A0A3B3VN90_9TELE Loading...

Aspartate dehydrogenase domain-containing protein

AlphaFold DB , UniProt , Accession A0A3B3VN90, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 278 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
1M44.3Very low71.5Confident235 Ų23595.2 Ų95.2100%1.15853%0.528SS*.  0108.80-72.7174.3-172.100105.7
2D40.3Very low73.7Confident164 Ų16487.3 Ų87.388%0.87748%0.484SS*.  trans16861159.1-87.7-10.6000107.9N4D2-N4 VanDerWaalsContact C-N 3.27Å; D2-N4 PolarHBondContact O-N 2.75Å
3T39.9Very low75.7Confident138 Ų13880.5 Ų80.585%0.84745%0.447SS*.  trans-91.879.615653.90000105.7S5T3-S5 PolarHBondContact O-N 3.42Å
4N43.8Very low77.2Confident160 Ų16074.8 Ų74.886%0.85642%0.415SS*.  trans-66.476.9162.7-150.97.1000105.8D2 S6D2-N4 VanDerWaalsContact C-N 3.27Å; D2-N4 PolarHBondContact O-N 2.75Å; N4-S6 PolarHBondContact O-N 2.81Å
5S56.8Low78.6Confident76 Ų7670.1 Ų70.153%0.53139%0.388SS..  trans-69.285.9176.7167.70000105.9T3 T7T3-S5 PolarHBondContact O-N 3.42Å; S5-T7 PolarHBondContact O-N 3.25Å
6S78.3Confident79.5Confident89 Ų8967.9 Ų67.962%0.62239%0.386SS*.  trans-52.6115.1175.456.80000108.1N4 L8N4-S6 PolarHBondContact O-N 2.81Å; S6-L8 PolarHBondContact O-N 3.42Å
7T91.3Very high80.3Confident81 Ų8172.7 Ų72.750%0.49741%0.405SS..PPolyproline II helixtrans-56.3123.7177.1-47.10000108.9S5 G34 V36S5-T7 PolarHBondContact O-N 3.25Å; T7-G34 CarbonylContact C-O 3.6Å; T7-G34 WeakPolarHBondContact CA-O 3.28Å; T7-V36 HydrophobicContact CG2-CB 4.02Å; T7-V36 HydrophobicContact CG2-CG1 3.47Å; T7-V36 VanDerWaalsContact CG2-CG1 3.47Å
8L95.9Very high81.1Confident18 Ų1870 Ų709%0.09439%0.389CS..EExtended strand (participates in β ladder)trans-83.7127.1176.5-76.9178.2000110.5S6 G34 L35 V36 D70 V71 C268 R269S6-L8 PolarHBondContact O-N 3.42Å; L8-G34 PolarHBondContact N-O 2.83Å; L8-L35 HydrophobicContact CB-CD2 3.76Å; L8-L35 HydrophobicContact CD1-CD2 4.19Å; L8-L35 CarbonylContact O-C 3.46Å; L8-L35 WeakPolarHBondContact O-CA 3.15Å; L8-V36 PolarHBondContact O-N 3.42Å; L8-D70 WeakPolarHBondContact CA-OD2 3.34Å; L8-D70 HydrophobicContact CD2-CB 3.53Å; L8-V71 HydrophobicContact CD1-CG2 4.46Å; L8-C268 WeakPolarHBondContact CD1-O 3.36Å; L8-R269 HydrophobicContact CD1-CB 4.47Å; L8-R269 HydrophobicContact CD1-CG 3.9Å; L8-R269 VanDerWaalsContact CD1-NH1 3.25Å; L8-R269 VanDerWaalsContact CG-NH1 3.29Å
9R98.1Very high81.9Confident86 Ų8666.3 Ų66.333%0.32537%0.369SS..EExtended strand (participates in β ladder)trans-90.2119176.4-168.6174.4-176.4113.29.1110.6V36 G38 R67 R68 C69 D70 V71R9-V36 CarbonylContact C-O 3.54Å; R9-V36 WeakPolarHBondContact CA-O 3.33Å; R9-V36 HydrophobicContact CB-CG1 4.07Å; R9-V36 HydrophobicContact CG-CG1 4.31Å; R9-G38 PolarHBondContact NH2-O 3.44Å; R9-R67 WeakPolarHBondContact CD-O 3.43Å; R9-R67 PolarHBondContact NE-O 2.94Å; R9-R68 WeakPolarHBondContact CD-O 3.4Å; R9-C69 CarbonylContact O-C 3.57Å; R9-C69 WeakPolarHBondContact O-CA 3.38Å; R9-C69 WeakPolarHBondContact O-CB 3.45Å; R9-D70 PolarHBondContact N-OD2 3.37Å; R9-D70 PolarHBondContact O-N 2.95Å; R9-V71 PolarHBondContact O-N 3.46Å
