1-CG 4.49Å; Y490-R494 HydrophobicContact CE2-CB 4.27Å; Y490-R494 WeakPolarHBondContact O-CB 3.37Å; Y490-R494 PolarHBondContact O-N 2.91Å; R494-S498 WeakPolarHBondContact O-CB 3.4Å; R494-S498 PolarHBondContact O-N 2.17Å; R494-S498 PolarHBondContact O-OG 2.93Å
495S91.8Very high90.1Very high28 Ų2855 Ų5520%0.19625%0.25CC..Hα-helixtrans-73.2-39.4176.869.50000112.6Y491 I492 S498 Q499 W531Y491-S495 WeakPolarHBondContact O-CB 3.3Å; Y491-S495 PolarHBondContact O-N 2.92Å; Y491-S495 PolarHBondContact O-OG 3.49Å; I492-S495 PolarHBondContact O-OG 2.63Å; S495-S498 PolarHBondContact O-N 2.94Å; S495-Q499 WeakPolarHBondContact O-CB 3.19Å; S495-Q499 PolarHBondContact O-N 3.01Å; S495-W531 PolarHBondContact OG-NE1 2.91Å
496A91.3Very high89.2Confident0 Ų056.3 Ų56.30%026%0.257CS..Hα-helixtrans-65.2-44.5175.400000112.7I492 Q499 K500 W531 W532 P538I492-A496 WeakPolarHBondContact O-CB 3.38Å; I492-A496 PolarHBondContact O-N 2.91Å; A496-Q499 PolarHBondContact O-N 2.91Å; A496-K500 PolarHBondContact O-N 3.45Å; A496-W531 HydrophobicContact CB-CB 3.84Å; A496-W531 HydrophobicContact CB-CG 3.92Å; A496-W532 PolarHBondContact O-NE1 2.92Å; A496-P538 HydrophobicContact CB-CB 3.95Å; A496-P538 HydrophobicContact CB-CG 3.75Å
497N89.8Confident88.2Confident18 Ų1860.2 Ų60.210%0.09628%0.283CS..Hα-helixtrans-64.3-40.1173.6-82.2-43000111.8F493 Q499 K500 N501F493-N497 WeakPolarHBondContact CD2-ND2 3.37Å; F493-N497 WeakPolarHBondContact CE2-ND2 3.35Å; F493-N497 WeakPolarHBondContact CZ-ND2 3.32Å; F493-N497 WeakPolarHBondContact O-CB 3.14Å; F493-N497 PolarHBondContact O-N 2.62Å; F493-N497 PolarHBondContact O-ND2 3.49Å; N497-Q499 PolarHBondContact O-N 3.36Å; N497-K500 PolarHBondContact O-N 3.01Å; N497-K500 WeakPolarHBondContact OD1-CE 3.14Å; N497-K500 PolarHBondContact OD1-NZ 3.28Å; N497-N501 WeakPolarHBondContact O-CB 3.24Å; N497-N501 PolarHBondContact O-N 3.18Å; N497-N501 PolarHBondContact O-OD1 2.77Å
498S87Confident87.1Confident36 Ų3660.7 Ų60.725%0.25229%0.292SS..Hα-helixtrans-62.7-39.7174.8-63.90000112.8R494 S495 N501 K502R494-S498 WeakPolarHBondContact O-CB 3.4Å; R494-S498 PolarHBondContact O-N 2.17Å; R494-S498 PolarHBondContact O-OG 2.93Å; S495-S498 PolarHBondContact O-N 2.94Å; S498-N501 PolarHBondContact O-N 3.02Å; S498-K502 WeakPolarHBondContact O-CB 3.3Å; S498-K502 VanDerWaalsContact O-CG 3.27Å; S498-K502 WeakPolarHBondContact O-CG 3.38Å; S498-K502 PolarHBondContact O-N 3.41Å
499Q87.2Confident86.3Confident19 Ų1958.8 Ų58.89%0.08928%0.282CS..Hα-helixtrans-63.6-48176.5-173.917164.500111.2S495 A496 N497 N501 F503 Y514 L515S495-Q499 WeakPolarHBondContact O-CB 3.19Å; S495-Q499 PolarHBondContact O-N 3.01Å; A496-Q499 PolarHBondContact O-N 2.91Å; N497-Q499 PolarHBondContact O-N 3.36Å; Q499-N501 PolarHBondContact O-N 3.41Å; Q499-F503 WeakPolarHBondContact O-CB 3.27Å; Q499-F503 PolarHBondContact O-N 3.17Å; Q499-F503 VanDerWaalsContact O-N 3.09Å; Q499-Y514 PolarHBondContact NE2-OH 2.93Å; Q499-Y514 VanDerWaalsContact NE2-OH 3.16Å; Q499-L515 HydrophobicContact CG-CD1 4.02Å
500K84.6Confident85.2Confident38 Ų3864 Ų6417%0.16532%0.317CS..Hα-helixtrans-56.9-46.6173.4174.2177.360.5-1730111.9A496 N497 R504 W532A496-K500 PolarHBondContact O-N 3.45Å; N497-K500 PolarHBondContact O-N 3.01Å; N497-K500 WeakPolarHBondContact OD1-CE 3.14Å; N497-K500 PolarHBondContact OD1-NZ 3.28Å; K500-R504 WeakPolarHBondContact O-CB 3.11Å; K500-R504 VanDerWaalsContact O-CG 3.31Å; K500-R504 WeakPolarHBondContact O-CG 3.16Å; K500-R504 PolarHBondContact O-N 3.35Å; K500-W532 HydrophobicContact CB-CZ2 3.82Å; K500-W532 HydrophobicContact CD-CH2 3.84Å; K500-W532 HydrophobicContact CD-CZ2 3.7Å; K500-W532 HydrophobicContact CG-CZ2 4.29Å
501N82.1Confident84.2Confident29 Ų2969.1 Ų69.116%0.15534%0.34CS..Hα-helixtrans-73.8-39.6-174-69.9-1.8000112.6N497 S498 Q499 R504 R505N497-N501 WeakPolarHBondContact O-CB 3.24Å; N497-N501 PolarHBondContact O-N 3.18Å; N497-N501 PolarHBondContact O-OD1 2.77Å; S498-N501 PolarHBondContact O-N 3.02Å; Q499-N501 PolarHBondContact O-N 3.41Å; N501-R504 PolarHBondContact O-N 2.97Å; N501-R505 WeakPolarHBondContact O-CG 3.3Å; N501-R505 PolarHBondContact O-N 3.34Å; N501-R505 VanDerWaalsContact O-N 3.1Å
502K83.4Confident83.2Confident128 Ų12862.5 Ų62.556%0.55732%0.315SS*.Hα-helixtrans-62.5-48.2173.4-71.6173.5-179.1179.30110.9S498 R504 R505 N506 L512S498-K502 WeakPolarHBondContact O-CB 3.3Å; S498-K502 VanDerWaalsContact O-CG 3.27Å; S498-K502 WeakPolarHBondContact O-CG 3.38Å; S498-K502 PolarHBondContact O-N 3.41Å; K502-R504 PolarHBondContact O-N 2.83Å; K502-R505 PolarHBondContact O-N 3.16Å; K502-R505 VanDerWaalsContact O-N 3.12Å; K502-N506 PolarHBondContact O-N 3.36Å; K502-L512 HydrophobicContact CB-CD1 4.07Å
503F82.9Confident81.9Confident24 Ų2465.6 Ų65.611%0.10534%0.343CS..Hα-helixtrans-60.9-41.7177.2178.9-106.8000113.1Q499 R505 N506 P507 L512 V517 L527Q499-F503 WeakPolarHBondContact O-CB 3.27Å; Q499-F503 PolarHBondContact O-N 3.17Å; Q499-F503 VanDerWaalsContact O-N 3.09Å; F503-R505 VanDerWaalsContact C-N 3.28Å; F503-R505 PolarHBondContact O-N 3.44Å; F503-N506 CarbonylContact O-C 3.51Å; F503-P507 HydrophobicContact CD2-CB 4.37Å; F503-P507 HydrophobicContact CE2-CB 3.97Å; F503-P507 HydrophobicContact CZ-CB 4.43Å; F503-P507 WeakPolarHBondContact O-CD 3.46Å; F503-P507 WeakPolarHBondContact O-CG 3.45Å; F503-L512 HydrophobicContact CB-CD1 4.08Å; F503-V517 HydrophobicContact CE2-CG2 3.7Å; F503-V517 HydrophobicContact CZ-CG1 4.04Å; F503-V517 HydrophobicContact CZ-CG2 3.6Å; F503-L527 HydrophobicContact CB-CD1 4.06Å; F503-L527 HydrophobicContact CB-CD2 4.35Å; F503-L527 HydrophobicContact CD1-CD1 3.89Å; F503-L527 HydrophobicContact CD1-CD2 3.81Å; F503-L527 HydrophobicContact CD1-CG 3.65Å; F503-L527 HydrophobicContact CD2-CD2 3.83Å; F503-L527 HydrophobicContact CE1-CD2 4.01Å; F503-L527 HydrophobicContact CE1-CG 3.93Å; F503-L527 HydrophobicContact CE2-CD2 4.03Å; F503-L527 HydrophobicContact CG-CD1 4.05Å; F503-L527 HydrophobicContact CG-CD2 3.71Å; F503-L527 HydrophobicContact CG-CG 4Å; F503-L527 HydrophobicContact CZ-CD2 4.12Å
504R77.6Confident81.1Confident152 Ų15271.1 Ų71.157%0.57436%0.364SS*.Hα-helixtrans-67.3-24.3175.8-76.3178.8176.7-170.3-0113.7K500 N501 K502K500-R504 WeakPolarHBondContact O-CB 3.11Å; K500-R504 VanDerWaalsContact O-CG 3.31Å; K500-R504 WeakPolarHBondContact O-CG 3.16Å; K500-R504 PolarHBondContact O-N 3.35Å; N501-R504 PolarHBondContact O-N 2.97Å; K502-R504 PolarHBondContact O-N 2.83Å
505R76.3Confident80.5Confident174 Ų17469.9 Ų69.966%0.65736%0.361SS*.Hα-helixtrans-85.5-44.7176.8-74.2179.3-174.6-159.4-1.3112.6E431 N501 K502 F503E431-R505 IonicContact OE2-CZ 2.62Å; E431-R505 IonicContact OE2-NH1 3.01Å; E431-R505 PolarHBondContact OE2-NH1 3Å; E431-R505 IonicContact OE2-NH2 3.17Å; E431-R505 PolarHBondContact OE2-NH2 3.25Å; N501-R505 WeakPolarHBondContact O-CG 3.3Å; N501-R505 PolarHBondContact O-N 3.34Å; N501-R505 VanDerWaalsContact O-N 3.1Å; K502-R505 PolarHBondContact O-N 3.16Å; K502-R505 VanDerWaalsContact O-N 3.12Å; F503-R505 VanDerWaalsContact C-N 3.28Å; F503-R505 PolarHBondContact O-N 3.44Å
506N79.1Confident80.1Confident79 Ų7975.1 Ų75.142%0.42238%0.38SS..  trans-141.896.6175.2-175.76.5000110.9K502 F503 A508 D509K502-N506 PolarHBondContact O-N 3.36Å; F503-N506 CarbonylContact O-C 3.51Å; N506-A508 PolarHBondContact O-N 2.82Å; N506-A508 WeakPolarHBondContact OD1-CA 3.25Å; N506-A508 PolarHBondContact OD1-N 3.32Å; N506-D509 HydrophobicContact CB-CB 4.39Å; N506-D509 PolarHBondContact O-N 3.43Å; N506-D509 PolarHBondContact OD1-N 2.96Å
507P76.2Confident79.9Confident87 Ų8777.8 Ų77.857%0.56540%0.396SS*.THydrogen-bonded Turntrans-64-16.1174.9-2232.9000114.5F503F503-P507 HydrophobicContact CD2-CB 4.37Å; F503-P507 HydrophobicContact CE2-CB 3.97Å; F503-P507 HydrophobicContact CZ-CB 4.43Å; F503-P507 WeakPolarHBondContact O-CD 3.46Å; F503-P507 WeakPolarHBondContact O-CG 3.45Å
508A74.5Confident79.7Confident82 Ų8278.3 Ų78.368%0.67840%0.399SS*.THydrogen-bonded Turntrans-104.911.6-176.200000113.6N506 P510N506-A508 PolarHBondContact O-N 2.82Å; N506-A508 WeakPolarHBondContact OD1-CA 3.25Å; N506-A508 PolarHBondContact OD1-N 3.32Å; A508-P510 WeakPolarHBondContact O-CD 3.18Å
509D78.3Confident79.5Confident43 Ų4381.7 Ų81.723%0.2342%0.42CS..  trans-61.2122.4172.5-178.5-11000109.9N506 K511 L512 A513N506-D509 HydrophobicContact CB-CB 4.39Å; N506-D509 PolarHBondContact O-N 3.43Å; N506-D509 PolarHBondContact OD1-N 2.96Å; D509-K511 PolarHBondContact O-N 2.94Å; D509-K511 VanDerWaalsContact O-N 3.1Å; D509-K511 VanDerWaalsContact OD1-CB 3.31Å; D509-K511 WeakPolarHBondContact OD1-CB 3.41Å; D509-K511 PolarHBondContact OD1-N 3.43Å; D509-L512 HydrophobicContact CB-CB 4.39Å; D509-L512 HydrophobicContact CB-CD1 4.09Å; D509-L512 HydrophobicContact CB-CG 4.03Å; D509-L512 WeakPolarHBondContact O-CA 3.32Å; D509-L512 WeakPolarHBondContact O-CB 3.31Å; D509-L512 PolarHBondContact O-N 3.07Å; D509-A513 PolarHBondContact O-N 3.2Å
510P74.4Confident79.5Confident111 Ų11181.4 Ų81.472%0.72142%0.419SS*.G310 helixtrans-54.4-29.6176.3-27.536.1000113.6A508 L512 A513A508-P510 WeakPolarHBondContact O-CD 3.18Å; P510-L512 PolarHBondContact O-N 3.09Å; P510-A513 WeakPolarHBondContact O-CB 3.13Å; P510-A513 PolarHBondContact O-N 3.41Å
511K74.4Confident79.1Confident172 Ų17285 Ų8575%0.74846%0.456SS*.G310 helixtrans-69.2-9175.5-61.7177.8178.8176.80113.3D509 Y514D509-K511 PolarHBondContact O-N 2.94Å; D509-K511 VanDerWaalsContact O-N 3.1Å; D509-K511 VanDerWaalsContact OD1-CB 3.31Å; D509-K511 WeakPolarHBondContact OD1-CB 3.41Å; D509-K511 PolarHBondContact OD1-N 3.43Å; K511-Y514 VanDerWaalsContact O-CE1 3.22Å; K511-Y514 WeakPolarHBondContact O-CE1 3.47Å
