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Queuosine 5'-phosphate N-glycosylase/hydrolase

Catalyzes the hydrolysis of queuosine 5'-phosphate, releasing the nucleobase queuine (q). Is required for salvage of queuine from exogenous queuosine (Q) that is imported and then converted to queuosine 5'-phosphate intracellularly.

AlphaFold DB , UniProt , Accession A0A060WGD0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 339 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.6Low93.2Very high221 Ų22164.4 Ų64.4100%1.08935%0.346SS*.  01410-82.6-179.7-90.100107.6
2E84.8Confident93.7Very high141 Ų14170 Ų7066%0.65936%0.358SS*.PPolyproline II helixtrans-62.2141.6175.4-167.2178.3179.500110.1R201E2-R201 WeakPolarHBondContact O-CD 3.48Å; E2-R201 PolarHBondContact O-NH1 3.32Å
3A92.6Very high94.1Very high77 Ų7766.9 Ų66.964%0.63634%0.341SS*.PPolyproline II helixtrans-66.4145.8175.100000110.2
4P97Very high94.4Very high25 Ų2562.1 Ų62.116%0.16232%0.316CS..PPolyproline II helixtrans-63.7149175.129.6-35.3000110.7E194 R201 Y205P4-E194 HydrophobicContact CG-CG 4.34Å; P4-R201 WeakPolarHBondContact CA-O 3.3Å; P4-R201 HydrophobicContact CB-CB 4.12Å; P4-Y205 WeakPolarHBondContact CG-OH 3.45Å
5L98.1Very high94.7Very high33 Ų3360.7 Ų60.717%0.17331%0.312CS..BIsolated β-bridgetrans-57.8143.5167.3-69.3-179.3000110E9 S10 F13 K200 R201 I202 S203L5-E9 HydrophobicContact CB-CB 4.25Å; L5-E9 HydrophobicContact CD2-CB 4.46Å; L5-S10 WeakPolarHBondContact CB-OG 3.26Å; L5-S10 PolarHBondContact O-OG 3.37Å; L5-F13 HydrophobicContact CD1-CB 3.83Å; L5-F13 HydrophobicContact CD1-CD1 4.43Å; L5-F13 HydrophobicContact CD1-CG 4.06Å; L5-K200 HydrophobicContact CD1-CD 3.75Å; L5-K200 HydrophobicContact CD1-CG 4.38Å; L5-K200 HydrophobicContact CG-CD 4.24Å; L5-R201 PolarHBondContact N-O 3.28Å; L5-I202 HydrophobicContact CD1-CG2 4.39Å; L5-S203 WeakPolarHBondContact O-CB 3.5Å; L5-S203 PolarHBondContact O-N 3.46Å; L5-S203 VanDerWaalsContact O-N 3.14Å; L5-S203 PolarHBondContact O-OG 3.37Å
6P97.6Very high94.9Very high64 Ų6463.9 Ų63.942%0.41633%0.325SS..PPolyproline II helixtrans-62.9164.8172.5-4.112.6000111.8R8 E9 S10P6-R8 PolarHBondContact O-N 2.87Å; P6-E9 WeakPolarHBondContact CB-OE2 3.42Å; P6-E9 HydrophobicContact CG-CG 4.44Å; P6-E9 WeakPolarHBondContact CG-OE2 3.19Å; P6-E9 PolarHBondContact O-N 2.97Å; P6-S10 VanDerWaalsContact O-CB 3.26Å; P6-S10 WeakPolarHBondContact O-CB 3.41Å; P6-S10 PolarHBondContact O-N 3.26Å; P6-S10 PolarHBondContact O-OG 3.37Å
7P98.4Very high95.1Very high14 Ų1464.9 Ų64.99%0.09133%0.328CS..Hα-helixtrans-54.7-43.8-173.4-30.337.1000115.1S10 G11 S203 Y205 T234P7-S10 WeakPolarHBondContact O-CB 3.5Å; P7-S10 PolarHBondContact O-N 3.43Å; P7-G11 PolarHBondContact O-N 3.31Å; P7-S203 WeakPolarHBondContact CA-O 3.3Å; P7-Y205 HydrophobicContact CG-CD2 3.92Å; P7-Y205 HydrophobicContact CG-CG 4.4Å; P7-T234 HydrophobicContact CB-CG2 4.04Å
8R98.5Very high95.3Very high51 Ų5162.4 Ų62.419%0.19232%0.317CS..Hα-helixtrans-63.3-50.5179174.3177.2-67.7115.215.4112P6 S10 G11 R12 D231 T234 W283 E286P6-R8 PolarHBondContact O-N 2.87Å; R8-S10 VanDerWaalsContact C-N 3.28Å; R8-S10 PolarHBondContact O-N 2.85Å; R8-G11 PolarHBondContact O-N 2.57Å; R8-R12 PolarHBondContact O-N 2.7Å; R8-D231 PolarHBondContact NH1-O 2.99Å; R8-D231 PolarHBondContact NH2-O 2.61Å; R8-T234 HydrophobicContact CB-CG2 3.97Å; R8-W283 HydrophobicContact CG-CZ3 4.22Å; R8-E286 HydrophobicContact CG-CG 4.26Å; R8-E286 IonicContact CZ-OE2 3.67Å; R8-E286 VanDerWaalsContact CZ-OE2 3.3Å; R8-E286 IonicContact NE-OE1 3.1Å; R8-E286 IonicContact NE-OE2 3.3Å; R8-E286 PolarHBondContact NE-OE2 3.1Å; R8-E286 IonicContact NH2-OE1 3.3Å; R8-E286 PolarHBondContact NH2-OE1 3.12Å; R8-E286 IonicContact NH2-OE2 3.72Å; R8-E286 PolarHBondContact NH2-OE2 3.19Å
9E98.6Very high95.4Very high82 Ų8264.1 Ų64.138%0.38332%0.324SS..Hα-helixtrans-67.3-33179.9-68.469-157.300111.2L5 P6 R12 F13L5-E9 HydrophobicContact CB-CB 4.25Å; L5-E9 HydrophobicContact CD2-CB 4.46Å; P6-E9 WeakPolarHBondContact CB-OE2 3.42Å; P6-E9 HydrophobicContact CG-CG 4.44Å; P6-E9 WeakPolarHBondContact CG-OE2 3.19Å; P6-E9 PolarHBondContact O-N 2.97Å; E9-R12 PolarHBondContact O-N 2.72Å; E9-F13 VanDerWaalsContact O-CB 3.28Å; E9-F13 WeakPolarHBondContact O-CB 3.42Å; E9-F13 PolarHBondContact O-N 3.1Å
10S98.7Very high95.6Very high0 Ų061.8 Ų61.80%031%0.312CS..Hα-helixtrans-61-50170.8-65.70000110.7L5 P6 P7 R8 R12 F13 V14 I202 S203L5-S10 WeakPolarHBondContact CB-OG 3.26Å; L5-S10 PolarHBondContact O-OG 3.37Å; P6-S10 VanDerWaalsContact O-CB 3.26Å; P6-S10 WeakPolarHBondContact O-CB 3.41Å; P6-S10 PolarHBondContact O-N 3.26Å; P6-S10 PolarHBondContact O-OG 3.37Å; P7-S10 WeakPolarHBondContact O-CB 3.5Å; P7-S10 PolarHBondContact O-N 3.43Å; R8-S10 VanDerWaalsContact C-N 3.28Å; R8-S10 PolarHBondContact O-N 2.85Å; S10-R12 VanDerWaalsContact C-N 3.34Å; S10-R12 PolarHBondContact O-N 3.27Å; S10-F13 PolarHBondContact O-N 3.09Å; S10-V14 WeakPolarHBondContact O-CB 3.27Å; S10-V14 VanDerWaalsContact O-CG2 3.23Å; S10-V14 WeakPolarHBondContact O-CG2 3.4Å; S10-V14 PolarHBondContact O-N 3.29Å; S10-I202 WeakPolarHBondContact OG-CA 3.04Å; S10-I202 WeakPolarHBondContact OG-CB 3.5Å; S10-S203 WeakPolarHBondContact CB-O 3.42Å; S10-S203 PolarHBondContact OG-N 3.01Å; S10-S203 PolarHBondContact OG-O 2.8Å; S10-S203 VanDerWaalsContact OG-O 3.08Å
11G98.6Very high95.7Very high0 Ų058.9 Ų58.90%030%0.298CS..Hα-helixtrans-58-45.2176.100000112.5P7 R8 V14 V15 G279P7-G11 PolarHBondContact O-N 3.31Å; R8-G11 PolarHBondContact O-N 2.57Å; G11-V14 PolarHBondContact O-N 3.42Å; G11-V15 WeakPolarHBondContact O-CG2 3.25Å; G11-V15 PolarHBondContact O-N 3.42Å; G11-G279 WeakPolarHBondContact CA-O 3.27Å
12R98.7Very high97.5Very high132 Ų13251.7 Ų51.750%0.49826%0.261SS..Hα-helixtrans-58.1-51.7175-176179.3167.9169.50.8112R8 E9 S10 V14 V15 E16 W283R8-R12 PolarHBondContact O-N 2.7Å; E9-R12 PolarHBondContact O-N 2.72Å; S10-R12 VanDerWaalsContact C-N 3.34Å; S10-R12 PolarHBondContact O-N 3.27Å; R12-V14 VanDerWaalsContact C-N 3.29Å; R12-V14 PolarHBondContact O-N 3.31Å; R12-V15 PolarHBondContact O-N 2.96Å; R12-E16 IonicContact CZ-OE1 3.44Å; R12-E16 IonicContact NE-OE1 2.7Å; R12-E16 PolarHBondContact NE-OE1 3.31Å; R12-E16 IonicContact NH2-OE1 2.66Å; R12-E16 WeakPolarHBondContact O-CG 3.44Å; R12-E16 PolarHBondContact O-N 3.17Å; R12-E16 VanDerWaalsContact O-N 3.13Å; R12-W283 HydrophobicContact CB-CD2 3.92Å; R12-W283 HydrophobicContact CB-CE3 3.61Å; R12-W283 HydrophobicContact CB-CH2 4Å; R12-W283 HydrophobicContact CB-CZ2 4.27Å; R12-W283 HydrophobicContact CB-CZ3 3.66Å; R12-W283 HydrophobicContact CG-CD2 4.33Å; R12-W283 HydrophobicContact CG-CE3 4.3Å; R12-W283 HydrophobicContact CG-CH2 3.89Å; R12-W283 HydrophobicContact CG-CZ2 3.89Å; R12-W283 HydrophobicContact CG-CZ3 4.09Å
13F98.8Very high98.1Very high30 Ų3046.5 Ų46.513%0.13224%0.238CC..Hα-helixtrans-61.4-39-179.2178.1-103000111.8L5 E9 S10 E16 H17 Y197 K198 K200 I202L5-F13 HydrophobicContact CD1-CB 3.83Å; L5-F13 HydrophobicContact CD1-CD1 4.43Å; L5-F13 HydrophobicContact CD1-CG 4.06Å; E9-F13 VanDerWaalsContact O-CB 3.28Å; E9-F13 WeakPolarHBondContact O-CB 3.42Å; E9-F13 PolarHBondContact O-N 3.1Å; S10-F13 PolarHBondContact O-N 3.09Å; F13-E16 PolarHBondContact O-N 2.96Å; F13-H17 AromaticContact CD2-CE1 3.67Å; F13-H17 AromaticContact CD2-ND1 3.85Å; F13-H17 AromaticContact CE2-CE1 3.37Å; F13-H17 WeakPolarHBondContact CE2-CE1 3.34Å; F13-H17 AromaticContact CE2-ND1 3.73Å; F13-H17 PolarHBondContact O-ND1 2.74Å; F13-Y197 HydrophobicContact CD1-CD1 4.17Å; F13-Y197 AromaticContact CE1-CD1 3.95Å; F13-Y197 HydrophobicContact CE1-CD1 3.95Å; F13-Y197 WeakPolarHBondContact CE1-O 3.5Å; F13-K198 HydrophobicContact CE1-CB 4.41Å; F13-K198 HydrophobicContact CZ-CB 4.36Å; F13-K200 HydrophobicContact CD1-CB 4.38Å; F13-K200 HydrophobicContact CD1-CD 4.25Å; F13-K200 HydrophobicContact CD2-CD 4.09Å; F13-K200 HydrophobicContact CE1-CB 3.6Å; F13-K200 HydrophobicContact CE1-CD 3.99Å; F13-K200 HydrophobicContact CE1-CG 4.35Å; F13-K200 HydrophobicContact CE2-CD 3.81Å; F13-K200 HydrophobicContact CG-CD 4.29Å; F13-K200 HydrophobicContact CZ-CB 3.74Å; F13-K200 HydrophobicContact CZ-CD 3.77Å; F13-K200 HydrophobicContact CZ-CG 4.4Å; F13-I202 HydrophobicContact CD1-CG2 4.15Å
14V98.8Very high98.4Very high0 Ų045.9 Ų45.90%022%0.222CC..Hα-helixtrans-63.1-48.4176.5169.40000110.9S10 G11 R12 E16 H17 S18 Y197 I202 V275 E276S10-V14 WeakPolarHBondContact O-CB 3.27Å; S10-V14 VanDerWaalsContact O-CG2 3.23Å; S10-V14 WeakPolarHBondContact O-CG2 3.4Å; S10-V14 PolarHBondContact O-N 3.29Å; G11-V14 PolarHBondContact O-N 3.42Å; R12-V14 VanDerWaalsContact C-N 3.29Å; R12-V14 PolarHBondContact O-N 3.31Å; V14-E16 VanDerWaalsContact C-N 3.31Å; V14-E16 PolarHBondContact O-N 3.04Å; V14-H17 CarbonylContact O-C 3.55Å; V14-H17 PolarHBondContact O-N 3.36Å; V14-H17 VanDerWaalsContact O-N 3.09Å; V14-S18 WeakPolarHBondContact O-CB 3.28Å; V14-S18 PolarHBondContact O-N 2.96Å; V14-Y197 HydrophobicContact CB-CE1 4.31Å; V14-Y197 HydrophobicContact CG1-CE1 4.35Å; V14-Y197 HydrophobicContact CG2-CD1 3.84Å; V14-Y197 HydrophobicContact CG2-CE1 4.1Å; V14-Y197 HydrophobicContact CG2-CG 4.29Å; V14-I202 HydrophobicContact CG2-CD1 3.97Å; V14-V275 HydrophobicContact CG1-CG1 4.5Å; V14-V275 HydrophobicContact CG2-CG1 3.81Å; V14-E276 HydrophobicContact CG1-CG 4.3Å
15V98.4Very high98.5Very high40 Ų4047.2 Ų47.224%0.24223%0.227CC..Hα-helixtrans-58.7-41.5178.5167.30000112.5G11 R12 H17 S18 V23 C280 W283G11-V15 WeakPolarHBondContact O-CG2 3.25Å; G11-V15 PolarHBondContact O-N 3.42Å; R12-V15 PolarHBondContact O-N 2.96Å; V15-H17 PolarHBondContact O-N 3.45Å; V15-H17 VanDerWaalsContact O-N 3.13Å; V15-S18 PolarHBondContact O-N 2.92Å; V15-V23 HydrophobicContact CG1-CG2 4.3Å; V15-V23 HydrophobicContact CG2-CG2 3.74Å; V15-C280 HydrophobicContact CG2-CB 3.94Å; V15-W283 HydrophobicContact CB-CG 4.36Å; V15-W283 HydrophobicContact CG2-CB 3.65Å; V15-W283 HydrophobicContact CG2-CG 3.92Å
16E98.2Very high98.5Very high112 Ų11251.2 Ų51.252%0.52324%0.244SC..Hα-helixtrans-62.1-19.5179.7-72170.7-179.400113.2R12 F13 V14R12-E16 IonicContact CZ-OE1 3.44Å; R12-E16 IonicContact NE-OE1 2.7Å; R12-E16 PolarHBondContact NE-OE1 3.31Å; R12-E16 IonicContact NH2-OE1 2.66Å; R12-E16 WeakPolarHBondContact O-CG 3.44Å; R12-E16 PolarHBondContact O-N 3.17Å; R12-E16 VanDerWaalsContact O-N 3.13Å; F13-E16 PolarHBondContact O-N 2.96Å; V14-E16 VanDerWaalsContact C-N 3.31Å; V14-E16 PolarHBondContact O-N 3.04Å
17H98.5Very high98.6Very high82 Ų8248.2 Ų48.238%0.3823%0.225SC..Hα-helixtrans-1286.7-175.2-55.381.6000113.9F13 V14 V15 Y197 K198F13-H17 AromaticContact CD2-CE1 3.67Å; F13-H17 AromaticContact CD2-ND1 3.85Å; F13-H17 AromaticContact CE2-CE1 3.37Å; F13-H17 WeakPolarHBondContact CE2-CE1 3.34Å; F13-H17 AromaticContact CE2-ND1 3.73Å; F13-H17 PolarHBondContact O-ND1 2.74Å; V14-H17 CarbonylContact O-C 3.55Å; V14-H17 PolarHBondContact O-N 3.36Å; V14-H17 VanDerWaalsContact O-N 3.09Å; V15-H17 PolarHBondContact O-N 3.45Å; V15-H17 VanDerWaalsContact O-N 3.13Å; H17-Y197 HydrophobicContact CB-CE1 4.03Å; H17-Y197 PolarHBondContact O-OH 3.1Å; H17-K198 HydrophobicContact CB-CG 4.15Å
18S98.4Very high98.6Very high19 Ų1947.6 Ų47.613%0.13322%0.221CC..  trans-67146.2-178.3-176.50000111.1V14 V15 V21 E276V14-S18 WeakPolarHBondContact O-CB 3.28Å; V14-S18 PolarHBondContact O-N 2.96Å; V15-S18 PolarHBondContact O-N 2.92Å; S18-V21 VanDerWaalsContact CB-O 3.28Å; S18-V21 WeakPolarHBondContact CB-O 3.49Å; S18-V21 PolarHBondContact OG-N 2.78Å; S18-V21 PolarHBondContact OG-O 2.79Å; S18-E276 PolarHBondContact OG-OE2 2.62Å
19Q98.2Very high98.6Very high94 Ų9450 Ų5044%0.43923%0.23SC..SBendtrans-116.7-31.7179.8-68.7165.875.100112.1F22 E276Q19-F22 WeakPolarHBondContact O-CZ 3.1Å; Q19-E276 PolarHBondContact N-OE1 3.46Å; Q19-E276 PolarHBondContact N-OE2 3.21Å
20D98.4Very high98.6Very high18 Ų1852.5 Ų52.510%0.09624%0.236CC..SBendtrans-113.8-10.4-173.2-70.4-58000113.5Y253 S254 L257 R272 E276D20-Y253 CarbonylContact O-C 3.35Å; D20-Y253 VanDerWaalsContact O-CA 3.25Å; D20-Y253 WeakPolarHBondContact O-CA 3.48Å; D20-S254 PolarHBondContact O-N 3.38Å; D20-S254 WeakPolarHBondContact OD1-CB 3.25Å; D20-S254 PolarHBondContact OD1-OG 2.99Å; D20-L257 HydrophobicContact CB-CB 3.87Å; D20-L257 HydrophobicContact CB-CD2 3.8Å; D20-L257 HydrophobicContact CB-CG 4.39Å; D20-R272 IonicContact OD2-CZ 3.76Å; D20-R272 IonicContact OD2-NH1 3.51Å; D20-R272 PolarHBondContact OD2-NH1 2.88Å; D20-R272 IonicContact OD2-NH2 2.72Å; D20-R272 PolarHBondContact OD2-NH2 3Å; D20-E276 WeakPolarHBondContact CB-OE2 3.24Å; D20-E276 PolarHBondContact N-OE2 2.73Å
21V98.7Very high98.6Very high2 Ų252.6 Ų52.61%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-128.3127.5179.9-1730000110.8S18 L251 Y253 L257 E276 I277 C280S18-V21 VanDerWaalsContact CB-O 3.28Å; S18-V21 WeakPolarHBondContact CB-O 3.49Å; S18-V21 PolarHBondContact OG-N 2.78Å; S18-V21 PolarHBondContact OG-O 2.79Å; V21-L251 HydrophobicContact CG1-CD2 4.28Å; V21-Y253 HydrophobicContact CB-CD1 4.3Å; V21-Y253 HydrophobicContact CG1-CD1 3.88Å; V21-Y253 HydrophobicContact CG1-CE1 3.81Å; V21-Y253 HydrophobicContact CG2-CD1 3.84Å; V21-Y253 HydrophobicContact CG2-CE1 4.07Å; V21-L257 HydrophobicContact CG2-CD2 3.57Å; V21-E276 HydrophobicContact CB-CB 4.23Å; V21-E276 HydrophobicContact CG2-CB 3.89Å; V21-I277 HydrophobicContact CG2-CB 4.46Å; V21-I277 HydrophobicContact CG2-CG1 3.73Å; V21-C280 HydrophobicContact CB-CB 4.08Å; V21-C280 HydrophobicContact CG1-CB 3.43Å; V21-C280 VanDerWaalsContact CG1-CB 3.43Å; V21-C280 PolarHBondContact O-SG 3.23Å
22F98.7Very high98.6Very high70 Ų7052.6 Ų52.631%0.30724%0.237SC..EExtended strand (participates in β ladder)trans-122.6137.2-174.2-54.3-85.6000110.2Q19 L251 R252Q19-F22 WeakPolarHBondContact O-CZ 3.1Å; F22-L251 CarbonylContact O-C 3.6Å; F22-L251 WeakPolarHBondContact O-CA 3.37Å; F22-R252 PolarHBondContact N-O 2.84Å; F22-R252 PolarHBondContact O-N 3.13Å
23V98.8Very high98.6Very high31 Ų3149.9 Ų49.919%0.18823%0.229CC..EExtended strand (participates in β ladder)trans-89.8117.9170.8-178.80000108.2V15 V28 L251 C280 C284 K287V15-V23 HydrophobicContact CG1-CG2 4.3Å; V15-V23 HydrophobicContact CG2-CG2 3.74Å; V23-V28 HydrophobicContact CG1-CG2 3.67Å; V23-L251 HydrophobicContact CB-CD2 4.47Å; V23-L251 HydrophobicContact CG2-CD2 3.84Å; V23-C280 HydrophobicContact CG2-CB 4.33Å; V23-C284 HydrophobicContact CG1-CB 4.1Å; V23-C284 HydrophobicContact CG2-CB 4.13Å; V23-K287 HydrophobicContact CG1-CD 4.04Å
24E98.7Very high98.6Very high64 Ų6450.9 Ų50.930%0.29924%0.235SC..  trans-96105.7-173.9-67.6-64.116300110E26 G27 V28 G249 A250 R252E24-E26 VanDerWaalsContact C-N 3.32Å; E24-E26 PolarHBondContact O-N 3.17Å; E24-G27 WeakPolarHBondContact O-CA 3.4Å; E24-G27 PolarHBondContact O-N 3.07Å; E24-V28 WeakPolarHBondContact O-CG2 3.23Å; E24-V28 PolarHBondContact O-N 2.81Å; E24-G249 VanDerWaalsContact CB-O 3.31Å; E24-G249 WeakPolarHBondContact CB-O 3.39Å; E24-A250 PolarHBondContact N-O 3.12Å; E24-R252 HydrophobicContact CG-CB 3.77Å; E24-R252 IonicContact OE1-CZ 2.88Å; E24-R252 IonicContact OE1-NE 3.72Å; E24-R252 PolarHBondContact OE1-NE 3.34Å; E24-R252 IonicContact OE1-NH2 3.63Å; E24-R252 PolarHBondContact OE1-NH2 3.22Å; E24-R252 VanDerWaalsContact OE1-NH2 3.16Å
25E98.4Very high98.5Very high54 Ų5450.9 Ų50.925%0.25224%0.235SC..Hα-helixtrans-58.6-39.1-170.2-176.965.2-16800113.5G27 V28 R29 K287 H291E25-G27 VanDerWaalsContact C-N 3.33Å; E25-G27 PolarHBondContact O-N 3.27Å; E25-V28 WeakPolarHBondContact O-CB 3.28Å; E25-V28 PolarHBondContact O-N 3.36Å; E25-R29 VanDerWaalsContact CG-CZ 3.44Å; E25-R29 WeakPolarHBondContact O-CG 3.34Å; E25-R29 PolarHBondContact O-N 2.65Å; E25-R29 IonicContact OE1-CZ 3.68Å; E25-R29 IonicContact OE1-NE 2.76Å; E25-R29 IonicContact OE1-NH2 3Å; E25-R29 PolarHBondContact OE1-NH2 2.86Å; E25-K287 IonicContact OE1-NZ 3.83Å; E25-K287 PolarHBondContact OE1-NZ 3.46Å; E25-K287 WeakPolarHBondContact OE2-CE 3.31Å; E25-K287 IonicContact OE2-NZ 3.45Å; E25-K287 PolarHBondContact OE2-NZ 3.16Å; E25-H291 IonicContact OE1-CD2 3.32Å; E25-H291 IonicContact OE1-CE1 3.3Å; E25-H291 PolarHBondContact OE1-CE1 2.83Å; E25-H291 IonicContact OE1-NE2 2.73Å; E25-H291 PolarHBondContact OE1-NE2 3.28Å
26E98.4Very high98.5Very high117 Ų11750.2 Ų50.255%0.54723%0.228SC..Hα-helixtrans-65.2-38.1176.3-67.7-54.6130.400111.9E24 R29 R30E24-E26 VanDerWaalsContact C-N 3.32Å; E24-E26 PolarHBondContact O-N 3.17Å; E26-R29 PolarHBondContact O-N 3.5Å; E26-R29 IonicContact OE1-NH1 3.51Å; E26-R29 PolarHBondContact OE1-NH1 2.86Å; E26-R30 WeakPolarHBondContact O-CG 3.37Å; E26-R30 PolarHBondContact O-N 3.47Å; E26-R30 PolarHBondContact O-NH1 3.13Å
27G98.7Very high98.5Very high1 Ų148.6 Ų48.61%0.0123%0.234CC..Hα-helixtrans-67.9-42.7174.400000112.6E24 E25 R29 R30 V31 G249E24-G27 WeakPolarHBondContact O-CA 3.4Å; E24-G27 PolarHBondContact O-N 3.07Å; E25-G27 VanDerWaalsContact C-N 3.33Å; E25-G27 PolarHBondContact O-N 3.27Å; G27-R29 VanDerWaalsContact C-N 3.31Å; G27-R29 PolarHBondContact O-N 3.03Å; G27-R30 VanDerWaalsContact CA-NH2 3.33Å; G27-R30 PolarHBondContact O-N 3.09Å; G27-V31 WeakPolarHBondContact O-CG2 3.44Å; G27-V31 PolarHBondContact O-N 3.49Å; G27-G249 VanDerWaalsContact CA-O 3.32Å; G27-G249 WeakPolarHBondContact CA-O 3.26Å
28V98.9Very high98.3Very high0 Ų047 Ų470%023%0.228CC..Hα-helixtrans-53-48.3173.1164.20000111.1V23 E24 E25 V31 A32 A250 K287 I288V23-V28 HydrophobicContact CG1-CG2 3.67Å; E24-V28 WeakPolarHBondContact O-CG2 3.23Å; E24-V28 PolarHBondContact O-N 2.81Å; E25-V28 WeakPolarHBondContact O-CB 3.28Å; E25-V28 PolarHBondContact O-N 3.36Å; V28-V31 PolarHBondContact O-N 3.41Å; V28-A32 PolarHBondContact O-N 2.98Å; V28-A250 HydrophobicContact CG2-CB 4.24Å; V28-K287 HydrophobicContact CG1-CB 3.8Å; V28-K287 HydrophobicContact CG2-CB 4.49Å; V28-I288 HydrophobicContact CB-CG1 4.29Å; V28-I288 HydrophobicContact CG1-CG1 3.93Å; V28-I288 HydrophobicContact CG2-CG1 4.32Å
29R98.8Very high98.1Very high102 Ų10248.8 Ų48.839%0.38523%0.232SC..Hα-helixtrans-64.2-43.2177.8-70.1-177.9-168.5121.19.1112.4E25 E26 G27 V31 A32 E33E25-R29 VanDerWaalsContact CG-CZ 3.44Å; E25-R29 WeakPolarHBondContact O-CG 3.34Å; E25-R29 PolarHBondContact O-N 2.65Å; E25-R29 IonicContact OE1-CZ 3.68Å; E25-R29 IonicContact OE1-NE 2.76Å; E25-R29 IonicContact OE1-NH2 3Å; E25-R29 PolarHBondContact OE1-NH2 2.86Å; E26-R29 PolarHBondContact O-N 3.5Å; E26-R29 IonicContact OE1-NH1 3.51Å; E26-R29 PolarHBondContact OE1-NH1 2.86Å; G27-R29 VanDerWaalsContact C-N 3.31Å; G27-R29 PolarHBondContact O-N 3.03Å; R29-V31 VanDerWaalsContact C-N 3.32Å; R29-V31 PolarHBondContact O-N 2.9Å; R29-A32 PolarHBondContact O-N 3.11Å; R29-E33 WeakPolarHBondContact O-CG 3.5Å; R29-E33 PolarHBondContact O-N 3.49Å
30R98.7Very high97.8Very high134 Ų13452.1 Ų52.151%0.50625%0.245SC..Hα-helixtrans-59.8-41.9176.3-73.6-169.1-51.3-88.31.5112.3E26 G27 E33 M34 L248E26-R30 WeakPolarHBondContact O-CG 3.37Å; E26-R30 PolarHBondContact O-N 3.47Å; E26-R30 PolarHBondContact O-NH1 3.13Å; G27-R30 VanDerWaalsContact CA-NH2 3.33Å; G27-R30 PolarHBondContact O-N 3.09Å; R30-E33 PolarHBondContact O-N 3.36Å; R30-M34 PolarHBondContact O-N 2.88Å; R30-L248 PolarHBondContact NH2-O 3.13Å
31V98.7Very high97.4Very high3 Ų352.9 Ų52.92%0.01825%0.252CS..Hα-helixtrans-67-42.1176.5177.80000110.5G27 V28 R29 E33 M34 L35 L248 A250 I288G27-V31 WeakPolarHBondContact O-CG2 3.44Å; G27-V31 PolarHBondContact O-N 3.49Å; V28-V31 PolarHBondContact O-N 3.41Å; R29-V31 VanDerWaalsContact C-N 3.32Å; R29-V31 PolarHBondContact O-N 2.9Å; V31-E33 VanDerWaalsContact C-N 3.32Å; V31-E33 PolarHBondContact O-N 2.88Å; V31-M34 HydrophobicContact CG1-CE 4.12Å; V31-M34 WeakPolarHBondContact O-CB 3.39Å; V31-M34 PolarHBondContact O-N 2.95Å; V31-L35 HydrophobicContact CG1-CD1 4.25Å; V31-L35 HydrophobicContact CG1-CG 4.36Å; V31-L35 WeakPolarHBondContact O-CG 3.46Å; V31-L35 PolarHBondContact O-N 3.32Å; V31-L248 HydrophobicContact CG2-CB 3.67Å; V31-L248 HydrophobicContact CG2-CD1 3.99Å; V31-L248 HydrophobicContact CG2-CG 4.28Å; V31-A250 HydrophobicContact CG2-CB 4.1Å; V31-I288 HydrophobicContact CB-CD1 4.06Å; V31-I288 HydrophobicContact CB-CG1 4.23Å; V31-I288 HydrophobicContact CG1-CD1 3.75Å; V31-I288 HydrophobicContact CG1-CG1 4.21Å; V31-I288 HydrophobicContact CG1-CG2 3.95Å
32A98.7Very high96.9Very high0 Ų059.2 Ų59.20%028%0.281CS..Hα-helixtrans-59.4-40.8174.700000112.5V28 R29 L35 Y36 I288 H291 L292 L295V28-A32 PolarHBondContact O-N 2.98Å; R29-A32 PolarHBondContact O-N 3.11Å; A32-L35 PolarHBondContact O-N 3.1Å; A32-Y36 WeakPolarHBondContact O-CB 3.45Å; A32-Y36 PolarHBondContact O-N 3.31Å; A32-I288 HydrophobicContact CB-CG2 4.4Å; A32-H291 HydrophobicContact CB-CB 3.56Å; A32-L292 HydrophobicContact CB-CB 4.42Å; A32-L295 HydrophobicContact CB-CD1 4.15Å
33E98.6Very high96.3Very high74 Ų7458.9 Ų58.935%0.34628%0.283SS..Hα-helixtrans-64-42.2173.9-72-75.9-170.200112.5R29 R30 V31 L35 Y36 A37 L295 R299R29-E33 WeakPolarHBondContact O-CG 3.5Å; R29-E33 PolarHBondContact O-N 3.49Å; R30-E33 PolarHBondContact O-N 3.36Å; V31-E33 VanDerWaalsContact C-N 3.32Å; V31-E33 PolarHBondContact O-N 2.88Å; E33-L35 PolarHBondContact O-N 3.4Å; E33-Y36 PolarHBondContact O-N 3.01Å; E33-A37 PolarHBondContact O-N 2.89Å; E33-L295 HydrophobicContact CG-CD1 4.09Å; E33-R299 IonicContact OE1-CZ 2.8Å; E33-R299 IonicContact OE1-NH1 2.73Å; E33-R299 PolarHBondContact OE1-NH1 3.08Å; E33-R299 IonicContact OE1-NH2 3.88Å; E33-R299 PolarHBondContact OE1-NH2 2.89Å; E33-R299 IonicContact OE2-CZ 3.1Å; E33-R299 IonicContact OE2-NH1 2.71Å; E33-R299 PolarHBondContact OE2-NH1 3.41Å; E33-R299 IonicContact OE2-NH2 3.21Å
34M98.2Very high96Very high51 Ų5157.7 Ų57.725%0.25128%0.275SS..Hα-helixtrans-59.1-47.1174.1-179.9-17171.100111R30 V31 A37 L38 L248 Y314R30-M34 PolarHBondContact O-N 2.88Å; V31-M34 HydrophobicContact CG1-CE 4.12Å; V31-M34 WeakPolarHBondContact O-CB 3.39Å; V31-M34 PolarHBondContact O-N 2.95Å; M34-A37 WeakPolarHBondContact O-CB 3.42Å; M34-A37 PolarHBondContact O-N 3.46Å; M34-L38 WeakPolarHBondContact O-CG 3.39Å; M34-L38 PolarHBondContact O-N 3.41Å; M34-L248 HydrophobicContact CE-CD1 4.46Å; M34-L248 HydrophobicContact CE-CD2 4.48Å; M34-L248 HydrophobicContact SD-CD2 4.37Å; M34-Y314 HydrophobicContact CE-CE1 3.7Å
35L98.1Very high95.6Very high0 Ų057.1 Ų57.10%028%0.276CS..Hα-helixtrans-67.3-36.4177.2-63.2179.4000111.9V31 A32 E33 A37 L38 R39 L44 I288 L292 I311 Y314V31-L35 HydrophobicContact CG1-CD1 4.25Å; V31-L35 HydrophobicContact CG1-CG 4.36Å; V31-L35 WeakPolarHBondContact O-CG 3.46Å; V31-L35 PolarHBondContact O-N 3.32Å; A32-L35 PolarHBondContact O-N 3.1Å; E33-L35 PolarHBondContact O-N 3.4Å; L35-A37 VanDerWaalsContact C-N 3.31Å; L35-A37 PolarHBondContact O-N 2.87Å; L35-L38 CarbonylContact O-C 3.53Å; L35-L38 WeakPolarHBondContact O-CA 3.42Å; L35-L38 PolarHBondContact O-N 2.99Å; L35-R39 PolarHBondContact O-N 2.93Å; L35-L44 HydrophobicContact CB-CD1 4.17Å; L35-L44 HydrophobicContact CD2-CD1 4.21Å; L35-L44 HydrophobicContact CD2-CD2 4.03Å; L35-L44 VanDerWaalsContact O-CD1 3.3Å; L35-L44 WeakPolarHBondContact O-CD1 3.31Å; L35-I288 HydrophobicContact CD1-CG2 3.56Å; L35-L292 HydrophobicContact CB-CD1 4.26Å; L35-L292 HydrophobicContact CB-CD2 4.1Å; L35-L292 HydrophobicContact CD1-CD2 4.47Å; L35-I311 HydrophobicContact CD1-CD1 4.3Å; L35-I311 HydrophobicContact CD1-CG1 4.08Å; L35-I311 HydrophobicContact CD1-CG2 3.86Å; L35-Y314 HydrophobicContact CD2-CD1 3.58Å; L35-Y314 HydrophobicContact CD2-CE1 3.76Å; L35-Y314 HydrophobicContact CD2-CG 4.18Å
36Y98.1Very high94.9Very high27 Ų2755.1 Ų55.111%0.10627%0.269CS..Hα-helixtrans-60.2-42173.9175-92.2000110.8A32 E33 L38 R39 L295 V296 R299 D300A32-Y36 WeakPolarHBondContact O-CB 3.45Å; A32-Y36 PolarHBondContact O-N 3.31Å; E33-Y36 PolarHBondContact O-N 3.01Å; Y36-L38 PolarHBondContact O-N 3.49Å; Y36-R39 WeakPolarHBondContact O-CB 3.24Å; Y36-R39 WeakPolarHBondContact O-CD 3.34Å; Y36-R39 WeakPolarHBondContact O-CG 3.26Å; Y36-R39 PolarHBondContact O-N 2.73Å; Y36-R39 PolarHBondContact O-NH1 2.87Å; Y36-R39 PolarHBondContact OH-NH2 2.93Å; Y36-L295 HydrophobicContact CD2-CB 3.74Å; Y36-L295 HydrophobicContact CE2-CB 4.31Å; Y36-L295 WeakPolarHBondContact CE2-O 3.32Å; Y36-L295 HydrophobicContact CG-CB 4.19Å; Y36-L295 HydrophobicContact CG-CD1 4.49Å; Y36-V296 HydrophobicContact CD2-CG2 3.79Å; Y36-V296 HydrophobicContact CE2-CG2 4.05Å; Y36-R299 HydrophobicContact CE2-CB 4.26Å; Y36-R299 VanDerWaalsContact OH-CB 3.23Å; Y36-R299 WeakPolarHBondContact OH-CB 3.39Å; Y36-D300 PolarHBondContact OH-OD1 3.15Å
37A97.2Very high94Very high77 Ų7752.1 Ų52.164%0.63626%0.26SS*.Hα-helixtrans-60.4-31.2174.400000112.5E33 M34 L35E33-A37 PolarHBondContact O-N 2.89Å; M34-A37 WeakPolarHBondContact O-CB 3.42Å; M34-A37 PolarHBondContact O-N 3.46Å; L35-A37 VanDerWaalsContact C-N 3.31Å; L35-A37 PolarHBondContact O-N 2.87Å
38L95.3Very high92.9Very high50 Ų5052.2 Ų52.226%0.26226%0.261SS..Hα-helixtrans-93.5-6-178.9-64.1172.6000114.5M34 L35 Y36 K40 S41 L44 Y314M34-L38 WeakPolarHBondContact O-CG 3.39Å; M34-L38 PolarHBondContact O-N 3.41Å; L35-L38 CarbonylContact O-C 3.53Å; L35-L38 WeakPolarHBondContact O-CA 3.42Å; L35-L38 PolarHBondContact O-N 2.99Å; Y36-L38 PolarHBondContact O-N 3.49Å; L38-K40 PolarHBondContact O-N 3.26Å; L38-S41 WeakPolarHBondContact O-CB 3.33Å; L38-S41 PolarHBondContact O-N 2.92Å; L38-S41 PolarHBondContact O-OG 3.3Å; L38-L44 HydrophobicContact CB-CD1 3.79Å; L38-L44 HydrophobicContact CB-CG 4.48Å; L38-Y314 HydrophobicContact CD1-CD2 4.49Å; L38-Y314 HydrophobicContact CD1-CE2 3.56Å; L38-Y314 WeakPolarHBondContact CD1-OH 3.32Å
39R94.4Very high92.2Very high56 Ų5652.4 Ų52.421%0.21126%0.262CS..THydrogen-bonded Turntrans-56.2-21.4-167.473.1-162.9-179.4-72.37.7116.3L35 Y36 D300 I306L35-R39 PolarHBondContact O-N 2.93Å; Y36-R39 WeakPolarHBondContact O-CB 3.24Å; Y36-R39 WeakPolarHBondContact O-CD 3.34Å; Y36-R39 WeakPolarHBondContact O-CG 3.26Å; Y36-R39 PolarHBondContact O-N 2.73Å; Y36-R39 PolarHBondContact O-NH1 2.87Å; Y36-R39 PolarHBondContact OH-NH2 2.93Å; R39-D300 IonicContact CZ-OD1 3.76Å; R39-D300 IonicContact CZ-OD2 3.85Å; R39-D300 IonicContact NE-OD1 3.71Å; R39-D300 IonicContact NE-OD2 3.42Å; R39-D300 PolarHBondContact NE-OD2 3.11Å; R39-D300 VanDerWaalsContact NH2-CG 3.33Å; R39-D300 IonicContact NH2-OD1 3.53Å; R39-D300 PolarHBondContact NH2-OD1 3.47Å; R39-D300 IonicContact NH2-OD2 3.99Å; R39-D300 PolarHBondContact NH2-OD2 3.32Å; R39-I306 HydrophobicContact CB-CD1 3.82Å
40K91.3Very high91.3Very high164 Ų16454.2 Ų54.271%0.71327%0.273SS*.THydrogen-bonded Turntrans-98.9-1.4177.7-60.6-172.9179.4179.90113.2L38L38-K40 PolarHBondContact O-N 3.26Å
41S91Very high90.3Very high34 Ų3452.6 Ų52.624%0.23827%0.269CS..SBendtrans-81.4158.7177.1750000111L38 D43 L44L38-S41 WeakPolarHBondContact O-CB 3.33Å; L38-S41 PolarHBondContact O-N 2.92Å; L38-S41 PolarHBondContact O-OG 3.3Å; S41-D43 PolarHBondContact O-N 3.43Å; S41-D43 PolarHBondContact OG-N 3.47Å; S41-L44 PolarHBondContact O-N 2.92Å
42E87.9Confident89.3Confident134 Ų13453.1 Ų53.163%0.62627%0.274SS*.G310 helixtrans-65.6-16.9174.5-63.5-176.1168.400113.1L44 T45 S47E42-L44 PolarHBondContact O-N 2.79Å; E42-T45 PolarHBondContact O-N 3.38Å; E42-T45 PolarHBondContact O-OG1 3.02Å; E42-S47 PolarHBondContact O-OG 2.93Å
43D86.6Confident88.7Confident64 Ų6453.5 Ų53.534%0.34228%0.277SS..G310 helixtrans-70.9-17.1-179-60.8-35.9000112.9S41 K51 Y314S41-D43 PolarHBondContact O-N 3.43Å; S41-D43 PolarHBondContact OG-N 3.47Å; D43-K51 IonicContact OD1-NZ 3.37Å; D43-K51 PolarHBondContact OD1-NZ 2.86Å; D43-Y314 HydrophobicContact CB-CD2 4.07Å
44L91.5Very high88.2Confident6 Ų654 Ų543%0.03129%0.286CS..G310 helixtrans-112.947.9175.2-65.1177.2000111.6L35 L38 S41 E42 I306 I310 Y314L35-L44 HydrophobicContact CB-CD1 4.17Å; L35-L44 HydrophobicContact CD2-CD1 4.21Å; L35-L44 HydrophobicContact CD2-CD2 4.03Å; L35-L44 VanDerWaalsContact O-CD1 3.3Å; L35-L44 WeakPolarHBondContact O-CD1 3.31Å; L38-L44 HydrophobicContact CB-CD1 3.79Å; L38-L44 HydrophobicContact CB-CG 4.48Å; S41-L44 PolarHBondContact O-N 2.92Å; E42-L44 PolarHBondContact O-N 2.79Å; L44-I306 HydrophobicContact CB-CD1 4.13Å; L44-I306 HydrophobicContact CD1-CD1 4.22Å; L44-I310 HydrophobicContact CB-CG2 4.09Å; L44-I310 HydrophobicContact CD2-CG2 4.21Å; L44-I310 WeakPolarHBondContact O-CG2 3.41Å; L44-Y314 HydrophobicContact CD2-CD2 4.34Å; L44-Y314 HydrophobicContact CD2-CG 4.03Å
45T89.3Confident88Confident52 Ų5252.1 Ų52.132%0.31928%0.277SS..SBendtrans-135.5167.4176.169.20000110.7E42 S47 G48E42-T45 PolarHBondContact O-N 3.38Å; E42-T45 PolarHBondContact O-OG1 3.02Å; T45-S47 PolarHBondContact O-N 3.17Å; T45-S47 VanDerWaalsContact O-N 3.08Å; T45-S47 WeakPolarHBondContact OG1-CB 3.5Å; T45-S47 PolarHBondContact OG1-N 2.64Å; T45-S47 PolarHBondContact OG1-OG 2.86Å; T45-G48 PolarHBondContact O-N 3.4Å
46A84.5Confident87.7Confident11 Ų1153.1 Ų53.19%0.09129%0.285CS..THydrogen-bonded Turntrans-55.9-24.5172.100000113.1G48 W49 W216 E220A46-G48 PolarHBondContact O-N 3.37Å; A46-G48 VanDerWaalsContact O-N 3.12Å; A46-W49 WeakPolarHBondContact O-CB 3.1Å; A46-W49 PolarHBondContact O-N 2.83Å; A46-W49 VanDerWaalsContact O-N 3.1Å; A46-W216 HydrophobicContact CB-CD2 4.46Å; A46-W216 HydrophobicContact CB-CE3 4.42Å; A46-W216 HydrophobicContact CB-CH2 3.48Å; A46-W216 VanDerWaalsContact CB-CH2 3.48Å; A46-W216 HydrophobicContact CB-CZ2 3.51Å; A46-W216 HydrophobicContact CB-CZ3 3.96Å; A46-E220 HydrophobicContact CB-CB 3.99Å; A46-E220 HydrophobicContact CB-CG 3.71Å
47S78.8Confident87.3Confident54 Ų5453.1 Ų53.138%0.37829%0.288SS..THydrogen-bonded Turntrans-63.5-16.1176.479.50000113.5E42 T45 W49 K50E42-S47 PolarHBondContact O-OG 2.93Å; T45-S47 PolarHBondContact O-N 3.17Å; T45-S47 VanDerWaalsContact O-N 3.08Å; T45-S47 WeakPolarHBondContact OG1-CB 3.5Å; T45-S47 PolarHBondContact OG1-N 2.64Å; T45-S47 PolarHBondContact OG1-OG 2.86Å; S47-W49 PolarHBondContact O-N 2.94Å; S47-K50 WeakPolarHBondContact O-CB 3.49Å; S47-K50 PolarHBondContact O-N 3.27Å