10V98.6Very high82.7Confident0 Ų067.4 Ų67.40%037%0.369CS..EExtended strand (participates in β ladder)trans-106.2124.4-173.8-175.60000111V12 L26 L35 V36 G38 V71 V73 L265V10-V12 HydrophobicContact CG1-CG2 4.29Å; V10-L26 HydrophobicContact CB-CD1 4.1Å; V10-L26 HydrophobicContact CB-CD2 4.26Å; V10-L26 HydrophobicContact CG1-CD1 3.96Å; V10-L26 HydrophobicContact CG2-CD2 4.1Å; V10-L35 HydrophobicContact CG2-CD2 4.36Å; V10-V36 PolarHBondContact N-O 3.3Å; V10-G38 PolarHBondContact O-N 2.57Å; V10-V71 CarbonylContact C-O 3.51Å; V10-V71 WeakPolarHBondContact CA-O 3.34Å; V10-V73 HydrophobicContact CG1-CG2 3.93Å; V10-L265 HydrophobicContact CG1-CD1 4.06Å; V10-L265 HydrophobicContact CG1-CD2 4.16Å; V10-L265 HydrophobicContact CG2-CD1 4.22Å
11G98.7Very high83.4Confident0 Ų066.1 Ų66.10%036%0.36CS..EExtended strand (participates in β ladder)trans-94.1131167.700000110.7F39 C69 V71 I72 V73G11-F39 VanDerWaalsContact CA-CE1 3.49Å; G11-C69 PolarHBondContact N-SG 2.86Å; G11-C69 VanDerWaalsContact N-SG 3.43Å; G11-V71 PolarHBondContact N-O 2.86Å; G11-I72 CarbonylContact O-C 3.46Å; G11-I72 WeakPolarHBondContact O-CA 3.42Å; G11-V73 PolarHBondContact O-N 3.19Å
12V98.8Very high85.9Confident0 Ų054.9 Ų54.90%031%0.305CS..EExtended strand (participates in β ladder)trans-110.6123.2177.9-178.60000109.9V10 V23 L26 L37 F39 V40 W41 V75V10-V12 HydrophobicContact CG1-CG2 4.29Å; V12-V23 HydrophobicContact CB-CG2 4.13Å; V12-V23 HydrophobicContact CG1-CG2 4.08Å; V12-V23 HydrophobicContact CG2-CG2 4.14Å; V12-L26 HydrophobicContact CG2-CD1 3.83Å; V12-L37 HydrophobicContact CG2-CD1 3.9Å; V12-F39 PolarHBondContact N-O 3.04Å; V12-V40 CarbonylContact O-C 3.55Å; V12-V40 WeakPolarHBondContact O-CA 3.36Å; V12-W41 PolarHBondContact O-N 3.44Å; V12-V75 HydrophobicContact CG1-CG2 4.33Å
13V98.7Very high88.7Confident0 Ų047.1 Ų47.10%026%0.263CS..EExtended strand (participates in β ladder)trans-113.498.3-178.7-172.60000108.8F39 W41 L61 I72 V73 V75 C76 I80 F88V13-F39 HydrophobicContact CG2-CE2 3.92Å; V13-F39 HydrophobicContact CG2-CZ 4.1Å; V13-W41 HydrophobicContact CG1-CD2 4.37Å; V13-W41 HydrophobicContact CG1-CE3 3.48Å; V13-W41 VanDerWaalsContact CG1-CE3 3.48Å; V13-W41 HydrophobicContact CG1-CZ3 3.96Å; V13-L61 HydrophobicContact CG1-CD1 4.05Å; V13-L61 HydrophobicContact CG1-CD2 3.93Å; V13-L61 HydrophobicContact CG2-CD1 3.97Å; V13-I72 HydrophobicContact CG2-CG2 3.7Å; V13-V73 PolarHBondContact N-O 3.19Å; V13-V75 PolarHBondContact O-N 3.1Å; V13-C76 PolarHBondContact O-SG 3.46Å; V13-C76 VanDerWaalsContact O-SG 3.4Å; V13-I80 HydrophobicContact CG1-CG2 3.79Å; V13-F88 HydrophobicContact CG2-CZ 4Å
14G97.6Very high91.4Very high0 Ų043.7 Ų43.70%024%0.24CC..  trans123129.7-17400000112.1G19 W41G14-G19 WeakPolarHBondContact O-CA 3.29Å; G14-W41 PolarHBondContact N-O 3.48Å