512L74.9Confident78.7Confident14 Ų1486.6 Ų86.67%0.07347%0.467CS..G310 helixtrans-111.6-1.1175.6-58-177.5000112.8K502 F503 D509 P510 Y514 L515K502-L512 HydrophobicContact CB-CD1 4.07Å; F503-L512 HydrophobicContact CB-CD1 4.08Å; D509-L512 HydrophobicContact CB-CB 4.39Å; D509-L512 HydrophobicContact CB-CD1 4.09Å; D509-L512 HydrophobicContact CB-CG 4.03Å; D509-L512 WeakPolarHBondContact O-CA 3.32Å; D509-L512 WeakPolarHBondContact O-CB 3.31Å; D509-L512 PolarHBondContact O-N 3.07Å; P510-L512 PolarHBondContact O-N 3.09Å; L512-Y514 PolarHBondContact O-N 2.82Å; L512-L515 HydrophobicContact CB-CD1 4.15Å; L512-L515 HydrophobicContact CD2-CD1 3.92Å; L512-L515 VanDerWaalsContact O-CB 3.26Å; L512-L515 WeakPolarHBondContact O-CB 3.34Å; L512-L515 PolarHBondContact O-N 2.97Å
513A67.6Low78.1Confident83 Ų8384.2 Ų84.269%0.68648%0.479SS*.THydrogen-bonded Turntrans-62.7-16.5-175.700000114.6D509 P510 L515D509-A513 PolarHBondContact O-N 3.2Å; P510-A513 WeakPolarHBondContact O-CB 3.13Å; P510-A513 PolarHBondContact O-N 3.41Å; A513-L515 PolarHBondContact O-N 3.41Å
514Y78.9Confident77.8Confident137 Ų13789.2 Ų89.254%0.53750%0.5SS..THydrogen-bonded Turntrans-72.6-15.1171.172.8-93.6000113.3Q499 K511 L512 K516Q499-Y514 PolarHBondContact NE2-OH 2.93Å; Q499-Y514 VanDerWaalsContact NE2-OH 3.16Å; K511-Y514 VanDerWaalsContact O-CE1 3.22Å; K511-Y514 WeakPolarHBondContact O-CE1 3.47Å; L512-Y514 PolarHBondContact O-N 2.82Å; Y514-K516 PolarHBondContact O-N 2.86Å
515L79.1Confident78Confident14 Ų1483.3 Ų83.37%0.07349%0.487CS..  trans-82117.2-177.2-65172.8000111.2Q499 L512 A513 L527 T529Q499-L515 HydrophobicContact CG-CD1 4.02Å; L512-L515 HydrophobicContact CB-CD1 4.15Å; L512-L515 HydrophobicContact CD2-CD1 3.92Å; L512-L515 VanDerWaalsContact O-CB 3.26Å; L512-L515 WeakPolarHBondContact O-CB 3.34Å; L512-L515 PolarHBondContact O-N 2.97Å; A513-L515 PolarHBondContact O-N 3.41Å; L515-L527 HydrophobicContact CB-CD2 3.9Å; L515-L527 HydrophobicContact CD1-CD2 3.82Å; L515-L527 HydrophobicContact CG-CD2 4.31Å; L515-T529 VanDerWaalsContact CA-OG1 3.25Å; L515-T529 WeakPolarHBondContact CA-OG1 3.28Å; L515-T529 WeakPolarHBondContact CD2-OG1 3.24Å
516K82.5Confident78.5Confident137 Ų13775.9 Ų75.960%0.59646%0.46SS*.  trans-82.6136.1173.4-60.4178.6-178.9176.50109.7Y514 V528 T529Y514-K516 PolarHBondContact O-N 2.86Å; K516-V528 PolarHBondContact O-N 3.37Å; K516-T529 HydrophobicContact CB-CG2 3.9Å; K516-T529 HydrophobicContact CD-CG2 4.34Å; K516-T529 HydrophobicContact CG-CG2 4.12Å; K516-T529 PolarHBondContact N-OG1 2.75Å; K516-T529 PolarHBondContact O-OG1 3.48Å
517V86.3Confident78.8Confident57 Ų5772.8 Ų72.835%0.34544%0.444SS..EExtended strand (participates in β ladder)trans-127.8137.6-168.5177.30000109.9F503 G525 L526 L527F503-V517 HydrophobicContact CE2-CG2 3.7Å; F503-V517 HydrophobicContact CZ-CG1 4.04Å; F503-V517 HydrophobicContact CZ-CG2 3.6Å; V517-G525 VanDerWaalsContact CG1-CA 3.44Å; V517-L526 CarbonylContact C-O 3.53Å; V517-L526 VanDerWaalsContact CA-O 3.25Å; V517-L526 WeakPolarHBondContact CA-O 3.31Å; V517-L527 HydrophobicContact CG2-CD2 4.27Å
518I85.6Confident79.3Confident29 Ų2969 Ų6915%0.14942%0.418CS..EExtended strand (participates in β ladder)trans-88.9118.4163.1-73.2164.5000108G525 L526 V528 A590 R593I518-G525 WeakPolarHBondContact O-CA 3.48Å; I518-L526 HydrophobicContact CB-CB 4.38Å; I518-L526 PolarHBondContact N-O 3.33Å; I518-L526 PolarHBondContact O-N 2.92Å; I518-V528 HydrophobicContact CB-CG2 4.3Å; I518-V528 HydrophobicContact CD1-CG2 3.8Å; I518-V528 HydrophobicContact CG1-CG2 3.81Å; I518-A590 HydrophobicContact CG2-CB 4.06Å; I518-R593 HydrophobicContact CD1-CB 4.24Å
519P84.6Confident79.8Confident106 Ų10666.4 Ų66.469%0.68840%0.395SS*.EExtended strand (participates in β ladder)trans-70.4140.9172.329.8-33.7000110.3
520T86.1Confident80.2Confident13 Ų1366.3 Ų66.38%0.0840%0.403CS..  trans-113.5158.517577.20000111T522 G523 K524 L526 Y587 A590T520-T522 PolarHBondContact O-N 2.9Å; T520-T522 PolarHBondContact OG1-N 3.33Å; T520-T522 PolarHBondContact OG1-OG1 2.69Å; T520-G523 PolarHBondContact O-N 2.67Å; T520-G523 VanDerWaalsContact O-N 3.08Å; T520-K524 WeakPolarHBondContact CB-O 3.41Å; T520-K524 WeakPolarHBondContact CG2-O 3.39Å; T520-K524 PolarHBondContact N-O 3.3Å; T520-K524 VanDerWaalsContact N-O 3.17Å; T520-K524 PolarHBondContact OG1-O 3.3Å; T520-L526 HydrophobicContact CG2-CD1 4Å; T520-L526 HydrophobicContact CG2-CG 3.8Å; T520-Y587 HydrophobicContact CG2-CD1 3.72Å; T520-Y587 HydrophobicContact CG2-CE1 4.39Å; T520-Y587 HydrophobicContact CG2-CG 4.03Å; T520-A590 HydrophobicContact CG2-CB 3.91Å
521A76.3Confident81Confident114 Ų11464.2 Ų64.294%0.94238%0.381SS*.THydrogen-bonded Turntrans-61.1-9.6174.500000114.2G523A521-G523 VanDerWaalsContact C-N 3.29Å
522T73.1Confident81.7Confident63 Ų6357.2 Ų57.239%0.38735%0.35SS..THydrogen-bonded Turntrans-86.54.4175.772.50000113.5T520 K524 Y587T520-T522 PolarHBondContact O-N 2.9Å; T520-T522 PolarHBondContact OG1-N 3.33Å; T520-T522 PolarHBondContact OG1-OG1 2.69Å; T522-K524 PolarHBondContact O-N 2.88Å; T522-K524 VanDerWaalsContact O-N 3.13Å; T522-Y587 HydrophobicContact CG2-CD1 3.94Å; T522-Y587 HydrophobicContact CG2-CE1 4.13Å
523G72.4Confident82.4Confident77 Ų7757.9 Ų57.979%0.79436%0.36SS*.SBendtrans73.5-9.1-173.100000114.5T520 A521T520-G523 PolarHBondContact O-N 2.67Å; T520-G523 VanDerWaalsContact O-N 3.08Å; A521-G523 VanDerWaalsContact C-N 3.29Å
524K76.6Confident83.4Confident129 Ų12958 Ų5856%0.56135%0.345SS*.PPolyproline II helixtrans-92.3146.8176.1-56-167.4-178.9-170.20111.2T520 T522T520-K524 WeakPolarHBondContact CB-O 3.41Å; T520-K524 WeakPolarHBondContact CG2-O 3.39Å; T520-K524 PolarHBondContact N-O 3.3Å; T520-K524 VanDerWaalsContact N-O 3.17Å; T520-K524 PolarHBondContact OG1-O 3.3Å; T522-K524 PolarHBondContact O-N 2.88Å; T522-K524 VanDerWaalsContact O-N 3.13Å
525G81.3Confident84.1Confident28 Ų2851.5 Ų51.529%0.28932%0.32SS..EExtended strand (participates in β ladder)trans-97.4148.317800000113.4V517 I518V517-G525 VanDerWaalsContact CG1-CA 3.44Å; I518-G525 WeakPolarHBondContact O-CA 3.48Å
526L85.3Confident84.7Confident18 Ų1851.3 Ų51.39%0.09432%0.318CS..EExtended strand (participates in β ladder)trans-99.1126168.1-59.1174.7000109.4V517 I518 T520 V528 Y587 W591 Y594V517-L526 CarbonylContact C-O 3.53Å; V517-L526 VanDerWaalsContact CA-O 3.25Å; V517-L526 WeakPolarHBondContact CA-O 3.31Å; I518-L526 HydrophobicContact CB-CB 4.38Å; I518-L526 PolarHBondContact N-O 3.33Å; I518-L526 PolarHBondContact O-N 2.92Å; T520-L526 HydrophobicContact CG2-CD1 4Å; T520-L526 HydrophobicContact CG2-CG 3.8Å; L526-V528 WeakPolarHBondContact O-CG2 3.29Å; L526-Y587 HydrophobicContact CD1-CD2 4.5Å; L526-Y587 HydrophobicContact CD2-CD2 4.09Å; L526-Y587 HydrophobicContact CD2-CE2 3.91Å; L526-W591 HydrophobicContact CD1-CE3 3.84Å; L526-W591 HydrophobicContact CD1-CZ3 4.41Å; L526-W591 HydrophobicContact CD2-CE3 4.3Å; L526-W591 HydrophobicContact CD2-CZ3 4.21Å; L526-Y594 HydrophobicContact CD1-CG 4.32Å
527L86.5Confident85.2Confident15 Ų1545 Ų458%0.07929%0.291CS..EExtended strand (participates in β ladder)trans-72.4133.4176.8-74.7172.7000110.8F503 L515 V517 W532 Y594F503-L527 HydrophobicContact CB-CD1 4.06Å; F503-L527 HydrophobicContact CB-CD2 4.35Å; F503-L527 HydrophobicContact CD1-CD1 3.89Å; F503-L527 HydrophobicContact CD1-CD2 3.81Å; F503-L527 HydrophobicContact CD1-CG 3.65Å; F503-L527 HydrophobicContact CD2-CD2 3.83Å; F503-L527 HydrophobicContact CE1-CD2 4.01Å; F503-L527 HydrophobicContact CE1-CG 3.93Å; F503-L527 HydrophobicContact CE2-CD2 4.03Å; F503-L527 HydrophobicContact CG-CD1 4.05Å; F503-L527 HydrophobicContact CG-CD2 3.71Å; F503-L527 HydrophobicContact CG-CG 4Å; F503-L527 HydrophobicContact CZ-CD2 4.12Å; L515-L527 HydrophobicContact CB-CD2 3.9Å; L515-L527 HydrophobicContact CD1-CD2 3.82Å; L515-L527 HydrophobicContact CG-CD2 4.31Å; V517-L527 HydrophobicContact CG2-CD2 4.27Å; L527-W532 HydrophobicContact CB-CB 3.86Å; L527-W532 HydrophobicContact CB-CG 4.37Å; L527-W532 HydrophobicContact CD1-CG 4.35Å; L527-Y594 WeakPolarHBondContact O-CE2 3.23Å
528V87.4Confident85.5Confident6 Ų642.3 Ų42.34%0.03627%0.274CS..  trans-133.630.7-176.7-147.30000113.1K516 I518 L526 Y594 R597 V598K516-V528 PolarHBondContact O-N 3.37Å; I518-V528 HydrophobicContact CB-CG2 4.3Å; I518-V528 HydrophobicContact CD1-CG2 3.8Å; I518-V528 HydrophobicContact CG1-CG2 3.81Å; L526-V528 WeakPolarHBondContact O-CG2 3.29Å; V528-Y594 HydrophobicContact CB-CD2 4.41Å; V528-Y594 HydrophobicContact CB-CE2 4.45Å; V528-Y594 HydrophobicContact CG1-CD2 3.84Å; V528-Y594 HydrophobicContact CG1-CE2 3.98Å; V528-Y594 HydrophobicContact CG2-CD2 3.96Å; V528-Y594 HydrophobicContact CG2-CE2 4.31Å; V528-R597 HydrophobicContact CG1-CB 4.14Å; V528-R597 HydrophobicContact CG1-CG 3.65Å; V528-V598 HydrophobicContact CG1-CG2 3.62Å
529T84.7Confident85.9Confident29 Ų2941.5 Ų41.518%0.17827%0.27CS..SBendtrans-156.9163-177.435.40000109.3L515 K516L515-T529 VanDerWaalsContact CA-OG1 3.25Å; L515-T529 WeakPolarHBondContact CA-OG1 3.28Å; L515-T529 WeakPolarHBondContact CD2-OG1 3.24Å; K516-T529 HydrophobicContact CB-CG2 3.9Å; K516-T529 HydrophobicContact CD-CG2 4.34Å; K516-T529 HydrophobicContact CG-CG2 4.12Å; K516-T529 PolarHBondContact N-OG1 2.75Å; K516-T529 PolarHBondContact O-OG1 3.48Å
530G87.2Confident86.3Confident40 Ų4037.6 Ų37.641%0.41224%0.242SC..G310 helixtrans65.8-149.5-165.200000110.4W532 G533 F534G530-W532 VanDerWaalsContact C-N 3.31Å; G530-W532 PolarHBondContact O-N 2.73Å; G530-G533 WeakPolarHBondContact O-CA 3.24Å; G530-G533 PolarHBondContact O-N 2.86Å; G530-F534 PolarHBondContact O-N 2.98Å