48G77.3Confident86.8Confident3 Ų352.7 Ų52.73%0.03128%0.281CS..Hα-helixtrans-51.9-32.8169.500000112.9T45 A46 K50 K51 A52T45-G48 PolarHBondContact O-N 3.4Å; A46-G48 PolarHBondContact O-N 3.37Å; A46-G48 VanDerWaalsContact O-N 3.12Å; G48-K50 VanDerWaalsContact C-N 3.32Å; G48-K50 PolarHBondContact O-N 3.29Å; G48-K51 WeakPolarHBondContact O-CB 3.42Å; G48-K51 PolarHBondContact O-N 3.02Å; G48-K51 VanDerWaalsContact O-N 3.08Å; G48-A52 PolarHBondContact O-N 3.01Å
49W83Confident86.1Confident4 Ų451.2 Ų51.22%0.01527%0.274CS..Hα-helixtrans-52.6-46.8172.5175.279.2000112.6A46 S47 K51 A52 N53 A56 P59 V68 D214 I218 F313A46-W49 WeakPolarHBondContact O-CB 3.1Å; A46-W49 PolarHBondContact O-N 2.83Å; A46-W49 VanDerWaalsContact O-N 3.1Å; S47-W49 PolarHBondContact O-N 2.94Å; W49-K51 VanDerWaalsContact C-N 3.29Å; W49-K51 PolarHBondContact O-N 2.91Å; W49-A52 PolarHBondContact O-N 2.88Å; W49-N53 VanDerWaalsContact CD1-ND2 3.3Å; W49-N53 HydrophobicContact CZ2-CB 4.3Å; W49-N53 PolarHBondContact NE1-ND2 2.96Å; W49-N53 WeakPolarHBondContact O-CB 3.49Å; W49-N53 PolarHBondContact O-N 2.73Å; W49-N53 PolarHBondContact O-ND2 3.42Å; W49-A56 HydrophobicContact CH2-CB 3.98Å; W49-A56 HydrophobicContact CZ2-CB 4.18Å; W49-P59 HydrophobicContact CZ3-CB 4.12Å; W49-V68 HydrophobicContact CZ2-CG2 3.74Å; W49-D214 PolarHBondContact NE1-OD2 2.61Å; W49-I218 HydrophobicContact CE3-CG1 4.48Å; W49-I218 HydrophobicContact CH2-CD1 4.06Å; W49-I218 HydrophobicContact CH2-CG1 3.55Å; W49-I218 HydrophobicContact CZ2-CD1 3.86Å; W49-I218 HydrophobicContact CZ2-CG1 3.62Å; W49-I218 HydrophobicContact CZ3-CG1 4Å; W49-F313 HydrophobicContact CB-CE2 4.21Å; W49-F313 HydrophobicContact CB-CZ 4.31Å
50K79.6Confident85Confident140 Ų14053.4 Ų53.461%0.60929%0.294SS*.Hα-helixtrans-66-34.2-179.2-172.5-179.1179.5-177.60111.6S47 G48 N53S47-K50 WeakPolarHBondContact O-CB 3.49Å; S47-K50 PolarHBondContact O-N 3.27Å; G48-K50 VanDerWaalsContact C-N 3.32Å; G48-K50 PolarHBondContact O-N 3.29Å; K50-N53 CarbonylContact O-C 3.54Å
51K78.3Confident84.2Confident100 Ų10047.2 Ų47.244%0.43527%0.271SS..Hα-helixtrans-69.8-37.4175.8-62.1-177.4-176.7176.40111.1D43 G48 W49D43-K51 IonicContact OD1-NZ 3.37Å; D43-K51 PolarHBondContact OD1-NZ 2.86Å; G48-K51 WeakPolarHBondContact O-CB 3.42Å; G48-K51 PolarHBondContact O-N 3.02Å; G48-K51 VanDerWaalsContact O-N 3.08Å; W49-K51 VanDerWaalsContact C-N 3.29Å; W49-K51 PolarHBondContact O-N 2.91Å
52A78.6Confident83.6Confident15 Ų1549.8 Ų49.812%0.12428%0.282CS..Hα-helixtrans-72.9-30.5176.500000112.9G48 W49 P54G48-A52 PolarHBondContact O-N 3.01Å; W49-A52 PolarHBondContact O-N 2.88Å; A52-P54 WeakPolarHBondContact O-CD 3.35Å
53N84.5Confident83.5Confident8 Ų848.5 Ų48.54%0.04328%0.276CS..  trans-118.460.3-176.4-67.6-60.3000113.4W49 K50 L55 A56 W67 Y99 D214W49-N53 VanDerWaalsContact CD1-ND2 3.3Å; W49-N53 HydrophobicContact CZ2-CB 4.3Å; W49-N53 PolarHBondContact NE1-ND2 2.96Å; W49-N53 WeakPolarHBondContact O-CB 3.49Å; W49-N53 PolarHBondContact O-N 2.73Å; W49-N53 PolarHBondContact O-ND2 3.42Å; K50-N53 CarbonylContact O-C 3.54Å; N53-L55 PolarHBondContact O-N 3.07Å; N53-L55 VanDerWaalsContact O-N 3.1Å; N53-A56 HydrophobicContact CB-CB 4.2Å; N53-A56 WeakPolarHBondContact O-CB 3.03Å; N53-A56 PolarHBondContact O-N 3.32Å; N53-W67 HydrophobicContact CB-CZ3 4.49Å; N53-Y99 PolarHBondContact OD1-OH 3.01Å; N53-D214 PolarHBondContact ND2-OD2 3.31Å
54P89.5Confident83.7Confident84 Ų8445.5 Ų45.555%0.54526%0.26SS..THydrogen-bonded Turntrans-69.3-10.8-176.130.6-37.3000114.1A52 M100A52-P54 WeakPolarHBondContact O-CD 3.35Å; P54-M100 HydrophobicContact CG-CE 3.64Å
55L93.4Very high83.7Confident12 Ų1245.4 Ų45.46%0.06326%0.26CS..THydrogen-bonded Turntrans-99.3-3.8179.8-64.3180000113.3N53 Y91 Y96 M100 C103 A104 T107N53-L55 PolarHBondContact O-N 3.07Å; N53-L55 VanDerWaalsContact O-N 3.1Å; L55-Y91 HydrophobicContact CD2-CD1 3.65Å; L55-Y91 HydrophobicContact CD2-CE1 3.81Å; L55-Y96 HydrophobicContact CD1-CD1 4.2Å; L55-Y96 HydrophobicContact CD1-CD2 4.18Å; L55-Y96 HydrophobicContact CD1-CE1 4Å; L55-Y96 HydrophobicContact CD1-CE2 3.99Å; L55-Y96 HydrophobicContact CD1-CG 4.28Å; L55-Y96 HydrophobicContact CD2-CE2 4.23Å; L55-Y96 HydrophobicContact CG-CE1 4.5Å; L55-M100 HydrophobicContact CB-CE 4.47Å; L55-M100 HydrophobicContact CD1-CE 3.56Å; L55-M100 HydrophobicContact CG-CE 3.74Å; L55-C103 HydrophobicContact CB-CB 4.12Å; L55-C103 HydrophobicContact CD1-CB 3.96Å; L55-A104 HydrophobicContact CD1-CB 3.73Å; L55-T107 WeakPolarHBondContact O-CG2 3.44Å; L55-T107 PolarHBondContact O-OG1 2.77Å
56A91.9Very high83.9Confident20 Ų2044.6 Ų44.617%0.16525%0.253CS..SBendtrans-67150.2176.300000111W49 N53 W67W49-A56 HydrophobicContact CH2-CB 3.98Å; W49-A56 HydrophobicContact CZ2-CB 4.18Å; N53-A56 HydrophobicContact CB-CB 4.2Å; N53-A56 WeakPolarHBondContact O-CB 3.03Å; N53-A56 PolarHBondContact O-N 3.32Å; A56-W67 HydrophobicContact CB-CD2 4.19Å; A56-W67 HydrophobicContact CB-CE3 3.79Å; A56-W67 HydrophobicContact CB-CH2 4.03Å; A56-W67 HydrophobicContact CB-CZ2 4.36Å; A56-W67 HydrophobicContact CB-CZ3 3.74Å
57P90.6Very high84.4Confident27 Ų2744.1 Ų44.118%0.17525%0.249CC..PPolyproline II helixtrans-54.7163.5167.7-23.933.7000112.1H63 A64 W67 M110P57-H63 HydrophobicContact CB-CB 4.22Å; P57-H63 HydrophobicContact CG-CB 4.39Å; P57-A64 HydrophobicContact CB-CB 4.41Å; P57-W67 VanDerWaalsContact CD-CG 3.42Å; P57-W67 HydrophobicContact CG-CB 3.96Å; P57-W67 HydrophobicContact CG-CG 4.04Å; P57-M110 HydrophobicContact CG-CE 4.01Å; P57-M110 HydrophobicContact CG-SD 4.29Å
58S86Confident85.2Confident68 Ų6841.6 Ų41.648%0.47623%0.231SC..PPolyproline II helixtrans-52.7127.5174.9-1790000110T60 S61S58-T60 PolarHBondContact O-N 3.38Å; S58-T60 PolarHBondContact OG-OG1 3.35Å; S58-S61 PolarHBondContact O-N 3.11Å; S58-S61 PolarHBondContact O-OG 2.71Å
59P79.3Confident86.1Confident20 Ų2041.6 Ų41.613%0.1323%0.231CC..THydrogen-bonded Turntrans-60.7-20-177.124-33.3000111.7W49 S61 I218 A221 R222W49-P59 HydrophobicContact CZ3-CB 4.12Å; P59-S61 PolarHBondContact O-N 2.89Å; P59-I218 HydrophobicContact CB-CG2 4.43Å; P59-A221 HydrophobicContact CB-CB 3.74Å; P59-A221 HydrophobicContact CG-CB 3.84Å; P59-R222 WeakPolarHBondContact O-CG 3.23Å; P59-R222 PolarHBondContact O-NE 3.46Å; P59-R222 PolarHBondContact O-NH2 3.27Å
60T72.6Confident86.9Confident102 Ų10241.4 Ų41.463%0.62623%0.23SC*.THydrogen-bonded Turntrans-70.3-5.7177.158.60000115.3S58S58-T60 PolarHBondContact O-N 3.38Å; S58-T60 PolarHBondContact OG-OG1 3.35Å
61S74.8Confident87.7Confident34 Ų3434.7 Ų34.724%0.23820%0.201CC..SBendtrans-114.5145.4-179.8700000111.7S58 P59 H63 A64 R222S58-S61 PolarHBondContact O-N 3.11Å; S58-S61 PolarHBondContact O-OG 2.71Å; P59-S61 PolarHBondContact O-N 2.89Å; S61-H63 PolarHBondContact O-N 3.34Å; S61-H63 VanDerWaalsContact O-N 3.08Å; S61-A64 WeakPolarHBondContact O-CB 3.43Å; S61-A64 PolarHBondContact O-N 2.88Å; S61-R222 PolarHBondContact O-NH2 3.45Å
62D78.7Confident88.6Confident87 Ų8730 Ų3047%0.46518%0.18SC..Hα-helixtrans-62.3-15.4175.9-74.9-8.7000113.1A64 L65 N66 R222D62-A64 PolarHBondContact O-N 3.41Å; D62-L65 PolarHBondContact O-N 3.27Å; D62-N66 PolarHBondContact O-N 2.82Å; D62-R222 IonicContact OD1-CZ 3.87Å; D62-R222 IonicContact OD1-NH1 3.81Å; D62-R222 PolarHBondContact OD1-NH1 2.99Å; D62-R222 IonicContact OD1-NH2 3.12Å; D62-R222 PolarHBondContact OD1-NH2 3.21Å
63H85.9Confident89.5Confident108 Ų10829.2 Ų29.250%0.517%0.174SC..Hα-helixtrans-58.5-33.4168.3-63-65.7000113P57 S61 W67 M110P57-H63 HydrophobicContact CB-CB 4.22Å; P57-H63 HydrophobicContact CG-CB 4.39Å; S61-H63 PolarHBondContact O-N 3.34Å; S61-H63 VanDerWaalsContact O-N 3.08Å; H63-W67 WeakPolarHBondContact O-CB 3.4Å; H63-W67 PolarHBondContact O-N 3Å; H63-M110 HydrophobicContact CB-CE 4.24Å
64A89.9Confident90.2Very high0 Ų028.9 Ų28.90%017%0.172CC..Hα-helixtrans-65.7-39.9176.800000111.9P57 S61 D62 W67 V68 I218P57-A64 HydrophobicContact CB-CB 4.41Å; S61-A64 WeakPolarHBondContact O-CB 3.43Å; S61-A64 PolarHBondContact O-N 2.88Å; D62-A64 PolarHBondContact O-N 3.41Å; A64-W67 PolarHBondContact O-N 2.78Å; A64-V68 WeakPolarHBondContact O-CB 3.41Å; A64-V68 WeakPolarHBondContact O-CG2 3.28Å; A64-V68 PolarHBondContact O-N 3.27Å; A64-I218 HydrophobicContact CB-CD1 3.89Å; A64-I218 HydrophobicContact CB-CG1 4.46Å
65L91.2Very high90.5Very high5 Ų525.8 Ų25.83%0.02615%0.151CC..Hα-helixtrans-66-44.1178.2-66.8174.6000111.5D62 V68 F69 F215 I218D62-L65 PolarHBondContact O-N 3.27Å; L65-V68 PolarHBondContact O-N 3.35Å; L65-F69 PolarHBondContact O-N 3.44Å; L65-F215 HydrophobicContact CD1-CE2 4.36Å; L65-F215 HydrophobicContact CD2-CD2 3.46Å; L65-F215 VanDerWaalsContact CD2-CD2 3.46Å; L65-F215 HydrophobicContact CD2-CE2 3.63Å; L65-I218 HydrophobicContact CD2-CB 4.02Å; L65-I218 HydrophobicContact CD2-CD1 3.81Å; L65-I218 HydrophobicContact CD2-CG2 3.69Å; L65-I218 HydrophobicContact CG-CD1 4.41Å; L65-I218 HydrophobicContact CG-CG2 4.13Å
66N92.9Very high90.6Very high35 Ų3525.2 Ų25.219%0.18715%0.148CC..Hα-helixtrans-68.3-37.6177.9-66.2-20.2000111.7D62 F69 V70D62-N66 PolarHBondContact O-N 2.82Å; N66-F69 PolarHBondContact O-N 2.99Å; N66-V70 WeakPolarHBondContact O-CG2 3.49Å; N66-V70 PolarHBondContact O-N 3.05Å
67W96.2Very high90.7Very high0 Ų024.2 Ų24.20%014%0.14CC..Hα-helixtrans-61.8-46.7173.6-176.497.8000111.5N53 A56 P57 H63 A64 F69 V70 V71 C103 I106 T107 M110 T117N53-W67 HydrophobicContact CB-CZ3 4.49Å; A56-W67 HydrophobicContact CB-CD2 4.19Å; A56-W67 HydrophobicContact CB-CE3 3.79Å; A56-W67 HydrophobicContact CB-CH2 4.03Å; A56-W67 HydrophobicContact CB-CZ2 4.36Å; A56-W67 HydrophobicContact CB-CZ3 3.74Å; P57-W67 VanDerWaalsContact CD-CG 3.42Å; P57-W67 HydrophobicContact CG-CB 3.96Å; P57-W67 HydrophobicContact CG-CG 4.04Å; H63-W67 WeakPolarHBondContact O-CB 3.4Å; H63-W67 PolarHBondContact O-N 3Å; A64-W67 PolarHBondContact O-N 2.78Å; W67-F69 VanDerWaalsContact C-N 3.35Å; W67-F69 PolarHBondContact O-N 2.87Å; W67-V70 PolarHBondContact O-N 2.85Å; W67-V71 HydrophobicContact CD2-CG2 3.8Å; W67-V71 HydrophobicContact CE3-CB 4.26Å; W67-V71 HydrophobicContact CE3-CG2 3.95Å; W67-V71 HydrophobicContact CG-CG2 4.49Å; W67-V71 HydrophobicContact CH2-CB 4.24Å; W67-V71 HydrophobicContact CH2-CG1 4.09Å; W67-V71 HydrophobicContact CH2-CG2 3.81Å; W67-V71 HydrophobicContact CZ2-CG2 3.67Å; W67-V71 HydrophobicContact CZ3-CB 4.06Å; W67-V71 HydrophobicContact CZ3-CG1 4.2Å; W67-V71 HydrophobicContact CZ3-CG2 3.94Å; W67-V71 WeakPolarHBondContact O-CG2 3.13Å; W67-V71 PolarHBondContact O-N 3.21Å; W67-C103 HydrophobicContact CH2-CB 3.99Å; W67-C103 HydrophobicContact CZ2-CB 3.75Å; W67-I106 HydrophobicContact CG-CG2 4.45Å; W67-T107 PolarHBondContact NE1-OG1 2.9Å; W67-M110 VanDerWaalsContact CD1-SD 3.58Å; W67-M110 HydrophobicContact CG-SD 4.49Å; W67-T117 HydrophobicContact CB-CG2 4.29Å
68V95.2Very high90.8Very high1 Ų123.7 Ų23.71%0.00614%0.135CC..Hα-helixtrans-57.4-47.8176.9156.70000110.7W49 A64 L65 V70 V71 D72 L211 D214 I218W49-V68 HydrophobicContact CZ2-CG2 3.74Å; A64-V68 WeakPolarHBondContact O-CB 3.41Å; A64-V68 WeakPolarHBondContact O-CG2 3.28Å; A64-V68 PolarHBondContact O-N 3.27Å; L65-V68 PolarHBondContact O-N 3.35Å; V68-V70 VanDerWaalsContact C-N 3.32Å; V68-V70 PolarHBondContact O-N 2.89Å; V68-V71 PolarHBondContact O-N 3.26Å; V68-D72 WeakPolarHBondContact CG1-OD2 3.15Å; V68-D72 VanDerWaalsContact O-CB 3.32Å; V68-D72 WeakPolarHBondContact O-CB 3.36Å; V68-D72 PolarHBondContact O-N 3.48Å; V68-L211 HydrophobicContact CG1-CD1 3.86Å; V68-D214 HydrophobicContact CG1-CB 3.61Å; V68-D214 HydrophobicContact CG2-CB 4.22Å; V68-I218 HydrophobicContact CB-CD1 4.12Å; V68-I218 HydrophobicContact CG2-CD1 3.47Å; V68-I218 VanDerWaalsContact CG2-CD1 3.47Å
69F96.9Very high90.8Very high3 Ų321 Ų211%0.01311%0.114CC..Hα-helixtrans-55.3-48.1177.4-178.1-93.6000112L65 N66 W67 T73 F122 L159 F166 L188 L211L65-F69 PolarHBondContact O-N 3.44Å; N66-F69 PolarHBondContact O-N 2.99Å; W67-F69 VanDerWaalsContact C-N 3.35Å; W67-F69 PolarHBondContact O-N 2.87Å; F69-T73 WeakPolarHBondContact O-CB 3.38Å; F69-T73 PolarHBondContact O-N 3.17Å; F69-T73 PolarHBondContact O-OG1 3.48Å; F69-F122 AromaticContact CD1-CZ 3.98Å; F69-F122 HydrophobicContact CD1-CZ 3.98Å; F69-F122 HydrophobicContact CE1-CE2 4.06Å; F69-F122 AromaticContact CE1-CZ 3.89Å; F69-F122 HydrophobicContact CE1-CZ 3.89Å; F69-L159 HydrophobicContact CD1-CD1 3.68Å; F69-L159 HydrophobicContact CD2-CD1 4.25Å; F69-L159 HydrophobicContact CE1-CD1 3.43Å; F69-L159 VanDerWaalsContact CE1-CD1 3.43Å; F69-L159 HydrophobicContact CE1-CG 4.11Å; F69-L159 HydrophobicContact CE2-CD1 4.02Å; F69-L159 HydrophobicContact CE2-CD2 4.15Å; F69-L159 HydrophobicContact CE2-CG 4.26Å; F69-L159 HydrophobicContact CG-CD1 4.09Å; F69-L159 HydrophobicContact CZ-CD1 3.61Å; F69-L159 HydrophobicContact CZ-CD2 4.21Å; F69-L159 HydrophobicContact CZ-CG 3.83Å; F69-F166 HydrophobicContact CB-CB 4.06Å; F69-F166 HydrophobicContact CB-CG 4.23Å; F69-F166 HydrophobicContact CD2-CB 3.97Å; F69-F166 AromaticContact CD2-CD2 3.39Å; F69-F166 HydrophobicContact CD2-CD2 3.39Å; F69-F166 HydrophobicContact CD2-CE2 4.04Å; F69-F166 AromaticContact CD2-CG 3.73Å; F69-F166 HydrophobicContact CD2-CG 3.73Å; F69-F166 AromaticContact CE2-CD2 3.84Å; F69-F166 HydrophobicContact CE2-CD2 3.84Å; F69-F166 HydrophobicContact CE2-CE2 4.4Å; F69-F166 HydrophobicContact CG-CB 4.15Å; F69-F166 HydrophobicContact CG-CD2 4.36Å; F69-F166 HydrophobicContact CG-CG 4.3Å; F69-L188 HydrophobicContact CE2-CD1 4.27Å; F69-L211 HydrophobicContact CD2-CD1 4.36Å; F69-L211 HydrophobicContact CD2-CD2 4.02Å; F69-L211 HydrophobicContact CE2-CD2 4.27Å
70V98.1Very high91.1Very high0 Ų021.4 Ų21.40%012%0.117CC..Hα-helixtrans-63.8-47-179.3171.50000111.7N66 W67 V68 M74 I106 T117 F122 L152N66-V70 WeakPolarHBondContact O-CG2 3.49Å; N66-V70 PolarHBondContact O-N 3.05Å; W67-V70 PolarHBondContact O-N 2.85Å; V68-V70 VanDerWaalsContact C-N 3.32Å; V68-V70 PolarHBondContact O-N 2.89Å; V70-M74 HydrophobicContact CG1-CE 3.36Å; V70-M74 VanDerWaalsContact O-CE 3.26Å; V70-M74 WeakPolarHBondContact O-CE 3.34Å; V70-M74 PolarHBondContact O-N 3.08Å; V70-I106 HydrophobicContact CG1-CD1 3.89Å; V70-I106 HydrophobicContact CG1-CG1 4.22Å; V70-I106 HydrophobicContact CG1-CG2 4.25Å; V70-T117 HydrophobicContact CG2-CG2 4.3Å; V70-F122 HydrophobicContact CG2-CD1 4.23Å; V70-F122 HydrophobicContact CG2-CE1 3.88Å; V70-F122 HydrophobicContact CG2-CZ 4.41Å; V70-L152 HydrophobicContact CB-CD1 4.4Å; V70-L152 HydrophobicContact CG1-CD1 4.29Å; V70-L152 HydrophobicContact CG1-CD2 4.17Å; V70-L152 HydrophobicContact CG2-CD1 4.14Å
71V97.6Very high91.4Very high0 Ų025 Ų250%013%0.127CC..Hα-helixtrans-68.4-45.6-177.3171.60000111.3W67 V68 T73 M74 N75 Y99 L102 I106W67-V71 HydrophobicContact CD2-CG2 3.8Å; W67-V71 HydrophobicContact CE3-CB 4.26Å; W67-V71 HydrophobicContact CE3-CG2 3.95Å; W67-V71 HydrophobicContact CG-CG2 4.49Å; W67-V71 HydrophobicContact CH2-CB 4.24Å; W67-V71 HydrophobicContact CH2-CG1 4.09Å; W67-V71 HydrophobicContact CH2-CG2 3.81Å; W67-V71 HydrophobicContact CZ2-CG2 3.67Å; W67-V71 HydrophobicContact CZ3-CB 4.06Å; W67-V71 HydrophobicContact CZ3-CG1 4.2Å; W67-V71 HydrophobicContact CZ3-CG2 3.94Å; W67-V71 WeakPolarHBondContact O-CG2 3.13Å; W67-V71 PolarHBondContact O-N 3.21Å; V68-V71 PolarHBondContact O-N 3.26Å; V71-T73 VanDerWaalsContact C-N 3.35Å; V71-T73 PolarHBondContact O-N 2.94Å; V71-M74 CarbonylContact O-C 3.57Å; V71-M74 WeakPolarHBondContact O-CA 3.45Å; V71-M74 PolarHBondContact O-N 3.36Å; V71-N75 WeakPolarHBondContact O-CB 3.27Å; V71-N75 PolarHBondContact O-N 3.18Å; V71-Y99 HydrophobicContact CG1-CE2 3.53Å; V71-Y99 VanDerWaalsContact CG1-OH 3.24Å; V71-Y99 WeakPolarHBondContact CG1-OH 3.31Å; V71-L102 HydrophobicContact CG1-CD2 4.09Å; V71-I106 HydrophobicContact CG2-CB 4.25Å; V71-I106 HydrophobicContact CG2-CG1 4.05Å; V71-I106 HydrophobicContact CG2-CG2 4.34Å
72D97.1Very high91.6Very high0 Ų029.8 Ų29.80%014%0.14CC..Hα-helixtrans-68.2-34.8178.9-73.1-19.1000112.7V68 M74 N75 I210 L211V68-D72 WeakPolarHBondContact CG1-OD2 3.15Å; V68-D72 VanDerWaalsContact O-CB 3.32Å; V68-D72 WeakPolarHBondContact O-CB 3.36Å; V68-D72 PolarHBondContact O-N 3.48Å; D72-M74 PolarHBondContact O-N 2.61Å; D72-N75 WeakPolarHBondContact O-CB 3.03Å; D72-N75 PolarHBondContact O-N 3.07Å; D72-N75 VanDerWaalsContact O-N 3.16Å; D72-I210 HydrophobicContact CB-CG2 4.47Å; D72-I210 VanDerWaalsContact OD1-CG2 3.31Å; D72-I210 WeakPolarHBondContact OD1-CG2 3.22Å; D72-L211 HydrophobicContact CB-CB 4.31Å; D72-L211 HydrophobicContact CB-CD1 4.19Å; D72-L211 WeakPolarHBondContact OD2-CA 3.35Å
73T98.3Very high91.5Very high0 Ų033.9 Ų33.90%016%0.156CC..Hα-helixtrans-59.3-30.3171-61.20000111.2F69 V71 F76 V151 L152 Y191 R207F69-T73 WeakPolarHBondContact O-CB 3.38Å; F69-T73 PolarHBondContact O-N 3.17Å; F69-T73 PolarHBondContact O-OG1 3.48Å; V71-T73 VanDerWaalsContact C-N 3.35Å; V71-T73 PolarHBondContact O-N 2.94Å; T73-F76 WeakPolarHBondContact O-CE1 3.41Å; T73-V151 HydrophobicContact CG2-CB 4.15Å; T73-V151 HydrophobicContact CG2-CG2 3.81Å; T73-V151 WeakPolarHBondContact O-CG2 3.43Å; T73-L152 HydrophobicContact CG2-CB 4.31Å; T73-L152 HydrophobicContact CG2-CD1 4.19Å; T73-Y191 WeakPolarHBondContact CA-OH 3.4Å; T73-Y191 PolarHBondContact N-OH 3.03Å; T73-Y191 PolarHBondContact OG1-OH 3.43Å; T73-R207 PolarHBondContact O-NH1 3.12Å
74M98.1Very high91.3Very high0 Ų034.1 Ų34.10%016%0.161CC..THydrogen-bonded Turntrans-103.39.8178.6-68.6-177.3-72.800114V70 V71 D72 F76 F78 L102 I106 L130 L134 R148 L152V70-M74 HydrophobicContact CG1-CE 3.36Å; V70-M74 VanDerWaalsContact O-CE 3.26Å; V70-M74 WeakPolarHBondContact O-CE 3.34Å; V70-M74 PolarHBondContact O-N 3.08Å; V71-M74 CarbonylContact O-C 3.57Å; V71-M74 WeakPolarHBondContact O-CA 3.45Å; V71-M74 PolarHBondContact O-N 3.36Å; D72-M74 PolarHBondContact O-N 2.61Å; M74-F76 VanDerWaalsContact C-N 3.33Å; M74-F76 PolarHBondContact O-N 3.12Å; M74-F78 WeakPolarHBondContact O-CZ 3.18Å; M74-L102 HydrophobicContact CB-CD1 4.17Å; M74-L102 HydrophobicContact CB-CD2 3.65Å; M74-L102 HydrophobicContact CE-CD1 3.97Å; M74-L102 HydrophobicContact SD-CD1 4.31Å; M74-I106 HydrophobicContact CE-CD1 3.79Å; M74-I106 HydrophobicContact CE-CG1 4.38Å; M74-L130 HydrophobicContact SD-CD1 4.37Å; M74-L130 HydrophobicContact SD-CD2 4.47Å; M74-L134 HydrophobicContact SD-CD1 4.21Å; M74-R148 HydrophobicContact CB-CG 4.16Å; M74-R148 HydrophobicContact CG-CB 3.96Å; M74-R148 HydrophobicContact CG-CG 3.96Å; M74-R148 PolarHBondContact O-NH1 3.3Å; M74-R148 HydrophobicContact SD-CB 3.88Å; M74-R148 HydrophobicContact SD-CG 4.24Å; M74-L152 HydrophobicContact CE-CD2 3.69Å; M74-L152 HydrophobicContact SD-CD2 3.9Å
75N96.1Very high91.2Very high19 Ų1937.9 Ų37.910%0.10218%0.179CC..  trans-80.770.7-173.3-169.9-9.1000113.6V71 D72 F78 Y99 K206V71-N75 WeakPolarHBondContact O-CB 3.27Å; V71-N75 PolarHBondContact O-N 3.18Å; D72-N75 WeakPolarHBondContact O-CB 3.03Å; D72-N75 PolarHBondContact O-N 3.07Å; D72-N75 VanDerWaalsContact O-N 3.16Å; N75-F78 WeakPolarHBondContact OD1-CE2 3.48Å; N75-Y99 HydrophobicContact CB-CE2 4.32Å; N75-K206 PolarHBondContact O-NZ 2.86Å; N75-K206 VanDerWaalsContact O-NZ 3.1Å
76F95.9Very high91.2Very high0 Ų040.8 Ų40.80%019%0.192CC..SBendtrans-155.7150.6178.356.8-89.8000111.3T73 M74 M144 E147 R148 V151 R207 C336 I337 Y339T73-F76 WeakPolarHBondContact O-CE1 3.41Å; M74-F76 VanDerWaalsContact C-N 3.33Å; M74-F76 PolarHBondContact O-N 3.12Å; F76-M144 HydrophobicContact CD2-SD 4.01Å; F76-M144 HydrophobicContact CE2-CB 4.06Å; F76-M144 HydrophobicContact CE2-CE 4.18Å; F76-M144 HydrophobicContact CE2-SD 4.04Å; F76-E147 HydrophobicContact CE2-CB 4.2Å; F76-E147 HydrophobicContact CZ-CB 4.3Å; F76-R148 HydrophobicContact CE1-CG 4.29Å; F76-R148 HydrophobicContact CE2-CG 4.15Å; F76-R148 HydrophobicContact CZ-CB 4.47Å; F76-R148 HydrophobicContact CZ-CG 3.65Å; F76-R148 VanDerWaalsContact O-CZ 3.23Å; F76-R148 PolarHBondContact O-NH1 3.37Å; F76-R148 PolarHBondContact O-NH2 3.06Å; F76-V151 HydrophobicContact CE1-CG2 3.88Å; F76-V151 HydrophobicContact CZ-CG2 4.11Å; F76-R207 VanDerWaalsContact CD1-NH1 3.27Å; F76-C336 WeakPolarHBondContact CD2-O 3.45Å; F76-I337 WeakPolarHBondContact CB-O 3.22Å; F76-I337 WeakPolarHBondContact CD1-O 3.25Å; F76-I337 HydrophobicContact CD2-CB 4.36Å; F76-I337 HydrophobicContact CD2-CG2 4.46Å; F76-I337 HydrophobicContact CE1-CB 4.45Å; F76-I337 HydrophobicContact CE2-CB 4.2Å; F76-I337 HydrophobicContact CE2-CG2 3.9Å; F76-I337 WeakPolarHBondContact CG-O 3.37Å; F76-I337 HydrophobicContact CZ-CB 4.24Å; F76-I337 HydrophobicContact CZ-CG2 4.03Å; F76-Y339 CarbonylContact C-O 3.58Å; F76-Y339 VanDerWaalsContact CA-O 3.26Å; F76-Y339 WeakPolarHBondContact CA-O 3.48Å; F76-Y339 VanDerWaalsContact CB-O 3.27Å; F76-Y339 WeakPolarHBondContact CB-O 2.98Å
77S93.6Very high91.3Very high0 Ų039.8 Ų39.80%019%0.188CC..  trans62.249162.3-690000117W79 P143 M144 R335 C336 Y339S77-W79 VanDerWaalsContact CA-CH2 3.49Å; S77-W79 VanDerWaalsContact OG-CH2 3.22Å; S77-W79 WeakPolarHBondContact OG-CH2 3.09Å; S77-P143 WeakPolarHBondContact O-CB 3.11Å; S77-M144 WeakPolarHBondContact CB-SD 3.37Å; S77-M144 PolarHBondContact OG-SD 3.32Å; S77-M144 VanDerWaalsContact OG-SD 3.32Å; S77-R335 PolarHBondContact O-NH1 3Å; S77-C336 PolarHBondContact OG-N 2.65Å; S77-C336 PolarHBondContact OG-O 2.9Å; S77-Y339 PolarHBondContact N-O 3.49Å; S77-Y339 PolarHBondContact OG-O 3.03Å
78F92.2Very high91.3Very high16 Ų1642.3 Ų42.37%0.0720%0.199CC..  trans-89-14.1-179.7-60.5-70.5000115.8M74 N75 Y99 L102 M142M74-F78 WeakPolarHBondContact O-CZ 3.18Å; N75-F78 WeakPolarHBondContact OD1-CE2 3.48Å; F78-Y99 HydrophobicContact CD2-CD2 4.49Å; F78-Y99 AromaticContact CE2-CD2 3.7Å; F78-Y99 HydrophobicContact CE2-CD2 3.7Å; F78-Y99 HydrophobicContact CE2-CG 4.34Å; F78-Y99 AromaticContact CZ-CD2 3.88Å; F78-Y99 HydrophobicContact CZ-CD2 3.88Å; F78-L102 HydrophobicContact CE1-CB 3.69Å; F78-L102 HydrophobicContact CE1-CD2 3.92Å; F78-L102 HydrophobicContact CE1-CG 4.4Å; F78-L102 HydrophobicContact CZ-CB 4.11Å; F78-L102 HydrophobicContact CZ-CD2 3.63Å; F78-M142 HydrophobicContact CD1-SD 4.22Å; F78-M142 HydrophobicContact CE1-SD 4.26Å
79W86.8Confident91.4Very high10 Ų1042.2 Ų42.24%0.03820%0.199CC..SBendtrans-70143.9178.965.791.6000110S77 Y239 I331 H333 T334 R335 Y339S77-W79 VanDerWaalsContact CA-CH2 3.49Å; S77-W79 VanDerWaalsContact OG-CH2 3.22Å; S77-W79 WeakPolarHBondContact OG-CH2 3.09Å; W79-Y239 AromaticContact CE3-CD1 3.77Å; W79-Y239 HydrophobicContact CE3-CD1 3.77Å; W79-Y239 AromaticContact CE3-CE1 3.65Å; W79-Y239 HydrophobicContact CE3-CE1 3.65Å; W79-Y239 HydrophobicContact CE3-CG 4.4Å; W79-Y239 AromaticContact CZ3-CD1 3.96Å; W79-Y239 HydrophobicContact CZ3-CD1 3.96Å; W79-Y239 HydrophobicContact CZ3-CE1 4.07Å; W79-I331 HydrophobicContact CB-CD1 4.41Å; W79-H333 AromaticContact CD1-CD2 3.26Å; W79-H333 AromaticContact CD1-CG 3.99Å; W79-H333 AromaticContact CD1-NE2 3.75Å; W79-H333 AromaticContact CG-CD2 3.68Å; W79-H333 AromaticContact NE1-CD2 3.45Å; W79-H333 PolarHBondContact NE1-CD2 3.22Å; W79-H333 AromaticContact NE1-CG 3.83Å; W79-T334 WeakPolarHBondContact CH2-O 3.2Å; W79-T334 VanDerWaalsContact CZ2-C 3.49Å; W79-T334 VanDerWaalsContact CZ2-O 3.27Å; W79-T334 WeakPolarHBondContact CZ2-O 3.17Å; W79-R335 PolarHBondContact O-NH1 2.94Å; W79-R335 PolarHBondContact O-NH2 3.34Å; W79-Y339 HydrophobicContact CE3-CE1 4.22Å; W79-Y339 AromaticContact CH2-CD1 3.27Å; W79-Y339 HydrophobicContact CH2-CD1 3.27Å; W79-Y339 AromaticContact CH2-CE1 3.55Å; W79-Y339 HydrophobicContact CH2-CE1 3.55Å; W79-Y339 HydrophobicContact CZ2-CD1 4.27Å; W79-Y339 HydrophobicContact CZ2-CE1 4.29Å; W79-Y339 AromaticContact CZ3-CD1 3.35Å; W79-Y339 HydrophobicContact CZ3-CD1 3.35Å; W79-Y339 AromaticContact CZ3-CE1 3.4Å; W79-Y339 HydrophobicContact CZ3-CE1 3.4Å; W79-Y339 VanDerWaalsContact CZ3-CE1 3.4Å
80P84.6Confident91.4Very high30 Ų3044.8 Ų44.820%0.19522%0.215CC..  trans-74.8164.9-179.336.9-41.2000111.3R82 Q85 Q86P80-R82 VanDerWaalsContact C-N 3.28Å; P80-R82 WeakPolarHBondContact CB-O 3.27Å; P80-R82 VanDerWaalsContact CG-O 3.22Å; P80-R82 WeakPolarHBondContact CG-O 3.31Å; P80-Q85 WeakPolarHBondContact CB-O 3.34Å; P80-Q86 HydrophobicContact CB-CG 4.03Å; P80-Q86 HydrophobicContact CG-CG 3.75Å
81E79.2Confident91.3Very high176 Ų17645.8 Ų45.882%0.82222%0.219SC*.SBendtrans-69-31.8167.7-67.1-175.1175.900111.7
82R79.5Confident91.2Very high135 Ų13554.9 Ų54.951%0.50925%0.253SS..SBendtrans-134.7139.2175.2-62.317146.1160.80.3110P80 D84 Q85P80-R82 VanDerWaalsContact C-N 3.28Å; P80-R82 WeakPolarHBondContact CB-O 3.27Å; P80-R82 VanDerWaalsContact CG-O 3.22Å; P80-R82 WeakPolarHBondContact CG-O 3.31Å; R82-D84 WeakPolarHBondContact CB-OD1 3.31Å; R82-D84 IonicContact CZ-OD1 3.16Å; R82-D84 IonicContact CZ-OD2 3.39Å; R82-D84 IonicContact NE-OD1 2.94Å; R82-D84 PolarHBondContact NE-OD1 3.37Å; R82-D84 IonicContact NE-OD2 3.46Å; R82-D84 IonicContact NH2-OD1 2.64Å; R82-D84 PolarHBondContact NH2-OD1 3.47Å; R82-D84 IonicContact NH2-OD2 2.73Å; R82-D84 PolarHBondContact NH2-OD2 3.01Å; R82-D84 PolarHBondContact O-N 3.33Å; R82-Q85 HydrophobicContact CB-CB 4.32Å; R82-Q85 HydrophobicContact CB-CG 4.33Å; R82-Q85 PolarHBondContact O-N 3.05Å
83E77Confident91Very high174 Ų17458.3 Ų58.381%0.81329%0.289SS*.THydrogen-bonded Turntrans-57.2-28.6-176.3-69.3-169.2162.600114Q85 Q86E83-Q85 VanDerWaalsContact C-N 3.32Å; E83-Q86 PolarHBondContact O-NE2 3.04Å
84D81.8Confident91Very high112 Ų11261.6 Ų61.660%0.59931%0.309SS*.THydrogen-bonded Turntrans-83.3-2.4177.966.2-30.1000114.3R82R82-D84 WeakPolarHBondContact CB-OD1 3.31Å; R82-D84 IonicContact CZ-OD1 3.16Å; R82-D84 IonicContact CZ-OD2 3.39Å; R82-D84 IonicContact NE-OD1 2.94Å; R82-D84 PolarHBondContact NE-OD1 3.37Å; R82-D84 IonicContact NE-OD2 3.46Å; R82-D84 IonicContact NH2-OD1 2.64Å; R82-D84 PolarHBondContact NH2-OD1 3.47Å; R82-D84 IonicContact NH2-OD2 2.73Å; R82-D84 PolarHBondContact NH2-OD2 3.01Å; R82-D84 PolarHBondContact O-N 3.33Å
85Q87.6Confident90.9Very high79 Ų7964.2 Ų64.237%0.36933%0.325SS..  trans-123.869.6-178-64.5-173.9-20.900110P80 R82 E83 T140P80-Q85 WeakPolarHBondContact CB-O 3.34Å; R82-Q85 HydrophobicContact CB-CB 4.32Å; R82-Q85 HydrophobicContact CB-CG 4.33Å; R82-Q85 PolarHBondContact O-N 3.05Å; E83-Q85 VanDerWaalsContact C-N 3.32Å; Q85-T140 HydrophobicContact CB-CG2 4.27Å; Q85-T140 WeakPolarHBondContact O-CG2 3.42Å
86Q91.6Very high90.9Very high67 Ų6765.5 Ų65.531%0.31333%0.329SS..  trans-95.8141.4178.5-68.3-178.433.300111.4P80 E83 E88 Y97 N138 T140P80-Q86 HydrophobicContact CB-CG 4.03Å; P80-Q86 HydrophobicContact CG-CG 3.75Å; E83-Q86 PolarHBondContact O-NE2 3.04Å; Q86-E88 PolarHBondContact O-N 3.25Å; Q86-Y97 HydrophobicContact CB-CD1 4Å; Q86-Y97 VanDerWaalsContact OE1-CD1 3.27Å; Q86-N138 PolarHBondContact O-ND2 3.06Å; Q86-N138 PolarHBondContact O-OD1 3.35Å; Q86-T140 WeakPolarHBondContact O-CB 3.44Å
87C94.6Very high90.7Very high13 Ų1370.5 Ų70.59%0.08835%0.349CS..  trans-72.7123.4170.2-174.30000109.6T101 M142C87-T101 HydrophobicContact CB-CG2 4.33Å; C87-T101 WeakPolarHBondContact O-CG2 3.45Å; C87-T101 PolarHBondContact O-OG1 3.42Å; C87-M142 PolarHBondContact SG-N 2.96Å; C87-M142 VanDerWaalsContact SG-N 3.41Å
88E96.3Very high90.7Very high53 Ų5371.5 Ų71.525%0.24836%0.359CS..  trans-118138.2-175.1-73.7168.1-145.400111.4Q86 T95 Y97 S136 D137 N138Q86-E88 PolarHBondContact O-N 3.25Å; E88-T95 HydrophobicContact CB-CG2 4.01Å; E88-T95 HydrophobicContact CG-CG2 4.1Å; E88-Y97 HydrophobicContact CG-CD1 3.69Å; E88-Y97 HydrophobicContact CG-CE1 3.26Å; E88-Y97 WeakPolarHBondContact OE1-CE1 3.46Å; E88-S136 PolarHBondContact N-OG 3.39Å; E88-S136 CarbonylContact O-C 3.48Å; E88-S136 VanDerWaalsContact O-CA 3.25Å; E88-S136 WeakPolarHBondContact O-CA 3.25Å; E88-S136 PolarHBondContact O-OG 3.01Å; E88-D137 PolarHBondContact O-N 2.93Å; E88-N138 PolarHBondContact OE1-ND2 3.15Å
89V97.6Very high90.8Very high0 Ų071.7 Ų71.70%036%0.359CS..EExtended strand (participates in β ladder)trans-134.3121.2169.8170.50000109Y96 T101 A104 A105V89-Y96 PolarHBondContact N-O 3.12Å; V89-Y96 PolarHBondContact O-N 3.36Å; V89-T101 HydrophobicContact CB-CG2 3.88Å; V89-T101 HydrophobicContact CG2-CG2 3.47Å; V89-T101 VanDerWaalsContact CG2-CG2 3.47Å; V89-A104 HydrophobicContact CB-CB 4.1Å; V89-A104 HydrophobicContact CG1-CB 3.58Å; V89-A105 HydrophobicContact CG2-CB 4.3Å
90T96.7Very high91.2Very high57 Ų5771.6 Ų71.635%0.3536%0.359SS..EExtended strand (participates in β ladder)trans-90120.5174.2-510000109.1T94 T95 D137T90-T94 CarbonylContact C-O 3.32Å; T90-T94 VanDerWaalsContact CA-O 3.31Å; T90-T94 WeakPolarHBondContact CA-O 3.49Å; T90-T95 PolarHBondContact OG1-OG1 2.92Å; T90-D137 WeakPolarHBondContact CA-OD2 3.32Å; T90-D137 WeakPolarHBondContact CB-OD2 3.34Å; T90-D137 PolarHBondContact N-OD2 3.43Å; T90-D137 PolarHBondContact OG1-OD2 3.01Å
91Y95.7Very high91.7Very high20 Ų2070.2 Ų70.28%0.07835%0.35CS..EExtended strand (participates in β ladder)trans-131.8125.5177.8177.3-106000109.6L55 G93 T94 Y96 T107 R108 E111L55-Y91 HydrophobicContact CD2-CD1 3.65Å; L55-Y91 HydrophobicContact CD2-CE1 3.81Å; Y91-G93 PolarHBondContact O-N 3.1Å; Y91-G93 VanDerWaalsContact O-N 3.17Å; Y91-T94 PolarHBondContact N-O 2.83Å; Y91-T94 PolarHBondContact O-N 2.94Å; Y91-Y96 HydrophobicContact CD1-CE2 4.47Å; Y91-T107 HydrophobicContact CE1-CG2 4.15Å; Y91-T107 HydrophobicContact CE2-CG2 4.31Å; Y91-T107 VanDerWaalsContact OH-CG2 3.32Å; Y91-T107 WeakPolarHBondContact OH-CG2 3.34Å; Y91-R108 HydrophobicContact CD2-CB 4.09Å; Y91-R108 HydrophobicContact CE2-CB 4.45Å; Y91-E111 VanDerWaalsContact CE2-OE2 3.25Å; Y91-E111 WeakPolarHBondContact CE2-OE2 2.91Å; Y91-E111 PolarHBondContact OH-OE1 3.38Å; Y91-E111 PolarHBondContact OH-OE2 3.45Å
92R94.3Very high92.6Very high191 Ų19161.9 Ų61.972%0.72131%0.311SS*.THydrogen-bonded Turntrans4743.4-177.2-62.2179.9175.6-169.3-3.1113.6T94 E111R92-T94 VanDerWaalsContact C-N 3.34Å; R92-T94 PolarHBondContact O-N 3.29Å; R92-E111 IonicContact CZ-OE1 3.54Å; R92-E111 IonicContact NE-OE1 2.6Å; R92-E111 IonicContact NE-OE2 3.63Å; R92-E111 IonicContact NH2-OE1 2.9Å; R92-E111 PolarHBondContact NH2-OE1 2.94Å
93G94.4Very high93.5Very high73 Ų7355.5 Ų55.575%0.75329%0.287SS*.THydrogen-bonded Turntrans81.72.1177.200000115.6Y91Y91-G93 PolarHBondContact O-N 3.1Å; Y91-G93 VanDerWaalsContact O-N 3.17Å
94T96.5Very high94.5Very high69 Ų6947.2 Ų47.242%0.42325%0.248SC..EExtended strand (participates in β ladder)trans-111.8130.4175.1-57.90000110.4T90 Y91 R92 Y96T90-T94 CarbonylContact C-O 3.32Å; T90-T94 VanDerWaalsContact CA-O 3.31Å; T90-T94 WeakPolarHBondContact CA-O 3.49Å; Y91-T94 PolarHBondContact N-O 2.83Å; Y91-T94 PolarHBondContact O-N 2.94Å; R92-T94 VanDerWaalsContact C-N 3.34Å; R92-T94 PolarHBondContact O-N 3.29Å; T94-Y96 HydrophobicContact CG2-CD1 4.45Å; T94-Y96 HydrophobicContact CG2-CD2 4.41Å; T94-Y96 HydrophobicContact CG2-CE1 3.91Å; T94-Y96 HydrophobicContact CG2-CE2 3.84Å; T94-Y96 WeakPolarHBondContact O-CD2 3.16Å; T94-Y96 WeakPolarHBondContact O-CE2 3.5Å
95T96.3Very high95.3Very high55 Ų5541.9 Ų41.934%0.33722%0.22SC..EExtended strand (participates in β ladder)trans-89.1126.2174.9-51.30000109.9E88 T90 Y97E88-T95 HydrophobicContact CB-CG2 4.01Å; E88-T95 HydrophobicContact CG-CG2 4.1Å; T90-T95 PolarHBondContact OG1-OG1 2.92Å; T95-Y97 HydrophobicContact CG2-CE2 3.95Å
96Y95.7Very high95.8Very high45 Ų4538.1 Ų38.118%0.17620%0.202CC..EExtended strand (participates in β ladder)trans-108.3150.1-179.3-63.8-82.3000111.8L55 V89 Y91 T94 M100 T101 A104L55-Y96 HydrophobicContact CD1-CD1 4.2Å; L55-Y96 HydrophobicContact CD1-CD2 4.18Å; L55-Y96 HydrophobicContact CD1-CE1 4Å; L55-Y96 HydrophobicContact CD1-CE2 3.99Å; L55-Y96 HydrophobicContact CD1-CG 4.28Å; L55-Y96 HydrophobicContact CD2-CE2 4.23Å; L55-Y96 HydrophobicContact CG-CE1 4.5Å; V89-Y96 PolarHBondContact N-O 3.12Å; V89-Y96 PolarHBondContact O-N 3.36Å; Y91-Y96 HydrophobicContact CD1-CE2 4.47Å; T94-Y96 HydrophobicContact CG2-CD1 4.45Å; T94-Y96 HydrophobicContact CG2-CD2 4.41Å; T94-Y96 HydrophobicContact CG2-CE1 3.91Å; T94-Y96 HydrophobicContact CG2-CE2 3.84Å; T94-Y96 WeakPolarHBondContact O-CD2 3.16Å; T94-Y96 WeakPolarHBondContact O-CE2 3.5Å; Y96-M100 HydrophobicContact CD1-CB 3.71Å; Y96-M100 HydrophobicContact CD1-CE 4.12Å; Y96-M100 HydrophobicContact CD1-CG 4.37Å; Y96-M100 HydrophobicContact CE1-CE 4.07Å; Y96-M100 HydrophobicContact CG-CB 4.14Å; Y96-T101 PolarHBondContact O-OG1 3.28Å; Y96-T101 VanDerWaalsContact O-OG1 3.12Å; Y96-A104 HydrophobicContact CD2-CB 3.7Å; Y96-A104 HydrophobicContact CE2-CB 4.41Å; Y96-A104 HydrophobicContact CG-CB 4.15Å
97Y93.3Very high96Very high106 Ų10635.6 Ų35.642%0.41619%0.192SC..  trans-132.5159.3-178.1-56.7-96.3000110.3Q86 E88 T95 M100 T101Q86-Y97 HydrophobicContact CB-CD1 4Å; Q86-Y97 VanDerWaalsContact OE1-CD1 3.27Å; E88-Y97 HydrophobicContact CG-CD1 3.69Å; E88-Y97 HydrophobicContact CG-CE1 3.26Å; E88-Y97 WeakPolarHBondContact OE1-CE1 3.46Å; T95-Y97 HydrophobicContact CG2-CE2 3.95Å; Y97-M100 PolarHBondContact O-N 2.72Å; Y97-T101 WeakPolarHBondContact CA-OG1 3.16Å; Y97-T101 PolarHBondContact N-OG1 3.45Å
98G92.6Very high96.2Very high21 Ų2135.9 Ų35.922%0.21619%0.191CC..THydrogen-bonded Turntrans62.6-137.7176.100000112.5M100 T101G98-M100 PolarHBondContact O-N 3.4Å; G98-T101 PolarHBondContact N-OG1 3.24Å; G98-T101 VanDerWaalsContact O-CB 3.25Å; G98-T101 WeakPolarHBondContact O-CB 3.43Å; G98-T101 PolarHBondContact O-N 3.37Å; G98-T101 PolarHBondContact O-OG1 3.05Å
99Y94Very high96.3Very high20 Ų2033.3 Ų33.38%0.07818%0.179CC..Hα-helixtrans-52.9-37.9175.6169.6-112.4000112.8N53 V71 N75 F78 T101 L102 C103 W316N53-Y99 PolarHBondContact OD1-OH 3.01Å; V71-Y99 HydrophobicContact CG1-CE2 3.53Å; V71-Y99 VanDerWaalsContact CG1-OH 3.24Å; V71-Y99 WeakPolarHBondContact CG1-OH 3.31Å; N75-Y99 HydrophobicContact CB-CE2 4.32Å; F78-Y99 HydrophobicContact CD2-CD2 4.49Å; F78-Y99 AromaticContact CE2-CD2 3.7Å; F78-Y99 HydrophobicContact CE2-CD2 3.7Å; F78-Y99 HydrophobicContact CE2-CG 4.34Å; F78-Y99 AromaticContact CZ-CD2 3.88Å; F78-Y99 HydrophobicContact CZ-CD2 3.88Å; Y99-T101 PolarHBondContact O-N 3.24Å; Y99-L102 WeakPolarHBondContact O-CB 3.42Å; Y99-L102 PolarHBondContact O-N 2.98Å; Y99-L102 VanDerWaalsContact O-N 3.08Å; Y99-C103 WeakPolarHBondContact CE1-SG 3.26Å; Y99-C103 PolarHBondContact O-N 3.47Å; Y99-W316 AromaticContact CD1-CH2 3.94Å; Y99-W316 HydrophobicContact CD1-CH2 3.94Å; Y99-W316 HydrophobicContact CD1-CZ2 4.13Å
100M95.3Very high96.2Very high8 Ų835.6 Ų35.64%0.03919%0.19CC..Hα-helixtrans-67.5-21.7-178.3-66-58-63.700113.2P54 L55 Y96 Y97 G98 L102 C103 A104P54-M100 HydrophobicContact CG-CE 3.64Å; L55-M100 HydrophobicContact CB-CE 4.47Å; L55-M100 HydrophobicContact CD1-CE 3.56Å; L55-M100 HydrophobicContact CG-CE 3.74Å; Y96-M100 HydrophobicContact CD1-CB 3.71Å; Y96-M100 HydrophobicContact CD1-CE 4.12Å; Y96-M100 HydrophobicContact CD1-CG 4.37Å; Y96-M100 HydrophobicContact CE1-CE 4.07Å; Y96-M100 HydrophobicContact CG-CB 4.14Å; Y97-M100 PolarHBondContact O-N 2.72Å; G98-M100 PolarHBondContact O-N 3.4Å; M100-L102 VanDerWaalsContact C-N 3.32Å; M100-C103 HydrophobicContact CE-CB 4.49Å; M100-C103 PolarHBondContact O-N 3.08Å; M100-A104 VanDerWaalsContact O-CB 3.3Å; M100-A104 WeakPolarHBondContact O-CB 3.39Å; M100-A104 PolarHBondContact O-N 2.92Å
101T96.5Very high96.1Very high1 Ų138.2 Ų38.21%0.00620%0.198CC..Hα-helixtrans-62.3-41.7172.4-54.30000110.8C87 V89 Y96 Y97 G98 Y99 A105 M142C87-T101 HydrophobicContact CB-CG2 4.33Å; C87-T101 WeakPolarHBondContact O-CG2 3.45Å; C87-T101 PolarHBondContact O-OG1 3.42Å; V89-T101 HydrophobicContact CB-CG2 3.88Å; V89-T101 HydrophobicContact CG2-CG2 3.47Å; V89-T101 VanDerWaalsContact CG2-CG2 3.47Å; Y96-T101 PolarHBondContact O-OG1 3.28Å; Y96-T101 VanDerWaalsContact O-OG1 3.12Å; Y97-T101 WeakPolarHBondContact CA-OG1 3.16Å; Y97-T101 PolarHBondContact N-OG1 3.45Å; G98-T101 PolarHBondContact N-OG1 3.24Å; G98-T101 VanDerWaalsContact O-CB 3.25Å; G98-T101 WeakPolarHBondContact O-CB 3.43Å; G98-T101 PolarHBondContact O-N 3.37Å; G98-T101 PolarHBondContact O-OG1 3.05Å; Y99-T101 PolarHBondContact O-N 3.24Å; T101-A105 WeakPolarHBondContact O-CB 3.17Å; T101-A105 PolarHBondContact O-N 3.41Å; T101-M142 HydrophobicContact CG2-CE 3.65Å
102L97.6Very high96.2Very high0 Ų041.8 Ų41.80%022%0.216CC..Hα-helixtrans-63.8-50.2175.1175.264.9000110.8V71 M74 F78 Y99 M100 A104 A105 I106 L134 M142V71-L102 HydrophobicContact CG1-CD2 4.09Å; M74-L102 HydrophobicContact CB-CD1 4.17Å; M74-L102 HydrophobicContact CB-CD2 3.65Å; M74-L102 HydrophobicContact CE-CD1 3.97Å; M74-L102 HydrophobicContact SD-CD1 4.31Å; F78-L102 HydrophobicContact CE1-CB 3.69Å; F78-L102 HydrophobicContact CE1-CD2 3.92Å; F78-L102 HydrophobicContact CE1-CG 4.4Å; F78-L102 HydrophobicContact CZ-CB 4.11Å; F78-L102 HydrophobicContact CZ-CD2 3.63Å; Y99-L102 WeakPolarHBondContact O-CB 3.42Å; Y99-L102 PolarHBondContact O-N 2.98Å; Y99-L102 VanDerWaalsContact O-N 3.08Å; M100-L102 VanDerWaalsContact C-N 3.32Å; L102-A104 VanDerWaalsContact C-N 3.29Å; L102-A104 PolarHBondContact O-N 3.14Å; L102-A105 PolarHBondContact O-N 3Å; L102-A105 VanDerWaalsContact O-N 3.13Å; L102-I106 HydrophobicContact CD1-CD1 4.31Å; L102-I106 HydrophobicContact CD1-CG1 4Å; L102-I106 HydrophobicContact CG-CG1 4.44Å; L102-I106 WeakPolarHBondContact O-CG1 3.49Å; L102-I106 PolarHBondContact O-N 2.83Å; L102-L134 HydrophobicContact CD1-CD2 3.62Å; L102-M142 HydrophobicContact CB-CE 4.32Å
103C97.6Very high96.3Very high1 Ų135.7 Ų35.71%0.00721%0.212CC..Hα-helixtrans-55.7-46.1178.8-60.20000111.6L55 W67 Y99 M100 T107L55-C103 HydrophobicContact CB-CB 4.12Å; L55-C103 HydrophobicContact CD1-CB 3.96Å; W67-C103 HydrophobicContact CH2-CB 3.99Å; W67-C103 HydrophobicContact CZ2-CB 3.75Å; Y99-C103 WeakPolarHBondContact CE1-SG 3.26Å; Y99-C103 PolarHBondContact O-N 3.47Å; M100-C103 HydrophobicContact CE-CB 4.49Å; M100-C103 PolarHBondContact O-N 3.08Å; C103-T107 WeakPolarHBondContact O-CB 3.46Å; C103-T107 PolarHBondContact O-N 3.47Å; C103-T107 PolarHBondContact O-OG1 2.6Å
104A98Very high96.4Very high0 Ų034.1 Ų34.10%019%0.187CC..Hα-helixtrans-63.9-41.8177.600000112.3L55 V89 Y96 M100 L102 R108L55-A104 HydrophobicContact CD1-CB 3.73Å; V89-A104 HydrophobicContact CB-CB 4.1Å; V89-A104 HydrophobicContact CG1-CB 3.58Å; Y96-A104 HydrophobicContact CD2-CB 3.7Å; Y96-A104 HydrophobicContact CE2-CB 4.41Å; Y96-A104 HydrophobicContact CG-CB 4.15Å; M100-A104 VanDerWaalsContact O-CB 3.3Å; M100-A104 WeakPolarHBondContact O-CB 3.39Å; M100-A104 PolarHBondContact O-N 2.92Å; L102-A104 VanDerWaalsContact C-N 3.29Å; L102-A104 PolarHBondContact O-N 3.14Å; A104-R108 WeakPolarHBondContact O-CB 3.33Å; A104-R108 PolarHBondContact O-N 3.03Å
105A98.3Very high96.4Very high0 Ų033 Ų330%018%0.181CC..Hα-helixtrans-63.9-44.9178.500000112.7V89 T101 L102 R108 A109 L134V89-A105 HydrophobicContact CG2-CB 4.3Å; T101-A105 WeakPolarHBondContact O-CB 3.17Å; T101-A105 PolarHBondContact O-N 3.41Å; L102-A105 PolarHBondContact O-N 3Å; L102-A105 VanDerWaalsContact O-N 3.13Å; A105-R108 PolarHBondContact O-N 2.59Å; A105-A109 WeakPolarHBondContact O-CB 3.38Å; A105-A109 PolarHBondContact O-N 2.9Å; A105-L134 HydrophobicContact CB-CD2 3.91Å
106I98.4Very high96.5Very high0 Ų030.4 Ų30.40%016%0.164CC..Hα-helixtrans-66.2-46.6179.1-61-54.6000110.7W67 V70 V71 M74 L102 R108 A109 M110 I116 T117 V133 L134W67-I106 HydrophobicContact CG-CG2 4.45Å; V70-I106 HydrophobicContact CG1-CD1 3.89Å; V70-I106 HydrophobicContact CG1-CG1 4.22Å; V70-I106 HydrophobicContact CG1-CG2 4.25Å; V71-I106 HydrophobicContact CG2-CB 4.25Å; V71-I106 HydrophobicContact CG2-CG1 4.05Å; V71-I106 HydrophobicContact CG2-CG2 4.34Å; M74-I106 HydrophobicContact CE-CD1 3.79Å; M74-I106 HydrophobicContact CE-CG1 4.38Å; L102-I106 HydrophobicContact CD1-CD1 4.31Å; L102-I106 HydrophobicContact CD1-CG1 4Å; L102-I106 HydrophobicContact CG-CG1 4.44Å; L102-I106 WeakPolarHBondContact O-CG1 3.49Å; L102-I106 PolarHBondContact O-N 2.83Å; I106-R108 PolarHBondContact O-N 3Å; I106-A109 PolarHBondContact O-N 3.5Å; I106-M110 WeakPolarHBondContact O-CG 3.44Å; I106-M110 PolarHBondContact O-N 3.31Å; I106-I116 HydrophobicContact CD1-CG1 3.91Å; I106-I116 HydrophobicContact CG2-CG2 4.11Å; I106-T117 HydrophobicContact CG2-CG2 4.35Å; I106-V133 HydrophobicContact CD1-CG1 4.01Å; I106-L134 HydrophobicContact CD1-CD2 3.94Å
107T97.3Very high96.6Very high14 Ų1428.7 Ų28.79%0.08616%0.159CC..Hα-helixtrans-64.1-41.4178.5-57.10000111.5L55 W67 Y91 C103 A109 M110 E111L55-T107 WeakPolarHBondContact O-CG2 3.44Å; L55-T107 PolarHBondContact O-OG1 2.77Å; W67-T107 PolarHBondContact NE1-OG1 2.9Å; Y91-T107 HydrophobicContact CE1-CG2 4.15Å; Y91-T107 HydrophobicContact CE2-CG2 4.31Å; Y91-T107 VanDerWaalsContact OH-CG2 3.32Å; Y91-T107 WeakPolarHBondContact OH-CG2 3.34Å; C103-T107 WeakPolarHBondContact O-CB 3.46Å; C103-T107 PolarHBondContact O-N 3.47Å; C103-T107 PolarHBondContact O-OG1 2.6Å; T107-A109 PolarHBondContact O-N 3.3Å; T107-M110 PolarHBondContact O-N 2.8Å; T107-E111 PolarHBondContact O-N 3.28Å; T107-E111 VanDerWaalsContact O-N 3.11Å
108R97.6Very high96.8Very high19 Ų1928.4 Ų28.47%0.07216%0.161CC..Hα-helixtrans-57.2-47.3172.2177.5-178.364.3-170.7-2.8111.8Y91 A104 A105 I106 M110 E111 E112 V133 R135 D137Y91-R108 HydrophobicContact CD2-CB 4.09Å; Y91-R108 HydrophobicContact CE2-CB 4.45Å; A104-R108 WeakPolarHBondContact O-CB 3.33Å; A104-R108 PolarHBondContact O-N 3.03Å; A105-R108 PolarHBondContact O-N 2.59Å; I106-R108 PolarHBondContact O-N 3Å; R108-M110 VanDerWaalsContact C-N 3.31Å; R108-M110 PolarHBondContact O-N 3.5Å; R108-E111 PolarHBondContact O-N 3.09Å; R108-E111 VanDerWaalsContact O-N 3.15Å; R108-E112 HydrophobicContact CG-CG 4.45Å; R108-E112 WeakPolarHBondContact CG-OE1 3.27Å; R108-E112 WeakPolarHBondContact O-CG 3.14Å; R108-E112 PolarHBondContact O-N 2.8Å; R108-V133 PolarHBondContact NH2-O 3.5Å; R108-V133 VanDerWaalsContact NH2-O 3.16Å; R108-R135 PolarHBondContact NH2-O 2.86Å; R108-D137 IonicContact NH1-OD1 2.62Å; R108-D137 PolarHBondContact NH1-OD1 3.32Å
109A97.9Very high97Very high0 Ų027.8 Ų27.80%015%0.153CC..Hα-helixtrans-62.5-37.9-179.600000112.5A105 I106 T107 E112 G113 I114 I116 V133A105-A109 WeakPolarHBondContact O-CB 3.38Å; A105-A109 PolarHBondContact O-N 2.9Å; I106-A109 PolarHBondContact O-N 3.5Å; T107-A109 PolarHBondContact O-N 3.3Å; A109-E112 PolarHBondContact O-N 2.67Å; A109-G113 PolarHBondContact O-N 3.03Å; A109-I114 HydrophobicContact CB-CB 4.25Å; A109-I114 HydrophobicContact CB-CD1 4.15Å; A109-I114 WeakPolarHBondContact O-CB 3.44Å; A109-I114 PolarHBondContact O-N 2.82Å; A109-I116 HydrophobicContact CB-CB 4.43Å; A109-I116 HydrophobicContact CB-CG2 3.95Å; A109-V133 HydrophobicContact CB-CB 4.45Å; A109-V133 HydrophobicContact CB-CG1 3.83Å; A109-V133 HydrophobicContact CB-CG2 4.21Å
110M96.6Very high97.2Very high48 Ų4829.5 Ų29.524%0.23617%0.168CC..Hα-helixtrans-62.8-41.7173-67.5175.87200112.2P57 H63 W67 I106 T107 R108 E112 G113 I116 T117P57-M110 HydrophobicContact CG-CE 4.01Å; P57-M110 HydrophobicContact CG-SD 4.29Å; H63-M110 HydrophobicContact CB-CE 4.24Å; W67-M110 VanDerWaalsContact CD1-SD 3.58Å; W67-M110 HydrophobicContact CG-SD 4.49Å; I106-M110 WeakPolarHBondContact O-CG 3.44Å; I106-M110 PolarHBondContact O-N 3.31Å; T107-M110 PolarHBondContact O-N 2.8Å; R108-M110 VanDerWaalsContact C-N 3.31Å; R108-M110 PolarHBondContact O-N 3.5Å; M110-E112 VanDerWaalsContact C-N 3.3Å; M110-E112 PolarHBondContact O-N 2.81Å; M110-G113 PolarHBondContact O-N 3.21Å; M110-G113 VanDerWaalsContact O-N 3.1Å; M110-I116 HydrophobicContact CG-CG2 3.82Å; M110-T117 HydrophobicContact CE-CG2 4.14Å; M110-T117 HydrophobicContact CG-CG2 4.1Å; M110-T117 HydrophobicContact SD-CG2 3.6Å
111E95.3Very high97.3Very high111 Ų11131.7 Ų31.752%0.51918%0.176SC..Hα-helixtrans-67.7-30.6176-67.4-165.3152.600113Y91 R92 T107 R108 G113Y91-E111 VanDerWaalsContact CE2-OE2 3.25Å; Y91-E111 WeakPolarHBondContact CE2-OE2 2.91Å; Y91-E111 PolarHBondContact OH-OE1 3.38Å; Y91-E111 PolarHBondContact OH-OE2 3.45Å; R92-E111 IonicContact CZ-OE1 3.54Å; R92-E111 IonicContact NE-OE1 2.6Å; R92-E111 IonicContact NE-OE2 3.63Å; R92-E111 IonicContact NH2-OE1 2.9Å; R92-E111 PolarHBondContact NH2-OE1 2.94Å; T107-E111 PolarHBondContact O-N 3.28Å; T107-E111 VanDerWaalsContact O-N 3.11Å; R108-E111 PolarHBondContact O-N 3.09Å; R108-E111 VanDerWaalsContact O-N 3.15Å; E111-G113 PolarHBondContact O-N 2.77Å
112E96.4Very high97.4Very high95 Ų9531.7 Ų31.744%0.44418%0.176SC..THydrogen-bonded Turntrans-73.1-1.1172.3-71172.5179.900112.9R108 A109 M110 I114 R135R108-E112 HydrophobicContact CG-CG 4.45Å; R108-E112 WeakPolarHBondContact CG-OE1 3.27Å; R108-E112 WeakPolarHBondContact O-CG 3.14Å; R108-E112 PolarHBondContact O-N 2.8Å; A109-E112 PolarHBondContact O-N 2.67Å; M110-E112 VanDerWaalsContact C-N 3.3Å; M110-E112 PolarHBondContact O-N 2.81Å; E112-I114 VanDerWaalsContact C-N 3.34Å; E112-I114 HydrophobicContact CB-CG1 4.41Å; E112-R135 IonicContact OE1-CZ 3.55Å; E112-R135 IonicContact OE1-NH1 3.06Å; E112-R135 IonicContact OE1-NH2 2.72Å; E112-R135 PolarHBondContact OE1-NH2 3.05Å; E112-R135 IonicContact OE2-CZ 3.79Å; E112-R135 IonicContact OE2-NH1 3.4Å; E112-R135 PolarHBondContact OE2-NH1 3.21Å; E112-R135 VanDerWaalsContact OE2-NH1 3.1Å; E112-R135 IonicContact OE2-NH2 3.89Å; E112-R135 PolarHBondContact OE2-NH2 3.42Å
113G96.5Very high97.4Very high63 Ų6331.9 Ų31.965%0.64918%0.178SC*.THydrogen-bonded Turntrans79.113.7179.600000114.2A109 M110 E111A109-G113 PolarHBondContact O-N 3.03Å; M110-G113 PolarHBondContact O-N 3.21Å; M110-G113 VanDerWaalsContact O-N 3.1Å; E111-G113 PolarHBondContact O-N 2.77Å
114I97.7Very high97.4Very high41 Ų4139.4 Ų39.421%0.2121%0.213CC..  trans-78.6125173.5-55.1175.7000108A109 E112 I116 Y121 V133A109-I114 HydrophobicContact CB-CB 4.25Å; A109-I114 HydrophobicContact CB-CD1 4.15Å; A109-I114 WeakPolarHBondContact O-CB 3.44Å; A109-I114 PolarHBondContact O-N 2.82Å; E112-I114 VanDerWaalsContact C-N 3.34Å; E112-I114 HydrophobicContact CB-CG1 4.41Å; I114-I116 HydrophobicContact CG2-CB 4.22Å; I114-I116 PolarHBondContact O-N 2.83Å; I114-Y121 HydrophobicContact CG2-CE1 3.84Å; I114-V133 HydrophobicContact CD1-CG2 4.01Å; I114-V133 HydrophobicContact CG2-CG2 4.12Å
115P96.7Very high97.4Very high46 Ų4639.7 Ų39.730%0.29921%0.214SC..  trans-7747.2179.432.4-34.6000112T117 E118 Y121P115-T117 PolarHBondContact O-N 3.19Å; P115-E118 HydrophobicContact CB-CB 4.2Å; P115-E118 HydrophobicContact CB-CG 3.81Å; P115-E118 WeakPolarHBondContact O-CB 3.01Å; P115-E118 PolarHBondContact O-N 2.98Å; P115-Y121 HydrophobicContact CB-CG 4.49Å; P115-Y121 HydrophobicContact CG-CD1 4.4Å; P115-Y121 HydrophobicContact CG-CD2 3.67Å; P115-Y121 HydrophobicContact CG-CE2 4.2Å; P115-Y121 HydrophobicContact CG-CG 3.79Å; P115-Y121 WeakPolarHBondContact O-CB 3.44Å; P115-Y121 WeakPolarHBondContact O-CD1 3.34Å
116I97.7Very high97.4Very high0 Ų041.7 Ų41.70%023%0.228CC..THydrogen-bonded Turntrans-61.4-20.8-174.4-173.657.9000113.2I106 A109 M110 I114 Y121 F122 M125 L130 V133I106-I116 HydrophobicContact CD1-CG1 3.91Å; I106-I116 HydrophobicContact CG2-CG2 4.11Å; A109-I116 HydrophobicContact CB-CB 4.43Å; A109-I116 HydrophobicContact CB-CG2 3.95Å; M110-I116 HydrophobicContact CG-CG2 3.82Å; I114-I116 HydrophobicContact CG2-CB 4.22Å; I114-I116 PolarHBondContact O-N 2.83Å; I116-Y121 HydrophobicContact CD1-CE1 4.23Å; I116-F122 VanDerWaalsContact O-CD1 3.27Å; I116-F122 WeakPolarHBondContact O-CD1 3.04Å; I116-M125 HydrophobicContact CD1-SD 3.97Å; I116-L130 HydrophobicContact CD1-CD1 4.33Å; I116-V133 HydrophobicContact CD1-CG1 4.04Å; I116-V133 HydrophobicContact CD1-CG2 4.21Å; I116-V133 HydrophobicContact CG1-CG1 3.88Å
117T96.9Very high97.4Very high9 Ų943.6 Ų43.66%0.05524%0.239CC..THydrogen-bonded Turntrans-93.93.4176.961.20000113.8W67 V70 I106 M110 P115W67-T117 HydrophobicContact CB-CG2 4.29Å; V70-T117 HydrophobicContact CG2-CG2 4.3Å; I106-T117 HydrophobicContact CG2-CG2 4.35Å; M110-T117 HydrophobicContact CE-CG2 4.14Å; M110-T117 HydrophobicContact CG-CG2 4.1Å; M110-T117 HydrophobicContact SD-CG2 3.6Å; P115-T117 PolarHBondContact O-N 3.19Å
118E97.1Very high97.5Very high99 Ų9948.7 Ų48.746%0.46326%0.263SS..  trans-93.8122.1178.5-63.8-171.1-178.900111.5P115 S120 Y121 F122P115-E118 HydrophobicContact CB-CB 4.2Å; P115-E118 HydrophobicContact CB-CG 3.81Å; P115-E118 WeakPolarHBondContact O-CB 3.01Å; P115-E118 PolarHBondContact O-N 2.98Å; E118-S120 PolarHBondContact O-N 3.37Å; E118-S120 VanDerWaalsContact O-N 3.16Å; E118-Y121 WeakPolarHBondContact O-CA 3.44Å; E118-Y121 WeakPolarHBondContact O-CB 3.4Å; E118-Y121 PolarHBondContact O-N 3.4Å; E118-F122 WeakPolarHBondContact O-CD1 3.35Å; E118-F122 WeakPolarHBondContact O-CE1 3.27Å; E118-F122 PolarHBondContact O-N 3.43Å; E118-F122 VanDerWaalsContact O-N 3.1Å
119P97.5Very high97.5Very high8 Ų851 Ų515%0.05227%0.274CS..Hα-helixtrans-57.7-32.4-179-29.538.4000114.7Y121 F122 S123 L159 L160 G164P119-Y121 VanDerWaalsContact C-N 3.27Å; P119-Y121 PolarHBondContact O-N 2.91Å; P119-F122 VanDerWaalsContact CA-CZ 3.47Å; P119-F122 HydrophobicContact CB-CE1 4.18Å; P119-F122 HydrophobicContact CB-CE2 4.37Å; P119-F122 HydrophobicContact CB-CZ 3.87Å; P119-F122 HydrophobicContact CG-CE1 3.92Å; P119-F122 HydrophobicContact CG-CZ 3.75Å; P119-F122 VanDerWaalsContact N-CE1 3.29Å; P119-S123 WeakPolarHBondContact O-CB 3.42Å; P119-S123 PolarHBondContact O-N 3.32Å; P119-S123 VanDerWaalsContact O-N 3.12Å; P119-S123 PolarHBondContact O-OG 3.42Å; P119-L159 HydrophobicContact CB-CB 3.99Å; P119-L159 HydrophobicContact CB-CD1 4.33Å; P119-L159 HydrophobicContact CG-CB 4.08Å; P119-L159 HydrophobicContact CG-CD1 3.73Å; P119-L160 HydrophobicContact CB-CD2 4.29Å; P119-L160 HydrophobicContact CB-CG 4.25Å; P119-G164 WeakPolarHBondContact CG-O 3.47Å
120S97.6Very high97.6Very high56 Ų5651 Ų5139%0.39227%0.274SS..Hα-helixtrans-60-35.8172.944.30000112.9E118 S123E118-S120 PolarHBondContact O-N 3.37Å; E118-S120 VanDerWaalsContact O-N 3.16Å; S120-S123 PolarHBondContact O-OG 2.89Å
121Y98.3Very high97.6Very high54 Ų5449.6 Ų49.621%0.21227%0.272CS..Hα-helixtrans-78.6-58.8178.7179.4-100.6000111.2I114 P115 I116 E118 P119 S123 Q124 M125I114-Y121 HydrophobicContact CG2-CE1 3.84Å; P115-Y121 HydrophobicContact CB-CG 4.49Å; P115-Y121 HydrophobicContact CG-CD1 4.4Å; P115-Y121 HydrophobicContact CG-CD2 3.67Å; P115-Y121 HydrophobicContact CG-CE2 4.2Å; P115-Y121 HydrophobicContact CG-CG 3.79Å; P115-Y121 WeakPolarHBondContact O-CB 3.44Å; P115-Y121 WeakPolarHBondContact O-CD1 3.34Å; I116-Y121 HydrophobicContact CD1-CE1 4.23Å; E118-Y121 WeakPolarHBondContact O-CA 3.44Å; E118-Y121 WeakPolarHBondContact O-CB 3.4Å; E118-Y121 PolarHBondContact O-N 3.4Å; P119-Y121 VanDerWaalsContact C-N 3.27Å; P119-Y121 PolarHBondContact O-N 2.91Å; Y121-S123 PolarHBondContact O-N 3.24Å; Y121-Q124 PolarHBondContact O-N 2.75Å; Y121-M125 HydrophobicContact CE1-CB 4.25Å; Y121-M125 HydrophobicContact CE1-SD 4.23Å; Y121-M125 PolarHBondContact O-N 2.75Å
122F97.7Very high97.8Very high1 Ų152 Ų520%0.00428%0.277CS..Hα-helixtrans-74.2-11.5-171.364.4-111.3000114.5F69 V70 I116 E118 P119 Q124 M125 L152 T153 G156 L159F69-F122 AromaticContact CD1-CZ 3.98Å; F69-F122 HydrophobicContact CD1-CZ 3.98Å; F69-F122 HydrophobicContact CE1-CE2 4.06Å; F69-F122 AromaticContact CE1-CZ 3.89Å; F69-F122 HydrophobicContact CE1-CZ 3.89Å; V70-F122 HydrophobicContact CG2-CD1 4.23Å; V70-F122 HydrophobicContact CG2-CE1 3.88Å; V70-F122 HydrophobicContact CG2-CZ 4.41Å; I116-F122 VanDerWaalsContact O-CD1 3.27Å; I116-F122 WeakPolarHBondContact O-CD1 3.04Å; E118-F122 WeakPolarHBondContact O-CD1 3.35Å; E118-F122 WeakPolarHBondContact O-CE1 3.27Å; E118-F122 PolarHBondContact O-N 3.43Å; E118-F122 VanDerWaalsContact O-N 3.1Å; P119-F122 VanDerWaalsContact CA-CZ 3.47Å; P119-F122 HydrophobicContact CB-CE1 4.18Å; P119-F122 HydrophobicContact CB-CE2 4.37Å; P119-F122 HydrophobicContact CB-CZ 3.87Å; P119-F122 HydrophobicContact CG-CE1 3.92Å; P119-F122 HydrophobicContact CG-CZ 3.75Å; P119-F122 VanDerWaalsContact N-CE1 3.29Å; F122-Q124 VanDerWaalsContact C-N 3.3Å; F122-M125 HydrophobicContact CB-CE 3.95Å; F122-M125 HydrophobicContact CB-SD 3.94Å; F122-L152 HydrophobicContact CB-CD2 4.08Å; F122-L152 HydrophobicContact CB-CG 3.96Å; F122-L152 HydrophobicContact CD1-CD1 4.48Å; F122-L152 HydrophobicContact CD2-CD1 3.63Å; F122-L152 HydrophobicContact CD2-CG 3.68Å; F122-L152 WeakPolarHBondContact CD2-O 3.07Å; F122-L152 HydrophobicContact CE2-CD1 3.72Å; F122-L152 HydrophobicContact CE2-CG 4.27Å; F122-L152 WeakPolarHBondContact CE2-O 3.41Å; F122-L152 HydrophobicContact CG-CD1 4.02Å; F122-L152 HydrophobicContact CG-CD2 4.41Å; F122-L152 HydrophobicContact CG-CG 3.95Å; F122-L152 HydrophobicContact CZ-CD1 4.23Å; F122-T153 WeakPolarHBondContact O-CA 3.27Å; F122-T153 PolarHBondContact O-OG1 3.24Å; F122-T153 VanDerWaalsContact O-OG1 3.11Å; F122-G156 VanDerWaalsContact CE2-N 3.32Å; F122-L159 HydrophobicContact CZ-CD1 4.19Å
123S97.9Very high97.9Very high5 Ų547.6 Ų47.64%0.03526%0.256CS..THydrogen-bonded Turntrans-75.9-14.216961.80000114.5P119 S120 Y121 T153 L160P119-S123 WeakPolarHBondContact O-CB 3.42Å; P119-S123 PolarHBondContact O-N 3.32Å; P119-S123 VanDerWaalsContact O-N 3.12Å; P119-S123 PolarHBondContact O-OG 3.42Å; S120-S123 PolarHBondContact O-OG 2.89Å; Y121-S123 PolarHBondContact O-N 3.24Å; S123-T153 WeakPolarHBondContact O-CG2 3.44Å; S123-L160 VanDerWaalsContact OG-CD1 3.31Å; S123-L160 WeakPolarHBondContact OG-CD1 3.41Å
124Q97.8Very high97.9Very high159 Ų15944.7 Ų44.774%0.74323%0.226SC*.THydrogen-bonded Turntrans-125.8-15.8-175.4-60.4-176.531.700113.5Y121 F122Y121-Q124 PolarHBondContact O-N 2.75Å; F122-Q124 VanDerWaalsContact C-N 3.3Å
125M98.3Very high97.9Very high6 Ų647.2 Ų47.23%0.0323%0.233CC..  trans-57.1150.218074.2-178.8177.100111.9I116 Y121 F122 E129 L130 H149 L152I116-M125 HydrophobicContact CD1-SD 3.97Å; Y121-M125 HydrophobicContact CE1-CB 4.25Å; Y121-M125 HydrophobicContact CE1-SD 4.23Å; Y121-M125 PolarHBondContact O-N 2.75Å; F122-M125 HydrophobicContact CB-CE 3.95Å; F122-M125 HydrophobicContact CB-SD 3.94Å; M125-E129 WeakPolarHBondContact CA-OE2 3.38Å; M125-E129 HydrophobicContact CB-CB 4.25Å; M125-L130 HydrophobicContact CE-CB 3.93Å; M125-L130 HydrophobicContact CE-CD1 3.79Å; M125-L130 HydrophobicContact CE-CD2 3.95Å; M125-L130 HydrophobicContact CE-CG 4.09Å; M125-L130 HydrophobicContact SD-CB 4.14Å; M125-L130 HydrophobicContact SD-CD1 4.28Å; M125-H149 PolarHBondContact O-NE2 3.28Å; M125-L152 HydrophobicContact CE-CB 4.4Å; M125-L152 HydrophobicContact CE-CD2 3.54Å; M125-L152 HydrophobicContact CE-CG 4.09Å
126S98.6Very high97.9Very high41 Ų4146.1 Ų46.129%0.28723%0.226SC..  trans-81.7166.1173.991.60000112.1E128 E129 L130S126-E128 WeakPolarHBondContact CB-OE2 3.31Å; S126-E128 PolarHBondContact O-N 2.85Å; S126-E128 PolarHBondContact OG-N 3.4Å; S126-E128 PolarHBondContact OG-OE2 3.22Å; S126-E129 PolarHBondContact N-OE2 2.66Å; S126-E129 PolarHBondContact O-N 2.72Å; S126-E129 PolarHBondContact OG-N 3.45Å; S126-E129 VanDerWaalsContact OG-N 3.17Å; S126-L130 PolarHBondContact O-N 3.09Å; S126-L130 VanDerWaalsContact O-N 3.1Å
127V98.6Very high97.9Very high40 Ų4050.1 Ų50.124%0.24225%0.247CC..Hα-helixtrans-62.2-37.1173.7179.30000110.2L130 G131 L145 E146 H149V127-L130 PolarHBondContact O-N 3.38Å; V127-G131 PolarHBondContact O-N 2.99Å; V127-L145 HydrophobicContact CG1-CD2 4.06Å; V127-L145 HydrophobicContact CG1-CG 4.06Å; V127-E146 HydrophobicContact CG1-CG 4.5Å; V127-H149 HydrophobicContact CG2-CB 4.06Å
128E98.4Very high97.8Very high122 Ų12252 Ų5257%0.5726%0.257SS*.Hα-helixtrans-66.1-38.4177.7-57.374.4-164.500111.9S126 G131 R132S126-E128 WeakPolarHBondContact CB-OE2 3.31Å; S126-E128 PolarHBondContact O-N 2.85Å; S126-E128 PolarHBondContact OG-N 3.4Å; S126-E128 PolarHBondContact OG-OE2 3.22Å; E128-G131 PolarHBondContact O-N 2.91Å; E128-R132 WeakPolarHBondContact O-CG 3.42Å; E128-R132 PolarHBondContact O-N 2.98Å
129E98.5Very high97.6Very high66 Ų6655.4 Ų55.431%0.30828%0.279SS..Hα-helixtrans-64.4-45.9174.3-69.9178.3129.200111.2M125 S126 G131 R132 V133M125-E129 WeakPolarHBondContact CA-OE2 3.38Å; M125-E129 HydrophobicContact CB-CB 4.25Å; S126-E129 PolarHBondContact N-OE2 2.66Å; S126-E129 PolarHBondContact O-N 2.72Å; S126-E129 PolarHBondContact OG-N 3.45Å; S126-E129 VanDerWaalsContact OG-N 3.17Å; E129-G131 VanDerWaalsContact C-N 3.29Å; E129-G131 PolarHBondContact O-N 2.7Å; E129-R132 PolarHBondContact O-N 3.43Å; E129-V133 PolarHBondContact O-N 3.05Å; E129-V133 VanDerWaalsContact O-N 3.1Å
130L98.7Very high97.4Very high0 Ų056.5 Ų56.50%029%0.285CS..Hα-helixtrans-61.9-38.6173-175.560.2000111.7M74 I116 M125 S126 V127 R132 V133 L134 L145 R148 H149M74-L130 HydrophobicContact SD-CD1 4.37Å; M74-L130 HydrophobicContact SD-CD2 4.47Å; I116-L130 HydrophobicContact CD1-CD1 4.33Å; M125-L130 HydrophobicContact CE-CB 3.93Å; M125-L130 HydrophobicContact CE-CD1 3.79Å; M125-L130 HydrophobicContact CE-CD2 3.95Å; M125-L130 HydrophobicContact CE-CG 4.09Å; M125-L130 HydrophobicContact SD-CB 4.14Å; M125-L130 HydrophobicContact SD-CD1 4.28Å; S126-L130 PolarHBondContact O-N 3.09Å; S126-L130 VanDerWaalsContact O-N 3.1Å; V127-L130 PolarHBondContact O-N 3.38Å; L130-R132 VanDerWaalsContact C-N 3.29Å; L130-R132 PolarHBondContact O-N 3.22Å; L130-V133 HydrophobicContact CD1-CB 4.45Å; L130-V133 HydrophobicContact CD1-CG1 4.4Å; L130-V133 WeakPolarHBondContact O-CB 3.39Å; L130-V133 PolarHBondContact O-N 2.82Å; L130-V133 VanDerWaalsContact O-N 3.15Å; L130-L134 HydrophobicContact CD1-CD1 3.73Å; L130-L134 HydrophobicContact CD1-CG 3.79Å; L130-L134 HydrophobicContact CD2-CD1 4.13Å; L130-L134 HydrophobicContact CG-CD1 3.75Å; L130-L134 HydrophobicContact CG-CG 4.11Å; L130-L134 WeakPolarHBondContact O-CB 3.36Å; L130-L134 WeakPolarHBondContact O-CG 3.42Å; L130-L134 PolarHBondContact O-N 3.15Å; L130-L145 HydrophobicContact CB-CD1 4.3Å; L130-L145 HydrophobicContact CD2-CD1 4.01Å; L130-L145 HydrophobicContact CG-CD1 3.84Å; L130-R148 HydrophobicContact CD2-CB 4.08Å; L130-H149 VanDerWaalsContact CD2-CA 3.44Å; L130-H149 HydrophobicContact CD2-CB 3.71Å
131G98.3Very high97.3Very high20 Ų2058.3 Ų58.321%0.20630%0.295CS..Hα-helixtrans-60.6-36.7176.200000112.7V127 E128 E129 L134 R135V127-G131 PolarHBondContact O-N 2.99Å; E128-G131 PolarHBondContact O-N 2.91Å; E129-G131 VanDerWaalsContact C-N 3.29Å; E129-G131 PolarHBondContact O-N 2.7Å; G131-L134 CarbonylContact O-C 3.44Å; G131-R135 WeakPolarHBondContact O-CA 3.37Å; G131-R135 PolarHBondContact O-N 3.26Å
132R98.1Very high97.1Very high162 Ų16256.2 Ų56.261%0.61129%0.287SS*.Hα-helixtrans-70.1-36.4173.7-69.1173-166.5142.74.7112.6E128 E129 L130 R135E128-R132 WeakPolarHBondContact O-CG 3.42Å; E128-R132 PolarHBondContact O-N 2.98Å; E129-R132 PolarHBondContact O-N 3.43Å; L130-R132 VanDerWaalsContact C-N 3.29Å; L130-R132 PolarHBondContact O-N 3.22Å; R132-R135 WeakPolarHBondContact O-CD 3.26Å; R132-R135 WeakPolarHBondContact O-CG 3.27Å; R132-R135 PolarHBondContact O-NH1 3.33Å
133V98.4Very high97Very high1 Ų157.3 Ų57.31%0.00630%0.295CS..Hα-helixtrans-64-51.2174.4164.10000110.2I106 R108 A109 I114 I116 E129 L130 R135I106-V133 HydrophobicContact CD1-CG1 4.01Å; R108-V133 PolarHBondContact NH2-O 3.5Å; R108-V133 VanDerWaalsContact NH2-O 3.16Å; A109-V133 HydrophobicContact CB-CB 4.45Å; A109-V133 HydrophobicContact CB-CG1 3.83Å; A109-V133 HydrophobicContact CB-CG2 4.21Å; I114-V133 HydrophobicContact CD1-CG2 4.01Å; I114-V133 HydrophobicContact CG2-CG2 4.12Å; I116-V133 HydrophobicContact CD1-CG1 4.04Å; I116-V133 HydrophobicContact CD1-CG2 4.21Å; I116-V133 HydrophobicContact CG1-CG1 3.88Å; E129-V133 PolarHBondContact O-N 3.05Å; E129-V133 VanDerWaalsContact O-N 3.1Å; L130-V133 HydrophobicContact CD1-CB 4.45Å; L130-V133 HydrophobicContact CD1-CG1 4.4Å; L130-V133 WeakPolarHBondContact O-CB 3.39Å; L130-V133 PolarHBondContact O-N 2.82Å; L130-V133 VanDerWaalsContact O-N 3.15Å; V133-R135 VanDerWaalsContact C-N 3.26Å; V133-R135 PolarHBondContact O-N 3.35Å