531W89.6Confident86.7Confident68 Ų6838 Ų3826%0.25824%0.244SC..G310 helixtrans-58.3-42.9-177.8-64.2115.4000113Y491 I492 S495 A496 G533 F534 V535 P538Y491-W531 HydrophobicContact CD1-CZ2 4.31Å; Y491-W531 HydrophobicContact CE1-CH2 4.44Å; Y491-W531 AromaticContact CE1-CZ2 3.83Å; Y491-W531 HydrophobicContact CE1-CZ2 3.83Å; I492-W531 HydrophobicContact CG1-CH2 3.8Å; I492-W531 HydrophobicContact CG1-CZ2 4.37Å; I492-W531 HydrophobicContact CG1-CZ3 4.09Å; I492-W531 HydrophobicContact CG2-CE3 4.4Å; I492-W531 HydrophobicContact CG2-CZ3 4.34Å; S495-W531 PolarHBondContact OG-NE1 2.91Å; A496-W531 HydrophobicContact CB-CB 3.84Å; A496-W531 HydrophobicContact CB-CG 3.92Å; W531-G533 PolarHBondContact O-N 2.83Å; W531-F534 PolarHBondContact O-N 2.78Å; W531-V535 PolarHBondContact O-N 2.87Å; W531-P538 HydrophobicContact CB-CB 3.69Å; W531-P538 HydrophobicContact CB-CG 3.7Å
532W89.8Confident87.6Confident25 Ų2532.6 Ų32.610%0.09520%0.199CC..G310 helixtrans-71.7-2.8177.6-55.590.4000113.8A496 K500 L527 G530 R536 P538 N539 Y594A496-W532 PolarHBondContact O-NE1 2.92Å; K500-W532 HydrophobicContact CB-CZ2 3.82Å; K500-W532 HydrophobicContact CD-CH2 3.84Å; K500-W532 HydrophobicContact CD-CZ2 3.7Å; K500-W532 HydrophobicContact CG-CZ2 4.29Å; L527-W532 HydrophobicContact CB-CB 3.86Å; L527-W532 HydrophobicContact CB-CG 4.37Å; L527-W532 HydrophobicContact CD1-CG 4.35Å; G530-W532 VanDerWaalsContact C-N 3.31Å; G530-W532 PolarHBondContact O-N 2.73Å; W532-R536 WeakPolarHBondContact CZ3-O 3.32Å; W532-P538 HydrophobicContact CD2-CG 3.88Å; W532-P538 HydrophobicContact CE3-CG 4.14Å; W532-P538 HydrophobicContact CG-CG 4.3Å; W532-P538 HydrophobicContact CH2-CG 4.33Å; W532-P538 HydrophobicContact CZ2-CG 4.09Å; W532-P538 HydrophobicContact CZ3-CG 4.37Å; W532-N539 VanDerWaalsContact CH2-OD1 3.24Å; W532-N539 WeakPolarHBondContact CH2-OD1 3.34Å; W532-Y594 WeakPolarHBondContact O-CE2 3.35Å; W532-Y594 PolarHBondContact O-OH 3.45Å
533G88.7Confident88.6Confident27 Ų2730 Ų3028%0.27818%0.183SC..G310 helixtrans-101.9-7.8168.300000114.4G530 W531G530-G533 WeakPolarHBondContact O-CA 3.24Å; G530-G533 PolarHBondContact O-N 2.86Å; W531-G533 PolarHBondContact O-N 2.83Å
534F89.9Confident89.7Confident86 Ų8626.9 Ų26.938%0.37715%0.148SC..THydrogen-bonded Turntrans-99.9-45.4-178.9179.1-123.1000111.6G530 W531 P604 Y605G530-F534 PolarHBondContact O-N 2.98Å; W531-F534 PolarHBondContact O-N 2.78Å; F534-P604 HydrophobicContact CE1-CB 3.73Å; F534-P604 HydrophobicContact CE1-CG 3.75Å; F534-P604 HydrophobicContact CE2-CB 3.99Å; F534-P604 HydrophobicContact CZ-CB 3.41Å; F534-P604 VanDerWaalsContact CZ-CB 3.41Å; F534-P604 HydrophobicContact CZ-CG 3.71Å; F534-Y605 HydrophobicContact CE2-CE2 4.18Å; F534-Y605 HydrophobicContact CZ-CE2 4.41Å
535V93.1Very high90.6Very high1 Ų122.3 Ų22.31%0.00613%0.129CC..  trans-138.6157.6170.5-64.70000108.7W531 P538 V598 Y600 P604W531-V535 PolarHBondContact O-N 2.87Å; V535-P538 HydrophobicContact CG2-CB 3.71Å; V535-P538 HydrophobicContact CG2-CG 4.46Å; V535-V598 VanDerWaalsContact C-CG1 3.43Å; V535-Y600 CarbonylContact C-O 3.35Å; V535-Y600 WeakPolarHBondContact CA-O 3.39Å; V535-P604 HydrophobicContact CG1-CB 3.86Å; V535-P604 HydrophobicContact CG1-CG 4.37Å
536R92.4Very high91.3Very high10 Ų1021 Ų214%0.03812%0.116CC..SBendtrans-71.8-31.6179.7-65.7-157.4-68.1-70.57.8113.1W532 P538 E576 E580 Y594 V598 P599 Y600 R601W532-R536 WeakPolarHBondContact CZ3-O 3.32Å; R536-P538 VanDerWaalsContact C-CD 3.45Å; R536-P538 WeakPolarHBondContact O-CD 3.39Å; R536-E576 IonicContact NH2-OE1 3.2Å; R536-E580 IonicContact CZ-OE2 2.66Å; R536-E580 VanDerWaalsContact CZ-OE2 3.24Å; R536-E580 IonicContact NE-OE2 2.61Å; R536-E580 PolarHBondContact NE-OE2 2.81Å; R536-E580 IonicContact NH2-OE2 2.65Å; R536-E580 PolarHBondContact NH2-OE2 3.42Å; R536-Y594 HydrophobicContact CB-CE1 4.24Å; R536-Y594 VanDerWaalsContact CD-CE1 3.49Å; R536-Y594 HydrophobicContact CG-CD1 4.45Å; R536-Y594 HydrophobicContact CG-CE1 3.7Å; R536-V598 HydrophobicContact CG-CB 4.08Å; R536-V598 HydrophobicContact CG-CG1 3.8Å; R536-V598 WeakPolarHBondContact CG-O 3.44Å; R536-V598 PolarHBondContact NH1-O 3Å; R536-P599 VanDerWaalsContact NH1-C 3.27Å; R536-P599 PolarHBondContact NH1-O 3.44Å; R536-Y600 PolarHBondContact N-O 3.01Å; R536-R601 PolarHBondContact N-O 3.46Å
537H92.5Very high91.8Very high5 Ų520.2 Ų20.22%0.02311%0.111CC..  trans-126.266.1-178.4-63.1-91.2000112.5N539 Y540 L541 E576 D579 R601 I602H537-N539 PolarHBondContact O-N 3.31Å; H537-Y540 HydrophobicContact CB-CD2 3.39Å; H537-Y540 HydrophobicContact CB-CE2 3.92Å; H537-Y540 HydrophobicContact CB-CG 3.91Å; H537-Y540 AromaticContact CG-CD2 3.72Å; H537-Y540 AromaticContact CG-CE2 3.73Å; H537-Y540 AromaticContact ND1-CD2 3.83Å; H537-Y540 AromaticContact ND1-CE2 3.36Å; H537-Y540 WeakPolarHBondContact ND1-CE2 3.35Å; H537-Y540 AromaticContact ND1-CZ 3.95Å; H537-Y540 PolarHBondContact O-N 3.37Å; H537-Y540 VanDerWaalsContact O-N 3.13Å; H537-L541 PolarHBondContact O-N 2.86Å; H537-E576 VanDerWaalsContact CD2-CG 3.46Å; H537-E576 WeakPolarHBondContact CD2-CG 3.45Å; H537-D579 IonicContact CE1-OD2 3.66Å; H537-D579 PolarHBondContact CE1-OD2 3.13Å; H537-R601 PolarHBondContact N-O 3.32Å; H537-I602 HydrophobicContact CB-CG1 4.32Å
538P93.4Very high92.2Very high0 Ų022.6 Ų22.60%012%0.124CC..Hα-helixtrans-64.2-26.7-178.127.2-36.5000113.3I492 A496 W531 W532 V535 R536 L541 G542I492-P538 WeakPolarHBondContact CG2-O 3.43Å; A496-P538 HydrophobicContact CB-CB 3.95Å; A496-P538 HydrophobicContact CB-CG 3.75Å; W531-P538 HydrophobicContact CB-CB 3.69Å; W531-P538 HydrophobicContact CB-CG 3.7Å; W532-P538 HydrophobicContact CD2-CG 3.88Å; W532-P538 HydrophobicContact CE3-CG 4.14Å; W532-P538 HydrophobicContact CG-CG 4.3Å; W532-P538 HydrophobicContact CH2-CG 4.33Å; W532-P538 HydrophobicContact CZ2-CG 4.09Å; W532-P538 HydrophobicContact CZ3-CG 4.37Å; V535-P538 HydrophobicContact CG2-CB 3.71Å; V535-P538 HydrophobicContact CG2-CG 4.46Å; R536-P538 VanDerWaalsContact C-CD 3.45Å; R536-P538 WeakPolarHBondContact O-CD 3.39Å; P538-L541 PolarHBondContact O-N 3.08Å; P538-G542 PolarHBondContact O-N 3.17Å; P538-G542 VanDerWaalsContact O-N 3.17Å
539N92.6Very high92.7Very high12 Ų1222.3 Ų22.36%0.06412%0.122CC..Hα-helixtrans-65.7-43.2174.162.9-76.8000111.3F493 W532 H537 L541 G542 D543F493-N539 HydrophobicContact CD2-CB 4.04Å; W532-N539 VanDerWaalsContact CH2-OD1 3.24Å; W532-N539 WeakPolarHBondContact CH2-OD1 3.34Å; H537-N539 PolarHBondContact O-N 3.31Å; N539-L541 VanDerWaalsContact C-N 3.27Å; N539-L541 PolarHBondContact O-N 2.77Å; N539-G542 WeakPolarHBondContact O-CA 3.46Å; N539-G542 PolarHBondContact O-N 2.91Å; N539-D543 PolarHBondContact O-N 2.85Å
540Y94Very high93.1Very high23 Ų2321 Ų219%0.0911%0.114CC..Hα-helixtrans-62.9-33.5177.4-60.2-18.7000112H537 D543 I544 L572 E576 I602H537-Y540 HydrophobicContact CB-CD2 3.39Å; H537-Y540 HydrophobicContact CB-CE2 3.92Å; H537-Y540 HydrophobicContact CB-CG 3.91Å; H537-Y540 AromaticContact CG-CD2 3.72Å; H537-Y540 AromaticContact CG-CE2 3.73Å; H537-Y540 AromaticContact ND1-CD2 3.83Å; H537-Y540 AromaticContact ND1-CE2 3.36Å; H537-Y540 WeakPolarHBondContact ND1-CE2 3.35Å; H537-Y540 AromaticContact ND1-CZ 3.95Å; H537-Y540 PolarHBondContact O-N 3.37Å; H537-Y540 VanDerWaalsContact O-N 3.13Å; Y540-D543 PolarHBondContact O-N 3.13Å; Y540-I544 WeakPolarHBondContact O-CD1 3.32Å; Y540-I544 VanDerWaalsContact O-CG1 3.23Å; Y540-I544 WeakPolarHBondContact O-CG1 3.46Å; Y540-I544 PolarHBondContact O-N 3.4Å; Y540-L572 HydrophobicContact CD1-CD2 3.55Å; Y540-L572 HydrophobicContact CD2-CD2 4.4Å; Y540-L572 HydrophobicContact CE1-CD2 3.92Å; Y540-L572 HydrophobicContact CG-CB 4.44Å; Y540-L572 HydrophobicContact CG-CD2 3.85Å; Y540-E576 HydrophobicContact CD2-CB 4.35Å; Y540-E576 HydrophobicContact CE2-CB 4.14Å; Y540-I602 HydrophobicContact CD2-CD1 4.27Å; Y540-I602 HydrophobicContact CD2-CG1 4.48Å
541L94.4Very high93.5Very high22 Ų2219.1 Ų19.112%0.1159%0.094CC..Hα-helixtrans-63.6-44.6172-179.662.7000111.8H537 P538 N539 I544 I545 I602 F603H537-L541 PolarHBondContact O-N 2.86Å; P538-L541 PolarHBondContact O-N 3.08Å; N539-L541 VanDerWaalsContact C-N 3.27Å; N539-L541 PolarHBondContact O-N 2.77Å; L541-I544 PolarHBondContact O-N 3.17Å; L541-I545 HydrophobicContact CD1-CD1 4.28Å; L541-I545 HydrophobicContact CG-CD1 4.13Å; L541-I545 WeakPolarHBondContact O-CD1 3.12Å; L541-I545 VanDerWaalsContact O-CG1 3.27Å; L541-I545 WeakPolarHBondContact O-CG1 3.5Å; L541-I545 PolarHBondContact O-N 2.67Å; L541-I545 VanDerWaalsContact O-N 3.13Å; L541-I602 HydrophobicContact CB-CG2 4.33Å; L541-F603 HydrophobicContact CD1-CD1 4.03Å; L541-F603 HydrophobicContact CD1-CE1 4.3Å
542G94.8Very high93.7Very high0 Ų017.4 Ų17.40%09%0.09CC..Hα-helixtrans-63.6-42.5174.700000113.1G489 P538 N539 I544 I545 M546G489-G542 VanDerWaalsContact O-CA 3.3Å; G489-G542 WeakPolarHBondContact O-CA 3.26Å; P538-G542 PolarHBondContact O-N 3.17Å; P538-G542 VanDerWaalsContact O-N 3.17Å; N539-G542 WeakPolarHBondContact O-CA 3.46Å; N539-G542 PolarHBondContact O-N 2.91Å; G542-I544 PolarHBondContact O-N 2.97Å; G542-I545 PolarHBondContact O-N 3.34Å; G542-M546 WeakPolarHBondContact O-CG 3.5Å; G542-M546 PolarHBondContact O-N 2.97Å
543D93.9Very high93.9Very high9 Ų916.2 Ų16.25%0.0489%0.086CC..Hα-helixtrans-56.9-46.3174.4-74.8-52.4000111.7Y422 F493 N539 Y540 M546 A547 F568 L572Y422-D543 PolarHBondContact OH-OD1 3.42Å; F493-D543 VanDerWaalsContact CD2-CG 3.44Å; F493-D543 WeakPolarHBondContact CD2-OD1 3.36Å; F493-D543 WeakPolarHBondContact CD2-OD2 3.22Å; F493-D543 WeakPolarHBondContact CE2-OD1 3.45Å; F493-D543 WeakPolarHBondContact CE2-OD2 3.05Å; N539-D543 PolarHBondContact O-N 2.85Å; Y540-D543 PolarHBondContact O-N 3.13Å; D543-M546 PolarHBondContact O-N 3.27Å; D543-A547 WeakPolarHBondContact O-CB 3.38Å; D543-A547 PolarHBondContact O-N 3.02Å; D543-F568 HydrophobicContact CB-CE1 3.78Å; D543-F568 HydrophobicContact CB-CZ 4.09Å; D543-L572 HydrophobicContact CB-CD1 4.19Å