134L98.3Very high96.9Very high2 Ų258.5 Ų58.51%0.0130%0.3CS..THydrogen-bonded Turntrans-85.711.9-176.6-57.9-176.9000114M74 L102 A105 I106 L130 G131 S136 M142 L145M74-L134 HydrophobicContact SD-CD1 4.21Å; L102-L134 HydrophobicContact CD1-CD2 3.62Å; A105-L134 HydrophobicContact CB-CD2 3.91Å; I106-L134 HydrophobicContact CD1-CD2 3.94Å; L130-L134 HydrophobicContact CD1-CD1 3.73Å; L130-L134 HydrophobicContact CD1-CG 3.79Å; L130-L134 HydrophobicContact CD2-CD1 4.13Å; L130-L134 HydrophobicContact CG-CD1 3.75Å; L130-L134 HydrophobicContact CG-CG 4.11Å; L130-L134 WeakPolarHBondContact O-CB 3.36Å; L130-L134 WeakPolarHBondContact O-CG 3.42Å; L130-L134 PolarHBondContact O-N 3.15Å; G131-L134 CarbonylContact O-C 3.44Å; L134-S136 PolarHBondContact O-N 3.5Å; L134-M142 HydrophobicContact CB-CB 4.12Å; L134-M142 HydrophobicContact CB-CG 4.37Å; L134-M142 HydrophobicContact CD1-CG 4.16Å; L134-L145 HydrophobicContact CD1-CD1 4Å
135R97.3Very high96.9Very high95 Ų9552.6 Ų52.636%0.35827%0.274SS..  trans-55.5133.1-176.868.7-171.8-175-83.21.1111R108 E112 G131 R132 V133R108-R135 PolarHBondContact NH2-O 2.86Å; E112-R135 IonicContact OE1-CZ 3.55Å; E112-R135 IonicContact OE1-NH1 3.06Å; E112-R135 IonicContact OE1-NH2 2.72Å; E112-R135 PolarHBondContact OE1-NH2 3.05Å; E112-R135 IonicContact OE2-CZ 3.79Å; E112-R135 IonicContact OE2-NH1 3.4Å; E112-R135 PolarHBondContact OE2-NH1 3.21Å; E112-R135 VanDerWaalsContact OE2-NH1 3.1Å; E112-R135 IonicContact OE2-NH2 3.89Å; E112-R135 PolarHBondContact OE2-NH2 3.42Å; G131-R135 WeakPolarHBondContact O-CA 3.37Å; G131-R135 PolarHBondContact O-N 3.26Å; R132-R135 WeakPolarHBondContact O-CD 3.26Å; R132-R135 WeakPolarHBondContact O-CG 3.27Å; R132-R135 PolarHBondContact O-NH1 3.33Å; V133-R135 VanDerWaalsContact C-N 3.26Å; V133-R135 PolarHBondContact O-N 3.35Å
136S96.9Very high96.9Very high23 Ų2357.6 Ų57.616%0.16130%0.297CS..  trans-79.5157.4170.9-1660000110.7E88 L134 N138 T140E88-S136 PolarHBondContact N-OG 3.39Å; E88-S136 CarbonylContact O-C 3.48Å; E88-S136 VanDerWaalsContact O-CA 3.25Å; E88-S136 WeakPolarHBondContact O-CA 3.25Å; E88-S136 PolarHBondContact O-OG 3.01Å; L134-S136 PolarHBondContact O-N 3.5Å; S136-N138 PolarHBondContact OG-N 3.31Å; S136-N138 PolarHBondContact OG-OD1 2.88Å; S136-N138 VanDerWaalsContact OG-OD1 3.06Å; S136-T140 WeakPolarHBondContact CB-O 3.44Å; S136-T140 PolarHBondContact OG-O 3.2Å
137D96.5Very high96.9Very high83 Ų8358.2 Ų58.244%0.44430%0.295SS..SBendtrans-85.1-0.8170.4-61.6-20000112.5E88 T90 R108E88-D137 PolarHBondContact O-N 2.93Å; T90-D137 WeakPolarHBondContact CA-OD2 3.32Å; T90-D137 WeakPolarHBondContact CB-OD2 3.34Å; T90-D137 PolarHBondContact N-OD2 3.43Å; T90-D137 PolarHBondContact OG1-OD2 3.01Å; R108-D137 IonicContact NH1-OD1 2.62Å; R108-D137 PolarHBondContact NH1-OD1 3.32Å
138N94.3Very high96.9Very high48 Ų4856.3 Ų56.326%0.25728%0.284SS..SBendtrans-125.4-174.7172.873.622.4000111.3Q86 E88 S136 T140Q86-N138 PolarHBondContact O-ND2 3.06Å; Q86-N138 PolarHBondContact O-OD1 3.35Å; E88-N138 PolarHBondContact OE1-ND2 3.15Å; S136-N138 PolarHBondContact OG-N 3.31Å; S136-N138 PolarHBondContact OG-OD1 2.88Å; S136-N138 VanDerWaalsContact OG-OD1 3.06Å; N138-T140 PolarHBondContact O-N 2.86Å; N138-T140 WeakPolarHBondContact OD1-CA 3.38Å; N138-T140 VanDerWaalsContact OD1-CB 3.27Å; N138-T140 WeakPolarHBondContact OD1-CB 3.42Å; N138-T140 PolarHBondContact OD1-N 2.82Å; N138-T140 PolarHBondContact OD1-O 3.07Å; N138-T140 PolarHBondContact OD1-OG1 3.28Å
139N93.1Very high96.9Very high172 Ų17252.1 Ų52.192%0.9226%0.264SS*.SBendtrans-77.4-0.6-177.8-67.1-32.4000114.2P141N139-P141 WeakPolarHBondContact O-CD 3.29Å
140T94.6Very high96.9Very high30 Ų3056.6 Ų56.618%0.18428%0.278CS..  trans-96.3109.9-179.9-49.20000109.6Q85 Q86 S136 N138Q85-T140 HydrophobicContact CB-CG2 4.27Å; Q85-T140 WeakPolarHBondContact O-CG2 3.42Å; Q86-T140 WeakPolarHBondContact O-CB 3.44Å; S136-T140 WeakPolarHBondContact CB-O 3.44Å; S136-T140 PolarHBondContact OG-O 3.2Å; N138-T140 PolarHBondContact O-N 2.86Å; N138-T140 WeakPolarHBondContact OD1-CA 3.38Å; N138-T140 VanDerWaalsContact OD1-CB 3.27Å; N138-T140 WeakPolarHBondContact OD1-CB 3.42Å; N138-T140 PolarHBondContact OD1-N 2.82Å; N138-T140 PolarHBondContact OD1-O 3.07Å; N138-T140 PolarHBondContact OD1-OG1 3.28Å
141P94.2Very high96.9Very high94 Ų9456.8 Ų56.861%0.6128%0.279SS*.PPolyproline II helixtrans-69.6161.418030.6-35.5000112N139 P143N139-P141 WeakPolarHBondContact O-CD 3.29Å; P141-P143 WeakPolarHBondContact O-CD 3.36Å
142M95.3Very high96.9Very high10 Ų1055.9 Ų55.95%0.04927%0.27CS..PPolyproline II helixtrans-57.7127166.6-179.167.86300109.1F78 C87 T101 L102 L134F78-M142 HydrophobicContact CD1-SD 4.22Å; F78-M142 HydrophobicContact CE1-SD 4.26Å; C87-M142 PolarHBondContact SG-N 2.96Å; C87-M142 VanDerWaalsContact SG-N 3.41Å; T101-M142 HydrophobicContact CG2-CE 3.65Å; L102-M142 HydrophobicContact CB-CE 4.32Å; L134-M142 HydrophobicContact CB-CB 4.12Å; L134-M142 HydrophobicContact CB-CG 4.37Å; L134-M142 HydrophobicContact CD1-CG 4.16Å
143P94.6Very high96.9Very high25 Ų2548.6 Ų48.616%0.16224%0.243CC..THydrogen-bonded Turntrans-63.5150.3179.1-21.431.6000112.3S77 P141 L145 R148S77-P143 WeakPolarHBondContact O-CB 3.11Å; P141-P143 WeakPolarHBondContact O-CD 3.36Å; P143-L145 PolarHBondContact O-N 3.09Å; P143-R148 PolarHBondContact O-NE 2.76Å; P143-R148 VanDerWaalsContact O-NE 3.1Å; P143-R148 PolarHBondContact O-NH2 2.94Å
144M95.9Very high96.9Very high29 Ų2951 Ų5114%0.14326%0.255CS..THydrogen-bonded Turntrans57.644.4172.7-57.7-170.371.800114F76 S77 E146 E147 R148 R335 I337F76-M144 HydrophobicContact CD2-SD 4.01Å; F76-M144 HydrophobicContact CE2-CB 4.06Å; F76-M144 HydrophobicContact CE2-CE 4.18Å; F76-M144 HydrophobicContact CE2-SD 4.04Å; S77-M144 WeakPolarHBondContact CB-SD 3.37Å; S77-M144 PolarHBondContact OG-SD 3.32Å; S77-M144 VanDerWaalsContact OG-SD 3.32Å; M144-E146 VanDerWaalsContact C-N 3.32Å; M144-E146 PolarHBondContact O-N 3.06Å; M144-E147 VanDerWaalsContact CA-OE2 3.27Å; M144-E147 WeakPolarHBondContact CA-OE2 3.43Å; M144-E147 HydrophobicContact CB-CB 4.24Å; M144-E147 WeakPolarHBondContact CB-OE2 3.36Å; M144-E147 HydrophobicContact CE-CB 3.92Å; M144-E147 HydrophobicContact CE-CG 3.57Å; M144-E147 PolarHBondContact O-N 3.37Å; M144-R148 WeakPolarHBondContact O-CB 3.35Å; M144-R148 VanDerWaalsContact O-CG 3.29Å; M144-R148 WeakPolarHBondContact O-CG 3.2Å; M144-R148 PolarHBondContact O-N 3.26Å; M144-R335 HydrophobicContact CE-CG 4.48Å; M144-R335 HydrophobicContact CG-CG 4.36Å; M144-R335 WeakPolarHBondContact SD-CD 3.5Å; M144-R335 HydrophobicContact SD-CG 3.83Å; M144-I337 HydrophobicContact CE-CG2 4.25Å
145L97.4Very high96.9Very high36 Ų3651 Ų5119%0.18825%0.254CS..Hα-helixtrans-59.1-43.3-177.3179.862.9000111.8V127 L130 L134 P143 R148 H149V127-L145 HydrophobicContact CG1-CD2 4.06Å; V127-L145 HydrophobicContact CG1-CG 4.06Å; L130-L145 HydrophobicContact CB-CD1 4.3Å; L130-L145 HydrophobicContact CD2-CD1 4.01Å; L130-L145 HydrophobicContact CG-CD1 3.84Å; L134-L145 HydrophobicContact CD1-CD1 4Å; P143-L145 PolarHBondContact O-N 3.09Å; L145-R148 PolarHBondContact O-N 2.81Å; L145-H149 WeakPolarHBondContact O-CB 3.17Å; L145-H149 PolarHBondContact O-N 3.24Å
146E98.4Very high97Very high111 Ų11146.4 Ų46.452%0.51924%0.237SC..Hα-helixtrans-64.5-41.5179.4-6976.2-173.600111.7V127 M144 R150V127-E146 HydrophobicContact CG1-CG 4.5Å; M144-E146 VanDerWaalsContact C-N 3.32Å; M144-E146 PolarHBondContact O-N 3.06Å; E146-R150 WeakPolarHBondContact O-CB 3.48Å; E146-R150 PolarHBondContact O-N 2.82Å
147E98.6Very high97.1Very high54 Ų5452.5 Ų52.525%0.25226%0.257SS..Hα-helixtrans-70.3-40.4176.3-66.577.1-166.600111.7F76 M144 H149 R150 V151 I337F76-E147 HydrophobicContact CE2-CB 4.2Å; F76-E147 HydrophobicContact CZ-CB 4.3Å; M144-E147 VanDerWaalsContact CA-OE2 3.27Å; M144-E147 WeakPolarHBondContact CA-OE2 3.43Å; M144-E147 HydrophobicContact CB-CB 4.24Å; M144-E147 WeakPolarHBondContact CB-OE2 3.36Å; M144-E147 HydrophobicContact CE-CB 3.92Å; M144-E147 HydrophobicContact CE-CG 3.57Å; M144-E147 PolarHBondContact O-N 3.37Å; E147-H149 VanDerWaalsContact C-N 3.33Å; E147-H149 PolarHBondContact O-N 3.45Å; E147-R150 PolarHBondContact O-N 2.98Å; E147-V151 WeakPolarHBondContact O-CG1 3.06Å; E147-V151 WeakPolarHBondContact O-CG2 3.48Å; E147-V151 PolarHBondContact O-N 2.92Å; E147-I337 HydrophobicContact CB-CG2 3.7Å; E147-I337 HydrophobicContact CG-CG2 4Å
148R98.5Very high97.1Very high0 Ų049.3 Ų49.30%024%0.24CC..Hα-helixtrans-58.3-46174-76.4-178.2-165.8-25.34.4111.7M74 F76 L130 P143 M144 L145 V151 L152M74-R148 HydrophobicContact CB-CG 4.16Å; M74-R148 HydrophobicContact CG-CB 3.96Å; M74-R148 HydrophobicContact CG-CG 3.96Å; M74-R148 PolarHBondContact O-NH1 3.3Å; M74-R148 HydrophobicContact SD-CB 3.88Å; M74-R148 HydrophobicContact SD-CG 4.24Å; F76-R148 HydrophobicContact CE1-CG 4.29Å; F76-R148 HydrophobicContact CE2-CG 4.15Å; F76-R148 HydrophobicContact CZ-CB 4.47Å; F76-R148 HydrophobicContact CZ-CG 3.65Å; F76-R148 VanDerWaalsContact O-CZ 3.23Å; F76-R148 PolarHBondContact O-NH1 3.37Å; F76-R148 PolarHBondContact O-NH2 3.06Å; L130-R148 HydrophobicContact CD2-CB 4.08Å; P143-R148 PolarHBondContact O-NE 2.76Å; P143-R148 VanDerWaalsContact O-NE 3.1Å; P143-R148 PolarHBondContact O-NH2 2.94Å; M144-R148 WeakPolarHBondContact O-CB 3.35Å; M144-R148 VanDerWaalsContact O-CG 3.29Å; M144-R148 WeakPolarHBondContact O-CG 3.2Å; M144-R148 PolarHBondContact O-N 3.26Å; L145-R148 PolarHBondContact O-N 2.81Å; R148-V151 WeakPolarHBondContact O-CG2 3.47Å; R148-L152 VanDerWaalsContact O-CB 3.22Å; R148-L152 WeakPolarHBondContact O-CB 3.28Å; R148-L152 PolarHBondContact O-N 2.82Å
149H98.8Very high97.3Very high33 Ų3347.1 Ų47.115%0.15323%0.228CC..Hα-helixtrans-56.5-52.1173.2175.4-92.4000110.8M125 V127 L130 L145 E147 V151 L152 T153M125-H149 PolarHBondContact O-NE2 3.28Å; V127-H149 HydrophobicContact CG2-CB 4.06Å; L130-H149 VanDerWaalsContact CD2-CA 3.44Å; L130-H149 HydrophobicContact CD2-CB 3.71Å; L145-H149 WeakPolarHBondContact O-CB 3.17Å; L145-H149 PolarHBondContact O-N 3.24Å; E147-H149 VanDerWaalsContact C-N 3.33Å; E147-H149 PolarHBondContact O-N 3.45Å; H149-V151 PolarHBondContact O-N 2.93Å; H149-L152 PolarHBondContact O-N 2.7Å; H149-T153 PolarHBondContact NE2-OG1 3.44Å; H149-T153 VanDerWaalsContact O-CB 3.29Å; H149-T153 WeakPolarHBondContact O-CB 3.48Å; H149-T153 PolarHBondContact O-N 2.93Å; H149-T153 PolarHBondContact O-OG1 3.21Å
150R98.8Very high97.5Very high160 Ų16042.6 Ų42.660%0.60420%0.203SC*.Hα-helixtrans-57.2-49.7-177.8-168.8-174.1-52.5164.29.7112.8E146 E147 E154E146-R150 WeakPolarHBondContact O-CB 3.48Å; E146-R150 PolarHBondContact O-N 2.82Å; E147-R150 PolarHBondContact O-N 2.98Å; R150-E154 WeakPolarHBondContact O-CB 3.48Å; R150-E154 PolarHBondContact O-N 3.14Å
151V98.7Very high97.7Very high5 Ų548.2 Ų48.23%0.0323%0.228CC..Hα-helixtrans-70.8-35.3-177.4-58.80000112.1T73 F76 E147 R148 H149 E154 G155 I337T73-V151 HydrophobicContact CG2-CB 4.15Å; T73-V151 HydrophobicContact CG2-CG2 3.81Å; T73-V151 WeakPolarHBondContact O-CG2 3.43Å; F76-V151 HydrophobicContact CE1-CG2 3.88Å; F76-V151 HydrophobicContact CZ-CG2 4.11Å; E147-V151 WeakPolarHBondContact O-CG1 3.06Å; E147-V151 WeakPolarHBondContact O-CG2 3.48Å; E147-V151 PolarHBondContact O-N 2.92Å; R148-V151 WeakPolarHBondContact O-CG2 3.47Å; H149-V151 PolarHBondContact O-N 2.93Å; V151-E154 PolarHBondContact O-N 3.41Å; V151-G155 PolarHBondContact O-N 3.05Å; V151-I337 HydrophobicContact CG1-CB 4.49Å; V151-I337 HydrophobicContact CG1-CD1 4.06Å; V151-I337 HydrophobicContact CG1-CG2 4.36Å
152L98.4Very high97.7Very high0 Ų046.8 Ų46.80%021%0.213CC..Hα-helixtrans-71.9-41.6178-173.757.7000111.2V70 T73 M74 F122 M125 R148 H149 G155 G156V70-L152 HydrophobicContact CB-CD1 4.4Å; V70-L152 HydrophobicContact CG1-CD1 4.29Å; V70-L152 HydrophobicContact CG1-CD2 4.17Å; V70-L152 HydrophobicContact CG2-CD1 4.14Å; T73-L152 HydrophobicContact CG2-CB 4.31Å; T73-L152 HydrophobicContact CG2-CD1 4.19Å; M74-L152 HydrophobicContact CE-CD2 3.69Å; M74-L152 HydrophobicContact SD-CD2 3.9Å; F122-L152 HydrophobicContact CB-CD2 4.08Å; F122-L152 HydrophobicContact CB-CG 3.96Å; F122-L152 HydrophobicContact CD1-CD1 4.48Å; F122-L152 HydrophobicContact CD2-CD1 3.63Å; F122-L152 HydrophobicContact CD2-CG 3.68Å; F122-L152 WeakPolarHBondContact CD2-O 3.07Å; F122-L152 HydrophobicContact CE2-CD1 3.72Å; F122-L152 HydrophobicContact CE2-CG 4.27Å; F122-L152 WeakPolarHBondContact CE2-O 3.41Å; F122-L152 HydrophobicContact CG-CD1 4.02Å; F122-L152 HydrophobicContact CG-CD2 4.41Å; F122-L152 HydrophobicContact CG-CG 3.95Å; F122-L152 HydrophobicContact CZ-CD1 4.23Å; M125-L152 HydrophobicContact CE-CB 4.4Å; M125-L152 HydrophobicContact CE-CD2 3.54Å; M125-L152 HydrophobicContact CE-CG 4.09Å; R148-L152 VanDerWaalsContact O-CB 3.22Å; R148-L152 WeakPolarHBondContact O-CB 3.28Å; R148-L152 PolarHBondContact O-N 2.82Å; H149-L152 PolarHBondContact O-N 2.7Å; L152-G155 PolarHBondContact O-N 3.2Å; L152-G156 PolarHBondContact O-N 3.29Å
153T98.6Very high97.7Very high9 Ų949.3 Ų49.36%0.05524%0.241CC..Hα-helixtrans-63.1-40.4173.1-68.10000112.2F122 S123 H149 G156 R157F122-T153 WeakPolarHBondContact O-CA 3.27Å; F122-T153 PolarHBondContact O-OG1 3.24Å; F122-T153 VanDerWaalsContact O-OG1 3.11Å; S123-T153 WeakPolarHBondContact O-CG2 3.44Å; H149-T153 PolarHBondContact NE2-OG1 3.44Å; H149-T153 VanDerWaalsContact O-CB 3.29Å; H149-T153 WeakPolarHBondContact O-CB 3.48Å; H149-T153 PolarHBondContact O-N 2.93Å; H149-T153 PolarHBondContact O-OG1 3.21Å; T153-G156 PolarHBondContact O-N 3.28Å; T153-R157 WeakPolarHBondContact O-CG 3.25Å; T153-R157 PolarHBondContact O-N 3.31Å; T153-R157 VanDerWaalsContact O-N 3.13Å
154E98.6Very high97.6Very high53 Ų5349.4 Ų49.425%0.24825%0.247CC..Hα-helixtrans-56.2-54.6170.3177.3-174.297.300110.5R150 V151 G156 R157 V158 S190R150-E154 WeakPolarHBondContact O-CB 3.48Å; R150-E154 PolarHBondContact O-N 3.14Å; V151-E154 PolarHBondContact O-N 3.41Å; E154-G156 VanDerWaalsContact C-N 3.27Å; E154-G156 PolarHBondContact O-N 3.06Å; E154-R157 PolarHBondContact O-N 3.27Å; E154-V158 WeakPolarHBondContact O-CG2 3.45Å; E154-V158 PolarHBondContact O-N 3.4Å; E154-V158 VanDerWaalsContact O-N 3.08Å; E154-S190 WeakPolarHBondContact OE1-CB 3.28Å; E154-S190 PolarHBondContact OE1-N 2.89Å; E154-S190 PolarHBondContact OE1-OG 3.21Å
155G98.3Very high97.5Very high0 Ų049.3 Ų49.30%025%0.249CC..Hα-helixtrans-52.5-45.8177.800000112.3V151 L152 R157 V158 L159V151-G155 PolarHBondContact O-N 3.05Å; L152-G155 PolarHBondContact O-N 3.2Å; G155-R157 PolarHBondContact O-N 3.1Å; G155-V158 PolarHBondContact O-N 3.46Å; G155-L159 WeakPolarHBondContact O-CB 3.04Å; G155-L159 VanDerWaalsContact O-CG 3.3Å; G155-L159 WeakPolarHBondContact O-CG 3.37Å; G155-L159 PolarHBondContact O-N 3.05Å
156G98.1Very high97.3Very high0 Ų047.6 Ų47.60%024%0.24CC..Hα-helixtrans-63.9-42.9-177.700000112.5F122 L152 T153 E154 V158 L159 L160F122-G156 VanDerWaalsContact CE2-N 3.32Å; L152-G156 PolarHBondContact O-N 3.29Å; T153-G156 PolarHBondContact O-N 3.28Å; E154-G156 VanDerWaalsContact C-N 3.27Å; E154-G156 PolarHBondContact O-N 3.06Å; G156-V158 PolarHBondContact O-N 3.44Å; G156-L159 PolarHBondContact O-N 3.46Å; G156-L160 WeakPolarHBondContact O-CB 3.42Å; G156-L160 VanDerWaalsContact O-CG 3.26Å; G156-L160 WeakPolarHBondContact O-CG 3.46Å; G156-L160 PolarHBondContact O-N 3.46Å
157R98.4Very high97Very high151 Ų15147.6 Ų47.657%0.5724%0.235SC*.Hα-helixtrans-63.6-41.8177.2-69.6173.5-175.4174.12111.7T153 E154 G155 L160 Q161T153-R157 WeakPolarHBondContact O-CG 3.25Å; T153-R157 PolarHBondContact O-N 3.31Å; T153-R157 VanDerWaalsContact O-N 3.13Å; E154-R157 PolarHBondContact O-N 3.27Å; G155-R157 PolarHBondContact O-N 3.1Å; R157-L160 PolarHBondContact O-N 3.4Å; R157-Q161 WeakPolarHBondContact O-CG 3.46Å; R157-Q161 PolarHBondContact O-N 3.07Å
158V98.2Very high96.8Very high15 Ų1547.4 Ų47.49%0.09124%0.24CC..Hα-helixtrans-66.3-45.6176.9175.40000110.7E154 G155 G156 L160 Q161 H162 F169 N187 L188E154-V158 WeakPolarHBondContact O-CG2 3.45Å; E154-V158 PolarHBondContact O-N 3.4Å; E154-V158 VanDerWaalsContact O-N 3.08Å; G155-V158 PolarHBondContact O-N 3.46Å; G156-V158 PolarHBondContact O-N 3.44Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 2.9Å; V158-Q161 WeakPolarHBondContact O-CB 3.48Å; V158-Q161 PolarHBondContact O-N 2.88Å; V158-Q161 VanDerWaalsContact O-N 3.13Å; V158-H162 PolarHBondContact O-N 2.68Å; V158-H162 PolarHBondContact O-ND1 2.86Å; V158-F169 HydrophobicContact CG1-CD2 4.21Å; V158-F169 HydrophobicContact CG1-CE2 3.87Å; V158-N187 HydrophobicContact CG1-CB 4.08Å; V158-L188 HydrophobicContact CB-CD2 3.74Å; V158-L188 HydrophobicContact CG1-CD2 3.93Å; V158-L188 HydrophobicContact CG1-CG 4.36Å; V158-L188 HydrophobicContact CG2-CD2 3.84Å
159L97.8Very high96.7Very high2 Ų247.4 Ų47.41%0.0124%0.24CC..Hα-helixtrans-60.1-40.9177.4-69.3-170.9000112.1F69 P119 F122 G155 G156 Q161 H162 G163 G164 F166 F169F69-L159 HydrophobicContact CD1-CD1 3.68Å; F69-L159 HydrophobicContact CD2-CD1 4.25Å; F69-L159 HydrophobicContact CE1-CD1 3.43Å; F69-L159 VanDerWaalsContact CE1-CD1 3.43Å; F69-L159 HydrophobicContact CE1-CG 4.11Å; F69-L159 HydrophobicContact CE2-CD1 4.02Å; F69-L159 HydrophobicContact CE2-CD2 4.15Å; F69-L159 HydrophobicContact CE2-CG 4.26Å; F69-L159 HydrophobicContact CG-CD1 4.09Å; F69-L159 HydrophobicContact CZ-CD1 3.61Å; F69-L159 HydrophobicContact CZ-CD2 4.21Å; F69-L159 HydrophobicContact CZ-CG 3.83Å; P119-L159 HydrophobicContact CB-CB 3.99Å; P119-L159 HydrophobicContact CB-CD1 4.33Å; P119-L159 HydrophobicContact CG-CB 4.08Å; P119-L159 HydrophobicContact CG-CD1 3.73Å; F122-L159 HydrophobicContact CZ-CD1 4.19Å; G155-L159 WeakPolarHBondContact O-CB 3.04Å; G155-L159 VanDerWaalsContact O-CG 3.3Å; G155-L159 WeakPolarHBondContact O-CG 3.37Å; G155-L159 PolarHBondContact O-N 3.05Å; G156-L159 PolarHBondContact O-N 3.46Å; L159-Q161 VanDerWaalsContact C-N 3.27Å; L159-Q161 PolarHBondContact O-N 3.37Å; L159-H162 CarbonylContact O-C 3.6Å; L159-H162 VanDerWaalsContact O-C 3.32Å; L159-H162 WeakPolarHBondContact O-CA 3.38Å; L159-H162 PolarHBondContact O-N 2.91Å; L159-G163 PolarHBondContact O-N 3.31Å; L159-G164 WeakPolarHBondContact O-CA 3.48Å; L159-G164 PolarHBondContact O-N 3.3Å; L159-F166 HydrophobicContact CD1-CB 4.39Å; L159-F166 HydrophobicContact CD2-CB 4.43Å; L159-F166 HydrophobicContact CD2-CD2 4.37Å; L159-F169 HydrophobicContact CD2-CB 3.4Å; L159-F169 HydrophobicContact CD2-CD1 4.09Å; L159-F169 HydrophobicContact CD2-CD2 4.33Å; L159-F169 HydrophobicContact CD2-CG 3.69Å
160L98.1Very high96.5Very high77 Ų7746 Ų4640%0.40323%0.234SC..Hα-helixtrans-61.4-33.4176.6-73.8174.5000113.1P119 S123 G156 R157 V158 H162P119-L160 HydrophobicContact CB-CD2 4.29Å; P119-L160 HydrophobicContact CB-CG 4.25Å; S123-L160 VanDerWaalsContact OG-CD1 3.31Å; S123-L160 WeakPolarHBondContact OG-CD1 3.41Å; G156-L160 WeakPolarHBondContact O-CB 3.42Å; G156-L160 VanDerWaalsContact O-CG 3.26Å; G156-L160 WeakPolarHBondContact O-CG 3.46Å; G156-L160 PolarHBondContact O-N 3.46Å; R157-L160 PolarHBondContact O-N 3.4Å; V158-L160 VanDerWaalsContact C-N 3.32Å; V158-L160 PolarHBondContact O-N 2.9Å; L160-H162 PolarHBondContact O-N 3.5Å
161Q97.3Very high96.3Very high149 Ų14942 Ų4270%0.69623%0.23SC*.Hα-helixtrans-70.3-20.1173.9-67.11690.400112.7R157 V158 L159R157-Q161 WeakPolarHBondContact O-CG 3.46Å; R157-Q161 PolarHBondContact O-N 3.07Å; V158-Q161 WeakPolarHBondContact O-CB 3.48Å; V158-Q161 PolarHBondContact O-N 2.88Å; V158-Q161 VanDerWaalsContact O-N 3.13Å; L159-Q161 VanDerWaalsContact C-N 3.27Å; L159-Q161 PolarHBondContact O-N 3.37Å
162H95.8Very high96.2Very high63 Ų6346.3 Ų46.329%0.29226%0.258SS..THydrogen-bonded Turntrans-115.338.7-175.6-61.783.5000112.5V158 L159 L160 S168 F169V158-H162 PolarHBondContact O-N 2.68Å; V158-H162 PolarHBondContact O-ND1 2.86Å; L159-H162 CarbonylContact O-C 3.6Å; L159-H162 VanDerWaalsContact O-C 3.32Å; L159-H162 WeakPolarHBondContact O-CA 3.38Å; L159-H162 PolarHBondContact O-N 2.91Å; L160-H162 PolarHBondContact O-N 3.5Å; H162-S168 CarbonylContact O-C 3.37Å; H162-S168 WeakPolarHBondContact O-CB 3.43Å; H162-F169 HydrophobicContact CB-CB 4.04Å; H162-F169 HydrophobicContact CB-CD2 3.97Å; H162-F169 AromaticContact CG-CD2 3.76Å; H162-F169 AromaticContact ND1-CD2 3.93Å
163G94.1Very high96.1Very high63 Ų6346.6 Ų46.665%0.64926%0.26SS*.THydrogen-bonded Turntrans87.68.4174.500000115.3L159 S165L159-G163 PolarHBondContact O-N 3.31Å; G163-S165 PolarHBondContact O-N 2.96Å
164G93.7Very high95.8Very high27 Ų2748.3 Ų48.328%0.27828%0.279SS..SBendtrans79.216.9166.600000115.8P119 L159P119-G164 WeakPolarHBondContact CG-O 3.47Å; L159-G164 WeakPolarHBondContact O-CA 3.48Å; L159-G164 PolarHBondContact O-N 3.3Å
165S93.1Very high95.4Very high27 Ų2751.2 Ų51.219%0.18929%0.288CS..SBendtrans-150156.6173.677.60000111.7G163 R167 S168 F169G163-S165 PolarHBondContact O-N 2.96Å; S165-R167 VanDerWaalsContact C-N 3.27Å; S165-R167 PolarHBondContact O-N 3.43Å; S165-S168 PolarHBondContact O-N 3.28Å; S165-S168 WeakPolarHBondContact OG-CB 3.39Å; S165-S168 PolarHBondContact OG-N 3.41Å; S165-S168 PolarHBondContact OG-OG 2.9Å; S165-F169 WeakPolarHBondContact O-CB 3.41Å; S165-F169 PolarHBondContact O-N 2.98Å
166F93.2Very high95.3Very high1 Ų152.3 Ų52.30%0.00429%0.294CS..Hα-helixtrans-62.7-36.5174.4-179.8-118.7000111.8F69 L159 S168 F169 I170 L211 F215F69-F166 HydrophobicContact CB-CB 4.06Å; F69-F166 HydrophobicContact CB-CG 4.23Å; F69-F166 HydrophobicContact CD2-CB 3.97Å; F69-F166 AromaticContact CD2-CD2 3.39Å; F69-F166 HydrophobicContact CD2-CD2 3.39Å; F69-F166 HydrophobicContact CD2-CE2 4.04Å; F69-F166 AromaticContact CD2-CG 3.73Å; F69-F166 HydrophobicContact CD2-CG 3.73Å; F69-F166 AromaticContact CE2-CD2 3.84Å; F69-F166 HydrophobicContact CE2-CD2 3.84Å; F69-F166 HydrophobicContact CE2-CE2 4.4Å; F69-F166 HydrophobicContact CG-CB 4.15Å; F69-F166 HydrophobicContact CG-CD2 4.36Å; F69-F166 HydrophobicContact CG-CG 4.3Å; L159-F166 HydrophobicContact CD1-CB 4.39Å; L159-F166 HydrophobicContact CD2-CB 4.43Å; L159-F166 HydrophobicContact CD2-CD2 4.37Å; F166-S168 PolarHBondContact O-N 3.38Å; F166-F169 AromaticContact CD2-CD1 3.88Å; F166-F169 HydrophobicContact CD2-CD1 3.88Å; F166-F169 AromaticContact CE2-CD1 3.89Å; F166-F169 HydrophobicContact CE2-CD1 3.89Å; F166-F169 HydrophobicContact CE2-CE1 4.29Å; F166-F169 PolarHBondContact O-N 3.49Å; F166-I170 HydrophobicContact CE2-CB 4.24Å; F166-I170 HydrophobicContact CE2-CD1 4.3Å; F166-I170 HydrophobicContact CE2-CG1 4.45Å; F166-I170 HydrophobicContact CZ-CB 4.18Å; F166-I170 HydrophobicContact CZ-CD1 4.25Å; F166-I170 HydrophobicContact CZ-CG1 4.12Å; F166-I170 WeakPolarHBondContact O-CB 3.29Å; F166-I170 WeakPolarHBondContact O-CG2 3.44Å; F166-I170 PolarHBondContact O-N 2.9Å; F166-L211 HydrophobicContact CD1-CD1 4.5Å; F166-L211 HydrophobicContact CD2-CD2 4.42Å; F166-L211 HydrophobicContact CE1-CD1 3.91Å; F166-L211 HydrophobicContact CE1-CG 4.17Å; F166-L211 HydrophobicContact CE2-CD1 4.31Å; F166-L211 HydrophobicContact CE2-CD2 3.62Å; F166-L211 HydrophobicContact CE2-CG 4.02Å; F166-L211 HydrophobicContact CZ-CD1 3.81Å; F166-L211 HydrophobicContact CZ-CD2 3.74Å; F166-L211 HydrophobicContact CZ-CG 3.58Å; F166-F215 HydrophobicContact CD1-CD2 4.17Å; F166-F215 HydrophobicContact CE1-CB 4.17Å; F166-F215 AromaticContact CE1-CD2 3.7Å; F166-F215 HydrophobicContact CE1-CD2 3.7Å; F166-F215 HydrophobicContact CE1-CE2 4.41Å; F166-F215 HydrophobicContact CE1-CG 4.08Å
167R92.2Very high95.3Very high111 Ų11152.3 Ų52.342%0.41929%0.294SS..Hα-helixtrans-62.1-43176.9-165171.5-158.1-114.46.2112S165 S171 E224S165-R167 VanDerWaalsContact C-N 3.27Å; S165-R167 PolarHBondContact O-N 3.43Å; R167-S171 WeakPolarHBondContact O-CB 3.44Å; R167-S171 PolarHBondContact O-N 3.1Å; R167-S171 VanDerWaalsContact O-N 3.09Å; R167-E224 IonicContact NH2-OE1 3.96Å; R167-E224 IonicContact NH2-OE2 2.87Å; R167-E224 PolarHBondContact NH2-OE2 3.3Å
168S94.2Very high95.2Very high49 Ų4949.2 Ų49.234%0.34329%0.286SS..Hα-helixtrans-65.5-44.8175.5-590000111.1H162 S165 F166 I170 S171H162-S168 CarbonylContact O-C 3.37Å; H162-S168 WeakPolarHBondContact O-CB 3.43Å; S165-S168 PolarHBondContact O-N 3.28Å; S165-S168 WeakPolarHBondContact OG-CB 3.39Å; S165-S168 PolarHBondContact OG-N 3.41Å; S165-S168 PolarHBondContact OG-OG 2.9Å; F166-S168 PolarHBondContact O-N 3.38Å; S168-I170 PolarHBondContact O-N 2.95Å; S168-S171 PolarHBondContact O-N 2.99Å; S168-S171 PolarHBondContact O-OG 3.31Å
169F96.2Very high95.2Very high1 Ų153.6 Ų53.60%0.00430%0.304CS..Hα-helixtrans-58.2-46.3176.8169.6-101.4000112.5V158 L159 H162 S165 F166 P172 L183 I184 N187 L188V158-F169 HydrophobicContact CG1-CD2 4.21Å; V158-F169 HydrophobicContact CG1-CE2 3.87Å; L159-F169 HydrophobicContact CD2-CB 3.4Å; L159-F169 HydrophobicContact CD2-CD1 4.09Å; L159-F169 HydrophobicContact CD2-CD2 4.33Å; L159-F169 HydrophobicContact CD2-CG 3.69Å; H162-F169 HydrophobicContact CB-CB 4.04Å; H162-F169 HydrophobicContact CB-CD2 3.97Å; H162-F169 AromaticContact CG-CD2 3.76Å; H162-F169 AromaticContact ND1-CD2 3.93Å; S165-F169 WeakPolarHBondContact O-CB 3.41Å; S165-F169 PolarHBondContact O-N 2.98Å; F166-F169 AromaticContact CD2-CD1 3.88Å; F166-F169 HydrophobicContact CD2-CD1 3.88Å; F166-F169 AromaticContact CE2-CD1 3.89Å; F166-F169 HydrophobicContact CE2-CD1 3.89Å; F166-F169 HydrophobicContact CE2-CE1 4.29Å; F166-F169 PolarHBondContact O-N 3.49Å; F169-P172 WeakPolarHBondContact O-CD 3.37Å; F169-L183 HydrophobicContact CE1-CG 4.46Å; F169-L183 HydrophobicContact CE2-CG 4.4Å; F169-L183 HydrophobicContact CZ-CG 4.07Å; F169-L183 WeakPolarHBondContact O-CD2 3.37Å; F169-I184 HydrophobicContact CE1-CG1 3.99Å; F169-N187 HydrophobicContact CE2-CB 3.72Å; F169-N187 HydrophobicContact CZ-CB 3.94Å; F169-L188 HydrophobicContact CE1-CD1 4.26Å; F169-L188 HydrophobicContact CZ-CD1 4.23Å
170I95Very high95.2Very high4 Ų453.6 Ų53.62%0.02130%0.304CS..Hα-helixtrans-81.4-15.9-175.3-151.460.7000113.3F166 S168 A173 M180 L183 I184 F215F166-I170 HydrophobicContact CE2-CB 4.24Å; F166-I170 HydrophobicContact CE2-CD1 4.3Å; F166-I170 HydrophobicContact CE2-CG1 4.45Å; F166-I170 HydrophobicContact CZ-CB 4.18Å; F166-I170 HydrophobicContact CZ-CD1 4.25Å; F166-I170 HydrophobicContact CZ-CG1 4.12Å; F166-I170 WeakPolarHBondContact O-CB 3.29Å; F166-I170 WeakPolarHBondContact O-CG2 3.44Å; F166-I170 PolarHBondContact O-N 2.9Å; S168-I170 PolarHBondContact O-N 2.95Å; I170-A173 WeakPolarHBondContact O-CB 3.47Å; I170-A173 PolarHBondContact O-N 2.92Å; I170-M180 HydrophobicContact CD1-CB 3.72Å; I170-M180 HydrophobicContact CD1-CG 3.79Å; I170-M180 HydrophobicContact CG1-CB 4.1Å; I170-M180 HydrophobicContact CG1-CE 4.35Å; I170-M180 HydrophobicContact CG1-CG 3.63Å; I170-M180 HydrophobicContact CG1-SD 3.99Å; I170-L183 HydrophobicContact CD1-CD2 4.26Å; I170-I184 HydrophobicContact CD1-CD1 4.22Å; I170-I184 HydrophobicContact CD1-CG1 4.13Å; I170-F215 HydrophobicContact CG2-CE1 4.31Å; I170-F215 HydrophobicContact CG2-CE2 4.2Å; I170-F215 HydrophobicContact CG2-CZ 3.93Å
171S94.8Very high95.2Very high74 Ų7450.5 Ų50.552%0.51729%0.288SS..G310 helixtrans-54.5-34.6-176.570.30000116.2R167 S168 A173 G174R167-S171 WeakPolarHBondContact O-CB 3.44Å; R167-S171 PolarHBondContact O-N 3.1Å; R167-S171 VanDerWaalsContact O-N 3.09Å; S168-S171 PolarHBondContact O-N 2.99Å; S168-S171 PolarHBondContact O-OG 3.31Å; S171-A173 PolarHBondContact O-N 2.86Å; S171-G174 PolarHBondContact O-N 3.44Å
172P96.6Very high95.3Very high97 Ų9747.6 Ų47.663%0.6327%0.274SS*.G310 helixtrans-65.2-23.8177.5-21.235.6000113.7F169 G174 L183F169-P172 WeakPolarHBondContact O-CD 3.37Å; P172-G174 PolarHBondContact O-N 3.16Å; P172-L183 HydrophobicContact CB-CD2 4.5Å; P172-L183 HydrophobicContact CG-CD2 4.49Å
173A95.4Very high95.4Very high6 Ų646.2 Ų46.25%0.0527%0.269CS..G310 helixtrans-74-8.7173.200000112.8I170 S171 R175 D176 K179 M180 L183I170-A173 WeakPolarHBondContact O-CB 3.47Å; I170-A173 PolarHBondContact O-N 2.92Å; S171-A173 PolarHBondContact O-N 2.86Å; A173-R175 PolarHBondContact O-N 3.25Å; A173-D176 WeakPolarHBondContact O-CB 3.17Å; A173-D176 PolarHBondContact O-N 2.94Å; A173-K179 HydrophobicContact CB-CB 3.71Å; A173-M180 HydrophobicContact CB-CB 4.33Å; A173-M180 HydrophobicContact CB-CG 3.65Å; A173-L183 HydrophobicContact CB-CD2 4.3Å
174G92.1Very high95.6Very high44 Ų4443.2 Ų43.245%0.45424%0.238SC..THydrogen-bonded Turntrans64.1-131.8-17300000110.8S171 P172 M180S171-G174 PolarHBondContact O-N 3.44Å; P172-G174 PolarHBondContact O-N 3.16Å; G174-M180 WeakPolarHBondContact O-CE 3.47Å
175R90.8Very high95.8Very high114 Ų11442.4 Ų42.443%0.4323%0.228SC..THydrogen-bonded Turntrans-109.726.9173.5-63.2-175.5179.2173.1-6.2112.1A173 M219 E224 M227 P228A173-R175 PolarHBondContact O-N 3.25Å; R175-M219 HydrophobicContact CG-CE 4.05Å; R175-E224 PolarHBondContact NH1-O 2.86Å; R175-E224 PolarHBondContact NH2-O 3.47Å; R175-M227 CarbonylContact O-C 3.55Å; R175-M227 WeakPolarHBondContact O-CA 3.44Å; R175-M227 WeakPolarHBondContact O-CG 3.47Å; R175-P228 WeakPolarHBondContact O-CD 3.49Å; R175-P228 WeakPolarHBondContact O-CG 3.47Å
176D96.6Very high96Very high24 Ų2446.2 Ų46.213%0.12825%0.246CC..  trans-98.6110.1-174.9-171.7-38.8000110.3A173 Q178 K179 M180 N229A173-D176 WeakPolarHBondContact O-CB 3.17Å; A173-D176 PolarHBondContact O-N 2.94Å; D176-Q178 PolarHBondContact O-N 2.8Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.42Å; D176-Q178 PolarHBondContact OD1-N 2.87Å; D176-Q178 VanDerWaalsContact OD1-N 3.12Å; D176-K179 HydrophobicContact CB-CB 4.09Å; D176-K179 HydrophobicContact CB-CD 3.91Å; D176-K179 HydrophobicContact CB-CG 4Å; D176-K179 PolarHBondContact O-N 3.5Å; D176-K179 VanDerWaalsContact O-N 3.14Å; D176-K179 PolarHBondContact OD1-N 3.21Å; D176-K179 IonicContact OD2-NZ 3.46Å; D176-M180 VanDerWaalsContact O-CG 3.28Å; D176-M180 WeakPolarHBondContact O-CG 3.32Å; D176-M180 PolarHBondContact O-N 2.95Å; D176-N229 PolarHBondContact OD1-ND2 3.4Å; D176-N229 PolarHBondContact OD2-ND2 3.27Å
177A97.1Very high96.2Very high0 Ų048.9 Ų48.90%026%0.26CS..Hα-helixtrans-57.9-34.6-174.600000112.7M180 V181 V212 M227 P228 L230 I232A177-M180 PolarHBondContact O-N 3.4Å; A177-V181 WeakPolarHBondContact O-CG2 3.33Å; A177-V181 PolarHBondContact O-N 2.65Å; A177-V181 VanDerWaalsContact O-N 3.1Å; A177-V212 HydrophobicContact CB-CG1 3.9Å; A177-M227 HydrophobicContact CB-CG 4.25Å; A177-M227 HydrophobicContact CB-SD 4Å; A177-P228 PolarHBondContact N-O 3.1Å; A177-P228 VanDerWaalsContact N-O 3.07Å; A177-L230 HydrophobicContact CB-CD2 4.41Å; A177-L230 HydrophobicContact CB-CG 4.38Å; A177-I232 HydrophobicContact CB-CG1 4.38Å
178Q97.3Very high96.5Very high86 Ų8643.6 Ų43.640%0.40224%0.24SC..Hα-helixtrans-65.5-50.6177.7-175-177.2-27.200110.8D176 M180 V181 E182 N229 I232D176-Q178 PolarHBondContact O-N 2.8Å; D176-Q178 WeakPolarHBondContact OD1-CB 3.42Å; D176-Q178 PolarHBondContact OD1-N 2.87Å; D176-Q178 VanDerWaalsContact OD1-N 3.12Å; Q178-M180 PolarHBondContact O-N 2.95Å; Q178-V181 PolarHBondContact O-N 3.23Å; Q178-E182 WeakPolarHBondContact CG-OE1 3.38Å; Q178-E182 PolarHBondContact NE2-OE1 3.06Å; Q178-E182 WeakPolarHBondContact O-CG 3.3Å; Q178-E182 PolarHBondContact O-N 3.41Å; Q178-N229 HydrophobicContact CB-CB 4.38Å; Q178-I232 HydrophobicContact CB-CD1 4.41Å; Q178-I232 HydrophobicContact CB-CG1 4.05Å; Q178-I232 HydrophobicContact CB-CG2 4.21Å
179K98.2Very high96.6Very high107 Ų10744 Ų4447%0.46524%0.242SC..Hα-helixtrans-62.7-31.5178.8-63.7-178.8-173.2169.80112A173 D176 L183A173-K179 HydrophobicContact CB-CB 3.71Å; D176-K179 HydrophobicContact CB-CB 4.09Å; D176-K179 HydrophobicContact CB-CD 3.91Å; D176-K179 HydrophobicContact CB-CG 4Å; D176-K179 PolarHBondContact O-N 3.5Å; D176-K179 VanDerWaalsContact O-N 3.14Å; D176-K179 PolarHBondContact OD1-N 3.21Å; D176-K179 IonicContact OD2-NZ 3.46Å; K179-L183 VanDerWaalsContact O-CB 3.23Å; K179-L183 WeakPolarHBondContact O-CB 3.35Å; K179-L183 PolarHBondContact O-N 3.34Å
180M98.3Very high96.7Very high1 Ų144.3 Ų44.31%0.00524%0.244CC..Hα-helixtrans-64.9-48.5175.1-69.8-175.6-178.100111.5I170 A173 G174 D176 A177 Q178 L183 I184 V212 F215 M227I170-M180 HydrophobicContact CD1-CB 3.72Å; I170-M180 HydrophobicContact CD1-CG 3.79Å; I170-M180 HydrophobicContact CG1-CB 4.1Å; I170-M180 HydrophobicContact CG1-CE 4.35Å; I170-M180 HydrophobicContact CG1-CG 3.63Å; I170-M180 HydrophobicContact CG1-SD 3.99Å; A173-M180 HydrophobicContact CB-CB 4.33Å; A173-M180 HydrophobicContact CB-CG 3.65Å; G174-M180 WeakPolarHBondContact O-CE 3.47Å; D176-M180 VanDerWaalsContact O-CG 3.28Å; D176-M180 WeakPolarHBondContact O-CG 3.32Å; D176-M180 PolarHBondContact O-N 2.95Å; A177-M180 PolarHBondContact O-N 3.4Å; Q178-M180 PolarHBondContact O-N 2.95Å; M180-L183 PolarHBondContact O-N 2.63Å; M180-I184 WeakPolarHBondContact O-CD1 3.41Å; M180-I184 VanDerWaalsContact O-CG1 3.25Å; M180-I184 WeakPolarHBondContact O-CG1 3.48Å; M180-I184 PolarHBondContact O-N 3.24Å; M180-V212 HydrophobicContact CB-CG1 4.19Å; M180-V212 HydrophobicContact CB-CG2 3.61Å; M180-V212 HydrophobicContact SD-CG1 4.11Å; M180-F215 HydrophobicContact CE-CD1 4.1Å; M180-F215 HydrophobicContact CE-CE1 3.67Å; M180-F215 HydrophobicContact SD-CD1 3.9Å; M180-F215 HydrophobicContact SD-CE1 4.08Å; M180-M227 HydrophobicContact CE-CE 4.18Å; M180-M227 HydrophobicContact SD-CE 4.1Å; M180-M227 HydrophobicContact SD-SD 4.15Å
181V98.3Very high96.8Very high12 Ų1244.1 Ų44.17%0.07324%0.243CC..Hα-helixtrans-60.4-46.6175.8173.70000110.6A177 Q178 L183 I184 V185 Y205 A208 V212 I232 L233A177-V181 WeakPolarHBondContact O-CG2 3.33Å; A177-V181 PolarHBondContact O-N 2.65Å; A177-V181 VanDerWaalsContact O-N 3.1Å; Q178-V181 PolarHBondContact O-N 3.23Å; V181-L183 PolarHBondContact O-N 2.97Å; V181-I184 PolarHBondContact O-N 3.34Å; V181-V185 HydrophobicContact CG1-CG2 4.26Å; V181-V185 WeakPolarHBondContact O-CB 3.34Å; V181-V185 VanDerWaalsContact O-CG2 3.3Å; V181-V185 WeakPolarHBondContact O-CG2 3.4Å; V181-V185 PolarHBondContact O-N 2.88Å; V181-Y205 HydrophobicContact CG1-CD2 4.33Å; V181-A208 HydrophobicContact CG1-CB 4.35Å; V181-V212 HydrophobicContact CG2-CB 4.32Å; V181-V212 HydrophobicContact CG2-CG2 3.77Å; V181-I232 HydrophobicContact CG2-CD1 4.05Å; V181-L233 HydrophobicContact CG2-CD2 3.83Å
182E97.8Very high96.9Very high88 Ų8845.1 Ų45.141%0.41124%0.236SC..Hα-helixtrans-56.5-49.9176.8-71.1168.9-177.700111.2Q178 I184 V185 D186Q178-E182 WeakPolarHBondContact CG-OE1 3.38Å; Q178-E182 PolarHBondContact NE2-OE1 3.06Å; Q178-E182 WeakPolarHBondContact O-CG 3.3Å; Q178-E182 PolarHBondContact O-N 3.41Å; E182-I184 VanDerWaalsContact C-N 3.34Å; E182-I184 PolarHBondContact O-N 2.79Å; E182-V185 PolarHBondContact O-N 3.42Å; E182-D186 VanDerWaalsContact O-CB 3.3Å; E182-D186 WeakPolarHBondContact O-CB 3.5Å; E182-D186 VanDerWaalsContact O-CG 3.3Å; E182-D186 PolarHBondContact O-N 2.93Å
183L98.2Very high97Very high35 Ų3540.8 Ų40.818%0.18321%0.207CC..Hα-helixtrans-61.8-40.9-179.6-171.967.3000112.5F169 I170 P172 A173 K179 M180 V181 N187F169-L183 HydrophobicContact CE1-CG 4.46Å; F169-L183 HydrophobicContact CE2-CG 4.4Å; F169-L183 HydrophobicContact CZ-CG 4.07Å; F169-L183 WeakPolarHBondContact O-CD2 3.37Å; I170-L183 HydrophobicContact CD1-CD2 4.26Å; P172-L183 HydrophobicContact CB-CD2 4.5Å; P172-L183 HydrophobicContact CG-CD2 4.49Å; A173-L183 HydrophobicContact CB-CD2 4.3Å; K179-L183 VanDerWaalsContact O-CB 3.23Å; K179-L183 WeakPolarHBondContact O-CB 3.35Å; K179-L183 PolarHBondContact O-N 3.34Å; M180-L183 PolarHBondContact O-N 2.63Å; V181-L183 PolarHBondContact O-N 2.97Å; L183-N187 WeakPolarHBondContact CD1-ND2 3.47Å; L183-N187 WeakPolarHBondContact O-CB 3.37Å; L183-N187 PolarHBondContact O-N 3.02Å; L183-N187 PolarHBondContact O-ND2 2.56Å
184I98.4Very high97.1Very high0 Ų043.2 Ų43.20%022%0.218CC..Hα-helixtrans-60.8-54.3175.2-71.8160.6000110F169 I170 M180 V181 E182 D186 N187 L188 Y191 A208 L211 V212F169-I184 HydrophobicContact CE1-CG1 3.99Å; I170-I184 HydrophobicContact CD1-CD1 4.22Å; I170-I184 HydrophobicContact CD1-CG1 4.13Å; M180-I184 WeakPolarHBondContact O-CD1 3.41Å; M180-I184 VanDerWaalsContact O-CG1 3.25Å; M180-I184 WeakPolarHBondContact O-CG1 3.48Å; M180-I184 PolarHBondContact O-N 3.24Å; V181-I184 PolarHBondContact O-N 3.34Å; E182-I184 VanDerWaalsContact C-N 3.34Å; E182-I184 PolarHBondContact O-N 2.79Å; I184-D186 VanDerWaalsContact C-N 3.33Å; I184-D186 PolarHBondContact O-N 3.35Å; I184-N187 PolarHBondContact O-N 3.21Å; I184-L188 HydrophobicContact CG2-CD1 4.21Å; I184-L188 WeakPolarHBondContact O-CA 3.26Å; I184-L188 VanDerWaalsContact O-CB 3.29Å; I184-L188 WeakPolarHBondContact O-CB 3.38Å; I184-L188 PolarHBondContact O-N 3.26Å; I184-Y191 HydrophobicContact CG2-CD1 3.61Å; I184-Y191 HydrophobicContact CG2-CD2 4.33Å; I184-Y191 HydrophobicContact CG2-CE1 4.2Å; I184-Y191 HydrophobicContact CG2-CG 3.66Å; I184-A208 HydrophobicContact CB-CB 4.44Å; I184-A208 HydrophobicContact CG2-CB 3.74Å; I184-L211 HydrophobicContact CD1-CB 4.42Å; I184-L211 HydrophobicContact CD1-CD2 3.88Å; I184-L211 HydrophobicContact CD1-CG 4.18Å; I184-L211 HydrophobicContact CG1-CD2 4.32Å; I184-V212 HydrophobicContact CD1-CG2 3.61Å
185V97.8Very high97.3Very high9 Ų941.9 Ų41.96%0.05520%0.202CC..Hα-helixtrans-65.3-36.6-175.3173.10000111.5V181 E182 R192 Y205 A208V181-V185 HydrophobicContact CG1-CG2 4.26Å; V181-V185 WeakPolarHBondContact O-CB 3.34Å; V181-V185 VanDerWaalsContact O-CG2 3.3Å; V181-V185 WeakPolarHBondContact O-CG2 3.4Å; V181-V185 PolarHBondContact O-N 2.88Å; E182-V185 PolarHBondContact O-N 3.42Å; V185-R192 HydrophobicContact CG1-CG 3.78Å; V185-R192 WeakPolarHBondContact O-CG 3.37Å; V185-R192 PolarHBondContact O-NE 2.61Å; V185-R192 PolarHBondContact O-NH2 3.25Å; V185-Y205 HydrophobicContact CG1-CD1 4.38Å; V185-Y205 HydrophobicContact CG1-CE1 3.7Å; V185-Y205 HydrophobicContact CG1-CE2 4.28Å; V185-Y205 HydrophobicContact CG2-CD1 3.93Å; V185-Y205 HydrophobicContact CG2-CD2 4.13Å; V185-Y205 HydrophobicContact CG2-CE1 4.07Å; V185-Y205 HydrophobicContact CG2-CE2 4.25Å; V185-Y205 HydrophobicContact CG2-CG 3.98Å; V185-A208 HydrophobicContact CG2-CB 3.99Å
186D97.3Very high97.6Very high108 Ų10841.1 Ų41.158%0.57821%0.21SC*.Hα-helixtrans-68.7-36.3179.6-77.7-15.5000112.6E182 I184 R192E182-D186 VanDerWaalsContact O-CB 3.3Å; E182-D186 WeakPolarHBondContact O-CB 3.5Å; E182-D186 VanDerWaalsContact O-CG 3.3Å; E182-D186 PolarHBondContact O-N 2.93Å; I184-D186 VanDerWaalsContact C-N 3.33Å; I184-D186 PolarHBondContact O-N 3.35Å; D186-R192 PolarHBondContact O-NH2 2.95Å
187N98.2Very high97.7Very high56 Ų5640.2 Ų40.230%0.29921%0.205SC..Hα-helixtrans-103.6-19.8-173-67.4-84000114.7V158 F169 L183 I184 P189V158-N187 HydrophobicContact CG1-CB 4.08Å; F169-N187 HydrophobicContact CE2-CB 3.72Å; F169-N187 HydrophobicContact CZ-CB 3.94Å; L183-N187 WeakPolarHBondContact CD1-ND2 3.47Å; L183-N187 WeakPolarHBondContact O-CB 3.37Å; L183-N187 PolarHBondContact O-N 3.02Å; L183-N187 PolarHBondContact O-ND2 2.56Å; I184-N187 PolarHBondContact O-N 3.21Å; N187-P189 WeakPolarHBondContact O-CD 3.13Å
188L97.7Very high97.7Very high0 Ų045.7 Ų45.70%023%0.229CC..  trans-117.889-179.3-63.1164.7000109.8F69 V158 F169 I184 S190 Y191F69-L188 HydrophobicContact CE2-CD1 4.27Å; V158-L188 HydrophobicContact CB-CD2 3.74Å; V158-L188 HydrophobicContact CG1-CD2 3.93Å; V158-L188 HydrophobicContact CG1-CG 4.36Å; V158-L188 HydrophobicContact CG2-CD2 3.84Å; F169-L188 HydrophobicContact CE1-CD1 4.26Å; F169-L188 HydrophobicContact CZ-CD1 4.23Å; I184-L188 HydrophobicContact CG2-CD1 4.21Å; I184-L188 WeakPolarHBondContact O-CA 3.26Å; I184-L188 VanDerWaalsContact O-CB 3.29Å; I184-L188 WeakPolarHBondContact O-CB 3.38Å; I184-L188 PolarHBondContact O-N 3.26Å; L188-S190 PolarHBondContact O-N 2.8Å; L188-S190 VanDerWaalsContact O-N 3.11Å; L188-Y191 HydrophobicContact CB-CD2 3.62Å; L188-Y191 HydrophobicContact CB-CE2 4.32Å; L188-Y191 HydrophobicContact CB-CG 4.31Å; L188-Y191 HydrophobicContact CD1-CD2 4.07Å; L188-Y191 HydrophobicContact CD1-CE2 4.02Å; L188-Y191 HydrophobicContact CG-CD2 4.42Å; L188-Y191 WeakPolarHBondContact O-CB 3.4Å; L188-Y191 PolarHBondContact O-N 3.07Å
189P96.6Very high97.6Very high59 Ų5945.1 Ų45.138%0.38325%0.246SC..G310 helixtrans-54.3-32.3-177.8-28.735.9000114.2N187 Y191 R192N187-P189 WeakPolarHBondContact O-CD 3.13Å; P189-Y191 PolarHBondContact O-N 3.43Å; P189-Y191 VanDerWaalsContact O-N 3.15Å; P189-R192 WeakPolarHBondContact O-CB 3.22Å; P189-R192 PolarHBondContact O-N 3.48Å
190S97.8Very high97.6Very high6 Ų643.2 Ų43.24%0.04224%0.238CC..G310 helixtrans-60-21.4174.9590000113.5E154 L188 R207 Y338E154-S190 WeakPolarHBondContact OE1-CB 3.28Å; E154-S190 PolarHBondContact OE1-N 2.89Å; E154-S190 PolarHBondContact OE1-OG 3.21Å; L188-S190 PolarHBondContact O-N 2.8Å; L188-S190 VanDerWaalsContact O-N 3.11Å; S190-R207 PolarHBondContact O-NH2 3.2Å; S190-Y338 WeakPolarHBondContact O-CE1 3.17Å
191Y98.2Very high97.6Very high1 Ų146.8 Ų46.80%0.00425%0.252CS..G310 helixtrans-86.6-6.3177.2-78.4-103000114.2T73 I184 L188 P189 D193 R207 A208 L211T73-Y191 WeakPolarHBondContact CA-OH 3.4Å; T73-Y191 PolarHBondContact N-OH 3.03Å; T73-Y191 PolarHBondContact OG1-OH 3.43Å; I184-Y191 HydrophobicContact CG2-CD1 3.61Å; I184-Y191 HydrophobicContact CG2-CD2 4.33Å; I184-Y191 HydrophobicContact CG2-CE1 4.2Å; I184-Y191 HydrophobicContact CG2-CG 3.66Å; L188-Y191 HydrophobicContact CB-CD2 3.62Å; L188-Y191 HydrophobicContact CB-CE2 4.32Å; L188-Y191 HydrophobicContact CB-CG 4.31Å; L188-Y191 HydrophobicContact CD1-CD2 4.07Å; L188-Y191 HydrophobicContact CD1-CE2 4.02Å; L188-Y191 HydrophobicContact CG-CD2 4.42Å; L188-Y191 WeakPolarHBondContact O-CB 3.4Å; L188-Y191 PolarHBondContact O-N 3.07Å; P189-Y191 PolarHBondContact O-N 3.43Å; P189-Y191 VanDerWaalsContact O-N 3.15Å; Y191-D193 PolarHBondContact O-N 2.87Å; Y191-R207 HydrophobicContact CD1-CB 3.79Å; Y191-R207 HydrophobicContact CE1-CB 3.7Å; Y191-R207 WeakPolarHBondContact CE1-O 3.34Å; Y191-A208 HydrophobicContact CD1-CB 3.89Å; Y191-L211 HydrophobicContact CE1-CB 4.38Å; Y191-L211 HydrophobicContact CE1-CD2 4.04Å
192R97.2Very high97.6Very high95 Ų9546.3 Ų46.336%0.35825%0.248SC..  trans-76.667.4-179.6-61.5177.6-174.3172.82.6112.5V185 D186 P189 E194 Y338V185-R192 HydrophobicContact CG1-CG 3.78Å; V185-R192 WeakPolarHBondContact O-CG 3.37Å; V185-R192 PolarHBondContact O-NE 2.61Å; V185-R192 PolarHBondContact O-NH2 3.25Å; D186-R192 PolarHBondContact O-NH2 2.95Å; P189-R192 WeakPolarHBondContact O-CB 3.22Å; P189-R192 PolarHBondContact O-N 3.48Å; R192-E194 HydrophobicContact CB-CG 4.49Å; R192-E194 PolarHBondContact O-N 3.38Å; R192-Y338 WeakPolarHBondContact O-CE1 3.43Å; R192-Y338 PolarHBondContact O-OH 3.03Å
193D97.5Very high97.6Very high6 Ų642.1 Ų42.13%0.03223%0.229CC..  trans-71.388.5173.5-179.915.9000110Y191 S203 L204 Y205 K206 R278 Y338Y191-D193 PolarHBondContact O-N 2.87Å; D193-S203 WeakPolarHBondContact O-CA 3.37Å; D193-L204 PolarHBondContact O-N 3.11Å; D193-L204 WeakPolarHBondContact OD2-CB 3.21Å; D193-Y205 HydrophobicContact CB-CD1 4.47Å; D193-Y205 PolarHBondContact O-N 2.99Å; D193-K206 PolarHBondContact OD2-N 2.95Å; D193-R278 IonicContact OD1-CZ 3.54Å; D193-R278 IonicContact OD1-NH1 3.01Å; D193-R278 PolarHBondContact OD1-NH1 3.34Å; D193-R278 IonicContact OD1-NH2 2.99Å; D193-R278 IonicContact OD2-CZ 3.63Å; D193-R278 IonicContact OD2-NH1 3.73Å; D193-R278 IonicContact OD2-NH2 3.96Å; D193-R278 PolarHBondContact OD2-NH2 3.05Å; D193-Y338 HydrophobicContact CB-CD1 3.52Å; D193-Y338 HydrophobicContact CB-CE1 4.17Å; D193-Y338 HydrophobicContact CB-CG 3.85Å; D193-Y338 WeakPolarHBondContact OD1-CB 3.44Å
194E97.3Very high97.6Very high57 Ų5740.7 Ų40.727%0.26622%0.221SC..EExtended strand (participates in β ladder)trans-131.4150.7-174.1-61.4177.9-17300111.6P4 R192 R201 I202 Y205P4-E194 HydrophobicContact CG-CG 4.34Å; R192-E194 HydrophobicContact CB-CG 4.49Å; R192-E194 PolarHBondContact O-N 3.38Å; E194-R201 IonicContact OE1-NH2 3.94Å; E194-R201 IonicContact OE2-CZ 2.94Å; E194-R201 IonicContact OE2-NE 3.94Å; E194-R201 IonicContact OE2-NH2 3.32Å; E194-R201 PolarHBondContact OE2-NH2 2.64Å; E194-I202 VanDerWaalsContact CA-O 3.31Å; E194-I202 WeakPolarHBondContact CA-O 3.46Å; E194-Y205 HydrophobicContact CG-CE1 3.73Å; E194-Y205 PolarHBondContact OE1-OH 3.36Å
195A96.9Very high97.6Very high16 Ų1642 Ų4213%0.13223%0.226CC..EExtended strand (participates in β ladder)trans-144.1167.417600000111.6I202 V275A195-I202 HydrophobicContact CB-CD1 4.32Å; A195-I202 HydrophobicContact CB-CG1 4.09Å; A195-I202 PolarHBondContact N-O 3.34Å; A195-I202 WeakPolarHBondContact O-CG1 3.35Å; A195-I202 PolarHBondContact O-N 2.71Å; A195-V275 HydrophobicContact CB-CG2 3.88Å
196T97.7Very high97.6Very high97 Ų9741.8 Ų41.860%0.59523%0.225SC*.EExtended strand (participates in β ladder)trans-106.5118.2167.6-61.30000109.3K200T196-K200 CarbonylContact C-O 3.4Å; T196-K200 WeakPolarHBondContact CA-O 3.39Å
197Y98.1Very high97.6Very high6 Ų636.8 Ų36.82%0.02420%0.198CC..EExtended strand (participates in β ladder)trans-125124.2-179.3-175.9-104.4000109.9F13 V14 H17 G199 K200 R272 V275 E276F13-Y197 HydrophobicContact CD1-CD1 4.17Å; F13-Y197 AromaticContact CE1-CD1 3.95Å; F13-Y197 HydrophobicContact CE1-CD1 3.95Å; F13-Y197 WeakPolarHBondContact CE1-O 3.5Å; V14-Y197 HydrophobicContact CB-CE1 4.31Å; V14-Y197 HydrophobicContact CG1-CE1 4.35Å; V14-Y197 HydrophobicContact CG2-CD1 3.84Å; V14-Y197 HydrophobicContact CG2-CE1 4.1Å; V14-Y197 HydrophobicContact CG2-CG 4.29Å; H17-Y197 HydrophobicContact CB-CE1 4.03Å; H17-Y197 PolarHBondContact O-OH 3.1Å; Y197-G199 PolarHBondContact O-N 3.5Å; Y197-G199 VanDerWaalsContact O-N 3.11Å; Y197-K200 PolarHBondContact N-O 2.96Å; Y197-K200 PolarHBondContact O-N 3.4Å; Y197-R272 HydrophobicContact CD2-CG 4.42Å; Y197-R272 HydrophobicContact CE2-CG 3.7Å; Y197-V275 HydrophobicContact CD2-CB 4.11Å; Y197-V275 HydrophobicContact CD2-CG1 3.56Å; Y197-V275 HydrophobicContact CE2-CG1 4.2Å; Y197-V275 HydrophobicContact CG-CG1 3.81Å; Y197-E276 HydrophobicContact CE2-CG 3.83Å; Y197-E276 VanDerWaalsContact OH-CG 3.31Å; Y197-E276 WeakPolarHBondContact OH-CG 3.46Å; Y197-E276 PolarHBondContact OH-OE1 3.17Å
198K97.1Very high97.6Very high114 Ų11434.1 Ų34.150%0.49618%0.184SC..THydrogen-bonded Turntrans48.640-177.5-60.8-70.9-175.41740113.2F13 H17 K200F13-K198 HydrophobicContact CE1-CB 4.41Å; F13-K198 HydrophobicContact CZ-CB 4.36Å; H17-K198 HydrophobicContact CB-CG 4.15Å; K198-K200 VanDerWaalsContact C-N 3.29Å; K198-K200 PolarHBondContact O-N 2.88Å
199G96.1Very high97.6Very high75 Ų7534.2 Ų34.277%0.77318%0.184SC*.THydrogen-bonded Turntrans79.31.1179.600000115.5Y197Y197-G199 PolarHBondContact O-N 3.5Å; Y197-G199 VanDerWaalsContact O-N 3.11Å
200K97.5Very high97.6Very high67 Ų6732 Ų3229%0.29117%0.169SC..EExtended strand (participates in β ladder)trans-109.3139178.9-157.8165.7-164.3-177.60111.2L5 F13 T196 Y197 K198L5-K200 HydrophobicContact CD1-CD 3.75Å; L5-K200 HydrophobicContact CD1-CG 4.38Å; L5-K200 HydrophobicContact CG-CD 4.24Å; F13-K200 HydrophobicContact CD1-CB 4.38Å; F13-K200 HydrophobicContact CD1-CD 4.25Å; F13-K200 HydrophobicContact CD2-CD 4.09Å; F13-K200 HydrophobicContact CE1-CB 3.6Å; F13-K200 HydrophobicContact CE1-CD 3.99Å; F13-K200 HydrophobicContact CE1-CG 4.35Å; F13-K200 HydrophobicContact CE2-CD 3.81Å; F13-K200 HydrophobicContact CG-CD 4.29Å; F13-K200 HydrophobicContact CZ-CB 3.74Å; F13-K200 HydrophobicContact CZ-CD 3.77Å; F13-K200 HydrophobicContact CZ-CG 4.4Å; T196-K200 CarbonylContact C-O 3.4Å; T196-K200 WeakPolarHBondContact CA-O 3.39Å; Y197-K200 PolarHBondContact N-O 2.96Å; Y197-K200 PolarHBondContact O-N 3.4Å; K198-K200 VanDerWaalsContact C-N 3.29Å; K198-K200 PolarHBondContact O-N 2.88Å
201R98Very high97.6Very high76 Ų7631.7 Ų31.729%0.28717%0.167SC..EExtended strand (participates in β ladder)trans-76129.1171.1-70.5-174.668-157.46.7109.6E2 P4 L5 E194E2-R201 WeakPolarHBondContact O-CD 3.48Å; E2-R201 PolarHBondContact O-NH1 3.32Å; P4-R201 WeakPolarHBondContact CA-O 3.3Å; P4-R201 HydrophobicContact CB-CB 4.12Å; L5-R201 PolarHBondContact N-O 3.28Å; E194-R201 IonicContact OE1-NH2 3.94Å; E194-R201 IonicContact OE2-CZ 2.94Å; E194-R201 IonicContact OE2-NE 3.94Å; E194-R201 IonicContact OE2-NH2 3.32Å; E194-R201 PolarHBondContact OE2-NH2 2.64Å
202I98.4Very high97.6Very high1 Ų131.7 Ų31.71%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-125.4158.4178.559.6159.8000109.7L5 S10 F13 V14 E194 A195 V275L5-I202 HydrophobicContact CD1-CG2 4.39Å; S10-I202 WeakPolarHBondContact OG-CA 3.04Å; S10-I202 WeakPolarHBondContact OG-CB 3.5Å; F13-I202 HydrophobicContact CD1-CG2 4.15Å; V14-I202 HydrophobicContact CG2-CD1 3.97Å; E194-I202 VanDerWaalsContact CA-O 3.31Å; E194-I202 WeakPolarHBondContact CA-O 3.46Å; A195-I202 HydrophobicContact CB-CD1 4.32Å; A195-I202 HydrophobicContact CB-CG1 4.09Å; A195-I202 PolarHBondContact N-O 3.34Å; A195-I202 WeakPolarHBondContact O-CG1 3.35Å; A195-I202 PolarHBondContact O-N 2.71Å; I202-V275 HydrophobicContact CD1-CG1 3.39Å
203S98.1Very high97.5Very high1 Ų127.2 Ų27.21%0.00715%0.15CC..EExtended strand (participates in β ladder)trans-127.1151.4171.765.40000110.8L5 P7 S10 D193 Y205L5-S203 WeakPolarHBondContact O-CB 3.5Å; L5-S203 PolarHBondContact O-N 3.46Å; L5-S203 VanDerWaalsContact O-N 3.14Å; L5-S203 PolarHBondContact O-OG 3.37Å; P7-S203 WeakPolarHBondContact CA-O 3.3Å; S10-S203 WeakPolarHBondContact CB-O 3.42Å; S10-S203 PolarHBondContact OG-N 3.01Å; S10-S203 PolarHBondContact OG-O 2.8Å; S10-S203 VanDerWaalsContact OG-O 3.08Å; D193-S203 WeakPolarHBondContact O-CA 3.37Å; S203-Y205 VanDerWaalsContact CB-CE2 3.42Å; S203-Y205 VanDerWaalsContact OG-CE2 3.28Å; S203-Y205 WeakPolarHBondContact OG-CE2 3.25Å
204L98Very high97.3Very high4 Ų427.2 Ų27.22%0.02115%0.15CC..  trans-121.4-31.9174.3-59.3171.9000110.3D193 K206 Q209 R278 I282D193-L204 PolarHBondContact O-N 3.11Å; D193-L204 WeakPolarHBondContact OD2-CB 3.21Å; L204-K206 PolarHBondContact O-N 3.39Å; L204-Q209 PolarHBondContact O-NE2 2.84Å; L204-R278 HydrophobicContact CD1-CB 3.88Å; L204-R278 VanDerWaalsContact CD1-CZ 3.43Å; L204-R278 VanDerWaalsContact CD1-NH1 3.29Å; L204-R278 HydrophobicContact CD2-CB 4.47Å; L204-I282 HydrophobicContact CD2-CD1 3.49Å; L204-I282 VanDerWaalsContact CD2-CD1 3.49Å
205Y98Very high97.2Very high27 Ų2725 Ų2511%0.10614%0.14CC..  trans4732.6173.5-60.8-29000115P4 P7 V181 V185 D193 E194 S203 R207 A208 Q209P4-Y205 WeakPolarHBondContact CG-OH 3.45Å; P7-Y205 HydrophobicContact CG-CD2 3.92Å; P7-Y205 HydrophobicContact CG-CG 4.4Å; V181-Y205 HydrophobicContact CG1-CD2 4.33Å; V185-Y205 HydrophobicContact CG1-CD1 4.38Å; V185-Y205 HydrophobicContact CG1-CE1 3.7Å; V185-Y205 HydrophobicContact CG1-CE2 4.28Å; V185-Y205 HydrophobicContact CG2-CD1 3.93Å; V185-Y205 HydrophobicContact CG2-CD2 4.13Å; V185-Y205 HydrophobicContact CG2-CE1 4.07Å; V185-Y205 HydrophobicContact CG2-CE2 4.25Å; V185-Y205 HydrophobicContact CG2-CG 3.98Å; D193-Y205 HydrophobicContact CB-CD1 4.47Å; D193-Y205 PolarHBondContact O-N 2.99Å; E194-Y205 HydrophobicContact CG-CE1 3.73Å; E194-Y205 PolarHBondContact OE1-OH 3.36Å; S203-Y205 VanDerWaalsContact CB-CE2 3.42Å; S203-Y205 VanDerWaalsContact OG-CE2 3.28Å; S203-Y205 WeakPolarHBondContact OG-CE2 3.25Å; Y205-R207 PolarHBondContact O-N 3.26Å; Y205-A208 PolarHBondContact O-N 3.38Å; Y205-Q209 WeakPolarHBondContact O-CG 3.17Å; Y205-Q209 PolarHBondContact O-N 2.99Å
206K97.4Very high97Very high5 Ų525 Ų252%0.02214%0.136CC..Hα-helixtrans-47.3-57.2-171.3176.9-137.7173.1-171.50112.3N75 D193 L204 A208 Q209 I210 F236 Y338 Y339N75-K206 PolarHBondContact O-NZ 2.86Å; N75-K206 VanDerWaalsContact O-NZ 3.1Å; D193-K206 PolarHBondContact OD2-N 2.95Å; L204-K206 PolarHBondContact O-N 3.39Å; K206-A208 VanDerWaalsContact C-N 3.34Å; K206-A208 PolarHBondContact O-N 2.89Å; K206-Q209 PolarHBondContact O-N 3.37Å; K206-I210 HydrophobicContact CD-CD1 4.26Å; K206-I210 HydrophobicContact CG-CD1 4Å; K206-I210 WeakPolarHBondContact O-CG1 3.47Å; K206-I210 PolarHBondContact O-N 2.8Å; K206-F236 HydrophobicContact CG-CB 4.12Å; K206-Y338 VanDerWaalsContact CD-O 3.25Å; K206-Y338 WeakPolarHBondContact CD-O 3.39Å; K206-Y339 PolarHBondContact NZ-OXT 3.08Å
207R97.5Very high96.7Very high4 Ų420.5 Ų20.52%0.01511%0.109CC..Hα-helixtrans-66.9-31.7-177.9-66.8-170.4-61174-8.1113.6T73 F76 S190 Y191 Y205 L211 I337T73-R207 PolarHBondContact O-NH1 3.12Å; F76-R207 VanDerWaalsContact CD1-NH1 3.27Å; S190-R207 PolarHBondContact O-NH2 3.2Å; Y191-R207 HydrophobicContact CD1-CB 3.79Å; Y191-R207 HydrophobicContact CE1-CB 3.7Å; Y191-R207 WeakPolarHBondContact CE1-O 3.34Å; Y205-R207 PolarHBondContact O-N 3.26Å; R207-L211 WeakPolarHBondContact O-CB 3.48Å; R207-L211 PolarHBondContact O-N 3.39Å; R207-I337 PolarHBondContact NE-O 3.08Å; R207-I337 PolarHBondContact NH1-O 3.16Å; R207-I337 PolarHBondContact NH2-O 2.92Å; R207-I337 VanDerWaalsContact NH2-O 3.09Å
208A98.1Very high96.4Very high0 Ų020.2 Ų20.20%011%0.108CC..Hα-helixtrans-69.9-41.3178.500000110V181 I184 V185 Y191 Y205 K206 L211 V212V181-A208 HydrophobicContact CG1-CB 4.35Å; I184-A208 HydrophobicContact CB-CB 4.44Å; I184-A208 HydrophobicContact CG2-CB 3.74Å; V185-A208 HydrophobicContact CG2-CB 3.99Å; Y191-A208 HydrophobicContact CD1-CB 3.89Å; Y205-A208 PolarHBondContact O-N 3.38Å; K206-A208 VanDerWaalsContact C-N 3.34Å; K206-A208 PolarHBondContact O-N 2.89Å; A208-L211 PolarHBondContact O-N 3.21Å; A208-V212 WeakPolarHBondContact O-CG2 3.49Å; A208-V212 PolarHBondContact O-N 2.9Å; A208-V212 VanDerWaalsContact O-N 3.17Å
209Q98.3Very high96Very high2 Ų215.1 Ų15.11%0.0099%0.086CC..Hα-helixtrans-65.4-42.5175.6-62.9-168.388.100111.8L204 Y205 K206 V212 A213 L233 T234 F236L204-Q209 PolarHBondContact O-NE2 2.84Å; Y205-Q209 WeakPolarHBondContact O-CG 3.17Å; Y205-Q209 PolarHBondContact O-N 2.99Å; K206-Q209 PolarHBondContact O-N 3.37Å; Q209-V212 PolarHBondContact O-N 3Å; Q209-A213 WeakPolarHBondContact O-CB 3.3Å; Q209-A213 PolarHBondContact O-N 3.33Å; Q209-L233 HydrophobicContact CB-CD2 4.02Å; Q209-L233 HydrophobicContact CG-CD2 4.1Å; Q209-T234 PolarHBondContact NE2-OG1 2.84Å; Q209-T234 VanDerWaalsContact NE2-OG1 3.07Å; Q209-T234 PolarHBondContact OE1-OG1 3.31Å; Q209-F236 HydrophobicContact CB-CD1 3.76Å; Q209-F236 HydrophobicContact CB-CE1 3.67Å
210I96.8Very high95.6Very high12 Ų1215.2 Ų15.26%0.0627%0.066CC..Hα-helixtrans-58.5-50.8173.4-69.1169.7000110.4D72 K206 V212 A213 D214 F236D72-I210 HydrophobicContact CB-CG2 4.47Å; D72-I210 VanDerWaalsContact OD1-CG2 3.31Å; D72-I210 WeakPolarHBondContact OD1-CG2 3.22Å; K206-I210 HydrophobicContact CD-CD1 4.26Å; K206-I210 HydrophobicContact CG-CD1 4Å; K206-I210 WeakPolarHBondContact O-CG1 3.47Å; K206-I210 PolarHBondContact O-N 2.8Å; I210-V212 PolarHBondContact O-N 2.85Å; I210-A213 CarbonylContact O-C 3.49Å; I210-A213 PolarHBondContact O-N 3.08Å; I210-D214 WeakPolarHBondContact O-CB 3.41Å; I210-D214 PolarHBondContact O-N 2.96Å; I210-F236 HydrophobicContact CD1-CB 3.93Å; I210-F236 HydrophobicContact CD1-CD2 4.34Å; I210-F236 HydrophobicContact CD1-CG 4.14Å; I210-F236 HydrophobicContact CG1-CB 3.75Å; I210-F236 HydrophobicContact CG1-CD1 3.82Å; I210-F236 HydrophobicContact CG1-CD2 3.53Å; I210-F236 HydrophobicContact CG1-CE1 4.34Å; I210-F236 HydrophobicContact CG1-CE2 4.08Å; I210-F236 HydrophobicContact CG1-CG 3.39Å; I210-F236 HydrophobicContact CG1-CZ 4.46Å
211L97.3Very high95.1Very high0 Ų014.5 Ų14.50%07%0.073CC..Hα-helixtrans-57.9-37.7-177.7179.757.9000112.6V68 F69 D72 F166 I184 Y191 R207 A208 F215V68-L211 HydrophobicContact CG1-CD1 3.86Å; F69-L211 HydrophobicContact CD2-CD1 4.36Å; F69-L211 HydrophobicContact CD2-CD2 4.02Å; F69-L211 HydrophobicContact CE2-CD2 4.27Å; D72-L211 HydrophobicContact CB-CB 4.31Å; D72-L211 HydrophobicContact CB-CD1 4.19Å; D72-L211 WeakPolarHBondContact OD2-CA 3.35Å; F166-L211 HydrophobicContact CD1-CD1 4.5Å; F166-L211 HydrophobicContact CD2-CD2 4.42Å; F166-L211 HydrophobicContact CE1-CD1 3.91Å; F166-L211 HydrophobicContact CE1-CG 4.17Å; F166-L211 HydrophobicContact CE2-CD1 4.31Å; F166-L211 HydrophobicContact CE2-CD2 3.62Å; F166-L211 HydrophobicContact CE2-CG 4.02Å; F166-L211 HydrophobicContact CZ-CD1 3.81Å; F166-L211 HydrophobicContact CZ-CD2 3.74Å; F166-L211 HydrophobicContact CZ-CG 3.58Å; I184-L211 HydrophobicContact CD1-CB 4.42Å; I184-L211 HydrophobicContact CD1-CD2 3.88Å; I184-L211 HydrophobicContact CD1-CG 4.18Å; I184-L211 HydrophobicContact CG1-CD2 4.32Å; Y191-L211 HydrophobicContact CE1-CB 4.38Å; Y191-L211 HydrophobicContact CE1-CD2 4.04Å; R207-L211 WeakPolarHBondContact O-CB 3.48Å; R207-L211 PolarHBondContact O-N 3.39Å; A208-L211 PolarHBondContact O-N 3.21Å; L211-F215 WeakPolarHBondContact O-CB 3.39Å; L211-F215 PolarHBondContact O-N 3.23Å
212V97.3Very high94.4Very high1 Ų113.1 Ų13.11%0.0067%0.068CC..Hα-helixtrans-71.5-40.7174.7176.70000111.8A177 M180 V181 I184 A208 Q209 I210 F215 W216 M227 L233A177-V212 HydrophobicContact CB-CG1 3.9Å; M180-V212 HydrophobicContact CB-CG1 4.19Å; M180-V212 HydrophobicContact CB-CG2 3.61Å; M180-V212 HydrophobicContact SD-CG1 4.11Å; V181-V212 HydrophobicContact CG2-CB 4.32Å; V181-V212 HydrophobicContact CG2-CG2 3.77Å; I184-V212 HydrophobicContact CD1-CG2 3.61Å; A208-V212 WeakPolarHBondContact O-CG2 3.49Å; A208-V212 PolarHBondContact O-N 2.9Å; A208-V212 VanDerWaalsContact O-N 3.17Å; Q209-V212 PolarHBondContact O-N 3Å; I210-V212 PolarHBondContact O-N 2.85Å; V212-F215 PolarHBondContact O-N 3.42Å; V212-W216 WeakPolarHBondContact O-CB 3.47Å; V212-W216 PolarHBondContact O-N 2.8Å; V212-M227 HydrophobicContact CG1-SD 4.12Å; V212-L233 HydrophobicContact CB-CD2 4.39Å; V212-L233 HydrophobicContact CG1-CD1 4.2Å; V212-L233 HydrophobicContact CG1-CD2 4.35Å
213A95.8Very high93.7Very high0 Ų019.3 Ų19.30%011%0.106CC..Hα-helixtrans-66.8-39.3178.200000112.8Q209 I210 W216 G217 L233 F236 A309 F313Q209-A213 WeakPolarHBondContact O-CB 3.3Å; Q209-A213 PolarHBondContact O-N 3.33Å; I210-A213 CarbonylContact O-C 3.49Å; I210-A213 PolarHBondContact O-N 3.08Å; A213-W216 WeakPolarHBondContact O-CB 3.24Å; A213-W216 PolarHBondContact O-N 3.41Å; A213-G217 PolarHBondContact O-N 3.1Å; A213-L233 HydrophobicContact CB-CD1 4.08Å; A213-F236 HydrophobicContact CB-CE1 4.31Å; A213-F236 HydrophobicContact CB-CE2 4.17Å; A213-F236 HydrophobicContact CB-CZ 3.46Å; A213-F236 VanDerWaalsContact CB-CZ 3.46Å; A213-A309 HydrophobicContact CB-CB 4.39Å; A213-F313 HydrophobicContact CB-CE1 4.36Å; A213-F313 HydrophobicContact CB-CZ 3.88Å
214D94.5Very high93Very high6 Ų621.4 Ų21.43%0.03212%0.115CC..Hα-helixtrans-71.8-38.4177.2-84.831000111.2W49 N53 V68 I210 W216 G217 I218W49-D214 PolarHBondContact NE1-OD2 2.61Å; N53-D214 PolarHBondContact ND2-OD2 3.31Å; V68-D214 HydrophobicContact CG1-CB 3.61Å; V68-D214 HydrophobicContact CG2-CB 4.22Å; I210-D214 WeakPolarHBondContact O-CB 3.41Å; I210-D214 PolarHBondContact O-N 2.96Å; D214-W216 VanDerWaalsContact C-N 3.33Å; D214-W216 PolarHBondContact O-N 3.42Å; D214-G217 PolarHBondContact O-N 3.17Å; D214-I218 PolarHBondContact O-N 3.3Å
215F93.9Very high92Very high11 Ų1122.6 Ų22.65%0.04813%0.129CC..Hα-helixtrans-57.9-46.2169.1-178.7-107000111.5L65 F166 I170 M180 L211 V212 I218 M219 M227L65-F215 HydrophobicContact CD1-CE2 4.36Å; L65-F215 HydrophobicContact CD2-CD2 3.46Å; L65-F215 VanDerWaalsContact CD2-CD2 3.46Å; L65-F215 HydrophobicContact CD2-CE2 3.63Å; F166-F215 HydrophobicContact CD1-CD2 4.17Å; F166-F215 HydrophobicContact CE1-CB 4.17Å; F166-F215 AromaticContact CE1-CD2 3.7Å; F166-F215 HydrophobicContact CE1-CD2 3.7Å; F166-F215 HydrophobicContact CE1-CE2 4.41Å; F166-F215 HydrophobicContact CE1-CG 4.08Å; I170-F215 HydrophobicContact CG2-CE1 4.31Å; I170-F215 HydrophobicContact CG2-CE2 4.2Å; I170-F215 HydrophobicContact CG2-CZ 3.93Å; M180-F215 HydrophobicContact CE-CD1 4.1Å; M180-F215 HydrophobicContact CE-CE1 3.67Å; M180-F215 HydrophobicContact SD-CD1 3.9Å; M180-F215 HydrophobicContact SD-CE1 4.08Å; L211-F215 WeakPolarHBondContact O-CB 3.39Å; L211-F215 PolarHBondContact O-N 3.23Å; V212-F215 PolarHBondContact O-N 3.42Å; F215-I218 PolarHBondContact O-N 3.32Å; F215-M219 HydrophobicContact CD1-CG 4.47Å; F215-M219 HydrophobicContact CD1-SD 3.79Å; F215-M219 HydrophobicContact CE1-CG 4.11Å; F215-M219 HydrophobicContact CE1-SD 3.17Å; F215-M219 WeakPolarHBondContact CE1-SD 3.21Å; F215-M219 HydrophobicContact CZ-CG 4.19Å; F215-M219 HydrophobicContact CZ-SD 3.63Å; F215-M219 WeakPolarHBondContact O-CG 3.19Å; F215-M219 PolarHBondContact O-N 3.04Å; F215-M227 HydrophobicContact CD1-CE 3.57Å; F215-M227 HydrophobicContact CE1-CE 3.96Å