544I95.8Very high94Very high11 Ų1115 Ų156%0.0567%0.072CC..Hα-helixtrans-66-39178.2-68.7161.7000111.9Y540 L541 G542 A547 L548 I569 L572 I602 F603Y540-I544 WeakPolarHBondContact O-CD1 3.32Å; Y540-I544 VanDerWaalsContact O-CG1 3.23Å; Y540-I544 WeakPolarHBondContact O-CG1 3.46Å; Y540-I544 PolarHBondContact O-N 3.4Å; L541-I544 PolarHBondContact O-N 3.17Å; G542-I544 PolarHBondContact O-N 2.97Å; I544-A547 PolarHBondContact O-N 3.18Å; I544-L548 PolarHBondContact O-N 3.19Å; I544-I569 HydrophobicContact CD1-CG1 4.07Å; I544-I569 HydrophobicContact CG1-CG1 3.97Å; I544-I569 HydrophobicContact CG2-CD1 4.01Å; I544-I569 HydrophobicContact CG2-CG1 3.81Å; I544-L572 HydrophobicContact CD1-CD1 3.98Å; I544-L572 HydrophobicContact CG1-CD1 3.59Å; I544-I602 HydrophobicContact CD1-CG2 3.92Å; I544-F603 HydrophobicContact CD1-CE1 4.41Å; I544-F603 HydrophobicContact CD1-CZ 3.87Å; I544-F603 HydrophobicContact CG2-CE1 4.39Å; I544-F603 HydrophobicContact CG2-CZ 4.39Å
545I96.3Very high94Very high33 Ų3311.4 Ų11.417%0.1696%0.06CC..Hα-helixtrans-65.1-41.3177.1-68.2164.3000110.9L485 I492 L541 G542 A549L485-I545 HydrophobicContact CD1-CG2 3.75Å; L485-I545 HydrophobicContact CG-CG2 3.95Å; L485-I545 WeakPolarHBondContact O-CG2 3.33Å; I492-I545 HydrophobicContact CD1-CD1 3.94Å; L541-I545 HydrophobicContact CD1-CD1 4.28Å; L541-I545 HydrophobicContact CG-CD1 4.13Å; L541-I545 WeakPolarHBondContact O-CD1 3.12Å; L541-I545 VanDerWaalsContact O-CG1 3.27Å; L541-I545 WeakPolarHBondContact O-CG1 3.5Å; L541-I545 PolarHBondContact O-N 2.67Å; L541-I545 VanDerWaalsContact O-N 3.13Å; G542-I545 PolarHBondContact O-N 3.34Å; I545-A549 WeakPolarHBondContact O-CB 3.43Å; I545-A549 PolarHBondContact O-N 3.1Å; I545-A549 VanDerWaalsContact O-N 3.08Å
546M95.9Very high93.8Very high2 Ų219.2 Ų19.21%0.019%0.094CC..Hα-helixtrans-63-48.9173-70.3-174.4-65.700111.1Y422 Y490 F493 G542 D543 L548 A549 W550Y422-M546 HydrophobicContact CD2-CE 3.83Å; Y422-M546 HydrophobicContact CD2-SD 4.15Å; Y422-M546 HydrophobicContact CE2-CE 3.71Å; Y490-M546 VanDerWaalsContact CA-SD 3.57Å; Y490-M546 HydrophobicContact CD2-SD 4.05Å; Y490-M546 HydrophobicContact CG-SD 4.46Å; F493-M546 HydrophobicContact CB-CE 3.84Å; F493-M546 HydrophobicContact CD1-CE 4.07Å; F493-M546 HydrophobicContact CD2-CE 4.24Å; F493-M546 HydrophobicContact CG-CE 3.81Å; G542-M546 WeakPolarHBondContact O-CG 3.5Å; G542-M546 PolarHBondContact O-N 2.97Å; D543-M546 PolarHBondContact O-N 3.27Å; M546-L548 VanDerWaalsContact C-N 3.28Å; M546-L548 PolarHBondContact O-N 2.84Å; M546-A549 CarbonylContact O-C 3.29Å; M546-A549 WeakPolarHBondContact O-CA 3.44Å; M546-A549 WeakPolarHBondContact O-CB 3.33Å; M546-A549 PolarHBondContact O-N 2.87Å; M546-W550 HydrophobicContact CB-CZ2 3.88Å; M546-W550 VanDerWaalsContact O-CG 3.23Å; M546-W550 PolarHBondContact O-N 3.05Å; M546-W550 PolarHBondContact O-NE1 3.16Å
547A95.1Very high93.3Very high0 Ų024.9 Ų24.90%013%0.125CC..Hα-helixtrans-56.4-40179.400000113.5D543 I544 W550 S551 Y564 V565 F568D543-A547 WeakPolarHBondContact O-CB 3.38Å; D543-A547 PolarHBondContact O-N 3.02Å; I544-A547 PolarHBondContact O-N 3.18Å; A547-W550 PolarHBondContact O-N 3.43Å; A547-S551 PolarHBondContact O-N 3.07Å; A547-S551 PolarHBondContact O-OG 3.15Å; A547-Y564 HydrophobicContact CB-CD1 4.04Å; A547-Y564 HydrophobicContact CB-CE1 3.46Å; A547-Y564 VanDerWaalsContact CB-CE1 3.46Å; A547-V565 WeakPolarHBondContact O-CG2 3.42Å; A547-F568 HydrophobicContact CB-CD1 3.66Å; A547-F568 HydrophobicContact CB-CE1 4.12Å
548L95.7Very high93Very high65 Ų6526.2 Ų26.234%0.3413%0.132SC..Hα-helixtrans-63.6-47.5171.817960.2000111.4L485 I544 M546 W550 S551 L552 Y562 V565L485-L548 HydrophobicContact CD2-CD2 4.33Å; L485-L548 HydrophobicContact CD2-CG 4.38Å; I544-L548 PolarHBondContact O-N 3.19Å; M546-L548 VanDerWaalsContact C-N 3.28Å; M546-L548 PolarHBondContact O-N 2.84Å; L548-W550 PolarHBondContact O-N 2.66Å; L548-S551 PolarHBondContact O-N 2.88Å; L548-L552 HydrophobicContact CD1-CD2 4.39Å; L548-L552 HydrophobicContact CD1-CG 4.18Å; L548-L552 HydrophobicContact CG-CD1 4.18Å; L548-L552 HydrophobicContact CG-CG 4.31Å; L548-L552 WeakPolarHBondContact O-CG 3.33Å; L548-L552 PolarHBondContact O-N 3.3Å; L548-Y562 HydrophobicContact CD1-CE1 4.32Å; L548-V565 HydrophobicContact CB-CG1 4.36Å
549A96Very high92.7Very high0 Ų030.6 Ų30.60%015%0.154CC..Hα-helixtrans-63.7-24.3178.700000113.9I482 L485 N486 I545 M546 P553I482-A549 HydrophobicContact CG2-CB 4.26Å; I482-A549 WeakPolarHBondContact CG2-O 3.35Å; L485-A549 HydrophobicContact CB-CB 4.31Å; L485-A549 HydrophobicContact CD2-CB 4.09Å; L485-A549 HydrophobicContact CG-CB 4.17Å; N486-A549 HydrophobicContact CB-CB 3.72Å; I545-A549 WeakPolarHBondContact O-CB 3.43Å; I545-A549 PolarHBondContact O-N 3.1Å; I545-A549 VanDerWaalsContact O-N 3.08Å; M546-A549 CarbonylContact O-C 3.29Å; M546-A549 WeakPolarHBondContact O-CA 3.44Å; M546-A549 WeakPolarHBondContact O-CB 3.33Å; M546-A549 PolarHBondContact O-N 2.87Å; A549-P553 VanDerWaalsContact O-CD 3.24Å; A549-P553 WeakPolarHBondContact O-CD 3.48Å
550W94.6Very high92.4Very high2 Ų230.1 Ų30.11%0.00815%0.151CC..Hα-helixtrans-77.6-21.6172.3-52.2-10.6000112.9W388 F418 Q419 Y422 N486 M546 A547 L548 Y564W388-W550 HydrophobicContact CH2-CH2 4.01Å; W388-W550 AromaticContact CH2-CZ3 3.68Å; W388-W550 HydrophobicContact CH2-CZ3 3.68Å; W388-W550 HydrophobicContact CZ2-CE3 4.46Å; W388-W550 HydrophobicContact CZ2-CZ3 4.03Å; F418-W550 VanDerWaalsContact CB-CD1 3.42Å; F418-W550 HydrophobicContact CB-CG 4.37Å; F418-W550 AromaticContact CD2-CD1 3.89Å; Q419-W550 HydrophobicContact CG-CD2 3.92Å; Q419-W550 HydrophobicContact CG-CE3 3.89Å; Q419-W550 HydrophobicContact CG-CG 4.21Å; Q419-W550 HydrophobicContact CG-CZ3 4.43Å; Y422-W550 AromaticContact CD1-CH2 3.87Å; Y422-W550 HydrophobicContact CD1-CH2 3.87Å; Y422-W550 HydrophobicContact CD1-CZ2 4.44Å; Y422-W550 AromaticContact CD2-CH2 3.75Å; Y422-W550 HydrophobicContact CD2-CH2 3.75Å; Y422-W550 AromaticContact CD2-CZ2 3.68Å; Y422-W550 HydrophobicContact CD2-CZ2 3.68Å; Y422-W550 HydrophobicContact CE1-CH2 4.27Å; Y422-W550 HydrophobicContact CE2-CH2 4.15Å; Y422-W550 HydrophobicContact CE2-CZ2 4.38Å; Y422-W550 AromaticContact CG-CH2 3.59Å; Y422-W550 HydrophobicContact CG-CH2 3.59Å; Y422-W550 AromaticContact CG-CZ2 3.71Å; Y422-W550 HydrophobicContact CG-CZ2 3.71Å; N486-W550 PolarHBondContact OD1-NE1 3.35Å; M546-W550 HydrophobicContact CB-CZ2 3.88Å; M546-W550 VanDerWaalsContact O-CG 3.23Å; M546-W550 PolarHBondContact O-N 3.05Å; M546-W550 PolarHBondContact O-NE1 3.16Å; A547-W550 PolarHBondContact O-N 3.43Å; L548-W550 PolarHBondContact O-N 2.66Å; W550-Y564 AromaticContact CE3-CE1 3.59Å; W550-Y564 HydrophobicContact CE3-CE1 3.59Å; W550-Y564 AromaticContact CZ3-CE1 3.82Å; W550-Y564 HydrophobicContact CZ3-CE1 3.82Å; W550-Y564 AromaticContact CZ3-CZ 3.82Å; W550-Y564 VanDerWaalsContact CZ3-OH 3.27Å; W550-Y564 WeakPolarHBondContact CZ3-OH 3.41Å
551S94.5Very high92.1Very high0 Ų029 Ų290%015%0.147CC..Hα-helixtrans-97.9-31.3-174.8-50.70000112.7Q463 A547 L548 P553 C554 P561 V565Q463-S551 PolarHBondContact NE2-OG 3.46Å; A547-S551 PolarHBondContact O-N 3.07Å; A547-S551 PolarHBondContact O-OG 3.15Å; L548-S551 PolarHBondContact O-N 2.88Å; S551-P553 VanDerWaalsContact C-N 3.31Å; S551-C554 WeakPolarHBondContact O-CB 3.25Å; S551-C554 PolarHBondContact O-N 2.79Å; S551-P561 PolarHBondContact OG-O 3.46Å; S551-V565 WeakPolarHBondContact OG-CG2 3.25Å
552L94.4Very high92Very high33 Ų3329.5 Ų29.517%0.17315%0.148CC..G310 helixtrans-52.4-33.5174.2-73170.8000115.4I482 L485 L548 C554 G555 F556 Y562I482-L552 HydrophobicContact CD1-CB 3.86Å; I482-L552 HydrophobicContact CG1-CB 3.93Å; I482-L552 HydrophobicContact CG1-CD1 4.18Å; I482-L552 HydrophobicContact CG2-CB 4.35Å; L485-L552 HydrophobicContact CD2-CD1 3.67Å; L548-L552 HydrophobicContact CD1-CD2 4.39Å; L548-L552 HydrophobicContact CD1-CG 4.18Å; L548-L552 HydrophobicContact CG-CD1 4.18Å; L548-L552 HydrophobicContact CG-CG 4.31Å; L548-L552 WeakPolarHBondContact O-CG 3.33Å; L548-L552 PolarHBondContact O-N 3.3Å; L552-C554 PolarHBondContact O-N 2.82Å; L552-C554 VanDerWaalsContact O-N 3.15Å; L552-G555 PolarHBondContact O-N 3.2Å; L552-F556 HydrophobicContact CD2-CE1 3.85Å; L552-F556 HydrophobicContact CD2-CZ 3.62Å; L552-Y562 HydrophobicContact CD2-CE1 4.38Å
553P93.6Very high91.9Very high0 Ų032.2 Ų32.20%016%0.159CC..G310 helixtrans-62.3-16.1175.6-26.936.2000115.4L414 V415 I474 I482 A549 S551 G555L414-P553 HydrophobicContact CB-CG 4.22Å; V415-P553 HydrophobicContact CG2-CB 3.78Å; V415-P553 HydrophobicContact CG2-CG 3.96Å; I474-P553 HydrophobicContact CD1-CB 3.78Å; I482-P553 HydrophobicContact CD1-CG 4.46Å; I482-P553 HydrophobicContact CG2-CG 4.2Å; A549-P553 VanDerWaalsContact O-CD 3.24Å; A549-P553 WeakPolarHBondContact O-CD 3.48Å; S551-P553 VanDerWaalsContact C-N 3.31Å; P553-G555 PolarHBondContact O-N 3.03Å
554C91Very high91.8Very high0 Ų031.8 Ų31.80%016%0.157CC..G310 helixtrans-84.15.5178.4-57.60000113.5Y466 T472 S551 L552 P561Y466-C554 HydrophobicContact CD1-CB 3.75Å; Y466-C554 HydrophobicContact CE1-CB 3.61Å; Y466-C554 WeakPolarHBondContact CE1-O 3.3Å; Y466-C554 PolarHBondContact OH-O 3.42Å; T472-C554 PolarHBondContact OG1-O 3.47Å; S551-C554 WeakPolarHBondContact O-CB 3.25Å; S551-C554 PolarHBondContact O-N 2.79Å; L552-C554 PolarHBondContact O-N 2.82Å; L552-C554 VanDerWaalsContact O-N 3.15Å; C554-P561 HydrophobicContact CB-CB 3.53Å; C554-P561 HydrophobicContact CB-CG 3.47Å; C554-P561 VanDerWaalsContact CB-CG 3.47Å
555G89.9Confident91.6Very high12 Ų1231.8 Ų31.812%0.12416%0.158CC..  trans73.2-159.6-177.600000112.6L552 P553 Y562L552-G555 PolarHBondContact O-N 3.2Å; P553-G555 PolarHBondContact O-N 3.03Å; G555-Y562 WeakPolarHBondContact O-CE2 3.47Å; G555-Y562 PolarHBondContact O-OH 3.1Å