216W93.8Very high91.5Very high15 Ų1527.7 Ų27.76%0.05716%0.158CC..Hα-helixtrans-60.5-46.2174.6170.852.5000112.4A46 V212 A213 D214 I218 M219 E220 M227 L230 I310 F313A46-W216 HydrophobicContact CB-CD2 4.46Å; A46-W216 HydrophobicContact CB-CE3 4.42Å; A46-W216 HydrophobicContact CB-CH2 3.48Å; A46-W216 VanDerWaalsContact CB-CH2 3.48Å; A46-W216 HydrophobicContact CB-CZ2 3.51Å; A46-W216 HydrophobicContact CB-CZ3 3.96Å; V212-W216 WeakPolarHBondContact O-CB 3.47Å; V212-W216 PolarHBondContact O-N 2.8Å; A213-W216 WeakPolarHBondContact O-CB 3.24Å; A213-W216 PolarHBondContact O-N 3.41Å; D214-W216 VanDerWaalsContact C-N 3.33Å; D214-W216 PolarHBondContact O-N 3.42Å; W216-I218 VanDerWaalsContact C-N 3.26Å; W216-I218 PolarHBondContact O-N 2.78Å; W216-M219 WeakPolarHBondContact O-CB 3.22Å; W216-M219 PolarHBondContact O-N 3.18Å; W216-E220 HydrophobicContact CD2-CG 4.36Å; W216-E220 HydrophobicContact CG-CG 4.36Å; W216-E220 HydrophobicContact CZ2-CG 4.2Å; W216-E220 PolarHBondContact NE1-OE1 3.36Å; W216-E220 WeakPolarHBondContact O-CG 3.41Å; W216-E220 PolarHBondContact O-N 2.8Å; W216-M227 HydrophobicContact CB-CE 3.54Å; W216-M227 HydrophobicContact CB-SD 3.77Å; W216-M227 HydrophobicContact CG-CE 4.24Å; W216-M227 HydrophobicContact CG-SD 4.25Å; W216-L230 HydrophobicContact CB-CD2 4.11Å; W216-L230 HydrophobicContact CD2-CD1 3.7Å; W216-L230 HydrophobicContact CD2-CD2 3.66Å; W216-L230 HydrophobicContact CD2-CG 4.35Å; W216-L230 HydrophobicContact CE3-CD1 4.47Å; W216-L230 HydrophobicContact CE3-CD2 3.89Å; W216-L230 HydrophobicContact CG-CD1 3.86Å; W216-L230 HydrophobicContact CG-CD2 3.75Å; W216-L230 HydrophobicContact CG-CG 4.39Å; W216-L230 HydrophobicContact CZ2-CD1 3.85Å; W216-L230 VanDerWaalsContact NE1-CD1 3.34Å; W216-I310 HydrophobicContact CH2-CD1 3.87Å; W216-I310 HydrophobicContact CH2-CG1 3.73Å; W216-I310 HydrophobicContact CZ3-CG1 4.06Å; W216-F313 HydrophobicContact CE3-CE2 4.43Å; W216-F313 HydrophobicContact CZ3-CE2 4.11Å
217G91.4Very high91.2Very high3 Ų327.9 Ų27.93%0.03116%0.159CC..Hα-helixtrans-56.7-38.4177.200000113A213 D214 A221A213-G217 PolarHBondContact O-N 3.1Å; D214-G217 PolarHBondContact O-N 3.17Å; G217-A221 WeakPolarHBondContact O-CB 3.31Å; G217-A221 PolarHBondContact O-N 3.02Å; G217-A221 VanDerWaalsContact O-N 3.17Å
218I90.1Very high90.9Very high1 Ų130.9 Ų30.91%0.00518%0.179CC..Hα-helixtrans-67.8-45.4173.2-68.4170.7000111.3W49 P59 A64 L65 V68 D214 F215 W216 E220 A221 R222W49-I218 HydrophobicContact CE3-CG1 4.48Å; W49-I218 HydrophobicContact CH2-CD1 4.06Å; W49-I218 HydrophobicContact CH2-CG1 3.55Å; W49-I218 HydrophobicContact CZ2-CD1 3.86Å; W49-I218 HydrophobicContact CZ2-CG1 3.62Å; W49-I218 HydrophobicContact CZ3-CG1 4Å; P59-I218 HydrophobicContact CB-CG2 4.43Å; A64-I218 HydrophobicContact CB-CD1 3.89Å; A64-I218 HydrophobicContact CB-CG1 4.46Å; L65-I218 HydrophobicContact CD2-CB 4.02Å; L65-I218 HydrophobicContact CD2-CD1 3.81Å; L65-I218 HydrophobicContact CD2-CG2 3.69Å; L65-I218 HydrophobicContact CG-CD1 4.41Å; L65-I218 HydrophobicContact CG-CG2 4.13Å; V68-I218 HydrophobicContact CB-CD1 4.12Å; V68-I218 HydrophobicContact CG2-CD1 3.47Å; V68-I218 VanDerWaalsContact CG2-CD1 3.47Å; D214-I218 PolarHBondContact O-N 3.3Å; F215-I218 PolarHBondContact O-N 3.32Å; W216-I218 VanDerWaalsContact C-N 3.26Å; W216-I218 PolarHBondContact O-N 2.78Å; I218-E220 PolarHBondContact O-N 2.93Å; I218-A221 PolarHBondContact O-N 3.24Å; I218-R222 WeakPolarHBondContact O-CG 3.26Å; I218-R222 PolarHBondContact O-N 3.2Å; I218-R222 VanDerWaalsContact O-N 3.09Å
219M89.5Confident90.7Very high6 Ų634.6 Ų34.63%0.0320%0.199CC..Hα-helixtrans-60.2-44179-72.8-175.86400112.4R175 F215 W216 A221 R222 V223 E224 M227R175-M219 HydrophobicContact CG-CE 4.05Å; F215-M219 HydrophobicContact CD1-CG 4.47Å; F215-M219 HydrophobicContact CD1-SD 3.79Å; F215-M219 HydrophobicContact CE1-CG 4.11Å; F215-M219 HydrophobicContact CE1-SD 3.17Å; F215-M219 WeakPolarHBondContact CE1-SD 3.21Å; F215-M219 HydrophobicContact CZ-CG 4.19Å; F215-M219 HydrophobicContact CZ-SD 3.63Å; F215-M219 WeakPolarHBondContact O-CG 3.19Å; F215-M219 PolarHBondContact O-N 3.04Å; W216-M219 WeakPolarHBondContact O-CB 3.22Å; W216-M219 PolarHBondContact O-N 3.18Å; M219-A221 VanDerWaalsContact C-N 3.34Å; M219-A221 PolarHBondContact O-N 2.75Å; M219-R222 CarbonylContact O-C 3.48Å; M219-R222 PolarHBondContact O-N 3.44Å; M219-R222 VanDerWaalsContact O-N 3.08Å; M219-V223 PolarHBondContact O-N 2.68Å; M219-E224 HydrophobicContact CB-CB 4.2Å; M219-E224 HydrophobicContact CE-CB 4.11Å; M219-E224 WeakPolarHBondContact CE-O 3.49Å; M219-E224 HydrophobicContact CG-CB 4.42Å; M219-E224 PolarHBondContact O-N 3.39Å; M219-M227 HydrophobicContact SD-CE 3.61Å
220E88.7Confident90.5Very high77 Ų7735.5 Ų35.536%0.3620%0.204SC..Hα-helixtrans-58.8-46.2175-73.2-70.7143.800111.1A46 W216 I218 R222 V223A46-E220 HydrophobicContact CB-CB 3.99Å; A46-E220 HydrophobicContact CB-CG 3.71Å; W216-E220 HydrophobicContact CD2-CG 4.36Å; W216-E220 HydrophobicContact CG-CG 4.36Å; W216-E220 HydrophobicContact CZ2-CG 4.2Å; W216-E220 PolarHBondContact NE1-OE1 3.36Å; W216-E220 WeakPolarHBondContact O-CG 3.41Å; W216-E220 PolarHBondContact O-N 2.8Å; I218-E220 PolarHBondContact O-N 2.93Å; E220-R222 PolarHBondContact O-N 3.03Å; E220-R222 VanDerWaalsContact O-N 3.16Å; E220-V223 PolarHBondContact O-N 3.01Å
221A85.6Confident90.4Very high53 Ų5337.5 Ų37.544%0.43821%0.214SC..Hα-helixtrans-63.2-22177.400000113.4P59 G217 I218 M219P59-A221 HydrophobicContact CB-CB 3.74Å; P59-A221 HydrophobicContact CG-CB 3.84Å; G217-A221 WeakPolarHBondContact O-CB 3.31Å; G217-A221 PolarHBondContact O-N 3.02Å; G217-A221 VanDerWaalsContact O-N 3.17Å; I218-A221 PolarHBondContact O-N 3.24Å; M219-A221 VanDerWaalsContact C-N 3.34Å; M219-A221 PolarHBondContact O-N 2.75Å
222R84.1Confident90.4Very high46 Ų4639.7 Ų39.717%0.17423%0.226CC..THydrogen-bonded Turntrans-95.1-3.7174.3-64.7-178.4-175.4-160.8-1.5113.9P59 S61 D62 I218 M219 E220 E224P59-R222 WeakPolarHBondContact O-CG 3.23Å; P59-R222 PolarHBondContact O-NE 3.46Å; P59-R222 PolarHBondContact O-NH2 3.27Å; S61-R222 PolarHBondContact O-NH2 3.45Å; D62-R222 IonicContact OD1-CZ 3.87Å; D62-R222 IonicContact OD1-NH1 3.81Å; D62-R222 PolarHBondContact OD1-NH1 2.99Å; D62-R222 IonicContact OD1-NH2 3.12Å; D62-R222 PolarHBondContact OD1-NH2 3.21Å; I218-R222 WeakPolarHBondContact O-CG 3.26Å; I218-R222 PolarHBondContact O-N 3.2Å; I218-R222 VanDerWaalsContact O-N 3.09Å; M219-R222 CarbonylContact O-C 3.48Å; M219-R222 PolarHBondContact O-N 3.44Å; M219-R222 VanDerWaalsContact O-N 3.08Å; E220-R222 PolarHBondContact O-N 3.03Å; E220-R222 VanDerWaalsContact O-N 3.16Å; R222-E224 HydrophobicContact CB-CB 4.36Å; R222-E224 HydrophobicContact CB-CG 3.78Å; R222-E224 WeakPolarHBondContact CD-OE1 3.33Å; R222-E224 IonicContact CZ-OE1 3.98Å; R222-E224 IonicContact NE-OE1 2.82Å; R222-E224 IonicContact NH1-OE1 3.7Å; R222-E224 PolarHBondContact NH1-OE1 3.23Å; R222-E224 VanDerWaalsContact NH1-OE1 3.12Å; R222-E224 PolarHBondContact O-N 3.28Å
223V83.8Confident90.4Very high132 Ų13239.6 Ų39.680%0.823%0.225SC*.THydrogen-bonded Turntrans56.237.1-171.5-1600000111M219 E220 G225M219-V223 PolarHBondContact O-N 2.68Å; E220-V223 PolarHBondContact O-N 3.01Å; V223-G225 PolarHBondContact O-N 2.93Å; V223-G225 VanDerWaalsContact O-N 3.08Å
224E82.5Confident90.6Very high44 Ų4439.6 Ų39.621%0.20623%0.225CC..  trans-81.531.9-179.8-81.4-169.2-143.200112.7R167 R175 M219 R222R167-E224 IonicContact NH2-OE1 3.96Å; R167-E224 IonicContact NH2-OE2 2.87Å; R167-E224 PolarHBondContact NH2-OE2 3.3Å; R175-E224 PolarHBondContact NH1-O 2.86Å; R175-E224 PolarHBondContact NH2-O 3.47Å; M219-E224 HydrophobicContact CB-CB 4.2Å; M219-E224 HydrophobicContact CE-CB 4.11Å; M219-E224 WeakPolarHBondContact CE-O 3.49Å; M219-E224 HydrophobicContact CG-CB 4.42Å; M219-E224 PolarHBondContact O-N 3.39Å; R222-E224 HydrophobicContact CB-CB 4.36Å; R222-E224 HydrophobicContact CB-CG 3.78Å; R222-E224 WeakPolarHBondContact CD-OE1 3.33Å; R222-E224 IonicContact CZ-OE1 3.98Å; R222-E224 IonicContact NE-OE1 2.82Å; R222-E224 IonicContact NH1-OE1 3.7Å; R222-E224 PolarHBondContact NH1-OE1 3.23Å; R222-E224 VanDerWaalsContact NH1-OE1 3.12Å; R222-E224 PolarHBondContact O-N 3.28Å
225G78.3Confident90.7Very high30 Ų3039.3 Ų39.331%0.30922%0.224SC..  trans66.2171175.500000115.8V223V223-G225 PolarHBondContact O-N 2.93Å; V223-G225 VanDerWaalsContact O-N 3.08Å
226D86.1Confident90.8Very high134 Ų13439.2 Ų39.272%0.71722%0.223SC*.  trans-67.4150.6-169.3-57.3-5.7000113.6P228D226-P228 WeakPolarHBondContact O-CD 3.45Å
227M91.7Very high90.6Very high8 Ų838.6 Ų38.64%0.03922%0.222CC..  trans-110.696.6171.4-172.3-176.7-66.700109.7R175 A177 M180 V212 F215 W216 M219 L230R175-M227 CarbonylContact O-C 3.55Å; R175-M227 WeakPolarHBondContact O-CA 3.44Å; R175-M227 WeakPolarHBondContact O-CG 3.47Å; A177-M227 HydrophobicContact CB-CG 4.25Å; A177-M227 HydrophobicContact CB-SD 4Å; M180-M227 HydrophobicContact CE-CE 4.18Å; M180-M227 HydrophobicContact SD-CE 4.1Å; M180-M227 HydrophobicContact SD-SD 4.15Å; V212-M227 HydrophobicContact CG1-SD 4.12Å; F215-M227 HydrophobicContact CD1-CE 3.57Å; F215-M227 HydrophobicContact CE1-CE 3.96Å; W216-M227 HydrophobicContact CB-CE 3.54Å; W216-M227 HydrophobicContact CB-SD 3.77Å; W216-M227 HydrophobicContact CG-CE 4.24Å; W216-M227 HydrophobicContact CG-SD 4.25Å; M219-M227 HydrophobicContact SD-CE 3.61Å; M227-L230 HydrophobicContact CB-CD1 3.87Å; M227-L230 HydrophobicContact CB-CG 4.08Å; M227-L230 HydrophobicContact CG-CD1 4.46Å; M227-L230 HydrophobicContact CG-CG 4.14Å; M227-L230 VanDerWaalsContact O-CD1 3.26Å; M227-L230 WeakPolarHBondContact O-CD1 3.12Å; M227-L230 WeakPolarHBondContact O-CG 3.07Å; M227-L230 HydrophobicContact SD-CD2 3.96Å; M227-L230 HydrophobicContact SD-CG 4.14Å
228P91.8Very high90.6Very high68 Ų6839 Ų3944%0.44222%0.223SC..THydrogen-bonded Turntrans-56.9159175.621.9-36.1000113.3R175 A177 D226 L230R175-P228 WeakPolarHBondContact O-CD 3.49Å; R175-P228 WeakPolarHBondContact O-CG 3.47Å; A177-P228 PolarHBondContact N-O 3.1Å; A177-P228 VanDerWaalsContact N-O 3.07Å; D226-P228 WeakPolarHBondContact O-CD 3.45Å; P228-L230 PolarHBondContact O-N 2.73Å; P228-L230 VanDerWaalsContact O-N 3.17Å
229N93.5Very high90.6Very high78 Ų7840.5 Ų40.542%0.41723%0.229SC..THydrogen-bonded Turntrans60.118.3177.8-56.6-35.6000115D176 Q178 D231 I232D176-N229 PolarHBondContact OD1-ND2 3.4Å; D176-N229 PolarHBondContact OD2-ND2 3.27Å; Q178-N229 HydrophobicContact CB-CB 4.38Å; N229-D231 PolarHBondContact O-N 2.77Å; N229-D231 VanDerWaalsContact O-N 3.12Å; N229-I232 HydrophobicContact CB-CG2 4.21Å; N229-I232 WeakPolarHBondContact O-CB 3.23Å; N229-I232 WeakPolarHBondContact O-CG1 3.46Å; N229-I232 WeakPolarHBondContact O-CG2 3.29Å; N229-I232 PolarHBondContact O-N 3.07Å
230L94.5Very high90.8Very high20 Ų2042.5 Ų42.511%0.10524%0.236CC..G310 helixtrans-53.5-31.1173.1-93.2163.3000113.9A177 W216 M227 P228 I232 L233A177-L230 HydrophobicContact CB-CD2 4.41Å; A177-L230 HydrophobicContact CB-CG 4.38Å; W216-L230 HydrophobicContact CB-CD2 4.11Å; W216-L230 HydrophobicContact CD2-CD1 3.7Å; W216-L230 HydrophobicContact CD2-CD2 3.66Å; W216-L230 HydrophobicContact CD2-CG 4.35Å; W216-L230 HydrophobicContact CE3-CD1 4.47Å; W216-L230 HydrophobicContact CE3-CD2 3.89Å; W216-L230 HydrophobicContact CG-CD1 3.86Å; W216-L230 HydrophobicContact CG-CD2 3.75Å; W216-L230 HydrophobicContact CG-CG 4.39Å; W216-L230 HydrophobicContact CZ2-CD1 3.85Å; W216-L230 VanDerWaalsContact NE1-CD1 3.34Å; M227-L230 HydrophobicContact CB-CD1 3.87Å; M227-L230 HydrophobicContact CB-CG 4.08Å; M227-L230 HydrophobicContact CG-CD1 4.46Å; M227-L230 HydrophobicContact CG-CG 4.14Å; M227-L230 VanDerWaalsContact O-CD1 3.26Å; M227-L230 WeakPolarHBondContact O-CD1 3.12Å; M227-L230 WeakPolarHBondContact O-CG 3.07Å; M227-L230 HydrophobicContact SD-CD2 3.96Å; M227-L230 HydrophobicContact SD-CG 4.14Å; P228-L230 PolarHBondContact O-N 2.73Å; P228-L230 VanDerWaalsContact O-N 3.17Å; L230-I232 PolarHBondContact O-N 2.8Å; L230-I232 VanDerWaalsContact O-N 3.13Å; L230-L233 HydrophobicContact CD2-CD1 3.85Å; L230-L233 WeakPolarHBondContact O-CB 3.43Å; L230-L233 WeakPolarHBondContact O-CG 3.42Å; L230-L233 PolarHBondContact O-N 3.14Å
231D94.9Very high91.2Very high54 Ų5438.8 Ų38.829%0.28922%0.219SC..G310 helixtrans-66.9-8.9178.8-166.160.9000113.3R8 N229 L233 K289R8-D231 PolarHBondContact NH1-O 2.99Å; R8-D231 PolarHBondContact NH2-O 2.61Å; N229-D231 PolarHBondContact O-N 2.77Å; N229-D231 VanDerWaalsContact O-N 3.12Å; D231-L233 PolarHBondContact O-N 3.11Å; D231-K289 IonicContact OD1-NZ 3.57Å; D231-K289 PolarHBondContact OD1-NZ 3.3Å; D231-K289 IonicContact OD2-NZ 3.04Å; D231-K289 PolarHBondContact OD2-NZ 3.49Å; D231-K289 VanDerWaalsContact OD2-NZ 3.1Å
232I96.6Very high91.7Very high46 Ų4636.3 Ų36.324%0.23620%0.198CC..G310 helixtrans-65.7-26.2169.469.996.1000112A177 Q178 V181 N229 L230A177-I232 HydrophobicContact CB-CG1 4.38Å; Q178-I232 HydrophobicContact CB-CD1 4.41Å; Q178-I232 HydrophobicContact CB-CG1 4.05Å; Q178-I232 HydrophobicContact CB-CG2 4.21Å; V181-I232 HydrophobicContact CG2-CD1 4.05Å; N229-I232 HydrophobicContact CB-CG2 4.21Å; N229-I232 WeakPolarHBondContact O-CB 3.23Å; N229-I232 WeakPolarHBondContact O-CG1 3.46Å; N229-I232 WeakPolarHBondContact O-CG2 3.29Å; N229-I232 PolarHBondContact O-N 3.07Å; L230-I232 PolarHBondContact O-N 2.8Å; L230-I232 VanDerWaalsContact O-N 3.13Å
233L98.1Very high92.3Very high0 Ų034.5 Ų34.50%019%0.192CC..  trans-68.9133.8178.5-56.7179.7000109.6V181 Q209 V212 A213 L230 D231 S308 A309V181-L233 HydrophobicContact CG2-CD2 3.83Å; Q209-L233 HydrophobicContact CB-CD2 4.02Å; Q209-L233 HydrophobicContact CG-CD2 4.1Å; V212-L233 HydrophobicContact CB-CD2 4.39Å; V212-L233 HydrophobicContact CG1-CD1 4.2Å; V212-L233 HydrophobicContact CG1-CD2 4.35Å; A213-L233 HydrophobicContact CB-CD1 4.08Å; L230-L233 HydrophobicContact CD2-CD1 3.85Å; L230-L233 WeakPolarHBondContact O-CB 3.43Å; L230-L233 WeakPolarHBondContact O-CG 3.42Å; L230-L233 PolarHBondContact O-N 3.14Å; D231-L233 PolarHBondContact O-N 3.11Å; L233-S308 WeakPolarHBondContact O-CB 3.36Å; L233-A309 HydrophobicContact CB-CB 4.29Å; L233-A309 HydrophobicContact CD1-CB 4.35Å
234T98.5Very high93Very high0 Ų028.2 Ų28.20%015%0.153CC..  trans-95.6-179.9171.567.50000110.3P7 R8 Q209 F236 I282P7-T234 HydrophobicContact CB-CG2 4.04Å; R8-T234 HydrophobicContact CB-CG2 3.97Å; Q209-T234 PolarHBondContact NE2-OG1 2.84Å; Q209-T234 VanDerWaalsContact NE2-OG1 3.07Å; Q209-T234 PolarHBondContact OE1-OG1 3.31Å; T234-F236 WeakPolarHBondContact O-CE1 3.22Å; T234-I282 HydrophobicContact CG2-CG2 3.76Å
235M97.4Very high93.7Very high0 Ų026.1 Ų26.10%014%0.144CC..  trans-59.8155.6161.467.384.162.100110.9A237 V241 I282 V285 D312M235-A237 PolarHBondContact O-N 2.87Å; M235-A237 HydrophobicContact SD-CB 3.83Å; M235-V241 HydrophobicContact CE-CB 3.63Å; M235-V241 HydrophobicContact CE-CG1 3.25Å; M235-I282 HydrophobicContact CG-CG1 4.24Å; M235-I282 HydrophobicContact SD-CB 4.46Å; M235-I282 HydrophobicContact SD-CG1 3.77Å; M235-V285 HydrophobicContact CB-CB 3.87Å; M235-V285 HydrophobicContact CB-CG1 3.95Å; M235-V285 HydrophobicContact CB-CG2 3.81Å; M235-V285 HydrophobicContact CE-CG2 4.49Å; M235-V285 HydrophobicContact CG-CB 3.71Å; M235-V285 HydrophobicContact CG-CG1 4.35Å; M235-V285 HydrophobicContact CG-CG2 3.63Å; M235-D312 HydrophobicContact CB-CB 4.24Å; M235-D312 WeakPolarHBondContact CB-OD1 3.36Å
236F96Very high94.7Very high9 Ų926 Ų264%0.03914%0.136CC..  trans-96.594.9-174.8-46.1-47.2000109K206 Q209 I210 A213 T234 D238 A309 D312 F313K206-F236 HydrophobicContact CG-CB 4.12Å; Q209-F236 HydrophobicContact CB-CD1 3.76Å; Q209-F236 HydrophobicContact CB-CE1 3.67Å; I210-F236 HydrophobicContact CD1-CB 3.93Å; I210-F236 HydrophobicContact CD1-CD2 4.34Å; I210-F236 HydrophobicContact CD1-CG 4.14Å; I210-F236 HydrophobicContact CG1-CB 3.75Å; I210-F236 HydrophobicContact CG1-CD1 3.82Å; I210-F236 HydrophobicContact CG1-CD2 3.53Å; I210-F236 HydrophobicContact CG1-CE1 4.34Å; I210-F236 HydrophobicContact CG1-CE2 4.08Å; I210-F236 HydrophobicContact CG1-CG 3.39Å; I210-F236 HydrophobicContact CG1-CZ 4.46Å; A213-F236 HydrophobicContact CB-CE1 4.31Å; A213-F236 HydrophobicContact CB-CE2 4.17Å; A213-F236 HydrophobicContact CB-CZ 3.46Å; A213-F236 VanDerWaalsContact CB-CZ 3.46Å; T234-F236 WeakPolarHBondContact O-CE1 3.22Å; F236-D238 VanDerWaalsContact C-N 3.34Å; F236-D238 PolarHBondContact O-N 3.49Å; F236-A309 HydrophobicContact CZ-CB 3.86Å; F236-D312 HydrophobicContact CD2-CB 4.07Å; F236-D312 WeakPolarHBondContact CD2-OD2 3.38Å; F236-D312 HydrophobicContact CE2-CB 4.19Å; F236-D312 PolarHBondContact N-OD1 3.32Å; F236-F313 HydrophobicContact CE2-CD1 4.32Å; F236-F313 AromaticContact CE2-CE1 3.9Å; F236-F313 HydrophobicContact CE2-CE1 3.9Å
237A90.4Very high95.2Very high2 Ų222.3 Ų22.32%0.01712%0.115CC..  trans-65.785.4-170.700000113.6M235 R278 I282M235-A237 PolarHBondContact O-N 2.87Å; M235-A237 HydrophobicContact SD-CB 3.83Å; A237-R278 HydrophobicContact CB-CB 3.71Å; A237-R278 HydrophobicContact CB-CG 4.08Å; A237-R278 PolarHBondContact O-NE 3.27Å; A237-R278 PolarHBondContact O-NH2 2.94Å; A237-I282 HydrophobicContact CB-CD1 4.21Å; A237-I282 HydrophobicContact CB-CG1 4.06Å
238D90.8Very high95.5Very high11 Ų1123.2 Ų23.26%0.05912%0.12CC..  trans-99.2-156.9173.880.5-5000111.9F236 R240 V241 P242 W316 H332F236-D238 VanDerWaalsContact C-N 3.34Å; F236-D238 PolarHBondContact O-N 3.49Å; D238-R240 PolarHBondContact OD1-N 2.96Å; D238-V241 PolarHBondContact OD1-N 2.63Å; D238-P242 WeakPolarHBondContact O-CD 3.21Å; D238-P242 WeakPolarHBondContact O-CG 3.17Å; D238-W316 PolarHBondContact OD2-NE1 2.89Å; D238-H332 PolarHBondContact O-CE1 2.96Å
239Y90.8Very high95.9Very high33 Ų3321.1 Ų21.113%0.12911%0.11CC..SBendtrans-93-21.1177.261.8-88000115.1W79 I331 Y339W79-Y239 AromaticContact CE3-CD1 3.77Å; W79-Y239 HydrophobicContact CE3-CD1 3.77Å; W79-Y239 AromaticContact CE3-CE1 3.65Å; W79-Y239 HydrophobicContact CE3-CE1 3.65Å; W79-Y239 HydrophobicContact CE3-CG 4.4Å; W79-Y239 AromaticContact CZ3-CD1 3.96Å; W79-Y239 HydrophobicContact CZ3-CD1 3.96Å; W79-Y239 HydrophobicContact CZ3-CE1 4.07Å; Y239-I331 HydrophobicContact CD2-CB 4.1Å; Y239-I331 HydrophobicContact CD2-CD1 3.46Å; Y239-I331 VanDerWaalsContact CD2-CD1 3.46Å; Y239-I331 HydrophobicContact CD2-CG1 4.38Å; Y239-I331 HydrophobicContact CD2-CG2 4.01Å; Y239-I331 HydrophobicContact CE2-CD1 3.8Å; Y239-I331 HydrophobicContact CG-CD1 4.37Å; Y239-Y339 WeakPolarHBondContact CA-OH 3.45Å; Y239-Y339 VanDerWaalsContact CB-CZ 3.49Å; Y239-Y339 WeakPolarHBondContact CB-OH 2.94Å; Y239-Y339 HydrophobicContact CD1-CE1 4.19Å; Y239-Y339 HydrophobicContact CG-CE1 4.49Å
240R93.6Very high96.1Very high47 Ų4717.4 Ų17.418%0.1779%0.09CC..Hα-helixtrans-92.9-41.5-172.4-66.9-58.7-62.8-175.10112.4D238 Q243 A244 A319D238-R240 PolarHBondContact OD1-N 2.96Å; R240-Q243 WeakPolarHBondContact O-CB 3.5Å; R240-Q243 PolarHBondContact O-N 3.33Å; R240-A244 PolarHBondContact O-N 2.8Å; R240-A319 HydrophobicContact CB-CB 4.06Å; R240-A319 PolarHBondContact NH2-O 3.02Å
241V95.9Very high96.3Very high0 Ų016.6 Ų16.60%09%0.086CC..Hα-helixtrans-66-42.5-179.6-175.70000111.4M235 D238 Q243 A244 L245 L315 W316M235-V241 HydrophobicContact CE-CB 3.63Å; M235-V241 HydrophobicContact CE-CG1 3.25Å; D238-V241 PolarHBondContact OD1-N 2.63Å; V241-Q243 VanDerWaalsContact C-N 3.3Å; V241-Q243 PolarHBondContact O-N 2.95Å; V241-A244 PolarHBondContact O-N 3.2Å; V241-A244 VanDerWaalsContact O-N 3.17Å; V241-L245 HydrophobicContact CG1-CD1 4.32Å; V241-L245 HydrophobicContact CG1-CG 4.44Å; V241-L245 WeakPolarHBondContact O-CG 3.36Å; V241-L245 PolarHBondContact O-N 3.38Å; V241-L315 HydrophobicContact CG1-CB 3.93Å; V241-L315 HydrophobicContact CG1-CD1 3.94Å; V241-W316 HydrophobicContact CG2-CB 4.01Å
242P97Very high96.5Very high0 Ų019.2 Ų19.20%09%0.092CC..Hα-helixtrans-59.4-39.2172.9-25.736.6000113.1D238 A244 L245 V246 Y253 I277 S281D238-P242 WeakPolarHBondContact O-CD 3.21Å; D238-P242 WeakPolarHBondContact O-CG 3.17Å; P242-A244 PolarHBondContact O-N 2.99Å; P242-L245 PolarHBondContact O-N 2.95Å; P242-V246 WeakPolarHBondContact O-CG2 3.47Å; P242-V246 PolarHBondContact O-N 3.01Å; P242-Y253 WeakPolarHBondContact CB-OH 3.29Å; P242-I277 HydrophobicContact CB-CG2 3.71Å; P242-I277 HydrophobicContact CG-CG2 4.04Å; P242-S281 VanDerWaalsContact CB-OG 3.31Å; P242-S281 WeakPolarHBondContact CB-OG 3.42Å; P242-S281 VanDerWaalsContact CG-OG 3.27Å; P242-S281 WeakPolarHBondContact CG-OG 3.36Å
243Q96.4Very high96.6Very high9 Ų917.5 Ų17.54%0.0428%0.083CC..Hα-helixtrans-60.6-44175.6-172.4-168.333.600111.4R240 V241 V246 H247 M326 I329 I331R240-Q243 WeakPolarHBondContact O-CB 3.5Å; R240-Q243 PolarHBondContact O-N 3.33Å; V241-Q243 VanDerWaalsContact C-N 3.3Å; V241-Q243 PolarHBondContact O-N 2.95Å; Q243-V246 PolarHBondContact O-N 3.42Å; Q243-H247 PolarHBondContact O-N 3.13Å; Q243-M326 HydrophobicContact CG-CB 4.31Å; Q243-M326 HydrophobicContact CG-CE 4.46Å; Q243-M326 HydrophobicContact CG-SD 4.44Å; Q243-M326 PolarHBondContact NE2-O 3.49Å; Q243-I329 HydrophobicContact CG-CB 4.11Å; Q243-I329 HydrophobicContact CG-CG2 3.9Å; Q243-I329 PolarHBondContact NE2-O 3.33Å; Q243-I331 HydrophobicContact CB-CG2 4.23Å; Q243-I331 HydrophobicContact CG-CG2 4.23Å
244A97.6Very high96.6Very high0 Ų018.2 Ų18.20%09%0.088CC..Hα-helixtrans-64.6-39.9175.500000112.6R240 V241 P242 V246 H247 L248 Y318 A319 M326R240-A244 PolarHBondContact O-N 2.8Å; V241-A244 PolarHBondContact O-N 3.2Å; V241-A244 VanDerWaalsContact O-N 3.17Å; P242-A244 PolarHBondContact O-N 2.99Å; A244-V246 VanDerWaalsContact C-N 3.32Å; A244-V246 PolarHBondContact O-N 3.46Å; A244-H247 WeakPolarHBondContact O-CB 3.4Å; A244-H247 PolarHBondContact O-N 3.4Å; A244-L248 WeakPolarHBondContact O-CB 3.42Å; A244-L248 VanDerWaalsContact O-CG 3.25Å; A244-L248 WeakPolarHBondContact O-CG 3.36Å; A244-L248 PolarHBondContact O-N 3.27Å; A244-Y318 HydrophobicContact CB-CD1 4.19Å; A244-A319 HydrophobicContact CB-CB 3.86Å; A244-M326 HydrophobicContact CB-SD 4.08Å
245L98.5Very high96.5Very high0 Ų025.1 Ų25.10%013%0.125CC..Hα-helixtrans-64.2-36176.1-69.5172.3000112.3V241 P242 G249 A250 L251 C284 V285 I288 L315V241-L245 HydrophobicContact CG1-CD1 4.32Å; V241-L245 HydrophobicContact CG1-CG 4.44Å; V241-L245 WeakPolarHBondContact O-CG 3.36Å; V241-L245 PolarHBondContact O-N 3.38Å; P242-L245 PolarHBondContact O-N 2.95Å; L245-G249 PolarHBondContact O-N 2.93Å; L245-A250 HydrophobicContact CD2-CB 4.35Å; L245-A250 PolarHBondContact O-N 3.09Å; L245-L251 HydrophobicContact CB-CB 4.14Å; L245-L251 HydrophobicContact CB-CD1 3.64Å; L245-L251 HydrophobicContact CB-CG 3.77Å; L245-L251 HydrophobicContact CD1-CD1 3.79Å; L245-L251 HydrophobicContact CD1-CG 4.3Å; L245-L251 HydrophobicContact CG-CD1 4.39Å; L245-L251 PolarHBondContact O-N 3.29Å; L245-C284 HydrophobicContact CD1-CB 4.3Å; L245-V285 HydrophobicContact CD1-CG2 4.03Å; L245-V285 HydrophobicContact CD2-CG2 4.31Å; L245-I288 HydrophobicContact CD2-CD1 3.79Å; L245-L315 HydrophobicContact CD2-CD1 3.96Å
246V98.3Very high96.6Very high26 Ų2629.6 Ų29.616%0.15815%0.152CC..Hα-helixtrans-66.5-44.3171.81760000111P242 Q243 A244 L248 G249 L251 Y253 I329P242-V246 WeakPolarHBondContact O-CG2 3.47Å; P242-V246 PolarHBondContact O-N 3.01Å; Q243-V246 PolarHBondContact O-N 3.42Å; A244-V246 VanDerWaalsContact C-N 3.32Å; A244-V246 PolarHBondContact O-N 3.46Å; V246-L248 VanDerWaalsContact C-N 3.33Å; V246-L248 PolarHBondContact O-N 3.08Å; V246-G249 WeakPolarHBondContact O-CA 3.32Å; V246-G249 PolarHBondContact O-N 2.9Å; V246-L251 WeakPolarHBondContact CA-O 3.36Å; V246-L251 HydrophobicContact CG2-CB 3.74Å; V246-Y253 HydrophobicContact CG2-CD1 4.11Å; V246-Y253 HydrophobicContact CG2-CD2 4.33Å; V246-Y253 HydrophobicContact CG2-CE1 3.65Å; V246-Y253 HydrophobicContact CG2-CE2 3.9Å; V246-Y253 HydrophobicContact CG2-CG 4.42Å; V246-I329 HydrophobicContact CB-CD1 4.42Å; V246-I329 HydrophobicContact CB-CG2 4.13Å; V246-I329 HydrophobicContact CG1-CD1 4.02Å; V246-I329 HydrophobicContact CG1-CG1 4.37Å; V246-I329 HydrophobicContact CG1-CG2 3.9Å
247H97.9Very high96.7Very high57 Ų5729.1 Ų29.126%0.26415%0.15SC..Hα-helixtrans-59.9-42.1177.6178.961.5000112.9Q243 A244 G249 M326 I329Q243-H247 PolarHBondContact O-N 3.13Å; A244-H247 WeakPolarHBondContact O-CB 3.4Å; A244-H247 PolarHBondContact O-N 3.4Å; H247-G249 PolarHBondContact O-N 3.2Å; H247-M326 HydrophobicContact CB-CG 3.67Å; H247-M326 HydrophobicContact CB-SD 3.69Å; H247-M326 VanDerWaalsContact CG-CG 3.48Å; H247-I329 HydrophobicContact CB-CD1 3.69Å
248L98.1Very high97Very high28 Ų2830.2 Ų30.215%0.14716%0.155CC..THydrogen-bonded Turntrans-72.4-8.1175.7-67.6167.6000112.8R30 V31 M34 A244 V246 A250 L315 Y318R30-L248 PolarHBondContact NH2-O 3.13Å; V31-L248 HydrophobicContact CG2-CB 3.67Å; V31-L248 HydrophobicContact CG2-CD1 3.99Å; V31-L248 HydrophobicContact CG2-CG 4.28Å; M34-L248 HydrophobicContact CE-CD1 4.46Å; M34-L248 HydrophobicContact CE-CD2 4.48Å; M34-L248 HydrophobicContact SD-CD2 4.37Å; A244-L248 WeakPolarHBondContact O-CB 3.42Å; A244-L248 VanDerWaalsContact O-CG 3.25Å; A244-L248 WeakPolarHBondContact O-CG 3.36Å; A244-L248 PolarHBondContact O-N 3.27Å; V246-L248 VanDerWaalsContact C-N 3.33Å; V246-L248 PolarHBondContact O-N 3.08Å; L248-A250 VanDerWaalsContact C-N 3.3Å; L248-A250 PolarHBondContact O-N 3.17Å; L248-L315 HydrophobicContact CD1-CD2 3.94Å; L248-Y318 HydrophobicContact CD1-CE1 4.14Å; L248-Y318 HydrophobicContact CD2-CE1 4.07Å; L248-Y318 WeakPolarHBondContact CD2-OH 3.43Å; L248-Y318 HydrophobicContact CG-CE1 4.14Å
249G98.3Very high97.3Very high23 Ų2335.3 Ų35.324%0.23718%0.179CC..THydrogen-bonded Turntrans73.118.218000000114.1E24 G27 L245 V246 H247E24-G249 VanDerWaalsContact CB-O 3.31Å; E24-G249 WeakPolarHBondContact CB-O 3.39Å; G27-G249 VanDerWaalsContact CA-O 3.32Å; G27-G249 WeakPolarHBondContact CA-O 3.26Å; L245-G249 PolarHBondContact O-N 2.93Å; V246-G249 WeakPolarHBondContact O-CA 3.32Å; V246-G249 PolarHBondContact O-N 2.9Å; H247-G249 PolarHBondContact O-N 3.2Å
250A98.7Very high97.6Very high0 Ų034.3 Ų34.30%018%0.176CC..SBendtrans-86.1-22.3174.700000112.4E24 V28 V31 L245 L248 I288E24-A250 PolarHBondContact N-O 3.12Å; V28-A250 HydrophobicContact CG2-CB 4.24Å; V31-A250 HydrophobicContact CG2-CB 4.1Å; L245-A250 HydrophobicContact CD2-CB 4.35Å; L245-A250 PolarHBondContact O-N 3.09Å; L248-A250 VanDerWaalsContact C-N 3.3Å; L248-A250 PolarHBondContact O-N 3.17Å; A250-I288 HydrophobicContact CB-CD1 4.42Å
251L98.5Very high97.7Very high3 Ų332.4 Ų32.42%0.01617%0.169CC..EExtended strand (participates in β ladder)trans-117.6154.5165.6-72.4179.5000110.5V21 F22 V23 L245 V246 C280 S281 C284V21-L251 HydrophobicContact CG1-CD2 4.28Å; F22-L251 CarbonylContact O-C 3.6Å; F22-L251 WeakPolarHBondContact O-CA 3.37Å; V23-L251 HydrophobicContact CB-CD2 4.47Å; V23-L251 HydrophobicContact CG2-CD2 3.84Å; L245-L251 HydrophobicContact CB-CB 4.14Å; L245-L251 HydrophobicContact CB-CD1 3.64Å; L245-L251 HydrophobicContact CB-CG 3.77Å; L245-L251 HydrophobicContact CD1-CD1 3.79Å; L245-L251 HydrophobicContact CD1-CG 4.3Å; L245-L251 HydrophobicContact CG-CD1 4.39Å; L245-L251 PolarHBondContact O-N 3.29Å; V246-L251 WeakPolarHBondContact CA-O 3.36Å; V246-L251 HydrophobicContact CG2-CB 3.74Å; L251-C280 HydrophobicContact CD2-CB 4.18Å; L251-S281 VanDerWaalsContact CD1-OG 3.31Å; L251-S281 WeakPolarHBondContact CD1-OG 3.46Å; L251-C284 HydrophobicContact CD2-CB 3.78Å; L251-C284 HydrophobicContact CG-CB 4.17Å
252R98.5Very high97.6Very high109 Ų10940.1 Ų40.141%0.41120%0.198SC..EExtended strand (participates in β ladder)trans-139138.8169.3-178.9178.958.273.67.7109.9F22 E24F22-R252 PolarHBondContact N-O 2.84Å; F22-R252 PolarHBondContact O-N 3.13Å; E24-R252 HydrophobicContact CG-CB 3.77Å; E24-R252 IonicContact OE1-CZ 2.88Å; E24-R252 IonicContact OE1-NE 3.72Å; E24-R252 PolarHBondContact OE1-NE 3.34Å; E24-R252 IonicContact OE1-NH2 3.63Å; E24-R252 PolarHBondContact OE1-NH2 3.22Å; E24-R252 VanDerWaalsContact OE1-NH2 3.16Å
253Y98.4Very high97.5Very high10 Ų1045.2 Ų45.24%0.03923%0.225CC..EExtended strand (participates in β ladder)trans-96.9152.2171.9-59.6-18.3000110.6D20 V21 P242 V246 L257 M258 L261 I277D20-Y253 CarbonylContact O-C 3.35Å; D20-Y253 VanDerWaalsContact O-CA 3.25Å; D20-Y253 WeakPolarHBondContact O-CA 3.48Å; V21-Y253 HydrophobicContact CB-CD1 4.3Å; V21-Y253 HydrophobicContact CG1-CD1 3.88Å; V21-Y253 HydrophobicContact CG1-CE1 3.81Å; V21-Y253 HydrophobicContact CG2-CD1 3.84Å; V21-Y253 HydrophobicContact CG2-CE1 4.07Å; P242-Y253 WeakPolarHBondContact CB-OH 3.29Å; V246-Y253 HydrophobicContact CG2-CD1 4.11Å; V246-Y253 HydrophobicContact CG2-CD2 4.33Å; V246-Y253 HydrophobicContact CG2-CE1 3.65Å; V246-Y253 HydrophobicContact CG2-CE2 3.9Å; V246-Y253 HydrophobicContact CG2-CG 4.42Å; Y253-L257 HydrophobicContact CD1-CD2 4.12Å; Y253-L257 HydrophobicContact CD2-CD2 4.34Å; Y253-L257 HydrophobicContact CG-CD2 3.91Å; Y253-L257 HydrophobicContact CG-CG 4.43Å; Y253-M258 HydrophobicContact CD2-SD 3.64Å; Y253-M258 HydrophobicContact CG-SD 4.22Å; Y253-L261 HydrophobicContact CD2-CD1 3.85Å; Y253-L261 HydrophobicContact CE2-CD1 3.81Å; Y253-I277 HydrophobicContact CE1-CG1 4.18Å; Y253-I277 HydrophobicContact CE1-CG2 4.5Å; Y253-I277 WeakPolarHBondContact OH-CG2 3.38Å
254S98.5Very high97.2Very high16 Ų1646.7 Ų46.711%0.11224%0.244CC..  trans-63.9158.4168.170.10000110.5D20 T256 L257 M258D20-S254 PolarHBondContact O-N 3.38Å; D20-S254 WeakPolarHBondContact OD1-CB 3.25Å; D20-S254 PolarHBondContact OD1-OG 2.99Å; S254-T256 VanDerWaalsContact C-N 3.26Å; S254-T256 PolarHBondContact O-N 2.97Å; S254-L257 PolarHBondContact O-N 3.18Å; S254-L257 WeakPolarHBondContact OG-CB 3.42Å; S254-L257 PolarHBondContact OG-N 3.1Å; S254-L257 VanDerWaalsContact OG-N 3.09Å; S254-M258 WeakPolarHBondContact O-CG 3.47Å; S254-M258 PolarHBondContact O-N 3.36Å
255D98Very high97Very high144 Ų14450.7 Ų50.777%0.7726%0.262SS*.Hα-helixtrans-59.9-40176.4-65.3-33.3000111.5M258 E259D255-M258 PolarHBondContact O-N 2.89Å; D255-E259 WeakPolarHBondContact O-CB 3.39Å; D255-E259 PolarHBondContact O-N 3.28Å
256T97.8Very high96.8Very high94 Ų9456.3 Ų56.358%0.57729%0.291SS*.Hα-helixtrans-61-45.3176.9-47.30000112.1S254 E259 T260S254-T256 VanDerWaalsContact C-N 3.26Å; S254-T256 PolarHBondContact O-N 2.97Å; T256-E259 PolarHBondContact O-N 2.97Å; T256-T260 WeakPolarHBondContact O-CB 3.42Å; T256-T260 PolarHBondContact O-N 3.19Å; T256-T260 PolarHBondContact O-OG1 2.91Å
257L98.1Very high96.7Very high0 Ų055.2 Ų55.20%029%0.285CS..Hα-helixtrans-68.6-41.4177.3178.160.5000110.8D20 V21 Y253 S254 E259 T260 L261 R273 I277D20-L257 HydrophobicContact CB-CB 3.87Å; D20-L257 HydrophobicContact CB-CD2 3.8Å; D20-L257 HydrophobicContact CB-CG 4.39Å; V21-L257 HydrophobicContact CG2-CD2 3.57Å; Y253-L257 HydrophobicContact CD1-CD2 4.12Å; Y253-L257 HydrophobicContact CD2-CD2 4.34Å; Y253-L257 HydrophobicContact CG-CD2 3.91Å; Y253-L257 HydrophobicContact CG-CG 4.43Å; S254-L257 PolarHBondContact O-N 3.18Å; S254-L257 WeakPolarHBondContact OG-CB 3.42Å; S254-L257 PolarHBondContact OG-N 3.1Å; S254-L257 VanDerWaalsContact OG-N 3.09Å; L257-E259 VanDerWaalsContact C-N 3.29Å; L257-E259 PolarHBondContact O-N 3.41Å; L257-T260 WeakPolarHBondContact O-CB 3.41Å; L257-T260 PolarHBondContact O-N 3.12Å; L257-L261 HydrophobicContact CD1-CD1 4.4Å; L257-L261 HydrophobicContact CD1-CD2 4.37Å; L257-L261 HydrophobicContact CD1-CG 4.12Å; L257-L261 HydrophobicContact CG-CD1 4.29Å; L257-L261 HydrophobicContact CG-CG 4.41Å; L257-L261 VanDerWaalsContact O-CG 3.27Å; L257-L261 WeakPolarHBondContact O-CG 3.47Å; L257-L261 PolarHBondContact O-N 3.45Å; L257-R273 HydrophobicContact CD1-CB 3.92Å; L257-R273 HydrophobicContact CD1-CG 4.11Å; L257-I277 HydrophobicContact CD1-CD1 4.38Å; L257-I277 HydrophobicContact CD2-CD1 4.14Å; L257-I277 HydrophobicContact CD2-CG1 4.01Å
258M97.4Very high96.6Very high24 Ų2456.6 Ų56.612%0.11830%0.301CS..Hα-helixtrans-58.4-41.7174.4-76.1-61.5-62.400112.2Y253 S254 D255 L261 R262Y253-M258 HydrophobicContact CD2-SD 3.64Å; Y253-M258 HydrophobicContact CG-SD 4.22Å; S254-M258 WeakPolarHBondContact O-CG 3.47Å; S254-M258 PolarHBondContact O-N 3.36Å; D255-M258 PolarHBondContact O-N 2.89Å; M258-L261 PolarHBondContact O-N 3.01Å; M258-R262 WeakPolarHBondContact O-CB 3.43Å; M258-R262 VanDerWaalsContact O-CG 3.26Å; M258-R262 WeakPolarHBondContact O-CG 3.11Å; M258-R262 PolarHBondContact O-N 3.02Å
259E97Very high96.5Very high119 Ų11957.9 Ų57.956%0.55631%0.312SS*.Hα-helixtrans-64.9-46.6175.9-173.6172.1-163.600111.9D255 T256 L257 L261 R262 N263D255-E259 WeakPolarHBondContact O-CB 3.39Å; D255-E259 PolarHBondContact O-N 3.28Å; T256-E259 PolarHBondContact O-N 2.97Å; L257-E259 VanDerWaalsContact C-N 3.29Å; L257-E259 PolarHBondContact O-N 3.41Å; E259-L261 VanDerWaalsContact C-N 3.28Å; E259-L261 PolarHBondContact O-N 2.97Å; E259-R262 PolarHBondContact O-N 2.68Å; E259-R262 VanDerWaalsContact O-N 3.17Å; E259-N263 VanDerWaalsContact O-CG 3.27Å; E259-N263 PolarHBondContact O-N 3.01Å; E259-N263 PolarHBondContact O-ND2 2.68Å
260T96.6Very high96.4Very high12 Ų1258.4 Ų58.47%0.07432%0.317CS..Hα-helixtrans-50.1-50.1173.2-60.90000110.9T256 L257 N263 E265 L267 R273T256-T260 WeakPolarHBondContact O-CB 3.42Å; T256-T260 PolarHBondContact O-N 3.19Å; T256-T260 PolarHBondContact O-OG1 2.91Å; L257-T260 WeakPolarHBondContact O-CB 3.41Å; L257-T260 PolarHBondContact O-N 3.12Å; T260-N263 PolarHBondContact O-N 3.17Å; T260-E265 HydrophobicContact CG2-CB 3.83Å; T260-E265 HydrophobicContact CG2-CG 4.32Å; T260-E265 WeakPolarHBondContact O-CB 3.23Å; T260-E265 PolarHBondContact O-N 2.95Å; T260-L267 HydrophobicContact CG2-CD2 4.12Å; T260-R273 VanDerWaalsContact CG2-NH1 3.32Å
261L95.3Very high96.3Very high6 Ų660.2 Ų60.23%0.03133%0.327CS..Hα-helixtrans-70.1-37.2-177.7-62.2-177.6000112.3Y253 L257 M258 E259 N263 G264 L267 I277 P330 H332Y253-L261 HydrophobicContact CD2-CD1 3.85Å; Y253-L261 HydrophobicContact CE2-CD1 3.81Å; L257-L261 HydrophobicContact CD1-CD1 4.4Å; L257-L261 HydrophobicContact CD1-CD2 4.37Å; L257-L261 HydrophobicContact CD1-CG 4.12Å; L257-L261 HydrophobicContact CG-CD1 4.29Å; L257-L261 HydrophobicContact CG-CG 4.41Å; L257-L261 VanDerWaalsContact O-CG 3.27Å; L257-L261 WeakPolarHBondContact O-CG 3.47Å; L257-L261 PolarHBondContact O-N 3.45Å; M258-L261 PolarHBondContact O-N 3.01Å; E259-L261 VanDerWaalsContact C-N 3.28Å; E259-L261 PolarHBondContact O-N 2.97Å; L261-N263 VanDerWaalsContact C-N 3.27Å; L261-N263 PolarHBondContact O-N 3.3Å; L261-G264 PolarHBondContact O-N 3.3Å; L261-L267 HydrophobicContact CD2-CD1 4.26Å; L261-I277 HydrophobicContact CD1-CD1 4.49Å; L261-P330 HydrophobicContact CB-CB 3.98Å; L261-P330 HydrophobicContact CB-CG 4.27Å; L261-H332 HydrophobicContact CD2-CB 3.66Å
262R94.9Very high96.3Very high163 Ų16364 Ų6462%0.61534%0.341SS*.Hα-helixtrans-64.4-32.2175-77.2174-178.2151.32.2112.6M258 E259 G264 P330M258-R262 WeakPolarHBondContact O-CB 3.43Å; M258-R262 VanDerWaalsContact O-CG 3.26Å; M258-R262 WeakPolarHBondContact O-CG 3.11Å; M258-R262 PolarHBondContact O-N 3.02Å; E259-R262 PolarHBondContact O-N 2.68Å; E259-R262 VanDerWaalsContact O-N 3.17Å; R262-G264 PolarHBondContact O-N 3.47Å; R262-P330 HydrophobicContact CB-CG 4.36Å; R262-P330 HydrophobicContact CG-CG 3.6Å
263N94.2Very high96.3Very high106 Ų10661.3 Ų61.357%0.56733%0.331SS*.THydrogen-bonded Turntrans-74.1-3.4174.8-67-20.4000112.9E259 T260 L261 E265E259-N263 VanDerWaalsContact O-CG 3.27Å; E259-N263 PolarHBondContact O-N 3.01Å; E259-N263 PolarHBondContact O-ND2 2.68Å; T260-N263 PolarHBondContact O-N 3.17Å; L261-N263 VanDerWaalsContact C-N 3.27Å; L261-N263 PolarHBondContact O-N 3.3Å; N263-E265 VanDerWaalsContact C-N 3.26Å; N263-E265 HydrophobicContact CB-CG 4.22Å; N263-E265 PolarHBondContact O-N 3.1Å
264G91Very high96.3Very high41 Ų4161 Ų6142%0.42333%0.33SS..THydrogen-bonded Turntrans70.821.2-179.900000113.2L261 R262 L266L261-G264 PolarHBondContact O-N 3.3Å; R262-G264 PolarHBondContact O-N 3.47Å; G264-L266 PolarHBondContact O-N 2.86Å
265E93.8Very high96.3Very high83 Ų8360.2 Ų60.239%0.38832%0.324SS..PPolyproline II helixtrans-62.3132.1179.8-70.1-178.1-142.600111.1T260 N263 R273T260-E265 HydrophobicContact CG2-CB 3.83Å; T260-E265 HydrophobicContact CG2-CG 4.32Å; T260-E265 WeakPolarHBondContact O-CB 3.23Å; T260-E265 PolarHBondContact O-N 2.95Å; N263-E265 VanDerWaalsContact C-N 3.26Å; N263-E265 HydrophobicContact CB-CG 4.22Å; N263-E265 PolarHBondContact O-N 3.1Å; E265-R273 IonicContact OE2-NH1 3.8Å
266L93.9Very high96.3Very high118 Ų11853.3 Ų53.362%0.61829%0.288SS*.BIsolated β-bridgetrans-76.1128172.4-63.1179000109.5G264 H333G264-L266 PolarHBondContact O-N 2.86Å; L266-H333 WeakPolarHBondContact CA-O 3.37Å; L266-H333 HydrophobicContact CD2-CB 3.52Å
267L95.9Very high96.3Very high3 Ų348.9 Ų48.92%0.01626%0.26CS..PPolyproline II helixtrans-92.4128.9170.6-55.5-175.7000108.5T260 L261 R273 E274 I277 H332 H333 T334T260-L267 HydrophobicContact CG2-CD2 4.12Å; L261-L267 HydrophobicContact CD2-CD1 4.26Å; L267-R273 HydrophobicContact CD1-CB 3.96Å; L267-R273 HydrophobicContact CD2-CB 4.43Å; L267-R273 VanDerWaalsContact CD2-CZ 3.44Å; L267-E274 HydrophobicContact CB-CB 4.07Å; L267-E274 HydrophobicContact CD1-CB 4.26Å; L267-I277 HydrophobicContact CD1-CD1 4.16Å; L267-H332 HydrophobicContact CD1-CB 4.11Å; L267-H333 PolarHBondContact N-O 2.73Å; L267-T334 WeakPolarHBondContact O-CA 3.21Å; L267-T334 WeakPolarHBondContact O-CG2 3.21Å; L267-T334 PolarHBondContact O-OG1 3.05Å
268S96.1Very high96.3Very high87 Ų8748.9 Ų48.961%0.60826%0.26SS*.PPolyproline II helixtrans-68.2149.7173.8-65.10000110.5G270 D271S268-G270 PolarHBondContact O-N 3.1Å; S268-D271 WeakPolarHBondContact O-CB 3.31Å; S268-D271 PolarHBondContact O-N 3.15Å
269S95.9Very high96.4Very high55 Ų5547.8 Ų47.839%0.38526%0.255SS..THydrogen-bonded Turntrans-61.6127.8170.7-175.30000109.7D271S269-D271 VanDerWaalsContact C-N 3.31Å
270G96.1Very high96.5Very high33 Ų3342.1 Ų42.134%0.3423%0.228SC..THydrogen-bonded Turntrans82.82-172.800000114.3S268 E274S268-G270 PolarHBondContact O-N 3.1Å; G270-E274 PolarHBondContact N-OE2 3.18Å
271D97.5Very high96.6Very high39 Ų3941.5 Ų41.521%0.20923%0.225CC..  trans-59.2140165.8-176.8-73.5000108.9S268 S269 R273 E274 V275S268-D271 WeakPolarHBondContact O-CB 3.31Å; S268-D271 PolarHBondContact O-N 3.15Å; S269-D271 VanDerWaalsContact C-N 3.31Å; D271-R273 PolarHBondContact O-N 3.33Å; D271-R273 VanDerWaalsContact O-N 3.17Å; D271-R273 VanDerWaalsContact OD1-CB 3.28Å; D271-R273 WeakPolarHBondContact OD1-CB 3.33Å; D271-R273 IonicContact OD1-CZ 2.74Å; D271-R273 PolarHBondContact OD1-N 3.5Å; D271-R273 IonicContact OD1-NE 3.77Å; D271-R273 PolarHBondContact OD1-NE 3.03Å; D271-R273 IonicContact OD1-NH2 2.73Å; D271-R273 IonicContact OD2-CZ 3.1Å; D271-R273 IonicContact OD2-NE 3.73Å; D271-R273 IonicContact OD2-NH2 3.97Å; D271-R273 PolarHBondContact OD2-NH2 3.04Å; D271-E274 HydrophobicContact CB-CB 4.26Å; D271-E274 PolarHBondContact O-N 3.19Å; D271-E274 VanDerWaalsContact O-N 3.1Å; D271-V275 WeakPolarHBondContact O-CG2 3.36Å; D271-V275 PolarHBondContact O-N 3.16Å
272R98Very high96.8Very high82 Ų8241.3 Ų41.331%0.30922%0.224SC..Hα-helixtrans-50.1-44.3-179.9-175.6-172.756.578.10.1112.2D20 Y197 E276D20-R272 IonicContact OD2-CZ 3.76Å; D20-R272 IonicContact OD2-NH1 3.51Å; D20-R272 PolarHBondContact OD2-NH1 2.88Å; D20-R272 IonicContact OD2-NH2 2.72Å; D20-R272 PolarHBondContact OD2-NH2 3Å; Y197-R272 HydrophobicContact CD2-CG 4.42Å; Y197-R272 HydrophobicContact CE2-CG 3.7Å; R272-E276 WeakPolarHBondContact CD-OE1 3.21Å; R272-E276 HydrophobicContact CG-CG 4.49Å; R272-E276 VanDerWaalsContact CG-OE1 3.24Å; R272-E276 WeakPolarHBondContact CG-OE1 3.15Å; R272-E276 IonicContact CZ-OE1 3.87Å; R272-E276 IonicContact NE-OE1 2.72Å; R272-E276 IonicContact NH1-OE1 2.7Å; R272-E276 PolarHBondContact NH1-OE1 3.13Å; R272-E276 IonicContact NH1-OE2 3.18Å; R272-E276 PolarHBondContact NH1-OE2 2.88Å; R272-E276 VanDerWaalsContact NH1-OE2 3.1Å; R272-E276 WeakPolarHBondContact O-CB 3.38Å; R272-E276 VanDerWaalsContact O-CG 3.23Å; R272-E276 WeakPolarHBondContact O-CG 3.4Å; R272-E276 PolarHBondContact O-N 2.95Å
273R97.9Very high97Very high53 Ų5336.4 Ų36.420%0.221%0.205CC..Hα-helixtrans-69.7-40.2-177.8-63.6164-69.3176.62.2111.4L257 T260 E265 L267 D271 E276 I277L257-R273 HydrophobicContact CD1-CB 3.92Å; L257-R273 HydrophobicContact CD1-CG 4.11Å; T260-R273 VanDerWaalsContact CG2-NH1 3.32Å; E265-R273 IonicContact OE2-NH1 3.8Å; L267-R273 HydrophobicContact CD1-CB 3.96Å; L267-R273 HydrophobicContact CD2-CB 4.43Å; L267-R273 VanDerWaalsContact CD2-CZ 3.44Å; D271-R273 PolarHBondContact O-N 3.33Å; D271-R273 VanDerWaalsContact O-N 3.17Å; D271-R273 VanDerWaalsContact OD1-CB 3.28Å; D271-R273 WeakPolarHBondContact OD1-CB 3.33Å; D271-R273 IonicContact OD1-CZ 2.74Å; D271-R273 PolarHBondContact OD1-N 3.5Å; D271-R273 IonicContact OD1-NE 3.77Å; D271-R273 PolarHBondContact OD1-NE 3.03Å; D271-R273 IonicContact OD1-NH2 2.73Å; D271-R273 IonicContact OD2-CZ 3.1Å; D271-R273 IonicContact OD2-NE 3.73Å; D271-R273 IonicContact OD2-NH2 3.97Å; D271-R273 PolarHBondContact OD2-NH2 3.04Å; R273-E276 PolarHBondContact O-N 3.1Å; R273-I277 VanDerWaalsContact O-CG1 3.24Å; R273-I277 WeakPolarHBondContact O-CG1 3.4Å; R273-I277 PolarHBondContact O-N 2.96Å
274E97.8Very high97.2Very high2 Ų231.3 Ų31.31%0.00918%0.178CC..Hα-helixtrans-62.4-48.1175176.3-94.3165.400111L267 G270 D271 E276 I277 R278 T334L267-E274 HydrophobicContact CB-CB 4.07Å; L267-E274 HydrophobicContact CD1-CB 4.26Å; G270-E274 PolarHBondContact N-OE2 3.18Å; D271-E274 HydrophobicContact CB-CB 4.26Å; D271-E274 PolarHBondContact O-N 3.19Å; D271-E274 VanDerWaalsContact O-N 3.1Å; E274-E276 PolarHBondContact O-N 3.08Å; E274-I277 PolarHBondContact O-N 2.76Å; E274-R278 WeakPolarHBondContact O-CG 3.47Å; E274-R278 PolarHBondContact O-N 2.87Å; E274-R278 WeakPolarHBondContact OE1-CD 3.45Å; E274-R278 IonicContact OE1-CZ 3.68Å; E274-R278 IonicContact OE1-NE 2.96Å; E274-R278 IonicContact OE1-NH1 3.82Å; E274-R278 PolarHBondContact OE1-NH1 3.39Å; E274-T334 HydrophobicContact CG-CG2 3.97Å; E274-T334 WeakPolarHBondContact CG-OG1 3.39Å
275V98.4Very high97.5Very high0 Ų029.4 Ų29.40%016%0.158CC..Hα-helixtrans-61.1-43.7175.7170.10000111.7V14 A195 Y197 I202 D271 R278 G279V14-V275 HydrophobicContact CG1-CG1 4.5Å; V14-V275 HydrophobicContact CG2-CG1 3.81Å; A195-V275 HydrophobicContact CB-CG2 3.88Å; Y197-V275 HydrophobicContact CD2-CB 4.11Å; Y197-V275 HydrophobicContact CD2-CG1 3.56Å; Y197-V275 HydrophobicContact CE2-CG1 4.2Å; Y197-V275 HydrophobicContact CG-CG1 3.81Å; I202-V275 HydrophobicContact CD1-CG1 3.39Å; D271-V275 WeakPolarHBondContact O-CG2 3.36Å; D271-V275 PolarHBondContact O-N 3.16Å; V275-R278 PolarHBondContact O-N 2.93Å; V275-G279 PolarHBondContact O-N 3.37Å
276E98.7Very high97.8Very high0 Ų026.1 Ų26.10%014%0.143CC..Hα-helixtrans-60.4-46.4176.8-78.5176.2-157.200111.1V14 S18 Q19 D20 V21 Y197 R272 R273 E274 R278 C280V14-E276 HydrophobicContact CG1-CG 4.3Å; S18-E276 PolarHBondContact OG-OE2 2.62Å; Q19-E276 PolarHBondContact N-OE1 3.46Å; Q19-E276 PolarHBondContact N-OE2 3.21Å; D20-E276 WeakPolarHBondContact CB-OE2 3.24Å; D20-E276 PolarHBondContact N-OE2 2.73Å; V21-E276 HydrophobicContact CB-CB 4.23Å; V21-E276 HydrophobicContact CG2-CB 3.89Å; Y197-E276 HydrophobicContact CE2-CG 3.83Å; Y197-E276 VanDerWaalsContact OH-CG 3.31Å; Y197-E276 WeakPolarHBondContact OH-CG 3.46Å; Y197-E276 PolarHBondContact OH-OE1 3.17Å; R272-E276 WeakPolarHBondContact CD-OE1 3.21Å; R272-E276 HydrophobicContact CG-CG 4.49Å; R272-E276 VanDerWaalsContact CG-OE1 3.24Å; R272-E276 WeakPolarHBondContact CG-OE1 3.15Å; R272-E276 IonicContact CZ-OE1 3.87Å; R272-E276 IonicContact NE-OE1 2.72Å; R272-E276 IonicContact NH1-OE1 2.7Å; R272-E276 PolarHBondContact NH1-OE1 3.13Å; R272-E276 IonicContact NH1-OE2 3.18Å; R272-E276 PolarHBondContact NH1-OE2 2.88Å; R272-E276 VanDerWaalsContact NH1-OE2 3.1Å; R272-E276 WeakPolarHBondContact O-CB 3.38Å; R272-E276 VanDerWaalsContact O-CG 3.23Å; R272-E276 WeakPolarHBondContact O-CG 3.4Å; R272-E276 PolarHBondContact O-N 2.95Å; R273-E276 PolarHBondContact O-N 3.1Å; E274-E276 PolarHBondContact O-N 3.08Å; E276-R278 PolarHBondContact O-N 3.32Å; E276-C280 WeakPolarHBondContact O-CB 3.47Å; E276-C280 PolarHBondContact O-N 2.78Å; E276-C280 PolarHBondContact O-SG 2.98Å
277I98.6Very high98Very high0 Ų022.7 Ų22.70%012%0.123CC..Hα-helixtrans-58.5-50.2176.9-66.1163.1000110.5V21 P242 Y253 L257 L261 L267 R273 E274 S281 H332V21-I277 HydrophobicContact CG2-CB 4.46Å; V21-I277 HydrophobicContact CG2-CG1 3.73Å; P242-I277 HydrophobicContact CB-CG2 3.71Å; P242-I277 HydrophobicContact CG-CG2 4.04Å; Y253-I277 HydrophobicContact CE1-CG1 4.18Å; Y253-I277 HydrophobicContact CE1-CG2 4.5Å; Y253-I277 WeakPolarHBondContact OH-CG2 3.38Å; L257-I277 HydrophobicContact CD1-CD1 4.38Å; L257-I277 HydrophobicContact CD2-CD1 4.14Å; L257-I277 HydrophobicContact CD2-CG1 4.01Å; L261-I277 HydrophobicContact CD1-CD1 4.49Å; L267-I277 HydrophobicContact CD1-CD1 4.16Å; R273-I277 VanDerWaalsContact O-CG1 3.24Å; R273-I277 WeakPolarHBondContact O-CG1 3.4Å; R273-I277 PolarHBondContact O-N 2.96Å; E274-I277 PolarHBondContact O-N 2.76Å; I277-S281 WeakPolarHBondContact O-CB 3.36Å; I277-S281 PolarHBondContact O-N 3.46Å; I277-S281 VanDerWaalsContact O-N 3.12Å; I277-S281 PolarHBondContact O-OG 3.42Å; I277-H332 HydrophobicContact CD1-CB 3.7Å; I277-H332 WeakPolarHBondContact CG2-CE1 3.17Å
278R98.4Very high98.2Very high1 Ų122.6 Ų22.60%0.00412%0.122CC..Hα-helixtrans-70.9-47.3-174.8-66.4177.879.6-154.5-6112.2D193 L204 A237 E274 V275 E276 S281 I282D193-R278 IonicContact OD1-CZ 3.54Å; D193-R278 IonicContact OD1-NH1 3.01Å; D193-R278 PolarHBondContact OD1-NH1 3.34Å; D193-R278 IonicContact OD1-NH2 2.99Å; D193-R278 IonicContact OD2-CZ 3.63Å; D193-R278 IonicContact OD2-NH1 3.73Å; D193-R278 IonicContact OD2-NH2 3.96Å; D193-R278 PolarHBondContact OD2-NH2 3.05Å; L204-R278 HydrophobicContact CD1-CB 3.88Å; L204-R278 VanDerWaalsContact CD1-CZ 3.43Å; L204-R278 VanDerWaalsContact CD1-NH1 3.29Å; L204-R278 HydrophobicContact CD2-CB 4.47Å; A237-R278 HydrophobicContact CB-CB 3.71Å; A237-R278 HydrophobicContact CB-CG 4.08Å; A237-R278 PolarHBondContact O-NE 3.27Å; A237-R278 PolarHBondContact O-NH2 2.94Å; E274-R278 WeakPolarHBondContact O-CG 3.47Å; E274-R278 PolarHBondContact O-N 2.87Å; E274-R278 WeakPolarHBondContact OE1-CD 3.45Å; E274-R278 IonicContact OE1-CZ 3.68Å; E274-R278 IonicContact OE1-NE 2.96Å; E274-R278 IonicContact OE1-NH1 3.82Å; E274-R278 PolarHBondContact OE1-NH1 3.39Å; V275-R278 PolarHBondContact O-N 2.93Å; E276-R278 PolarHBondContact O-N 3.32Å; R278-S281 WeakPolarHBondContact O-CB 3.47Å; R278-S281 PolarHBondContact O-N 3.29Å; R278-I282 PolarHBondContact O-N 3.44Å
279G98.6Very high98.3Very high0 Ų018.8 Ų18.80%010%0.095CC..Hα-helixtrans-65.8-43-179.700000113.2G11 V275 S281 I282 W283G11-G279 WeakPolarHBondContact CA-O 3.27Å; V275-G279 PolarHBondContact O-N 3.37Å; G279-S281 VanDerWaalsContact C-N 3.28Å; G279-S281 PolarHBondContact O-N 2.93Å; G279-I282 PolarHBondContact O-N 3.2Å; G279-W283 PolarHBondContact O-N 3.38Å; G279-W283 VanDerWaalsContact O-N 3.12Å
280C98.8Very high98.4Very high0 Ų019 Ų190%010%0.1CC..Hα-helixtrans-64.5-34.5173.8-66.80000112.1V15 V21 V23 L251 E276 W283 C284V15-C280 HydrophobicContact CG2-CB 3.94Å; V21-C280 HydrophobicContact CB-CB 4.08Å; V21-C280 HydrophobicContact CG1-CB 3.43Å; V21-C280 VanDerWaalsContact CG1-CB 3.43Å; V21-C280 PolarHBondContact O-SG 3.23Å; V23-C280 HydrophobicContact CG2-CB 4.33Å; L251-C280 HydrophobicContact CD2-CB 4.18Å; E276-C280 WeakPolarHBondContact O-CB 3.47Å; E276-C280 PolarHBondContact O-N 2.78Å; E276-C280 PolarHBondContact O-SG 2.98Å; C280-W283 PolarHBondContact O-N 2.84Å; C280-C284 WeakPolarHBondContact O-CB 2.96Å; C280-C284 PolarHBondContact O-N 2.98Å
281S98.8Very high98.5Very high0 Ų019.6 Ų19.60%09%0.094CC..Hα-helixtrans-64.8-43.1175.5-57.80000112.3P242 L251 I277 R278 G279 C284 V285P242-S281 VanDerWaalsContact CB-OG 3.31Å; P242-S281 WeakPolarHBondContact CB-OG 3.42Å; P242-S281 VanDerWaalsContact CG-OG 3.27Å; P242-S281 WeakPolarHBondContact CG-OG 3.36Å; L251-S281 VanDerWaalsContact CD1-OG 3.31Å; L251-S281 WeakPolarHBondContact CD1-OG 3.46Å; I277-S281 WeakPolarHBondContact O-CB 3.36Å; I277-S281 PolarHBondContact O-N 3.46Å; I277-S281 VanDerWaalsContact O-N 3.12Å; I277-S281 PolarHBondContact O-OG 3.42Å; R278-S281 WeakPolarHBondContact O-CB 3.47Å; R278-S281 PolarHBondContact O-N 3.29Å; G279-S281 VanDerWaalsContact C-N 3.28Å; G279-S281 PolarHBondContact O-N 2.93Å; S281-C284 WeakPolarHBondContact O-CB 3.2Å; S281-C284 PolarHBondContact O-N 3.08Å; S281-V285 PolarHBondContact O-N 2.9Å; S281-V285 VanDerWaalsContact O-N 3.1Å
282I98.8Very high98.6Very high1 Ų117.8 Ų17.81%0.0058%0.084CC..Hα-helixtrans-55-56.1173.6-72.4170.3000110.2L204 T234 M235 A237 R278 G279 C284 V285 E286L204-I282 HydrophobicContact CD2-CD1 3.49Å; L204-I282 VanDerWaalsContact CD2-CD1 3.49Å; T234-I282 HydrophobicContact CG2-CG2 3.76Å; M235-I282 HydrophobicContact CG-CG1 4.24Å; M235-I282 HydrophobicContact SD-CB 4.46Å; M235-I282 HydrophobicContact SD-CG1 3.77Å; A237-I282 HydrophobicContact CB-CD1 4.21Å; A237-I282 HydrophobicContact CB-CG1 4.06Å; R278-I282 PolarHBondContact O-N 3.44Å; G279-I282 PolarHBondContact O-N 3.2Å; I282-C284 VanDerWaalsContact C-N 3.32Å; I282-C284 PolarHBondContact O-N 3.3Å; I282-V285 PolarHBondContact O-N 3.19Å; I282-E286 WeakPolarHBondContact O-CG 3.45Å; I282-E286 PolarHBondContact O-N 3.2Å
283W98.9Very high98.6Very high60 Ų6017.8 Ų17.823%0.2278%0.084CC..Hα-helixtrans-66.7-34.1-176.8-170-112.8000113.1R8 R12 V15 G279 C280 V285 E286 K287R8-W283 HydrophobicContact CG-CZ3 4.22Å; R12-W283 HydrophobicContact CB-CD2 3.92Å; R12-W283 HydrophobicContact CB-CE3 3.61Å; R12-W283 HydrophobicContact CB-CH2 4Å; R12-W283 HydrophobicContact CB-CZ2 4.27Å; R12-W283 HydrophobicContact CB-CZ3 3.66Å; R12-W283 HydrophobicContact CG-CD2 4.33Å; R12-W283 HydrophobicContact CG-CE3 4.3Å; R12-W283 HydrophobicContact CG-CH2 3.89Å; R12-W283 HydrophobicContact CG-CZ2 3.89Å; R12-W283 HydrophobicContact CG-CZ3 4.09Å; V15-W283 HydrophobicContact CB-CG 4.36Å; V15-W283 HydrophobicContact CG2-CB 3.65Å; V15-W283 HydrophobicContact CG2-CG 3.92Å; G279-W283 PolarHBondContact O-N 3.38Å; G279-W283 VanDerWaalsContact O-N 3.12Å; C280-W283 PolarHBondContact O-N 2.84Å; W283-V285 VanDerWaalsContact C-N 3.33Å; W283-V285 PolarHBondContact O-N 3.06Å; W283-E286 HydrophobicContact CE3-CB 4.09Å; W283-E286 HydrophobicContact CE3-CG 4.4Å; W283-E286 HydrophobicContact CZ3-CB 4.37Å; W283-E286 PolarHBondContact O-N 3.1Å; W283-K287 WeakPolarHBondContact O-CG 3.5Å; W283-K287 PolarHBondContact O-N 3.12Å
284C98.9Very high98.6Very high0 Ų017.8 Ų17.80%09%0.092CC..Hα-helixtrans-57.2-46.8174-177.20000111.2V23 L245 L251 C280 S281 I282 K287 I288V23-C284 HydrophobicContact CG1-CB 4.1Å; V23-C284 HydrophobicContact CG2-CB 4.13Å; L245-C284 HydrophobicContact CD1-CB 4.3Å; L251-C284 HydrophobicContact CD2-CB 3.78Å; L251-C284 HydrophobicContact CG-CB 4.17Å; C280-C284 WeakPolarHBondContact O-CB 2.96Å; C280-C284 PolarHBondContact O-N 2.98Å; S281-C284 WeakPolarHBondContact O-CB 3.2Å; S281-C284 PolarHBondContact O-N 3.08Å; I282-C284 VanDerWaalsContact C-N 3.32Å; I282-C284 PolarHBondContact O-N 3.3Å; C284-K287 PolarHBondContact O-N 2.95Å; C284-I288 VanDerWaalsContact O-CG1 3.32Å; C284-I288 WeakPolarHBondContact O-CG1 3.26Å; C284-I288 PolarHBondContact O-N 3.04Å
285V98.8Very high98.6Very high0 Ų018.8 Ų18.80%010%0.097CC..Hα-helixtrans-69.7-36.7177.9177.30000111.9M235 L245 S281 I282 W283 K287 I288 K289 I311 L315M235-V285 HydrophobicContact CB-CB 3.87Å; M235-V285 HydrophobicContact CB-CG1 3.95Å; M235-V285 HydrophobicContact CB-CG2 3.81Å; M235-V285 HydrophobicContact CE-CG2 4.49Å; M235-V285 HydrophobicContact CG-CB 3.71Å; M235-V285 HydrophobicContact CG-CG1 4.35Å; M235-V285 HydrophobicContact CG-CG2 3.63Å; L245-V285 HydrophobicContact CD1-CG2 4.03Å; L245-V285 HydrophobicContact CD2-CG2 4.31Å; S281-V285 PolarHBondContact O-N 2.9Å; S281-V285 VanDerWaalsContact O-N 3.1Å; I282-V285 PolarHBondContact O-N 3.19Å; W283-V285 VanDerWaalsContact C-N 3.33Å; W283-V285 PolarHBondContact O-N 3.06Å; V285-K287 VanDerWaalsContact C-N 3.26Å; V285-K287 PolarHBondContact O-N 3.06Å; V285-I288 PolarHBondContact O-N 3.06Å; V285-I288 VanDerWaalsContact O-N 3.15Å; V285-K289 WeakPolarHBondContact O-CB 3.42Å; V285-K289 PolarHBondContact O-N 3.48Å; V285-I311 HydrophobicContact CG1-CB 4.02Å; V285-I311 HydrophobicContact CG1-CD1 4.21Å; V285-I311 HydrophobicContact CG1-CG2 3.74Å; V285-L315 HydrophobicContact CG2-CD1 3.99Å
286E98.8Very high98.6Very high14 Ų1419.1 Ų19.17%0.06510%0.099CC..Hα-helixtrans-59.4-38.9172.5-66.3-6013300111.9R8 I282 W283 K289 A290 S308R8-E286 HydrophobicContact CG-CG 4.26Å; R8-E286 IonicContact CZ-OE2 3.67Å; R8-E286 VanDerWaalsContact CZ-OE2 3.3Å; R8-E286 IonicContact NE-OE1 3.1Å; R8-E286 IonicContact NE-OE2 3.3Å; R8-E286 PolarHBondContact NE-OE2 3.1Å; R8-E286 IonicContact NH2-OE1 3.3Å; R8-E286 PolarHBondContact NH2-OE1 3.12Å; R8-E286 IonicContact NH2-OE2 3.72Å; R8-E286 PolarHBondContact NH2-OE2 3.19Å; I282-E286 WeakPolarHBondContact O-CG 3.45Å; I282-E286 PolarHBondContact O-N 3.2Å; W283-E286 HydrophobicContact CE3-CB 4.09Å; W283-E286 HydrophobicContact CE3-CG 4.4Å; W283-E286 HydrophobicContact CZ3-CB 4.37Å; W283-E286 PolarHBondContact O-N 3.1Å; E286-K289 PolarHBondContact O-N 3.07Å; E286-K289 IonicContact OE1-NZ 2.62Å; E286-K289 WeakPolarHBondContact OE2-CE 3.31Å; E286-K289 IonicContact OE2-NZ 2.68Å; E286-K289 PolarHBondContact OE2-NZ 3.31Å; E286-A290 PolarHBondContact O-N 2.87Å; E286-S308 WeakPolarHBondContact OE1-CB 3.05Å; E286-S308 PolarHBondContact OE1-OG 3.34Å
287K98.8Very high98.6Very high47 Ų4725.5 Ų25.520%0.20413%0.129CC..Hα-helixtrans-68.2-40.8173.5-72.7-167.393.3-50.40112.8V23 E25 V28 W283 C284 V285 K289 A290 H291V23-K287 HydrophobicContact CG1-CD 4.04Å; E25-K287 IonicContact OE1-NZ 3.83Å; E25-K287 PolarHBondContact OE1-NZ 3.46Å; E25-K287 WeakPolarHBondContact OE2-CE 3.31Å; E25-K287 IonicContact OE2-NZ 3.45Å; E25-K287 PolarHBondContact OE2-NZ 3.16Å; V28-K287 HydrophobicContact CG1-CB 3.8Å; V28-K287 HydrophobicContact CG2-CB 4.49Å; W283-K287 WeakPolarHBondContact O-CG 3.5Å; W283-K287 PolarHBondContact O-N 3.12Å; C284-K287 PolarHBondContact O-N 2.95Å; V285-K287 VanDerWaalsContact C-N 3.26Å; V285-K287 PolarHBondContact O-N 3.06Å; K287-K289 VanDerWaalsContact C-N 3.33Å; K287-A290 PolarHBondContact O-N 3.36Å; K287-H291 PolarHBondContact O-CD2 3.13Å; K287-H291 VanDerWaalsContact O-CD2 3.24Å; K287-H291 PolarHBondContact O-N 2.96Å
288I98.9Very high98.5Very high0 Ų031.2 Ų31.20%016%0.16CC..Hα-helixtrans-59.8-46.6174.8-70.8162.1000109.7V28 V31 A32 L35 L245 A250 C284 V285 A290 H291 L292 I311V28-I288 HydrophobicContact CB-CG1 4.29Å; V28-I288 HydrophobicContact CG1-CG1 3.93Å; V28-I288 HydrophobicContact CG2-CG1 4.32Å; V31-I288 HydrophobicContact CB-CD1 4.06Å; V31-I288 HydrophobicContact CB-CG1 4.23Å; V31-I288 HydrophobicContact CG1-CD1 3.75Å; V31-I288 HydrophobicContact CG1-CG1 4.21Å; V31-I288 HydrophobicContact CG1-CG2 3.95Å; A32-I288 HydrophobicContact CB-CG2 4.4Å; L35-I288 HydrophobicContact CD1-CG2 3.56Å; L245-I288 HydrophobicContact CD2-CD1 3.79Å; A250-I288 HydrophobicContact CB-CD1 4.42Å; C284-I288 VanDerWaalsContact O-CG1 3.32Å; C284-I288 WeakPolarHBondContact O-CG1 3.26Å; C284-I288 PolarHBondContact O-N 3.04Å; V285-I288 PolarHBondContact O-N 3.06Å; V285-I288 VanDerWaalsContact O-N 3.15Å; I288-A290 PolarHBondContact O-N 2.91Å; I288-H291 PolarHBondContact O-N 3.38Å; I288-L292 WeakPolarHBondContact O-CB 3.49Å; I288-L292 PolarHBondContact O-N 3.35Å; I288-I311 HydrophobicContact CG2-CD1 4.44Å
289K98.7Very high98.5Very high8 Ų837.3 Ų37.34%0.03518%0.183CC..Hα-helixtrans-56.6-50.1176.2-177.1-177.767.4177.60111.5D231 V285 E286 K287 H291 L292 W293 I311D231-K289 IonicContact OD1-NZ 3.57Å; D231-K289 PolarHBondContact OD1-NZ 3.3Å; D231-K289 IonicContact OD2-NZ 3.04Å; D231-K289 PolarHBondContact OD2-NZ 3.49Å; D231-K289 VanDerWaalsContact OD2-NZ 3.1Å; V285-K289 WeakPolarHBondContact O-CB 3.42Å; V285-K289 PolarHBondContact O-N 3.48Å; E286-K289 PolarHBondContact O-N 3.07Å; E286-K289 IonicContact OE1-NZ 2.62Å; E286-K289 WeakPolarHBondContact OE2-CE 3.31Å; E286-K289 IonicContact OE2-NZ 2.68Å; E286-K289 PolarHBondContact OE2-NZ 3.31Å; K287-K289 VanDerWaalsContact C-N 3.33Å; K289-H291 PolarHBondContact O-N 3.49Å; K289-L292 WeakPolarHBondContact O-CB 3.3Å; K289-L292 PolarHBondContact O-N 3.37Å; K289-W293 HydrophobicContact CD-CH2 4.25Å; K289-W293 HydrophobicContact CD-CZ2 3.66Å; K289-W293 HydrophobicContact CG-CD2 4.25Å; K289-W293 HydrophobicContact CG-CZ2 3.92Å; K289-W293 VanDerWaalsContact O-CD1 3.26Å; K289-W293 PolarHBondContact O-N 3.48Å; K289-I311 HydrophobicContact CB-CD1 3.76Å; K289-I311 HydrophobicContact CG-CD1 4.27Å
290A98.5Very high98.4Very high59 Ų5939.4 Ų39.449%0.48819%0.194SC..Hα-helixtrans-59.8-43.7179.700000112.4E286 K287 I288 W293 S294E286-A290 PolarHBondContact O-N 2.87Å; K287-A290 PolarHBondContact O-N 3.36Å; I288-A290 PolarHBondContact O-N 2.91Å; A290-W293 PolarHBondContact O-N 3.34Å; A290-S294 PolarHBondContact O-N 3.44Å; A290-S294 VanDerWaalsContact O-N 3.09Å
291H98.7Very high98.3Very high46 Ų4642.6 Ų42.621%0.21323%0.227CC..Hα-helixtrans-65.3-42.6175-81.9-66.5000112.3E25 A32 K287 I288 K289 W293 S294 L295E25-H291 IonicContact OE1-CD2 3.32Å; E25-H291 IonicContact OE1-CE1 3.3Å; E25-H291 PolarHBondContact OE1-CE1 2.83Å; E25-H291 IonicContact OE1-NE2 2.73Å; E25-H291 PolarHBondContact OE1-NE2 3.28Å; A32-H291 HydrophobicContact CB-CB 3.56Å; K287-H291 PolarHBondContact O-CD2 3.13Å; K287-H291 VanDerWaalsContact O-CD2 3.24Å; K287-H291 PolarHBondContact O-N 2.96Å; I288-H291 PolarHBondContact O-N 3.38Å; K289-H291 PolarHBondContact O-N 3.49Å; H291-W293 VanDerWaalsContact C-N 3.31Å; H291-W293 PolarHBondContact O-N 2.87Å; H291-S294 PolarHBondContact O-N 3.27Å; H291-L295 VanDerWaalsContact O-CG 3.29Å; H291-L295 WeakPolarHBondContact O-CG 3.35Å; H291-L295 PolarHBondContact O-N 2.96Å
292L98.6Very high98.1Very high0 Ų048.2 Ų48.20%025%0.253CS..Hα-helixtrans-58.5-44.7175.7173.361000111.2A32 L35 I288 K289 L295 V296 I306A32-L292 HydrophobicContact CB-CB 4.42Å; L35-L292 HydrophobicContact CB-CD1 4.26Å; L35-L292 HydrophobicContact CB-CD2 4.1Å; L35-L292 HydrophobicContact CD1-CD2 4.47Å; I288-L292 WeakPolarHBondContact O-CB 3.49Å; I288-L292 PolarHBondContact O-N 3.35Å; K289-L292 WeakPolarHBondContact O-CB 3.3Å; K289-L292 PolarHBondContact O-N 3.37Å; L292-L295 PolarHBondContact O-N 3.46Å; L292-V296 HydrophobicContact CD1-CG2 4.28Å; L292-V296 WeakPolarHBondContact O-CG2 3.41Å; L292-V296 PolarHBondContact O-N 3.07Å; L292-I306 HydrophobicContact CD2-CB 3.99Å; L292-I306 HydrophobicContact CD2-CD1 4.1Å; L292-I306 HydrophobicContact CD2-CG2 3.74Å
293W98.2Very high97.8Very high83 Ų8353.8 Ų53.831%0.31429%0.292SS..Hα-helixtrans-62.4-45.8178.4-71.110.5000111.8K289 A290 H291 L295 V296 E297 C304 I306K289-W293 HydrophobicContact CD-CH2 4.25Å; K289-W293 HydrophobicContact CD-CZ2 3.66Å; K289-W293 HydrophobicContact CG-CD2 4.25Å; K289-W293 HydrophobicContact CG-CZ2 3.92Å; K289-W293 VanDerWaalsContact O-CD1 3.26Å; K289-W293 PolarHBondContact O-N 3.48Å; A290-W293 PolarHBondContact O-N 3.34Å; H291-W293 VanDerWaalsContact C-N 3.31Å; H291-W293 PolarHBondContact O-N 2.87Å; W293-L295 VanDerWaalsContact C-N 3.33Å; W293-L295 PolarHBondContact O-N 3.05Å; W293-V296 PolarHBondContact O-N 3.14Å; W293-E297 PolarHBondContact O-N 3.28Å; W293-C304 HydrophobicContact CB-CB 4.22Å; W293-C304 VanDerWaalsContact CD1-CB 3.43Å; W293-C304 HydrophobicContact CG-CB 3.85Å; W293-I306 PolarHBondContact NE1-O 2.79Å