556F88.9Confident91.5Very high164 Ų16434.4 Ų34.472%0.71917%0.171SC*.SBendtrans-123.28-178-61.9-78.7000113.4L552 Y562L552-F556 HydrophobicContact CD2-CE1 3.85Å; L552-F556 HydrophobicContact CD2-CZ 3.62Å; F556-Y562 WeakPolarHBondContact CD1-OH 3.47Å; F556-Y562 VanDerWaalsContact CE1-OH 3.32Å; F556-Y562 WeakPolarHBondContact CE1-OH 3.25Å
557N83.3Confident91.4Very high130 Ų13036.9 Ų36.970%0.69518%0.181SC*.SBendtrans-67.8-40.8-173.4-61.72.3000112
558H84.2Confident91.2Very high33 Ų3337.5 Ų37.515%0.15318%0.183CC..  trans-128.9145.4-179.8-55-85.6000110.7D229 P230 S231 Y466 L560 P561D229-H558 IonicContact OD1-CE1 2.69Å; D229-H558 PolarHBondContact OD1-CE1 2.97Å; D229-H558 VanDerWaalsContact OD1-CE1 3.25Å; D229-H558 IonicContact OD1-ND1 2.65Å; P230-H558 HydrophobicContact CG-CB 4.26Å; S231-H558 PolarHBondContact OG-ND1 3.17Å; Y466-H558 HydrophobicContact CE2-CB 4.29Å; H558-L560 VanDerWaalsContact C-N 3.3Å; H558-P561 WeakPolarHBondContact O-CD 3.26Å
559I87.2Confident91.1Very high91 Ų9136.6 Ų36.647%0.46718%0.179SC..SBendtrans-78.4-13.8179.5-166.7167.4000113L232 Y562 F563 I566L232-I559 HydrophobicContact CD1-CG2 3.46Å; L232-I559 VanDerWaalsContact CD1-CG2 3.46Å; L232-I559 HydrophobicContact CG-CG2 3.73Å; I559-Y562 CarbonylContact O-C 3.59Å; I559-Y562 WeakPolarHBondContact O-CA 3.22Å; I559-Y562 WeakPolarHBondContact O-CB 3.33Å; I559-Y562 PolarHBondContact O-N 3.4Å; I559-F563 PolarHBondContact O-N 3Å; I559-I566 HydrophobicContact CD1-CD1 4.42Å
560L87.1Confident91Very high2 Ų240.4 Ų40.41%0.0120%0.204CC..G310 helixtrans-56.1-44.6-173.2-177.260.4000114.1L221 L224 C225 P230 L462 H558 Y562 F563L221-L560 HydrophobicContact CD2-CD1 3.41Å; L221-L560 VanDerWaalsContact CD2-CD1 3.41Å; L224-L560 HydrophobicContact CB-CD1 4.49Å; L224-L560 HydrophobicContact CB-CD2 3.71Å; L224-L560 HydrophobicContact CD1-CD1 4.21Å; C225-L560 HydrophobicContact CB-CD2 4.16Å; C225-L560 WeakPolarHBondContact SG-CD2 3.3Å; P230-L560 HydrophobicContact CB-CD2 3.84Å; L462-L560 HydrophobicContact CD2-CD1 4.12Å; L462-L560 HydrophobicContact CD2-CG 4.28Å; H558-L560 VanDerWaalsContact C-N 3.3Å; L560-Y562 PolarHBondContact O-N 2.9Å; L560-F563 WeakPolarHBondContact O-CB 3.35Å; L560-F563 PolarHBondContact O-N 3.21Å; L560-F563 VanDerWaalsContact O-N 3.12Å
561P88.4Confident90.9Very high0 Ų043 Ų430%022%0.218CC..G310 helixtrans-62.6-29173.7-23.135.5000113.8Q463 Y466 S551 C554 H558 F563Q463-P561 HydrophobicContact CG-CB 4.3Å; Q463-P561 PolarHBondContact NE2-O 3.35Å; Y466-P561 HydrophobicContact CD1-CG 3.81Å; Y466-P561 HydrophobicContact CD2-CG 3.96Å; Y466-P561 HydrophobicContact CE1-CG 3.98Å; Y466-P561 HydrophobicContact CE2-CG 4.1Å; Y466-P561 HydrophobicContact CG-CG 3.8Å; S551-P561 PolarHBondContact OG-O 3.46Å; C554-P561 HydrophobicContact CB-CB 3.53Å; C554-P561 HydrophobicContact CB-CG 3.47Å; C554-P561 VanDerWaalsContact CB-CG 3.47Å; H558-P561 WeakPolarHBondContact O-CD 3.26Å; P561-F563 VanDerWaalsContact C-N 3.32Å
562Y92.1Very high90.8Very high32 Ų3243.3 Ų43.313%0.12522%0.22CC..G310 helixtrans-80.4-10.1178-62.1-87.4000113.4L548 L552 G555 F556 I559 L560 Y564 V565 I566L548-Y562 HydrophobicContact CD1-CE1 4.32Å; L552-Y562 HydrophobicContact CD2-CE1 4.38Å; G555-Y562 WeakPolarHBondContact O-CE2 3.47Å; G555-Y562 PolarHBondContact O-OH 3.1Å; F556-Y562 WeakPolarHBondContact CD1-OH 3.47Å; F556-Y562 VanDerWaalsContact CE1-OH 3.32Å; F556-Y562 WeakPolarHBondContact CE1-OH 3.25Å; I559-Y562 CarbonylContact O-C 3.59Å; I559-Y562 WeakPolarHBondContact O-CA 3.22Å; I559-Y562 WeakPolarHBondContact O-CB 3.33Å; I559-Y562 PolarHBondContact O-N 3.4Å; L560-Y562 PolarHBondContact O-N 2.9Å; Y562-Y564 PolarHBondContact O-N 3.42Å; Y562-V565 HydrophobicContact CD1-CG2 4.42Å; Y562-V565 PolarHBondContact O-N 2.83Å; Y562-I566 WeakPolarHBondContact O-CG1 3.26Å; Y562-I566 PolarHBondContact O-N 3.39Å; Y562-I566 VanDerWaalsContact O-N 3.09Å
563F92.1Very high90.7Very high57 Ų5744.4 Ų44.425%0.2523%0.225CC..Hα-helixtrans-51.2-41.8170.5175.1-93.4000111T217 L221 W455 V459 I559 L560 P561 V565 I566 Y567T217-F563 HydrophobicContact CG2-CZ 3.95Å; L221-F563 HydrophobicContact CD1-CD1 3.66Å; L221-F563 HydrophobicContact CD1-CE1 3.43Å; L221-F563 VanDerWaalsContact CD1-CE1 3.43Å; L221-F563 HydrophobicContact CD1-CG 4.35Å; L221-F563 HydrophobicContact CD1-CZ 3.92Å; L221-F563 HydrophobicContact CD2-CB 4.36Å; L221-F563 HydrophobicContact CD2-CD1 4.03Å; L221-F563 HydrophobicContact CD2-CD2 4.15Å; L221-F563 HydrophobicContact CD2-CE1 4.42Å; L221-F563 HydrophobicContact CD2-CG 3.89Å; W455-F563 HydrophobicContact CH2-CE1 4.3Å; W455-F563 HydrophobicContact CH2-CZ 4.25Å; W455-F563 AromaticContact CZ2-CE1 3.99Å; W455-F563 HydrophobicContact CZ2-CE1 3.99Å; W455-F563 HydrophobicContact CZ2-CZ 4.27Å; V459-F563 HydrophobicContact CG1-CD1 4.25Å; V459-F563 HydrophobicContact CG1-CE1 4.09Å; I559-F563 PolarHBondContact O-N 3Å; L560-F563 WeakPolarHBondContact O-CB 3.35Å; L560-F563 PolarHBondContact O-N 3.21Å; L560-F563 VanDerWaalsContact O-N 3.12Å; P561-F563 VanDerWaalsContact C-N 3.32Å; F563-V565 PolarHBondContact O-N 3.33Å; F563-I566 PolarHBondContact O-N 3.49Å; F563-Y567 VanDerWaalsContact O-CB 3.28Å; F563-Y567 WeakPolarHBondContact O-CB 3.31Å; F563-Y567 PolarHBondContact O-N 3.37Å
564Y91Very high90.6Very high0 Ų048 Ų480%024%0.242CC..Hα-helixtrans-55.1-48.3176.5177.2-110.7000112.3Y460 Q463 A547 W550 Y562 F568Y460-Y564 HydrophobicContact CD1-CD2 4.03Å; Y460-Y564 AromaticContact CD1-CE2 3.57Å; Y460-Y564 HydrophobicContact CD1-CE2 3.57Å; Y460-Y564 AromaticContact CD2-CE2 3.86Å; Y460-Y564 HydrophobicContact CD2-CE2 3.86Å; Y460-Y564 HydrophobicContact CE1-CD2 4.28Å; Y460-Y564 AromaticContact CE1-CE2 3.63Å; Y460-Y564 HydrophobicContact CE1-CE2 3.63Å; Y460-Y564 AromaticContact CE2-CE2 3.91Å; Y460-Y564 HydrophobicContact CE2-CE2 3.91Å; Y460-Y564 HydrophobicContact CG-CD2 4.34Å; Y460-Y564 AromaticContact CG-CE2 3.68Å; Y460-Y564 HydrophobicContact CG-CE2 3.68Å; Y460-Y564 AromaticContact CZ-CE2 3.79Å; Q463-Y564 VanDerWaalsContact NE2-CB 3.27Å; A547-Y564 HydrophobicContact CB-CD1 4.04Å; A547-Y564 HydrophobicContact CB-CE1 3.46Å; A547-Y564 VanDerWaalsContact CB-CE1 3.46Å; W550-Y564 AromaticContact CE3-CE1 3.59Å; W550-Y564 HydrophobicContact CE3-CE1 3.59Å; W550-Y564 AromaticContact CZ3-CE1 3.82Å; W550-Y564 HydrophobicContact CZ3-CE1 3.82Å; W550-Y564 AromaticContact CZ3-CZ 3.82Å; W550-Y564 VanDerWaalsContact CZ3-OH 3.27Å; W550-Y564 WeakPolarHBondContact CZ3-OH 3.41Å; Y562-Y564 PolarHBondContact O-N 3.42Å; Y564-F568 WeakPolarHBondContact O-CB 3.28Å; Y564-F568 PolarHBondContact O-N 3.48Å
565V93.6Very high90.5Very high12 Ų1250.5 Ų50.57%0.07325%0.251CS..Hα-helixtrans-64-44-179.8-166.20000111A547 L548 S551 Y562 F563 F568 I569A547-V565 WeakPolarHBondContact O-CG2 3.42Å; L548-V565 HydrophobicContact CB-CG1 4.36Å; S551-V565 WeakPolarHBondContact OG-CG2 3.25Å; Y562-V565 HydrophobicContact CD1-CG2 4.42Å; Y562-V565 PolarHBondContact O-N 2.83Å; F563-V565 PolarHBondContact O-N 3.33Å; V565-F568 PolarHBondContact O-N 3.46Å; V565-I569 HydrophobicContact CG1-CD1 3.96Å; V565-I569 WeakPolarHBondContact O-CB 3.37Å; V565-I569 VanDerWaalsContact O-CG1 3.27Å; V565-I569 WeakPolarHBondContact O-CG1 3.39Å; V565-I569 PolarHBondContact O-N 2.96Å
566I93.3Very high90.7Very high88 Ų8850 Ų5045%0.45125%0.245SC..Hα-helixtrans-64.2-51.2-179.8-63.2164.9000110.1I559 Y562 F563 F568 I569 C570I559-I566 HydrophobicContact CD1-CD1 4.42Å; Y562-I566 WeakPolarHBondContact O-CG1 3.26Å; Y562-I566 PolarHBondContact O-N 3.39Å; Y562-I566 VanDerWaalsContact O-N 3.09Å; F563-I566 PolarHBondContact O-N 3.49Å; I566-F568 VanDerWaalsContact C-N 3.32Å; I566-F568 PolarHBondContact O-N 2.92Å; I566-I569 PolarHBondContact O-N 2.89Å; I566-C570 PolarHBondContact O-N 2.67Å; I566-C570 PolarHBondContact O-SG 2.92Å; I566-C570 VanDerWaalsContact O-SG 3.41Å
567Y92.7Very high90.7Very high54 Ų5444.4 Ų44.421%0.21223%0.23CC..Hα-helixtrans-53.6-48.6174.1159.5-99.5000111.6W455 Y460 F563 C570 L571W455-Y567 AromaticContact CD1-CZ 3.89Å; W455-Y567 AromaticContact CE2-CE2 3.66Å; W455-Y567 AromaticContact CE2-CZ 3.64Å; W455-Y567 HydrophobicContact CH2-CD2 4.43Å; W455-Y567 HydrophobicContact CH2-CE2 4.43Å; W455-Y567 HydrophobicContact CZ2-CD1 4.37Å; W455-Y567 AromaticContact CZ2-CD2 3.51Å; W455-Y567 HydrophobicContact CZ2-CD2 3.51Å; W455-Y567 HydrophobicContact CZ2-CE1 4.37Å; W455-Y567 AromaticContact CZ2-CE2 3.48Å; W455-Y567 HydrophobicContact CZ2-CE2 3.48Å; W455-Y567 VanDerWaalsContact CZ2-CE2 3.48Å; W455-Y567 AromaticContact CZ2-CG 3.97Å; W455-Y567 HydrophobicContact CZ2-CG 3.97Å; W455-Y567 AromaticContact CZ2-CZ 3.95Å; W455-Y567 AromaticContact NE1-CD1 3.8Å; W455-Y567 AromaticContact NE1-CE1 3.2Å; W455-Y567 AromaticContact NE1-CE2 3.64Å; W455-Y567 AromaticContact NE1-CZ 3.1Å; W455-Y567 PolarHBondContact NE1-OH 3.48Å; Y460-Y567 HydrophobicContact CE1-CE1 4.22Å; F563-Y567 VanDerWaalsContact O-CB 3.28Å; F563-Y567 WeakPolarHBondContact O-CB 3.31Å; F563-Y567 PolarHBondContact O-N 3.37Å; Y567-C570 WeakPolarHBondContact O-CB 3.46Å; Y567-C570 PolarHBondContact O-N 2.92Å; Y567-L571 HydrophobicContact CE1-CD2 4.16Å; Y567-L571 WeakPolarHBondContact O-CB 3.46Å; Y567-L571 PolarHBondContact O-N 2.8Å