294S98.4Very high97.5Very high52 Ų5252 Ų5236%0.36429%0.289SS..Hα-helixtrans-57.6-45.6173.9-167.60000111.3A290 H291 V296 E297 D298A290-S294 PolarHBondContact O-N 3.44Å; A290-S294 VanDerWaalsContact O-N 3.09Å; H291-S294 PolarHBondContact O-N 3.27Å; S294-V296 VanDerWaalsContact C-N 3.31Å; S294-V296 PolarHBondContact O-N 3.33Å; S294-E297 PolarHBondContact O-N 3.37Å; S294-D298 VanDerWaalsContact O-CB 3.26Å; S294-D298 WeakPolarHBondContact O-CB 3.26Å; S294-D298 PolarHBondContact O-N 2.81Å; S294-D298 VanDerWaalsContact O-OD2 3.09Å; S294-D298 PolarHBondContact OG-OD2 3.17Å
295L98.4Very high97.2Very high23 Ų2358.4 Ų58.412%0.1232%0.323CS..Hα-helixtrans-60.2-39.6178.6-71.6173.2000112.6A32 E33 Y36 H291 L292 W293 R299A32-L295 HydrophobicContact CB-CD1 4.15Å; E33-L295 HydrophobicContact CG-CD1 4.09Å; Y36-L295 HydrophobicContact CD2-CB 3.74Å; Y36-L295 HydrophobicContact CE2-CB 4.31Å; Y36-L295 WeakPolarHBondContact CE2-O 3.32Å; Y36-L295 HydrophobicContact CG-CB 4.19Å; Y36-L295 HydrophobicContact CG-CD1 4.49Å; H291-L295 VanDerWaalsContact O-CG 3.29Å; H291-L295 WeakPolarHBondContact O-CG 3.35Å; H291-L295 PolarHBondContact O-N 2.96Å; L292-L295 PolarHBondContact O-N 3.46Å; W293-L295 VanDerWaalsContact C-N 3.33Å; W293-L295 PolarHBondContact O-N 3.05Å; L295-R299 WeakPolarHBondContact O-CB 3.09Å; L295-R299 WeakPolarHBondContact O-CG 3.16Å; L295-R299 PolarHBondContact O-N 3.23Å; L295-R299 VanDerWaalsContact O-N 3.07Å
296V98.1Very high97Very high7 Ų758.7 Ų58.74%0.04232%0.324CS..Hα-helixtrans-69.8-43.3176.9177.10000111.3Y36 L292 W293 S294 D300 G301 Q302 C304Y36-V296 HydrophobicContact CD2-CG2 3.79Å; Y36-V296 HydrophobicContact CE2-CG2 4.05Å; L292-V296 HydrophobicContact CD1-CG2 4.28Å; L292-V296 WeakPolarHBondContact O-CG2 3.41Å; L292-V296 PolarHBondContact O-N 3.07Å; W293-V296 PolarHBondContact O-N 3.14Å; S294-V296 VanDerWaalsContact C-N 3.31Å; S294-V296 PolarHBondContact O-N 3.33Å; V296-D300 HydrophobicContact CG1-CB 4.36Å; V296-D300 WeakPolarHBondContact O-CA 3Å; V296-D300 VanDerWaalsContact O-CB 3.26Å; V296-D300 WeakPolarHBondContact O-CB 3.28Å; V296-D300 PolarHBondContact O-N 2.94Å; V296-G301 PolarHBondContact O-N 3.29Å; V296-Q302 HydrophobicContact CG1-CB 4.29Å; V296-C304 HydrophobicContact CB-CB 3.94Å; V296-C304 HydrophobicContact CG1-CB 4.04Å; V296-C304 HydrophobicContact CG2-CB 4.17Å
297E97.7Very high96.9Very high134 Ų13458.4 Ų58.463%0.62632%0.323SS*.Hα-helixtrans-62.7-49.9176.6-174171.1-169.500111.3W293 S294 R299 G301 Q302W293-E297 PolarHBondContact O-N 3.28Å; S294-E297 PolarHBondContact O-N 3.37Å; E297-R299 PolarHBondContact O-N 3.47Å; E297-G301 WeakPolarHBondContact O-CA 3.44Å; E297-G301 PolarHBondContact O-N 2.87Å; E297-Q302 WeakPolarHBondContact CA-O 3.39Å
298D97.6Very high96.8Very high121 Ų12156.1 Ų56.165%0.64731%0.313SS*.Hα-helixtrans-67.7-37.6-175.4-68.4-33.5000113.1S294S294-D298 VanDerWaalsContact O-CB 3.26Å; S294-D298 WeakPolarHBondContact O-CB 3.26Å; S294-D298 PolarHBondContact O-N 2.81Å; S294-D298 VanDerWaalsContact O-OD2 3.09Å; S294-D298 PolarHBondContact OG-OD2 3.17Å
299R97.8Very high96.7Very high129 Ų12956.1 Ų56.149%0.48731%0.313SS..Hα-helixtrans-100.8-33.6-172.4-59.9-179.3178.4172.93.3114E33 Y36 L295 E297E33-R299 IonicContact OE1-CZ 2.8Å; E33-R299 IonicContact OE1-NH1 2.73Å; E33-R299 PolarHBondContact OE1-NH1 3.08Å; E33-R299 IonicContact OE1-NH2 3.88Å; E33-R299 PolarHBondContact OE1-NH2 2.89Å; E33-R299 IonicContact OE2-CZ 3.1Å; E33-R299 IonicContact OE2-NH1 2.71Å; E33-R299 PolarHBondContact OE2-NH1 3.41Å; E33-R299 IonicContact OE2-NH2 3.21Å; Y36-R299 HydrophobicContact CE2-CB 4.26Å; Y36-R299 VanDerWaalsContact OH-CB 3.23Å; Y36-R299 WeakPolarHBondContact OH-CB 3.39Å; L295-R299 WeakPolarHBondContact O-CB 3.09Å; L295-R299 WeakPolarHBondContact O-CG 3.16Å; L295-R299 PolarHBondContact O-N 3.23Å; L295-R299 VanDerWaalsContact O-N 3.07Å; E297-R299 PolarHBondContact O-N 3.47Å
300D96.9Very high96.6Very high43 Ų4356.2 Ų56.223%0.2331%0.314CS..Hα-helixtrans-105.2-15.6-177.4-60.70.3000112.2Y36 R39 V296 Q302Y36-D300 PolarHBondContact OH-OD1 3.15Å; R39-D300 IonicContact CZ-OD1 3.76Å; R39-D300 IonicContact CZ-OD2 3.85Å; R39-D300 IonicContact NE-OD1 3.71Å; R39-D300 IonicContact NE-OD2 3.42Å; R39-D300 PolarHBondContact NE-OD2 3.11Å; R39-D300 VanDerWaalsContact NH2-CG 3.33Å; R39-D300 IonicContact NH2-OD1 3.53Å; R39-D300 PolarHBondContact NH2-OD1 3.47Å; R39-D300 IonicContact NH2-OD2 3.99Å; R39-D300 PolarHBondContact NH2-OD2 3.32Å; V296-D300 HydrophobicContact CG1-CB 4.36Å; V296-D300 WeakPolarHBondContact O-CA 3Å; V296-D300 VanDerWaalsContact O-CB 3.26Å; V296-D300 WeakPolarHBondContact O-CB 3.28Å; V296-D300 PolarHBondContact O-N 2.94Å; D300-Q302 VanDerWaalsContact C-N 3.26Å; D300-Q302 HydrophobicContact CB-CB 4.43Å; D300-Q302 HydrophobicContact CB-CG 4.45Å; D300-Q302 PolarHBondContact O-N 3.4Å
301G96.4Very high96.5Very high67 Ų6753.4 Ų53.469%0.69129%0.291SS*.  trans66.827.8-176.400000113V296 E297V296-G301 PolarHBondContact O-N 3.29Å; E297-G301 WeakPolarHBondContact O-CA 3.44Å; E297-G301 PolarHBondContact O-N 2.87Å
302Q94.3Very high96.4Very high118 Ų11851.5 Ų51.555%0.55128%0.282SS*.SBendtrans-125.9153.5-173.8-67.9-179.9-4.100111.1V296 E297 D300V296-Q302 HydrophobicContact CG1-CB 4.29Å; E297-Q302 WeakPolarHBondContact CA-O 3.39Å; D300-Q302 VanDerWaalsContact C-N 3.26Å; D300-Q302 HydrophobicContact CB-CB 4.43Å; D300-Q302 HydrophobicContact CB-CG 4.45Å; D300-Q302 PolarHBondContact O-N 3.4Å
303S92.8Very high96.1Very high118 Ų11852.2 Ų52.283%0.82529%0.285SS*.  trans-71.3144.2166.154.80000110.4
304C93.5Very high96Very high24 Ų2450 Ų5016%0.16228%0.277CS..  trans-102.4133.4174.8-1680000110W293 V296W293-C304 HydrophobicContact CB-CB 4.22Å; W293-C304 VanDerWaalsContact CD1-CB 3.43Å; W293-C304 HydrophobicContact CG-CB 3.85Å; V296-C304 HydrophobicContact CB-CB 3.94Å; V296-C304 HydrophobicContact CG1-CB 4.04Å; V296-C304 HydrophobicContact CG2-CB 4.17Å
305N90.9Very high95.8Very high133 Ų13347.5 Ų47.571%0.71126%0.26SS*.  trans-109.28.317765-17.2000112.9N307N305-N307 PolarHBondContact O-N 3.04Å; N305-N307 VanDerWaalsContact O-N 3.09Å
306I95.5Very high95.6Very high6 Ų649 Ų493%0.03126%0.264CS..  trans-75.499.4178-61.1170.8000108.2R39 L44 L292 W293 I310 I311R39-I306 HydrophobicContact CB-CD1 3.82Å; L44-I306 HydrophobicContact CB-CD1 4.13Å; L44-I306 HydrophobicContact CD1-CD1 4.22Å; L292-I306 HydrophobicContact CD2-CB 3.99Å; L292-I306 HydrophobicContact CD2-CD1 4.1Å; L292-I306 HydrophobicContact CD2-CG2 3.74Å; W293-I306 PolarHBondContact NE1-O 2.79Å; I306-I310 HydrophobicContact CG2-CB 4.2Å; I306-I310 HydrophobicContact CG2-CG2 3.88Å; I306-I311 HydrophobicContact CG2-CD1 4.45Å; I306-I311 HydrophobicContact CG2-CG1 3.86Å
307N96.2Very high95.3Very high8 Ų850 Ų504%0.04327%0.271CS..  trans-86.5176.2178.566.535.9000112.1N305 A309 I310 I311N305-N307 PolarHBondContact O-N 3.04Å; N305-N307 VanDerWaalsContact O-N 3.09Å; N307-A309 VanDerWaalsContact C-N 3.29Å; N307-A309 PolarHBondContact O-N 2.97Å; N307-A309 WeakPolarHBondContact OD1-CB 3.03Å; N307-A309 PolarHBondContact OD1-N 2.71Å; N307-I310 PolarHBondContact O-N 2.94Å; N307-I310 PolarHBondContact OD1-N 2.69Å; N307-I311 WeakPolarHBondContact O-CG1 3.33Å; N307-I311 PolarHBondContact O-N 3.06Å; N307-I311 VanDerWaalsContact O-N 3.1Å
308S97.7Very high95.1Very high0 Ų044.9 Ų44.90%025%0.246CC..Hα-helixtrans-66.1-28.1-177.3-55.30000113.6L233 E286 I311 D312L233-S308 WeakPolarHBondContact O-CB 3.36Å; E286-S308 WeakPolarHBondContact OE1-CB 3.05Å; E286-S308 PolarHBondContact OE1-OG 3.34Å; S308-I311 PolarHBondContact O-N 2.94Å; S308-D312 WeakPolarHBondContact O-CB 3.48Å; S308-D312 PolarHBondContact O-N 2.89Å
309A96Very high94.9Very high0 Ų039.1 Ų39.10%022%0.215CC..Hα-helixtrans-68-41.6174.600000111.5A213 L233 F236 N307 I311 D312 F313A213-A309 HydrophobicContact CB-CB 4.39Å; L233-A309 HydrophobicContact CB-CB 4.29Å; L233-A309 HydrophobicContact CD1-CB 4.35Å; F236-A309 HydrophobicContact CZ-CB 3.86Å; N307-A309 VanDerWaalsContact C-N 3.29Å; N307-A309 PolarHBondContact O-N 2.97Å; N307-A309 WeakPolarHBondContact OD1-CB 3.03Å; N307-A309 PolarHBondContact OD1-N 2.71Å; A309-I311 VanDerWaalsContact C-N 3.33Å; A309-I311 PolarHBondContact O-N 3.42Å; A309-D312 WeakPolarHBondContact O-CB 3.48Å; A309-D312 PolarHBondContact O-N 3.42Å; A309-F313 WeakPolarHBondContact O-CG 3.44Å; A309-F313 PolarHBondContact O-N 3.16Å
310I95.8Very high94.5Very high9 Ų938.1 Ų38.15%0.04621%0.214CC..Hα-helixtrans-63.1-41.7173.2-67164.3000110.7L44 W216 I306 N307 D312 F313 Y314L44-I310 HydrophobicContact CB-CG2 4.09Å; L44-I310 HydrophobicContact CD2-CG2 4.21Å; L44-I310 WeakPolarHBondContact O-CG2 3.41Å; W216-I310 HydrophobicContact CH2-CD1 3.87Å; W216-I310 HydrophobicContact CH2-CG1 3.73Å; W216-I310 HydrophobicContact CZ3-CG1 4.06Å; I306-I310 HydrophobicContact CG2-CB 4.2Å; I306-I310 HydrophobicContact CG2-CG2 3.88Å; N307-I310 PolarHBondContact O-N 2.94Å; N307-I310 PolarHBondContact OD1-N 2.69Å; I310-D312 VanDerWaalsContact C-N 3.28Å; I310-D312 PolarHBondContact O-N 2.9Å; I310-F313 PolarHBondContact O-N 2.69Å; I310-Y314 PolarHBondContact O-N 3.17Å
311I97.2Very high94.2Very high0 Ų043.1 Ų43.10%024%0.236CC..Hα-helixtrans-62.3-39.9176.7-63170.3000110.4L35 V285 I288 K289 I306 N307 S308 A309 Y314 L315L35-I311 HydrophobicContact CD1-CD1 4.3Å; L35-I311 HydrophobicContact CD1-CG1 4.08Å; L35-I311 HydrophobicContact CD1-CG2 3.86Å; V285-I311 HydrophobicContact CG1-CB 4.02Å; V285-I311 HydrophobicContact CG1-CD1 4.21Å; V285-I311 HydrophobicContact CG1-CG2 3.74Å; I288-I311 HydrophobicContact CG2-CD1 4.44Å; K289-I311 HydrophobicContact CB-CD1 3.76Å; K289-I311 HydrophobicContact CG-CD1 4.27Å; I306-I311 HydrophobicContact CG2-CD1 4.45Å; I306-I311 HydrophobicContact CG2-CG1 3.86Å; N307-I311 WeakPolarHBondContact O-CG1 3.33Å; N307-I311 PolarHBondContact O-N 3.06Å; N307-I311 VanDerWaalsContact O-N 3.1Å; S308-I311 PolarHBondContact O-N 2.94Å; A309-I311 VanDerWaalsContact C-N 3.33Å; A309-I311 PolarHBondContact O-N 3.42Å; I311-Y314 WeakPolarHBondContact O-CB 3.25Å; I311-Y314 PolarHBondContact O-N 3.2Å; I311-L315 HydrophobicContact CG2-CD1 3.73Å; I311-L315 HydrophobicContact CG2-CG 4.06Å; I311-L315 WeakPolarHBondContact O-CG 3.43Å; I311-L315 PolarHBondContact O-N 3.17Å
312D95.9Very high94.1Very high7 Ų742.1 Ų42.14%0.03721%0.213CC..Hα-helixtrans-63.8-44.4175.3-163.196.9000112.3M235 F236 S308 A309 I310 Y314 L315 W316M235-D312 HydrophobicContact CB-CB 4.24Å; M235-D312 WeakPolarHBondContact CB-OD1 3.36Å; F236-D312 HydrophobicContact CD2-CB 4.07Å; F236-D312 WeakPolarHBondContact CD2-OD2 3.38Å; F236-D312 HydrophobicContact CE2-CB 4.19Å; F236-D312 PolarHBondContact N-OD1 3.32Å; S308-D312 WeakPolarHBondContact O-CB 3.48Å; S308-D312 PolarHBondContact O-N 2.89Å; A309-D312 WeakPolarHBondContact O-CB 3.48Å; A309-D312 PolarHBondContact O-N 3.42Å; I310-D312 VanDerWaalsContact C-N 3.28Å; I310-D312 PolarHBondContact O-N 2.9Å; D312-Y314 PolarHBondContact O-N 3.25Å; D312-L315 PolarHBondContact O-N 3.48Å; D312-L315 VanDerWaalsContact O-N 3.07Å; D312-W316 WeakPolarHBondContact O-CB 3.33Å; D312-W316 PolarHBondContact O-N 3.47Å
313F93.5Very high94Very high15 Ų1540.8 Ų40.87%0.06621%0.207CC..Hα-helixtrans-56.9-22.3173.4-68.8-16.5000113.6W49 A213 W216 F236 A309 I310 P317W49-F313 HydrophobicContact CB-CE2 4.21Å; W49-F313 HydrophobicContact CB-CZ 4.31Å; A213-F313 HydrophobicContact CB-CE1 4.36Å; A213-F313 HydrophobicContact CB-CZ 3.88Å; W216-F313 HydrophobicContact CE3-CE2 4.43Å; W216-F313 HydrophobicContact CZ3-CE2 4.11Å; F236-F313 HydrophobicContact CE2-CD1 4.32Å; F236-F313 AromaticContact CE2-CE1 3.9Å; F236-F313 HydrophobicContact CE2-CE1 3.9Å; A309-F313 WeakPolarHBondContact O-CG 3.44Å; A309-F313 PolarHBondContact O-N 3.16Å; I310-F313 PolarHBondContact O-N 2.69Å; F313-P317 WeakPolarHBondContact O-CD 3.4Å; F313-P317 WeakPolarHBondContact O-CG 3.42Å
314Y94.8Very high93.9Very high35 Ų3543 Ų4314%0.13720%0.202CC..Hα-helixtrans-87.9-49.3170.1174.5-92.6000112.8M34 L35 L38 D43 L44 I310 I311 D312 W316 P317 Y318M34-Y314 HydrophobicContact CE-CE1 3.7Å; L35-Y314 HydrophobicContact CD2-CD1 3.58Å; L35-Y314 HydrophobicContact CD2-CE1 3.76Å; L35-Y314 HydrophobicContact CD2-CG 4.18Å; L38-Y314 HydrophobicContact CD1-CD2 4.49Å; L38-Y314 HydrophobicContact CD1-CE2 3.56Å; L38-Y314 WeakPolarHBondContact CD1-OH 3.32Å; D43-Y314 HydrophobicContact CB-CD2 4.07Å; L44-Y314 HydrophobicContact CD2-CD2 4.34Å; L44-Y314 HydrophobicContact CD2-CG 4.03Å; I310-Y314 PolarHBondContact O-N 3.17Å; I311-Y314 WeakPolarHBondContact O-CB 3.25Å; I311-Y314 PolarHBondContact O-N 3.2Å; D312-Y314 PolarHBondContact O-N 3.25Å; Y314-W316 VanDerWaalsContact C-N 3.34Å; Y314-W316 PolarHBondContact O-N 2.89Å; Y314-P317 WeakPolarHBondContact O-CD 3.44Å; Y314-Y318 HydrophobicContact CE1-CD2 4.2Å; Y314-Y318 HydrophobicContact CE1-CG 4.46Å; Y314-Y318 VanDerWaalsContact O-CB 3.28Å; Y314-Y318 WeakPolarHBondContact O-CB 3.39Å; Y314-Y318 PolarHBondContact O-N 3.04Å
315L95.7Very high94Very high0 Ų047.1 Ų47.10%022%0.219CC..Hα-helixtrans-65.9-34-173.9-71.6177000112.9V241 L245 L248 V285 I311 D312 Y318 A319V241-L315 HydrophobicContact CG1-CB 3.93Å; V241-L315 HydrophobicContact CG1-CD1 3.94Å; L245-L315 HydrophobicContact CD2-CD1 3.96Å; L248-L315 HydrophobicContact CD1-CD2 3.94Å; V285-L315 HydrophobicContact CG2-CD1 3.99Å; I311-L315 HydrophobicContact CG2-CD1 3.73Å; I311-L315 HydrophobicContact CG2-CG 4.06Å; I311-L315 WeakPolarHBondContact O-CG 3.43Å; I311-L315 PolarHBondContact O-N 3.17Å; D312-L315 PolarHBondContact O-N 3.48Å; D312-L315 VanDerWaalsContact O-N 3.07Å; L315-Y318 WeakPolarHBondContact O-CB 3.19Å; L315-Y318 PolarHBondContact O-N 3.03Å; L315-A319 WeakPolarHBondContact O-CB 3.46Å; L315-A319 PolarHBondContact O-N 3.27Å
316W93.9Very high94.2Very high54 Ų5440.8 Ų40.821%0.20519%0.185CC..Hα-helixtrans-68.7-50.3-179.5-174.497.9000112.6Y99 D238 V241 D312 Y314 Y318 A319 K320Y99-W316 AromaticContact CD1-CH2 3.94Å; Y99-W316 HydrophobicContact CD1-CH2 3.94Å; Y99-W316 HydrophobicContact CD1-CZ2 4.13Å; D238-W316 PolarHBondContact OD2-NE1 2.89Å; V241-W316 HydrophobicContact CG2-CB 4.01Å; D312-W316 WeakPolarHBondContact O-CB 3.33Å; D312-W316 PolarHBondContact O-N 3.47Å; Y314-W316 VanDerWaalsContact C-N 3.34Å; Y314-W316 PolarHBondContact O-N 2.89Å; W316-Y318 VanDerWaalsContact C-N 3.32Å; W316-Y318 PolarHBondContact O-N 3.09Å; W316-A319 WeakPolarHBondContact O-CB 3.4Å; W316-A319 PolarHBondContact O-N 3.33Å; W316-K320 PolarHBondContact O-N 2.99Å
317P91.4Very high94Very high30 Ų3044.2 Ų44.220%0.19521%0.214CC..Hα-helixtrans-60.6-38.7170-25.435.5000113.3F313 Y314 A319 K320 Q321F313-P317 WeakPolarHBondContact O-CD 3.4Å; F313-P317 WeakPolarHBondContact O-CG 3.42Å; Y314-P317 WeakPolarHBondContact O-CD 3.44Å; P317-A319 VanDerWaalsContact C-N 3.3Å; P317-A319 PolarHBondContact O-N 2.89Å; P317-K320 WeakPolarHBondContact O-CB 3.49Å; P317-K320 PolarHBondContact O-N 3.32Å; P317-Q321 WeakPolarHBondContact O-CG 3.09Å; P317-Q321 PolarHBondContact O-N 3.49Å
318Y93.5Very high93.7Very high25 Ų2549.6 Ų49.610%0.09824%0.238CC..Hα-helixtrans-54.7-47.7173.7177.9-84.6000110.7A244 L248 Y314 L315 W316 K320 Q321 H322A244-Y318 HydrophobicContact CB-CD1 4.19Å; L248-Y318 HydrophobicContact CD1-CE1 4.14Å; L248-Y318 HydrophobicContact CD2-CE1 4.07Å; L248-Y318 WeakPolarHBondContact CD2-OH 3.43Å; L248-Y318 HydrophobicContact CG-CE1 4.14Å; Y314-Y318 HydrophobicContact CE1-CD2 4.2Å; Y314-Y318 HydrophobicContact CE1-CG 4.46Å; Y314-Y318 VanDerWaalsContact O-CB 3.28Å; Y314-Y318 WeakPolarHBondContact O-CB 3.39Å; Y314-Y318 PolarHBondContact O-N 3.04Å; L315-Y318 WeakPolarHBondContact O-CB 3.19Å; L315-Y318 PolarHBondContact O-N 3.03Å; W316-Y318 VanDerWaalsContact C-N 3.32Å; W316-Y318 PolarHBondContact O-N 3.09Å; Y318-K320 PolarHBondContact O-N 3.42Å; Y318-Q321 PolarHBondContact O-N 3.46Å; Y318-Q321 VanDerWaalsContact O-N 3.14Å; Y318-H322 AromaticContact CD2-CD2 3.51Å; Y318-H322 AromaticContact CD2-NE2 3.67Å; Y318-H322 HydrophobicContact CE1-CB 4.35Å; Y318-H322 AromaticContact CE1-CD2 3.86Å; Y318-H322 AromaticContact CE2-CD2 3.34Å; Y318-H322 WeakPolarHBondContact CE2-CD2 3.44Å; Y318-H322 AromaticContact CE2-NE2 3.27Å; Y318-H322 VanDerWaalsContact CE2-NE2 3.27Å; Y318-H322 WeakPolarHBondContact CE2-NE2 3.48Å; Y318-H322 AromaticContact CG-CD2 3.83Å; Y318-H322 AromaticContact CZ-CD2 3.51Å; Y318-H322 AromaticContact CZ-CG 3.88Å; Y318-H322 AromaticContact CZ-NE2 3.76Å; Y318-H322 PolarHBondContact O-CD2 3.27Å; Y318-H322 VanDerWaalsContact O-CD2 3.27Å; Y318-H322 PolarHBondContact O-N 2.85Å
319A93Very high93.5Very high0 Ų049.9 Ų49.90%024%0.24CC..Hα-helixtrans-59.4-34.6177.800000112.5R240 A244 L315 W316 P317 H323 M326R240-A319 HydrophobicContact CB-CB 4.06Å; R240-A319 PolarHBondContact NH2-O 3.02Å; A244-A319 HydrophobicContact CB-CB 3.86Å; L315-A319 WeakPolarHBondContact O-CB 3.46Å; L315-A319 PolarHBondContact O-N 3.27Å; W316-A319 WeakPolarHBondContact O-CB 3.4Å; W316-A319 PolarHBondContact O-N 3.33Å; P317-A319 VanDerWaalsContact C-N 3.3Å; P317-A319 PolarHBondContact O-N 2.89Å; A319-H323 PolarHBondContact O-N 3.45Å; A319-M326 HydrophobicContact CB-CE 3.99Å; A319-M326 WeakPolarHBondContact O-CE 3.43Å
320K89.1Confident93.4Very high109 Ų10951.3 Ų51.347%0.47425%0.249SC..Hα-helixtrans-72.7-42.2176.4-170.5176.2-178.5177.60112W316 P317 Y318 H323W316-K320 PolarHBondContact O-N 2.99Å; P317-K320 WeakPolarHBondContact O-CB 3.49Å; P317-K320 PolarHBondContact O-N 3.32Å; Y318-K320 PolarHBondContact O-N 3.42Å; K320-H323 PolarHBondContact O-N 3.4Å; K320-H323 PolarHBondContact O-ND1 2.97Å
321Q92Very high93.2Very high148 Ų14852.3 Ų52.369%0.69225%0.254SS*.Hα-helixtrans-65.5-40.1179.1-70174.4400111.6P317 Y318P317-Q321 WeakPolarHBondContact O-CG 3.09Å; P317-Q321 PolarHBondContact O-N 3.49Å; Y318-Q321 PolarHBondContact O-N 3.46Å; Y318-Q321 VanDerWaalsContact O-N 3.14Å
322H94.1Very high93Very high45 Ų4552.4 Ų52.421%0.20826%0.255CS..THydrogen-bonded Turntrans-93.313.8-178.1-66.7-88.4000114.1Y318 K324 E325 M326Y318-H322 AromaticContact CD2-CD2 3.51Å; Y318-H322 AromaticContact CD2-NE2 3.67Å; Y318-H322 HydrophobicContact CE1-CB 4.35Å; Y318-H322 AromaticContact CE1-CD2 3.86Å; Y318-H322 AromaticContact CE2-CD2 3.34Å; Y318-H322 WeakPolarHBondContact CE2-CD2 3.44Å; Y318-H322 AromaticContact CE2-NE2 3.27Å; Y318-H322 VanDerWaalsContact CE2-NE2 3.27Å; Y318-H322 WeakPolarHBondContact CE2-NE2 3.48Å; Y318-H322 AromaticContact CG-CD2 3.83Å; Y318-H322 AromaticContact CZ-CD2 3.51Å; Y318-H322 AromaticContact CZ-CG 3.88Å; Y318-H322 AromaticContact CZ-NE2 3.76Å; Y318-H322 PolarHBondContact O-CD2 3.27Å; Y318-H322 VanDerWaalsContact O-CD2 3.27Å; Y318-H322 PolarHBondContact O-N 2.85Å; H322-K324 PolarHBondContact O-N 3.37Å; H322-K324 VanDerWaalsContact O-N 3.09Å; H322-E325 IonicContact CE1-OE2 3.9Å; H322-E325 IonicContact CG-OE2 3.01Å; H322-E325 IonicContact ND1-OE1 3.9Å; H322-E325 IonicContact ND1-OE2 2.96Å; H322-E325 PolarHBondContact ND1-OE2 2.81Å; H322-E325 PolarHBondContact O-N 3.49Å; H322-M326 WeakPolarHBondContact O-CG 3.36Å; H322-M326 PolarHBondContact O-N 2.97Å; H322-M326 VanDerWaalsContact O-N 3.11Å
323H90.8Very high92.8Very high90 Ų9054.2 Ų54.242%0.41726%0.263SS..THydrogen-bonded Turntrans-55-35.2-173.170.8-80.8000114.5A319 K320 A327A319-H323 PolarHBondContact O-N 3.45Å; K320-H323 PolarHBondContact O-N 3.4Å; K320-H323 PolarHBondContact O-ND1 2.97Å; H323-A327 PolarHBondContact O-N 3.3Å
324K92.3Very high92.8Very high166 Ų16653.5 Ų53.572%0.72226%0.26SS*.THydrogen-bonded Turntrans-70.1-39.4178.5-62.4-172.5178.3177.20112.2H322 M326 A327H322-K324 PolarHBondContact O-N 3.37Å; H322-K324 VanDerWaalsContact O-N 3.09Å; K324-M326 VanDerWaalsContact C-N 3.26Å; K324-M326 PolarHBondContact O-N 3.09Å; K324-A327 WeakPolarHBondContact O-CB 3.45Å; K324-A327 PolarHBondContact O-N 2.74Å
325E94.5Very high92.8Very high110 Ų11055.7 Ų55.751%0.51427%0.268SS..THydrogen-bonded Turntrans-67.4-33178.6-66.7166.9-158.100110.8H322 H328H322-E325 IonicContact CE1-OE2 3.9Å; H322-E325 IonicContact CG-OE2 3.01Å; H322-E325 IonicContact ND1-OE1 3.9Å; H322-E325 IonicContact ND1-OE2 2.96Å; H322-E325 PolarHBondContact ND1-OE2 2.81Å; H322-E325 PolarHBondContact O-N 3.49Å; E325-H328 PolarHBondContact O-CE1 3.1Å; E325-H328 PolarHBondContact O-ND1 2.62Å
326M94.8Very high92.7Very high0 Ų056.4 Ų56.40%027%0.273CS..THydrogen-bonded Turntrans-88.32.6179.4-57.7-173.2-52.600114.4Q243 A244 H247 A319 H322 K324 H328 I329Q243-M326 HydrophobicContact CG-CB 4.31Å; Q243-M326 HydrophobicContact CG-CE 4.46Å; Q243-M326 HydrophobicContact CG-SD 4.44Å; Q243-M326 PolarHBondContact NE2-O 3.49Å; A244-M326 HydrophobicContact CB-SD 4.08Å; H247-M326 HydrophobicContact CB-CG 3.67Å; H247-M326 HydrophobicContact CB-SD 3.69Å; H247-M326 VanDerWaalsContact CG-CG 3.48Å; A319-M326 HydrophobicContact CB-CE 3.99Å; A319-M326 WeakPolarHBondContact O-CE 3.43Å; H322-M326 WeakPolarHBondContact O-CG 3.36Å; H322-M326 PolarHBondContact O-N 2.97Å; H322-M326 VanDerWaalsContact O-N 3.11Å; K324-M326 VanDerWaalsContact C-N 3.26Å; K324-M326 PolarHBondContact O-N 3.09Å; M326-H328 PolarHBondContact O-N 3.27Å; M326-I329 PolarHBondContact O-N 2.8Å
327A91.3Very high92.9Very high77 Ų7755.5 Ų55.564%0.63627%0.271SS*.THydrogen-bonded Turntrans-58.2-23.2-17500000113.9H323 K324 I329H323-A327 PolarHBondContact O-N 3.3Å; K324-A327 WeakPolarHBondContact O-CB 3.45Å; K324-A327 PolarHBondContact O-N 2.74Å; A327-I329 VanDerWaalsContact C-N 3.29Å; A327-I329 PolarHBondContact O-N 2.95Å
328H90.9Very high93Very high121 Ų12156.6 Ų56.656%0.5627%0.272SS*.THydrogen-bonded Turntrans-78.6-8.2176.667.3-81.2000114.2E325 M326E325-H328 PolarHBondContact O-CE1 3.1Å; E325-H328 PolarHBondContact O-ND1 2.62Å; M326-H328 PolarHBondContact O-N 3.27Å
329I94.1Very high92.1Very high6 Ų655.4 Ų55.43%0.03127%0.268CS..SBendtrans-107.9101.3177.3-55.7165.2000106.5Q243 V246 H247 M326 A327Q243-I329 HydrophobicContact CG-CB 4.11Å; Q243-I329 HydrophobicContact CG-CG2 3.9Å; Q243-I329 PolarHBondContact NE2-O 3.33Å; V246-I329 HydrophobicContact CB-CD1 4.42Å; V246-I329 HydrophobicContact CB-CG2 4.13Å; V246-I329 HydrophobicContact CG1-CD1 4.02Å; V246-I329 HydrophobicContact CG1-CG1 4.37Å; V246-I329 HydrophobicContact CG1-CG2 3.9Å; H247-I329 HydrophobicContact CB-CD1 3.69Å; M326-I329 PolarHBondContact O-N 2.8Å; A327-I329 VanDerWaalsContact C-N 3.29Å; A327-I329 PolarHBondContact O-N 2.95Å
330P92.3Very high92.1Very high31 Ų3158.2 Ų58.220%0.20128%0.281CS..PPolyproline II helixtrans-66.1146.1-179-13.626.5000110.9L261 R262L261-P330 HydrophobicContact CB-CB 3.98Å; L261-P330 HydrophobicContact CB-CG 4.27Å; R262-P330 HydrophobicContact CB-CG 4.36Å; R262-P330 HydrophobicContact CG-CG 3.6Å
331I91.9Very high92.2Very high29 Ų2955.5 Ų55.515%0.14927%0.271CS..PPolyproline II helixtrans-75.7152.6168.858168.2000109.3W79 Y239 Q243 H333W79-I331 HydrophobicContact CB-CD1 4.41Å; Y239-I331 HydrophobicContact CD2-CB 4.1Å; Y239-I331 HydrophobicContact CD2-CD1 3.46Å; Y239-I331 VanDerWaalsContact CD2-CD1 3.46Å; Y239-I331 HydrophobicContact CD2-CG1 4.38Å; Y239-I331 HydrophobicContact CD2-CG2 4.01Å; Y239-I331 HydrophobicContact CE2-CD1 3.8Å; Y239-I331 HydrophobicContact CG-CD1 4.37Å; Q243-I331 HydrophobicContact CB-CG2 4.23Å; Q243-I331 HydrophobicContact CG-CG2 4.23Å; I331-H333 VanDerWaalsContact CD1-NE2 3.35Å; I331-H333 WeakPolarHBondContact CD1-NE2 3.34Å; I331-H333 WeakPolarHBondContact CG1-NE2 3.4Å
332H92.4Very high92.3Very high2 Ų250.4 Ų50.41%0.00925%0.247CC..PPolyproline II helixtrans-80.7146.716864.6-65.4000110D238 L261 L267 I277 Y339D238-H332 PolarHBondContact O-CE1 2.96Å; L261-H332 HydrophobicContact CD2-CB 3.66Å; L267-H332 HydrophobicContact CD1-CB 4.11Å; I277-H332 HydrophobicContact CD1-CB 3.7Å; I277-H332 WeakPolarHBondContact CG2-CE1 3.17Å; H332-Y339 AromaticContact CD2-CE2 3.79Å; H332-Y339 AromaticContact CD2-CZ 3.57Å; H332-Y339 PolarHBondContact CD2-OH 2.97Å; H332-Y339 AromaticContact CE1-CE2 3.66Å; H332-Y339 AromaticContact CE1-CZ 3.7Å; H332-Y339 PolarHBondContact CE1-OH 2.89Å; H332-Y339 PolarHBondContact ND1-OH 2.87Å; H332-Y339 AromaticContact NE2-CE2 3.09Å; H332-Y339 WeakPolarHBondContact NE2-CE2 3.4Å; H332-Y339 AromaticContact NE2-CZ 3.3Å; H332-Y339 VanDerWaalsContact NE2-CZ 3.3Å; H332-Y339 PolarHBondContact NE2-OH 2.77Å; H332-Y339 PolarHBondContact O-OH 3.08Å
333H92.3Very high92.2Very high45 Ų4550.7 Ų50.721%0.20825%0.25CC..BIsolated β-bridgetrans-118112-177.7-66.5137.8000109.5W79 L266 L267 I331W79-H333 AromaticContact CD1-CD2 3.26Å; W79-H333 AromaticContact CD1-CG 3.99Å; W79-H333 AromaticContact CD1-NE2 3.75Å; W79-H333 AromaticContact CG-CD2 3.68Å; W79-H333 AromaticContact NE1-CD2 3.45Å; W79-H333 PolarHBondContact NE1-CD2 3.22Å; W79-H333 AromaticContact NE1-CG 3.83Å; L266-H333 WeakPolarHBondContact CA-O 3.37Å; L266-H333 HydrophobicContact CD2-CB 3.52Å; L267-H333 PolarHBondContact N-O 2.73Å; I331-H333 VanDerWaalsContact CD1-NE2 3.35Å; I331-H333 WeakPolarHBondContact CD1-NE2 3.34Å; I331-H333 WeakPolarHBondContact CG1-NE2 3.4Å
334T93.8Very high92.2Very high0 Ų048.3 Ų48.30%024%0.239CC..  trans-129.499.4179.6-58.30000109.4W79 L267 E274 C336 Y339W79-T334 WeakPolarHBondContact CH2-O 3.2Å; W79-T334 VanDerWaalsContact CZ2-C 3.49Å; W79-T334 VanDerWaalsContact CZ2-O 3.27Å; W79-T334 WeakPolarHBondContact CZ2-O 3.17Å; L267-T334 WeakPolarHBondContact O-CA 3.21Å; L267-T334 WeakPolarHBondContact O-CG2 3.21Å; L267-T334 PolarHBondContact O-OG1 3.05Å; E274-T334 HydrophobicContact CG-CG2 3.97Å; E274-T334 WeakPolarHBondContact CG-OG1 3.39Å; T334-C336 PolarHBondContact O-N 3.06Å; T334-C336 VanDerWaalsContact O-N 3.08Å; T334-Y339 WeakPolarHBondContact O-CD1 3.02Å
335R94.1Very high92.2Very high82 Ų8240.4 Ų40.431%0.30921%0.207SC..  trans-77.997.9-177.8-170.167.665.7-177.7-1.4110.3S77 W79 M144S77-R335 PolarHBondContact O-NH1 3Å; W79-R335 PolarHBondContact O-NH1 2.94Å; W79-R335 PolarHBondContact O-NH2 3.34Å; M144-R335 HydrophobicContact CE-CG 4.48Å; M144-R335 HydrophobicContact CG-CG 4.36Å; M144-R335 WeakPolarHBondContact SD-CD 3.5Å; M144-R335 HydrophobicContact SD-CG 3.83Å
336C95.1Very high92.1Very high15 Ų1535.4 Ų35.410%0.10119%0.185CC..SBendtrans-157.2174.5176750000112.2F76 S77 T334 Y338 Y339F76-C336 WeakPolarHBondContact CD2-O 3.45Å; S77-C336 PolarHBondContact OG-N 2.65Å; S77-C336 PolarHBondContact OG-O 2.9Å; T334-C336 PolarHBondContact O-N 3.06Å; T334-C336 VanDerWaalsContact O-N 3.08Å; C336-Y338 VanDerWaalsContact C-N 3.28Å; C336-Y338 PolarHBondContact O-N 3.12Å; C336-Y338 PolarHBondContact SG-N 3.34Å; C336-Y339 VanDerWaalsContact SG-CB 3.53Å
337I96.8Very high91.9Very high34 Ų3438.2 Ų38.217%0.17420%0.199CC..THydrogen-bonded Turntrans-77-11.1179.866.6172.3000114.2F76 M144 E147 V151 R207F76-I337 WeakPolarHBondContact CB-O 3.22Å; F76-I337 WeakPolarHBondContact CD1-O 3.25Å; F76-I337 HydrophobicContact CD2-CB 4.36Å; F76-I337 HydrophobicContact CD2-CG2 4.46Å; F76-I337 HydrophobicContact CE1-CB 4.45Å; F76-I337 HydrophobicContact CE2-CB 4.2Å; F76-I337 HydrophobicContact CE2-CG2 3.9Å; F76-I337 WeakPolarHBondContact CG-O 3.37Å; F76-I337 HydrophobicContact CZ-CB 4.24Å; F76-I337 HydrophobicContact CZ-CG2 4.03Å; M144-I337 HydrophobicContact CE-CG2 4.25Å; E147-I337 HydrophobicContact CB-CG2 3.7Å; E147-I337 HydrophobicContact CG-CG2 4Å; V151-I337 HydrophobicContact CG1-CB 4.49Å; V151-I337 HydrophobicContact CG1-CD1 4.06Å; V151-I337 HydrophobicContact CG1-CG2 4.36Å; R207-I337 PolarHBondContact NE-O 3.08Å; R207-I337 PolarHBondContact NH1-O 3.16Å; R207-I337 PolarHBondContact NH2-O 2.92Å; R207-I337 VanDerWaalsContact NH2-O 3.09Å
338Y93.5Very high91.9Very high53 Ų5334.9 Ų34.921%0.20816%0.163CC..THydrogen-bonded Turntrans-94.9-11.5-174.1-57.2-60.8000113.7S190 R192 D193 K206 C336S190-Y338 WeakPolarHBondContact O-CE1 3.17Å; R192-Y338 WeakPolarHBondContact O-CE1 3.43Å; R192-Y338 PolarHBondContact O-OH 3.03Å; D193-Y338 HydrophobicContact CB-CD1 3.52Å; D193-Y338 HydrophobicContact CB-CE1 4.17Å; D193-Y338 HydrophobicContact CB-CG 3.85Å; D193-Y338 WeakPolarHBondContact OD1-CB 3.44Å; K206-Y338 VanDerWaalsContact CD-O 3.25Å; K206-Y338 WeakPolarHBondContact CD-O 3.39Å; C336-Y338 VanDerWaalsContact C-N 3.28Å; C336-Y338 PolarHBondContact O-N 3.12Å; C336-Y338 PolarHBondContact SG-N 3.34Å
339Y75.8Confident92Very high1 Ų127.1 Ų27.10%0.00413%0.127CC..  trans-128.90-160.5-177.6-96.1000111.9F76 S77 W79 K206 Y239 H332 T334 C336F76-Y339 CarbonylContact C-O 3.58Å; F76-Y339 VanDerWaalsContact CA-O 3.26Å; F76-Y339 WeakPolarHBondContact CA-O 3.48Å; F76-Y339 VanDerWaalsContact CB-O 3.27Å; F76-Y339 WeakPolarHBondContact CB-O 2.98Å; S77-Y339 PolarHBondContact N-O 3.49Å; S77-Y339 PolarHBondContact OG-O 3.03Å; W79-Y339 HydrophobicContact CE3-CE1 4.22Å; W79-Y339 AromaticContact CH2-CD1 3.27Å; W79-Y339 HydrophobicContact CH2-CD1 3.27Å; W79-Y339 AromaticContact CH2-CE1 3.55Å; W79-Y339 HydrophobicContact CH2-CE1 3.55Å; W79-Y339 HydrophobicContact CZ2-CD1 4.27Å; W79-Y339 HydrophobicContact CZ2-CE1 4.29Å; W79-Y339 AromaticContact CZ3-CD1 3.35Å; W79-Y339 HydrophobicContact CZ3-CD1 3.35Å; W79-Y339 AromaticContact CZ3-CE1 3.4Å; W79-Y339 HydrophobicContact CZ3-CE1 3.4Å; W79-Y339 VanDerWaalsContact CZ3-CE1 3.4Å; K206-Y339 PolarHBondContact NZ-OXT 3.08Å; Y239-Y339 WeakPolarHBondContact CA-OH 3.45Å; Y239-Y339 VanDerWaalsContact CB-CZ 3.49Å; Y239-Y339 WeakPolarHBondContact CB-OH 2.94Å; Y239-Y339 HydrophobicContact CD1-CE1 4.19Å; Y239-Y339 HydrophobicContact CG-CE1 4.49Å; H332-Y339 AromaticContact CD2-CE2 3.79Å; H332-Y339 AromaticContact CD2-CZ 3.57Å; H332-Y339 PolarHBondContact CD2-OH 2.97Å; H332-Y339 AromaticContact CE1-CE2 3.66Å; H332-Y339 AromaticContact CE1-CZ 3.7Å; H332-Y339 PolarHBondContact CE1-OH 2.89Å; H332-Y339 PolarHBondContact ND1-OH 2.87Å; H332-Y339 AromaticContact NE2-CE2 3.09Å; H332-Y339 WeakPolarHBondContact NE2-CE2 3.4Å; H332-Y339 AromaticContact NE2-CZ 3.3Å; H332-Y339 VanDerWaalsContact NE2-CZ 3.3Å; H332-Y339 PolarHBondContact NE2-OH 2.77Å; H332-Y339 PolarHBondContact O-OH 3.08Å; T334-Y339 WeakPolarHBondContact O-CD1 3.02Å; C336-Y339 VanDerWaalsContact SG-CB 3.53Å

Retrieved 339 of 339 residues in 88.4 ms (Link to these results)

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