568F92.3Very high91Very high12 Ų1239.2 Ų39.25%0.05320%0.2CC..Hα-helixtrans-71.1-35-173.1-164.4-131.4000112D543 A547 Y564 V565 I566 L571 L572D543-F568 HydrophobicContact CB-CE1 3.78Å; D543-F568 HydrophobicContact CB-CZ 4.09Å; A547-F568 HydrophobicContact CB-CD1 3.66Å; A547-F568 HydrophobicContact CB-CE1 4.12Å; Y564-F568 WeakPolarHBondContact O-CB 3.28Å; Y564-F568 PolarHBondContact O-N 3.48Å; V565-F568 PolarHBondContact O-N 3.46Å; I566-F568 VanDerWaalsContact C-N 3.32Å; I566-F568 PolarHBondContact O-N 2.92Å; F568-L571 HydrophobicContact CD2-CD2 4Å; F568-L571 HydrophobicContact CE2-CD2 4.31Å; F568-L571 PolarHBondContact O-N 3.12Å; F568-L572 HydrophobicContact CD1-CD1 3.83Å; F568-L572 HydrophobicContact CD2-CD1 4.34Å; F568-L572 HydrophobicContact CD2-CG 4.45Å; F568-L572 HydrophobicContact CE1-CD1 3.82Å; F568-L572 HydrophobicContact CE2-CD1 4.29Å; F568-L572 HydrophobicContact CE2-CG 4.44Å; F568-L572 HydrophobicContact CG-CD1 4.12Å; F568-L572 HydrophobicContact CZ-CD1 4.04Å; F568-L572 WeakPolarHBondContact O-CB 3.33Å; F568-L572 WeakPolarHBondContact O-CG 3.44Å; F568-L572 PolarHBondContact O-N 2.65Å
569I94.1Very high91.2Very high47 Ų4740 Ų4024%0.24121%0.205CC..Hα-helixtrans-61.4-47.2168.9-71166.2000110.7I544 V565 I566 L571 L572 I573I544-I569 HydrophobicContact CD1-CG1 4.07Å; I544-I569 HydrophobicContact CG1-CG1 3.97Å; I544-I569 HydrophobicContact CG2-CD1 4.01Å; I544-I569 HydrophobicContact CG2-CG1 3.81Å; V565-I569 HydrophobicContact CG1-CD1 3.96Å; V565-I569 WeakPolarHBondContact O-CB 3.37Å; V565-I569 VanDerWaalsContact O-CG1 3.27Å; V565-I569 WeakPolarHBondContact O-CG1 3.39Å; V565-I569 PolarHBondContact O-N 2.96Å; I566-I569 PolarHBondContact O-N 2.89Å; I569-L571 PolarHBondContact O-N 2.96Å; I569-L572 PolarHBondContact O-N 3.14Å; I569-I573 HydrophobicContact CG2-CD1 3.72Å; I569-I573 HydrophobicContact CG2-CG1 4.48Å; I569-I573 WeakPolarHBondContact O-CB 3.48Å; I569-I573 VanDerWaalsContact O-CG1 3.3Å; I569-I573 WeakPolarHBondContact O-CG1 3.35Å; I569-I573 PolarHBondContact O-N 3.22Å
570C93.5Very high91.3Very high79 Ų7937 Ų3753%0.53419%0.19SC..Hα-helixtrans-61.3-42.6176.7-700000112.5I566 Y567 H574I566-C570 PolarHBondContact O-N 2.67Å; I566-C570 PolarHBondContact O-SG 2.92Å; I566-C570 VanDerWaalsContact O-SG 3.41Å; Y567-C570 WeakPolarHBondContact O-CB 3.46Å; Y567-C570 PolarHBondContact O-N 2.92Å; C570-H574 WeakPolarHBondContact O-CB 3.49Å; C570-H574 PolarHBondContact O-N 2.97Å
571L91.3Very high91.3Very high56 Ų5642 Ų4229%0.29321%0.213SC..Hα-helixtrans-60-47.9175.8-17674.9000111.4Y567 F568 I569 H574 R575Y567-L571 HydrophobicContact CE1-CD2 4.16Å; Y567-L571 WeakPolarHBondContact O-CB 3.46Å; Y567-L571 PolarHBondContact O-N 2.8Å; F568-L571 HydrophobicContact CD2-CD2 4Å; F568-L571 HydrophobicContact CE2-CD2 4.31Å; F568-L571 PolarHBondContact O-N 3.12Å; I569-L571 PolarHBondContact O-N 2.96Å; L571-H574 PolarHBondContact O-N 2.61Å; L571-R575 VanDerWaalsContact O-CB 3.26Å; L571-R575 WeakPolarHBondContact O-CB 3.45Å; L571-R575 PolarHBondContact O-N 2.79Å
572L92.5Very high91.1Very high8 Ų844.4 Ų44.44%0.04222%0.224CC..Hα-helixtrans-72.1-32.7-176.7-68.2170.1000112.7Y540 D543 I544 F568 I569 R575 E576Y540-L572 HydrophobicContact CD1-CD2 3.55Å; Y540-L572 HydrophobicContact CD2-CD2 4.4Å; Y540-L572 HydrophobicContact CE1-CD2 3.92Å; Y540-L572 HydrophobicContact CG-CB 4.44Å; Y540-L572 HydrophobicContact CG-CD2 3.85Å; D543-L572 HydrophobicContact CB-CD1 4.19Å; I544-L572 HydrophobicContact CD1-CD1 3.98Å; I544-L572 HydrophobicContact CG1-CD1 3.59Å; F568-L572 HydrophobicContact CD1-CD1 3.83Å; F568-L572 HydrophobicContact CD2-CD1 4.34Å; F568-L572 HydrophobicContact CD2-CG 4.45Å; F568-L572 HydrophobicContact CE1-CD1 3.82Å; F568-L572 HydrophobicContact CE2-CD1 4.29Å; F568-L572 HydrophobicContact CE2-CG 4.44Å; F568-L572 HydrophobicContact CG-CD1 4.12Å; F568-L572 HydrophobicContact CZ-CD1 4.04Å; F568-L572 WeakPolarHBondContact O-CB 3.33Å; F568-L572 WeakPolarHBondContact O-CG 3.44Å; F568-L572 PolarHBondContact O-N 2.65Å; I569-L572 PolarHBondContact O-N 3.14Å; L572-R575 PolarHBondContact O-N 2.88Å; L572-E576 WeakPolarHBondContact O-CB 3.33Å; L572-E576 PolarHBondContact O-N 2.83Å
573I93Very high90.9Very high56 Ų5643.5 Ų43.529%0.28722%0.222SC..Hα-helixtrans-65.8-45.2170.2-70.9169.6000110.7I569 R575 E576 A577 I602 Y607I569-I573 HydrophobicContact CG2-CD1 3.72Å; I569-I573 HydrophobicContact CG2-CG1 4.48Å; I569-I573 WeakPolarHBondContact O-CB 3.48Å; I569-I573 VanDerWaalsContact O-CG1 3.3Å; I569-I573 WeakPolarHBondContact O-CG1 3.35Å; I569-I573 PolarHBondContact O-N 3.22Å; I573-R575 VanDerWaalsContact C-N 3.32Å; I573-R575 PolarHBondContact O-N 2.83Å; I573-E576 PolarHBondContact O-N 3.35Å; I573-A577 PolarHBondContact O-N 2.84Å; I573-I602 HydrophobicContact CG1-CD1 4.21Å; I573-Y607 HydrophobicContact CG1-CE1 4.3Å
574H90.5Very high90.8Very high76 Ų7645.6 Ų45.635%0.35223%0.231SC..Hα-helixtrans-61.7-41.7174.9-176.2-110.9000111.5F201 C570 L571 A577 R578F201-H574 AromaticContact CD1-CE1 3.91Å; F201-H574 AromaticContact CE1-CE1 3.47Å; F201-H574 VanDerWaalsContact CE1-CE1 3.47Å; F201-H574 WeakPolarHBondContact CE1-CE1 3.31Å; F201-H574 AromaticContact CZ-CE1 3.83Å; C570-H574 WeakPolarHBondContact O-CB 3.49Å; C570-H574 PolarHBondContact O-N 2.97Å; L571-H574 PolarHBondContact O-N 2.61Å; H574-A577 PolarHBondContact O-N 2.87Å; H574-R578 WeakPolarHBondContact O-CG 3.49Å; H574-R578 PolarHBondContact O-N 3.43Å; H574-R578 VanDerWaalsContact O-N 3.12Å
575R90.4Very high90.6Very high52 Ų5251.6 Ų51.620%0.19626%0.257CS..Hα-helixtrans-67.4-37.9178.8-165174.6-174.6140.215.6113T436 D438 L571 L572 I573 D579T436-R575 PolarHBondContact OG1-NH2 3.37Å; D438-R575 IonicContact OD1-CZ 3.13Å; D438-R575 IonicContact OD1-NH1 3.7Å; D438-R575 PolarHBondContact OD1-NH1 3.35Å; D438-R575 IonicContact OD1-NH2 3.79Å; D438-R575 PolarHBondContact OD1-NH2 3.25Å; D438-R575 IonicContact OD2-CZ 3.18Å; D438-R575 VanDerWaalsContact OD2-CZ 3.31Å; D438-R575 IonicContact OD2-NH1 2.7Å; D438-R575 PolarHBondContact OD2-NH1 2.9Å; D438-R575 VanDerWaalsContact OD2-NH1 3.08Å; D438-R575 IonicContact OD2-NH2 2.69Å; D438-R575 PolarHBondContact OD2-NH2 2.96Å; L571-R575 VanDerWaalsContact O-CB 3.26Å; L571-R575 WeakPolarHBondContact O-CB 3.45Å; L571-R575 PolarHBondContact O-N 2.79Å; L572-R575 PolarHBondContact O-N 2.88Å; I573-R575 VanDerWaalsContact C-N 3.32Å; I573-R575 PolarHBondContact O-N 2.83Å; R575-D579 PolarHBondContact O-N 2.89Å
576E92.4Very high90.3Very high0 Ų056.4 Ų56.40%028%0.277CS..Hα-helixtrans-64.5-45.7171.9-178.2-84.3156.900111.4R536 H537 Y540 L572 I573 R578 D579 E580 R601 I602 Y607R536-E576 IonicContact NH2-OE1 3.2Å; H537-E576 VanDerWaalsContact CD2-CG 3.46Å; H537-E576 WeakPolarHBondContact CD2-CG 3.45Å; Y540-E576 HydrophobicContact CD2-CB 4.35Å; Y540-E576 HydrophobicContact CE2-CB 4.14Å; L572-E576 WeakPolarHBondContact O-CB 3.33Å; L572-E576 PolarHBondContact O-N 2.83Å; I573-E576 PolarHBondContact O-N 3.35Å; E576-R578 VanDerWaalsContact C-N 3.26Å; E576-R578 PolarHBondContact O-N 2.84Å; E576-D579 PolarHBondContact O-N 3.46Å; E576-D579 VanDerWaalsContact O-N 3.16Å; E576-E580 VanDerWaalsContact O-CB 3.25Å; E576-E580 WeakPolarHBondContact O-CB 3.31Å; E576-E580 PolarHBondContact O-N 2.97Å; E576-R601 HydrophobicContact CG-CB 4.19Å; E576-R601 WeakPolarHBondContact OE1-CD 3.32Å; E576-R601 VanDerWaalsContact OE1-CG 3.24Å; E576-R601 WeakPolarHBondContact OE1-CG 3.46Å; E576-R601 IonicContact OE1-CZ 2.72Å; E576-R601 IonicContact OE1-NE 2.93Å; E576-R601 IonicContact OE1-NH1 3.31Å; E576-R601 PolarHBondContact OE1-NH1 3.04Å; E576-R601 WeakPolarHBondContact OE2-CD 3.32Å; E576-R601 IonicContact OE2-CZ 2.75Å; E576-R601 IonicContact OE2-NE 3.7Å; E576-R601 IonicContact OE2-NH1 3.19Å; E576-R601 PolarHBondContact OE2-NH1 3.24Å; E576-I602 HydrophobicContact CB-CD1 4.11Å; E576-I602 HydrophobicContact CG-CD1 4.44Å; E576-I602 HydrophobicContact CG-CG1 4.38Å; E576-Y607 PolarHBondContact OE2-OH 3.37Å
577A90.4Very high90Very high47 Ų4754 Ų5439%0.38826%0.263SS..Hα-helixtrans-59.9-36.2178.100000112.7I573 H574 H581I573-A577 PolarHBondContact O-N 2.84Å; H574-A577 PolarHBondContact O-N 2.87Å; A577-H581 PolarHBondContact O-N 2.86Å
578R88.6Confident89.9Confident22 Ų2252.9 Ų52.98%0.08327%0.268CS..Hα-helixtrans-66.2-50.7172.1-66.8176.579.7-143.23.8111.9E200 M437 D442 H574 E576 E580 H581 H582E200-R578 VanDerWaalsContact CD-NE 3.34Å; E200-R578 IonicContact OE1-CZ 3.24Å; E200-R578 IonicContact OE1-NE 2.92Å; E200-R578 PolarHBondContact OE1-NE 3.48Å; E200-R578 IonicContact OE1-NH2 2.73Å; E200-R578 PolarHBondContact OE1-NH2 2.99Å; E200-R578 IonicContact OE2-CZ 3.65Å; E200-R578 IonicContact OE2-NE 2.67Å; E200-R578 PolarHBondContact OE2-NE 3.27Å; E200-R578 IonicContact OE2-NH2 2.69Å; E200-R578 PolarHBondContact OE2-NH2 2.84Å; M437-R578 HydrophobicContact CE-CB 4.17Å; M437-R578 HydrophobicContact SD-CB 4.18Å; M437-R578 PolarHBondContact SD-NH1 3.01Å; M437-R578 VanDerWaalsContact SD-NH1 3.35Å; D442-R578 IonicContact OD1-CZ 3.96Å; D442-R578 IonicContact OD1-NH1 3.43Å; D442-R578 PolarHBondContact OD1-NH1 2.94Å; D442-R578 IonicContact OD1-NH2 3.44Å; D442-R578 PolarHBondContact OD1-NH2 2.66Å; D442-R578 IonicContact OD2-CZ 3.49Å; D442-R578 IonicContact OD2-NH1 2.94Å; D442-R578 PolarHBondContact OD2-NH1 2.81Å; D442-R578 IonicContact OD2-NH2 2.17Å; D442-R578 PolarHBondContact OD2-NH2 2.86Å; H574-R578 WeakPolarHBondContact O-CG 3.49Å; H574-R578 PolarHBondContact O-N 3.43Å; H574-R578 VanDerWaalsContact O-N 3.12Å; E576-R578 VanDerWaalsContact C-N 3.26Å; E576-R578 PolarHBondContact O-N 2.84Å; R578-E580 VanDerWaalsContact C-N 3.35Å; R578-E580 PolarHBondContact O-N 2.88Å; R578-H581 PolarHBondContact O-N 3.14Å; R578-H582 PolarHBondContact O-CD2 3.41Å; R578-H582 PolarHBondContact O-N 2.7Å
579D87.9Confident89.8Confident48 Ų4858.2 Ų58.226%0.25730%0.296SS..Hα-helixtrans-66.4-35.8-178.3-162.527.7000112.2M437 H537 R575 E576 H582 C583M437-D579 HydrophobicContact CE-CB 3.68Å; H537-D579 IonicContact CE1-OD2 3.66Å; H537-D579 PolarHBondContact CE1-OD2 3.13Å; R575-D579 PolarHBondContact O-N 2.89Å; E576-D579 PolarHBondContact O-N 3.46Å; E576-D579 VanDerWaalsContact O-N 3.16Å; D579-H582 PolarHBondContact O-N 3.31Å; D579-C583 WeakPolarHBondContact O-CB 3.49Å; D579-C583 PolarHBondContact O-N 2.91Å; D579-C583 PolarHBondContact O-SG 3.04Å; D579-C583 VanDerWaalsContact O-SG 3.35Å; D579-C583 PolarHBondContact OD1-SG 2.88Å; D579-C583 VanDerWaalsContact OD1-SG 3.41Å
580E89.9Confident89.6Confident29 Ų2956.6 Ų56.614%0.13629%0.29CS..Hα-helixtrans-58.2-45.4170.5175.971.1-137.400111.2R536 E576 R578 K584 W591R536-E580 IonicContact CZ-OE2 2.66Å; R536-E580 VanDerWaalsContact CZ-OE2 3.24Å; R536-E580 IonicContact NE-OE2 2.61Å; R536-E580 PolarHBondContact NE-OE2 2.81Å; R536-E580 IonicContact NH2-OE2 2.65Å; R536-E580 PolarHBondContact NH2-OE2 3.42Å; E576-E580 VanDerWaalsContact O-CB 3.25Å; E576-E580 WeakPolarHBondContact O-CB 3.31Å; E576-E580 PolarHBondContact O-N 2.97Å; R578-E580 VanDerWaalsContact C-N 3.35Å; R578-E580 PolarHBondContact O-N 2.88Å; E580-K584 VanDerWaalsContact O-CB 3.24Å; E580-K584 WeakPolarHBondContact O-CB 3.23Å; E580-K584 PolarHBondContact O-N 3.19Å; E580-W591 VanDerWaalsContact CD-NE1 3.25Å; E580-W591 PolarHBondContact OE1-NE1 3.24Å
581H87.7Confident89.6Confident107 Ų10753.4 Ų53.450%0.49527%0.266SS..Hα-helixtrans-64.5-48.5174.3-176.878.2000112.1E198 A577 R578 C583 K584 K585E198-H581 IonicContact OE1-CE1 3.94Å; E198-H581 PolarHBondContact OE1-CE1 3.29Å; E198-H581 IonicContact OE1-NE2 3.13Å; E198-H581 PolarHBondContact OE1-NE2 2.92Å; E198-H581 IonicContact OE2-NE2 3.89Å; E198-H581 PolarHBondContact OE2-NE2 2.82Å; A577-H581 PolarHBondContact O-N 2.86Å; R578-H581 PolarHBondContact O-N 3.14Å; H581-C583 PolarHBondContact O-N 3.37Å; H581-K584 PolarHBondContact O-N 3.11Å; H581-K585 PolarHBondContact NE2-NZ 2.85Å; H581-K585 VanDerWaalsContact O-CB 3.23Å; H581-K585 WeakPolarHBondContact O-CB 3.46Å; H581-K585 PolarHBondContact O-N 3.39Å
582H84.6Confident89.6Confident51 Ų5154.2 Ų54.224%0.23627%0.269CS..Hα-helixtrans-61.6-44.3178.8-69.1-61.4000112R578 D579 K585 K586R578-H582 PolarHBondContact O-CD2 3.41Å; R578-H582 PolarHBondContact O-N 2.7Å; D579-H582 PolarHBondContact O-N 3.31Å; H582-K585 PolarHBondContact O-N 3.44Å; H582-K586 WeakPolarHBondContact O-CB 3.29Å; H582-K586 PolarHBondContact O-N 2.7Å
583C88.1Confident89.6Confident13 Ų1361.6 Ų61.69%0.08830%0.296CS..Hα-helixtrans-68.1-38.5178.3-74.60000112D579 H581 K586 Y587 W591D579-C583 WeakPolarHBondContact O-CB 3.49Å; D579-C583 PolarHBondContact O-N 2.91Å; D579-C583 PolarHBondContact O-SG 3.04Å; D579-C583 VanDerWaalsContact O-SG 3.35Å; D579-C583 PolarHBondContact OD1-SG 2.88Å; D579-C583 VanDerWaalsContact OD1-SG 3.41Å; H581-C583 PolarHBondContact O-N 3.37Å; C583-K586 PolarHBondContact O-N 3.09Å; C583-Y587 HydrophobicContact CB-CD2 4.02Å; C583-Y587 HydrophobicContact CB-CE2 4.07Å; C583-Y587 VanDerWaalsContact O-CD2 3.28Å; C583-Y587 WeakPolarHBondContact O-CD2 3.43Å; C583-Y587 PolarHBondContact O-N 2.9Å; C583-W591 HydrophobicContact CB-CD2 3.58Å; C583-W591 HydrophobicContact CB-CE3 3.57Å; C583-W591 HydrophobicContact CB-CG 4.31Å; C583-W591 HydrophobicContact CB-CH2 3.7Å; C583-W591 HydrophobicContact CB-CZ2 3.72Å; C583-W591 HydrophobicContact CB-CZ3 3.63Å
584K89.4Confident89.6Confident100 Ų10059.3 Ų59.344%0.43528%0.284SS..Hα-helixtrans-60.9-46.4170.6-175.2165.9-174.6157.20111.9E580 H581 K586 G588 W591 E592E580-K584 VanDerWaalsContact O-CB 3.24Å; E580-K584 WeakPolarHBondContact O-CB 3.23Å; E580-K584 PolarHBondContact O-N 3.19Å; H581-K584 PolarHBondContact O-N 3.11Å; K584-K586 PolarHBondContact O-N 3.29Å; K584-G588 VanDerWaalsContact O-CA 3.29Å; K584-G588 WeakPolarHBondContact O-CA 3.45Å; K584-G588 PolarHBondContact O-N 2.81Å; K584-W591 HydrophobicContact CB-CG 4.46Å; K584-E592 WeakPolarHBondContact CE-OE1 3.45Å; K584-E592 IonicContact NZ-OE1 3.56Å; K584-E592 PolarHBondContact NZ-OE1 3.26Å
585K87.3Confident89.7Confident127 Ų12756.9 Ų56.955%0.55228%0.275SS*.Hα-helixtrans-64.1-25.5178.5-159.3169.1-162.91580113.1E198 H581 H582E198-K585 IonicContact OE1-NZ 3.2Å; E198-K585 PolarHBondContact OE1-NZ 2.87Å; E198-K585 IonicContact OE2-NZ 2.92Å; E198-K585 PolarHBondContact OE2-NZ 2.93Å; H581-K585 PolarHBondContact NE2-NZ 2.85Å; H581-K585 VanDerWaalsContact O-CB 3.23Å; H581-K585 WeakPolarHBondContact O-CB 3.46Å; H581-K585 PolarHBondContact O-N 3.39Å; H582-K585 PolarHBondContact O-N 3.44Å
586K86.3Confident89.8Confident112 Ų11261.9 Ų61.949%0.48730%0.301SS..Hα-helixtrans-97.4-36-175-175.5175.5-176.3168.30114.9H582 C583 K584H582-K586 WeakPolarHBondContact O-CB 3.29Å; H582-K586 PolarHBondContact O-N 2.7Å; C583-K586 PolarHBondContact O-N 3.09Å; K584-K586 PolarHBondContact O-N 3.29Å
587Y87.3Confident89.7Confident38 Ų3869 Ų6915%0.14933%0.328CS..Hα-helixtrans-117-9.9-176.1-45.8-65.8000113.9T520 T522 L526 C583 L589 A590 W591T520-Y587 HydrophobicContact CG2-CD1 3.72Å; T520-Y587 HydrophobicContact CG2-CE1 4.39Å; T520-Y587 HydrophobicContact CG2-CG 4.03Å; T522-Y587 HydrophobicContact CG2-CD1 3.94Å; T522-Y587 HydrophobicContact CG2-CE1 4.13Å; L526-Y587 HydrophobicContact CD1-CD2 4.5Å; L526-Y587 HydrophobicContact CD2-CD2 4.09Å; L526-Y587 HydrophobicContact CD2-CE2 3.91Å; C583-Y587 HydrophobicContact CB-CD2 4.02Å; C583-Y587 HydrophobicContact CB-CE2 4.07Å; C583-Y587 VanDerWaalsContact O-CD2 3.28Å; C583-Y587 WeakPolarHBondContact O-CD2 3.43Å; C583-Y587 PolarHBondContact O-N 2.9Å; Y587-L589 PolarHBondContact O-N 3.14Å; Y587-A590 WeakPolarHBondContact O-CB 3.36Å; Y587-A590 PolarHBondContact O-N 3.33Å; Y587-A590 VanDerWaalsContact O-N 3.1Å; Y587-W591 HydrophobicContact CD2-CE3 4.13Å
588G90.4Very high89.9Confident31 Ų3166.9 Ų66.932%0.3231%0.31SS..THydrogen-bonded Turntrans54.1-126.2172.800000113.6K584 A590 W591 E592K584-G588 VanDerWaalsContact O-CA 3.29Å; K584-G588 WeakPolarHBondContact O-CA 3.45Å; K584-G588 PolarHBondContact O-N 2.81Å; G588-A590 PolarHBondContact O-N 3.17Å; G588-W591 WeakPolarHBondContact O-CA 3.39Å; G588-W591 VanDerWaalsContact O-CB 3.32Å; G588-W591 WeakPolarHBondContact O-CB 3.38Å; G588-W591 PolarHBondContact O-N 2.97Å; G588-E592 PolarHBondContact O-N 3.12Å; G588-E592 VanDerWaalsContact O-N 3.15Å
589L90.4Very high90Very high123 Ų12369.3 Ų69.364%0.64433%0.328SS*.Hα-helixtrans-55.1-25.9179.3-64.3173.1000114Y587 R593Y587-L589 PolarHBondContact O-N 3.14Å; L589-R593 VanDerWaalsContact O-CG 3.3Å; L589-R593 WeakPolarHBondContact O-CG 3.34Å; L589-R593 PolarHBondContact O-N 3.21Å; L589-R593 VanDerWaalsContact O-N 3.12Å
590A90.1Very high90.3Very high13 Ų1370.3 Ų70.311%0.10733%0.329CS..Hα-helixtrans-73.6-30.5175.700000112.2I518 T520 Y587 G588 Y594I518-A590 HydrophobicContact CG2-CB 4.06Å; T520-A590 HydrophobicContact CG2-CB 3.91Å; Y587-A590 WeakPolarHBondContact O-CB 3.36Å; Y587-A590 PolarHBondContact O-N 3.33Å; Y587-A590 VanDerWaalsContact O-N 3.1Å; G588-A590 PolarHBondContact O-N 3.17Å; A590-Y594 PolarHBondContact O-N 3.45Å
591W92.9Very high90.5Very high12 Ų1272.1 Ų72.15%0.04533%0.334CS..Hα-helixtrans-72.7-41.1171.4-171.9-106.6000111.8L526 E580 C583 K584 Y587 G588 R593 Y594 C595L526-W591 HydrophobicContact CD1-CE3 3.84Å; L526-W591 HydrophobicContact CD1-CZ3 4.41Å; L526-W591 HydrophobicContact CD2-CE3 4.3Å; L526-W591 HydrophobicContact CD2-CZ3 4.21Å; E580-W591 VanDerWaalsContact CD-NE1 3.25Å; E580-W591 PolarHBondContact OE1-NE1 3.24Å; C583-W591 HydrophobicContact CB-CD2 3.58Å; C583-W591 HydrophobicContact CB-CE3 3.57Å; C583-W591 HydrophobicContact CB-CG 4.31Å; C583-W591 HydrophobicContact CB-CH2 3.7Å; C583-W591 HydrophobicContact CB-CZ2 3.72Å; C583-W591 HydrophobicContact CB-CZ3 3.63Å; K584-W591 HydrophobicContact CB-CG 4.46Å; Y587-W591 HydrophobicContact CD2-CE3 4.13Å; G588-W591 WeakPolarHBondContact O-CA 3.39Å; G588-W591 VanDerWaalsContact O-CB 3.32Å; G588-W591 WeakPolarHBondContact O-CB 3.38Å; G588-W591 PolarHBondContact O-N 2.97Å; W591-R593 VanDerWaalsContact C-N 3.32Å; W591-R593 PolarHBondContact O-N 3.02Å; W591-Y594 HydrophobicContact CD2-CD1 4.28Å; W591-Y594 AromaticContact CE3-CD1 3.71Å; W591-Y594 HydrophobicContact CE3-CD1 3.71Å; W591-Y594 HydrophobicContact CE3-CE1 4.42Å; W591-Y594 AromaticContact CH2-CD1 3.77Å; W591-Y594 HydrophobicContact CH2-CD1 3.77Å; W591-Y594 AromaticContact CH2-CE1 3.74Å; W591-Y594 HydrophobicContact CH2-CE1 3.74Å; W591-Y594 HydrophobicContact CZ2-CD1 4.3Å; W591-Y594 HydrophobicContact CZ2-CE1 4.49Å; W591-Y594 AromaticContact CZ3-CD1 3.43Å; W591-Y594 HydrophobicContact CZ3-CD1 3.43Å; W591-Y594 VanDerWaalsContact CZ3-CD1 3.43Å; W591-Y594 AromaticContact CZ3-CE1 3.69Å; W591-Y594 HydrophobicContact CZ3-CE1 3.69Å; W591-Y594 WeakPolarHBondContact O-CA 3.34Å; W591-Y594 WeakPolarHBondContact O-CB 2.98Å; W591-Y594 PolarHBondContact O-N 3.04Å; W591-C595 PolarHBondContact NE1-SG 2.74Å; W591-C595 PolarHBondContact O-N 3.36Å; W591-C595 PolarHBondContact O-SG 3.34Å
592E92.1Very high90.7Very high73 Ų7367 Ų6734%0.34131%0.311SS..Hα-helixtrans-63.6-38.5177.9-62.8-173.9148.400111.7K584 G588 Y594 C595 Q596K584-E592 WeakPolarHBondContact CE-OE1 3.45Å; K584-E592 IonicContact NZ-OE1 3.56Å; K584-E592 PolarHBondContact NZ-OE1 3.26Å; G588-E592 PolarHBondContact O-N 3.12Å; G588-E592 VanDerWaalsContact O-N 3.15Å; E592-Y594 VanDerWaalsContact C-N 3.31Å; E592-Y594 PolarHBondContact O-N 2.86Å; E592-C595 PolarHBondContact O-N 3.34Å; E592-Q596 WeakPolarHBondContact O-CB 3.35Å; E592-Q596 VanDerWaalsContact O-CG 3.26Å; E592-Q596 WeakPolarHBondContact O-CG 3.45Å; E592-Q596 PolarHBondContact O-N 2.93Å
593R92.1Very high91.1Very high163 Ų16367.2 Ų67.262%0.61531%0.311SS*.Hα-helixtrans-64.7-30.8170-72.2172.6-177.31781.6113.7I518 L589 W591I518-R593 HydrophobicContact CD1-CB 4.24Å; L589-R593 VanDerWaalsContact O-CG 3.3Å; L589-R593 WeakPolarHBondContact O-CG 3.34Å; L589-R593 PolarHBondContact O-N 3.21Å; L589-R593 VanDerWaalsContact O-N 3.12Å; W591-R593 VanDerWaalsContact C-N 3.32Å; W591-R593 PolarHBondContact O-N 3.02Å
594Y92.9Very high91.2Very high8 Ų868 Ų683%0.03132%0.316CS..Hα-helixtrans-70.1-48.6174.5175.6-120.7000110.6L526 L527 V528 W532 R536 A590 W591 E592 Q596 R597 V598L526-Y594 HydrophobicContact CD1-CG 4.32Å; L527-Y594 WeakPolarHBondContact O-CE2 3.23Å; V528-Y594 HydrophobicContact CB-CD2 4.41Å; V528-Y594 HydrophobicContact CB-CE2 4.45Å; V528-Y594 HydrophobicContact CG1-CD2 3.84Å; V528-Y594 HydrophobicContact CG1-CE2 3.98Å; V528-Y594 HydrophobicContact CG2-CD2 3.96Å; V528-Y594 HydrophobicContact CG2-CE2 4.31Å; W532-Y594 WeakPolarHBondContact O-CE2 3.35Å; W532-Y594 PolarHBondContact O-OH 3.45Å; R536-Y594 HydrophobicContact CB-CE1 4.24Å; R536-Y594 VanDerWaalsContact CD-CE1 3.49Å; R536-Y594 HydrophobicContact CG-CD1 4.45Å; R536-Y594 HydrophobicContact CG-CE1 3.7Å; A590-Y594 PolarHBondContact O-N 3.45Å; W591-Y594 HydrophobicContact CD2-CD1 4.28Å; W591-Y594 AromaticContact CE3-CD1 3.71Å; W591-Y594 HydrophobicContact CE3-CD1 3.71Å; W591-Y594 HydrophobicContact CE3-CE1 4.42Å; W591-Y594 AromaticContact CH2-CD1 3.77Å; W591-Y594 HydrophobicContact CH2-CD1 3.77Å; W591-Y594 AromaticContact CH2-CE1 3.74Å; W591-Y594 HydrophobicContact CH2-CE1 3.74Å; W591-Y594 HydrophobicContact CZ2-CD1 4.3Å; W591-Y594 HydrophobicContact CZ2-CE1 4.49Å; W591-Y594 AromaticContact CZ3-CD1 3.43Å; W591-Y594 HydrophobicContact CZ3-CD1 3.43Å; W591-Y594 VanDerWaalsContact CZ3-CD1 3.43Å; W591-Y594 AromaticContact CZ3-CE1 3.69Å; W591-Y594 HydrophobicContact CZ3-CE1 3.69Å; W591-Y594 WeakPolarHBondContact O-CA 3.34Å; W591-Y594 WeakPolarHBondContact O-CB 2.98Å; W591-Y594 PolarHBondContact O-N 3.04Å; E592-Y594 VanDerWaalsContact C-N 3.31Å; E592-Y594 PolarHBondContact O-N 2.86Å; Y594-Q596 VanDerWaalsContact C-N 3.33Å; Y594-Q596 PolarHBondContact O-N 2.7Å; Y594-R597 CarbonylContact O-C 3.41Å; Y594-R597 WeakPolarHBondContact O-CA 3.28Å; Y594-R597 PolarHBondContact O-N 2.98Å; Y594-V598 HydrophobicContact CD2-CG2 4.15Å; Y594-V598 HydrophobicContact CE2-CB 4.11Å; Y594-V598 HydrophobicContact CE2-CG2 3.64Å; Y594-V598 PolarHBondContact O-N 3.21Å
595C92.5Very high91.2Very high25 Ų2571.4 Ų71.417%0.16933%0.328CS..Hα-helixtrans-65.9-31.9178.6-58.40000113.1W591 E592 R597 V598 P599W591-C595 PolarHBondContact NE1-SG 2.74Å; W591-C595 PolarHBondContact O-N 3.36Å; W591-C595 PolarHBondContact O-SG 3.34Å; E592-C595 PolarHBondContact O-N 3.34Å; C595-R597 PolarHBondContact O-N 3.11Å; C595-V598 CarbonylContact O-C 3.52Å; C595-P599 WeakPolarHBondContact O-CA 3.46Å
596Q92.3Very high91.5Very high157 Ų15772.3 Ų72.373%0.73434%0.337SS*.Hα-helixtrans-62.5-26.4169.7-78171.6-0.600113.5E592 Y594E592-Q596 WeakPolarHBondContact O-CB 3.35Å; E592-Q596 VanDerWaalsContact O-CG 3.26Å; E592-Q596 WeakPolarHBondContact O-CG 3.45Å; E592-Q596 PolarHBondContact O-N 2.93Å; Y594-Q596 VanDerWaalsContact C-N 3.33Å; Y594-Q596 PolarHBondContact O-N 2.7Å
597R91.3Very high91.7Very high151 Ų15171 Ų7157%0.5733%0.33SS*.Hα-helixtrans-102.3-25.2-175.6-176.2164.7166.2127.29.9113.3V528 Y594 C595V528-R597 HydrophobicContact CG1-CB 4.14Å; V528-R597 HydrophobicContact CG1-CG 3.65Å; Y594-R597 CarbonylContact O-C 3.41Å; Y594-R597 WeakPolarHBondContact O-CA 3.28Å; Y594-R597 PolarHBondContact O-N 2.98Å; C595-R597 PolarHBondContact O-N 3.11Å
598V93.4Very high91.9Very high1 Ų172.7 Ų72.71%0.00634%0.339CS..SBendtrans-126.979.9174.2-171.10000107.1V528 V535 R536 Y594 C595 Y600V528-V598 HydrophobicContact CG1-CG2 3.62Å; V535-V598 VanDerWaalsContact C-CG1 3.43Å; R536-V598 HydrophobicContact CG-CB 4.08Å; R536-V598 HydrophobicContact CG-CG1 3.8Å; R536-V598 WeakPolarHBondContact CG-O 3.44Å; R536-V598 PolarHBondContact NH1-O 3Å; Y594-V598 HydrophobicContact CD2-CG2 4.15Å; Y594-V598 HydrophobicContact CE2-CB 4.11Å; Y594-V598 HydrophobicContact CE2-CG2 3.64Å; Y594-V598 PolarHBondContact O-N 3.21Å; C595-V598 CarbonylContact O-C 3.52Å; V598-Y600 PolarHBondContact O-N 2.81Å
599P91.8Very high91.9Very high73 Ų7374.8 Ų74.847%0.47434%0.34SS..  trans-70.5-32.3-170.227.4-34.9000112.8R536 C595R536-P599 VanDerWaalsContact NH1-C 3.27Å; R536-P599 PolarHBondContact NH1-O 3.44Å; C595-P599 WeakPolarHBondContact O-CA 3.46Å
600Y94.6Very high92Very high69 Ų6972.2 Ų72.227%0.27132%0.323SS..  trans-78.1134.5-178.2-49.7-53.9000111.9V535 R536 V598 Y605 Y607V535-Y600 CarbonylContact C-O 3.35Å; V535-Y600 WeakPolarHBondContact CA-O 3.39Å; R536-Y600 PolarHBondContact N-O 3.01Å; V598-Y600 PolarHBondContact O-N 2.81Å; Y600-Y605 VanDerWaalsContact CE1-CA 3.45Å; Y600-Y605 AromaticContact CE2-CD1 3.86Å; Y600-Y605 HydrophobicContact CE2-CD1 3.86Å; Y600-Y605 HydrophobicContact CE2-CE1 4.01Å; Y600-Y605 HydrophobicContact CE2-CG 4.38Å; Y600-Y605 AromaticContact CZ-CD1 3.72Å; Y600-Y605 WeakPolarHBondContact OH-CD1 3.49Å; Y600-Y607 CarbonylContact C-O 3.59Å; Y600-Y607 VanDerWaalsContact CA-O 3.32Å; Y600-Y607 WeakPolarHBondContact CA-O 2.97Å
601R92.7Very high92.1Very high67 Ų6775.6 Ų75.625%0.25334%0.335SS..SBendtrans-82.6-59.8-178.1-63.6168.8174.1-102.1-1.5111R536 H537 E576 Y607R536-R601 PolarHBondContact N-O 3.46Å; H537-R601 PolarHBondContact N-O 3.32Å; E576-R601 HydrophobicContact CG-CB 4.19Å; E576-R601 WeakPolarHBondContact OE1-CD 3.32Å; E576-R601 VanDerWaalsContact OE1-CG 3.24Å; E576-R601 WeakPolarHBondContact OE1-CG 3.46Å; E576-R601 IonicContact OE1-CZ 2.72Å; E576-R601 IonicContact OE1-NE 2.93Å; E576-R601 IonicContact OE1-NH1 3.31Å; E576-R601 PolarHBondContact OE1-NH1 3.04Å; E576-R601 WeakPolarHBondContact OE2-CD 3.32Å; E576-R601 IonicContact OE2-CZ 2.75Å; E576-R601 IonicContact OE2-NE 3.7Å; E576-R601 IonicContact OE2-NH1 3.19Å; E576-R601 PolarHBondContact OE2-NH1 3.24Å; R601-Y607 HydrophobicContact CB-CD1 3.78Å; R601-Y607 HydrophobicContact CB-CE1 3.77Å; R601-Y607 HydrophobicContact CG-CD1 4.38Å; R601-Y607 HydrophobicContact CG-CE1 4.17Å; R601-Y607 VanDerWaalsContact N-C 3.26Å; R601-Y607 PolarHBondContact N-O 2.99Å; R601-Y607 PolarHBondContact N-OXT 2.72Å
602I92.5Very high92.1Very high0 Ų079.6 Ų79.60%035%0.353CS..SBendtrans-132.6-49.1-172.8-55.7176.4000110.3H537 Y540 L541 I544 I573 E576 Y607H537-I602 HydrophobicContact CB-CG1 4.32Å; Y540-I602 HydrophobicContact CD2-CD1 4.27Å; Y540-I602 HydrophobicContact CD2-CG1 4.48Å; L541-I602 HydrophobicContact CB-CG2 4.33Å; I544-I602 HydrophobicContact CD1-CG2 3.92Å; I573-I602 HydrophobicContact CG1-CD1 4.21Å; E576-I602 HydrophobicContact CB-CD1 4.11Å; E576-I602 HydrophobicContact CG-CD1 4.44Å; E576-I602 HydrophobicContact CG-CG1 4.38Å; I602-Y607 HydrophobicContact CB-CD1 4.42Å; I602-Y607 HydrophobicContact CD1-CE1 4.38Å; I602-Y607 PolarHBondContact N-OXT 3.25Å
603F92.5Very high92.1Very high55 Ų5580.1 Ų80.124%0.24135%0.354CS..SBendtrans-102.6107.3-173.6-63.8-71.9000109.7L541 I544 Y605 I606 Y607L541-F603 HydrophobicContact CD1-CD1 4.03Å; L541-F603 HydrophobicContact CD1-CE1 4.3Å; I544-F603 HydrophobicContact CD1-CE1 4.41Å; I544-F603 HydrophobicContact CD1-CZ 3.87Å; I544-F603 HydrophobicContact CG2-CE1 4.39Å; I544-F603 HydrophobicContact CG2-CZ 4.39Å; F603-Y605 PolarHBondContact O-N 3.46Å; F603-I606 HydrophobicContact CB-CB 3.92Å; F603-I606 HydrophobicContact CB-CG2 4.47Å; F603-I606 PolarHBondContact O-N 3.16Å; F603-Y607 HydrophobicContact CD2-CD1 4.5Å; F603-Y607 PolarHBondContact N-OXT 3.15Å; F603-Y607 PolarHBondContact O-N 3.18Å
604P90Very high92.1Very high31 Ų3174.1 Ų74.120%0.20134%0.336CS..THydrogen-bonded Turntrans-60135.9-175.827.1-35000110.5F534 V535 I606F534-P604 HydrophobicContact CE1-CB 3.73Å; F534-P604 HydrophobicContact CE1-CG 3.75Å; F534-P604 HydrophobicContact CE2-CB 3.99Å; F534-P604 HydrophobicContact CZ-CB 3.41Å; F534-P604 VanDerWaalsContact CZ-CB 3.41Å; F534-P604 HydrophobicContact CZ-CG 3.71Å; V535-P604 HydrophobicContact CG1-CB 3.86Å; V535-P604 HydrophobicContact CG1-CG 4.37Å; P604-I606 PolarHBondContact O-N 3.02Å
605Y90.7Very high92Very high171 Ų17179.2 Ų79.267%0.67136%0.359SS*.THydrogen-bonded Turntrans65.25.3-175.7-45.3-77.5000116.2F534 Y600 F603F534-Y605 HydrophobicContact CE2-CE2 4.18Å; F534-Y605 HydrophobicContact CZ-CE2 4.41Å; Y600-Y605 VanDerWaalsContact CE1-CA 3.45Å; Y600-Y605 AromaticContact CE2-CD1 3.86Å; Y600-Y605 HydrophobicContact CE2-CD1 3.86Å; Y600-Y605 HydrophobicContact CE2-CE1 4.01Å; Y600-Y605 HydrophobicContact CE2-CG 4.38Å; Y600-Y605 AromaticContact CZ-CD1 3.72Å; Y600-Y605 WeakPolarHBondContact OH-CD1 3.49Å; F603-Y605 PolarHBondContact O-N 3.46Å
606I92.3Very high92Very high146 Ų14683.8 Ų83.875%0.74938%0.375SS*.THydrogen-bonded Turntrans-126.5-52.1-178.8-57174.2000112F603 P604F603-I606 HydrophobicContact CB-CB 3.92Å; F603-I606 HydrophobicContact CB-CG2 4.47Å; F603-I606 PolarHBondContact O-N 3.16Å; P604-I606 PolarHBondContact O-N 3.02Å
607Y89.9Confident92Very high84 Ų8477.1 Ų77.133%0.32934%0.342SS..  trans-150.30-173.1-179.2-97.6000112.2I573 E576 Y600 R601 I602 F603I573-Y607 HydrophobicContact CG1-CE1 4.3Å; E576-Y607 PolarHBondContact OE2-OH 3.37Å; Y600-Y607 CarbonylContact C-O 3.59Å; Y600-Y607 VanDerWaalsContact CA-O 3.32Å; Y600-Y607 WeakPolarHBondContact CA-O 2.97Å; R601-Y607 HydrophobicContact CB-CD1 3.78Å; R601-Y607 HydrophobicContact CB-CE1 3.77Å; R601-Y607 HydrophobicContact CG-CD1 4.38Å; R601-Y607 HydrophobicContact CG-CE1 4.17Å; R601-Y607 VanDerWaalsContact N-C 3.26Å; R601-Y607 PolarHBondContact N-O 2.99Å; R601-Y607 PolarHBondContact N-OXT 2.72Å; I602-Y607 HydrophobicContact CB-CD1 4.42Å; I602-Y607 HydrophobicContact CD1-CE1 4.38Å; I602-Y607 PolarHBondContact N-OXT 3.25Å; F603-Y607 HydrophobicContact CD2-CD1 4.5Å; F603-Y607 PolarHBondContact N-OXT 3.15Å; F603-Y607 PolarHBondContact O-N 3.18Å

Retrieved 607 of 607 residues in 397.6 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).