15Y97.3Very high94Very high4 Ų439.1 Ų39.12%0.01621%0.212CC..  trans-126.341.5178.7-153.8-114.6000112.6K20 V23 V40 N42 K47 L48 S51 V52Y15-K20 HydrophobicContact CD1-CD 4.47Å; Y15-K20 HydrophobicContact CD1-CG 3.82Å; Y15-K20 HydrophobicContact CD2-CG 4.11Å; Y15-K20 HydrophobicContact CE1-CD 4.26Å; Y15-K20 HydrophobicContact CE1-CG 3.64Å; Y15-K20 HydrophobicContact CE2-CB 4.47Å; Y15-K20 HydrophobicContact CE2-CG 3.92Å; Y15-K20 HydrophobicContact CG-CG 4.06Å; Y15-V23 HydrophobicContact CD2-CG2 4.17Å; Y15-V23 HydrophobicContact CE2-CB 3.86Å; Y15-V23 HydrophobicContact CE2-CG1 3.97Å; Y15-V23 HydrophobicContact CE2-CG2 3.83Å; Y15-V40 HydrophobicContact CD2-CG1 3.64Å; Y15-V40 HydrophobicContact CE2-CG1 4.18Å; Y15-V40 HydrophobicContact CG-CG1 4.36Å; Y15-N42 PolarHBondContact N-OD1 3.14Å; Y15-N42 VanDerWaalsContact N-OD1 3.14Å; Y15-K47 WeakPolarHBondContact CD1-O 3.31Å; Y15-K47 WeakPolarHBondContact CE1-O 3.39Å; Y15-L48 HydrophobicContact CD1-CD2 3.49Å; Y15-L48 VanDerWaalsContact CD1-CD2 3.49Å; Y15-L48 HydrophobicContact CD1-CG 4.38Å; Y15-L48 HydrophobicContact CD2-CD2 3.63Å; Y15-L48 HydrophobicContact CE1-CD2 3.94Å; Y15-L48 HydrophobicContact CE2-CD2 4.07Å; Y15-L48 HydrophobicContact CG-CD2 3.3Å; Y15-L48 HydrophobicContact CG-CG 4.46Å; Y15-S51 WeakPolarHBondContact OH-CB 3.17Å; Y15-V52 HydrophobicContact CE1-CG2 4.18Å; Y15-V52 HydrophobicContact CE2-CG2 3.67Å; Y15-V52 VanDerWaalsContact CZ-CG2 3.47Å; Y15-V52 WeakPolarHBondContact OH-CG2 3.36Å
16G94Very high95.9Very high35 Ų3535.8 Ų35.836%0.36119%0.189SC..SBendtrans-75.7-169163.400000111.4L18 G19 K20G16-L18 VanDerWaalsContact C-N 3.31Å; G16-L18 PolarHBondContact O-N 3.15Å; G16-G19 PolarHBondContact O-N 3.14Å; G16-K20 WeakPolarHBondContact O-CG 3.32Å; G16-K20 PolarHBondContact O-N 3.1Å
17H92.9Very high96.8Very high150 Ų15035.5 Ų35.569%0.69418%0.179SC*.Hα-helixtrans-53.5-45.6-178.7-6197.4000113.2F21 Y258H17-F21 PolarHBondContact O-N 2.98Å; H17-F21 VanDerWaalsContact O-N 3.14Å; H17-Y258 HydrophobicContact CB-CE1 3.98Å; H17-Y258 WeakPolarHBondContact CB-OH 3.23Å
18L94.1Very high97Very high24 Ų2438.8 Ų38.813%0.12619%0.189CC..Hα-helixtrans-68.8-42.4179.3-17858.9000112.4G16 F21 L22 V75 Y258 F261G16-L18 VanDerWaalsContact C-N 3.31Å; G16-L18 PolarHBondContact O-N 3.15Å; L18-F21 PolarHBondContact O-N 3.05Å; L18-L22 HydrophobicContact CG-CD1 4.49Å; L18-L22 WeakPolarHBondContact O-CG 3.45Å; L18-L22 PolarHBondContact O-N 3.08Å; L18-V75 HydrophobicContact CD2-CB 4.06Å; L18-V75 HydrophobicContact CD2-CG1 3.59Å; L18-V75 HydrophobicContact CG-CB 4.29Å; L18-V75 HydrophobicContact CG-CG1 4.01Å; L18-Y258 HydrophobicContact CB-CE1 4.46Å; L18-Y258 HydrophobicContact CD1-CD1 3.94Å; L18-Y258 HydrophobicContact CD1-CG 4.2Å; L18-F261 HydrophobicContact CD1-CB 3.95Å; L18-F261 HydrophobicContact CD1-CD2 4.34Å; L18-F261 HydrophobicContact CD1-CG 4.05Å; L18-F261 HydrophobicContact CD2-CD1 3.73Å; L18-F261 HydrophobicContact CD2-CD2 3.86Å; L18-F261 HydrophobicContact CD2-CE1 3.72Å; L18-F261 HydrophobicContact CD2-CE2 3.87Å; L18-F261 HydrophobicContact CD2-CG 3.78Å; L18-F261 HydrophobicContact CD2-CZ 3.79Å; L18-F261 HydrophobicContact CG-CD1 4.45Å; L18-F261 HydrophobicContact CG-CG 4.38Å
19G97.1Very high96.9Very high0 Ų039.9 Ų39.90%020%0.201CC..Hα-helixtrans-61.4-43.2176.400000112.7G14 G16 L22 V23G14-G19 WeakPolarHBondContact O-CA 3.29Å; G16-G19 PolarHBondContact O-N 3.14Å; G19-L22 PolarHBondContact O-N 2.64Å; G19-V23 WeakPolarHBondContact O-CB 3.42Å; G19-V23 WeakPolarHBondContact O-CG2 3.36Å; G19-V23 PolarHBondContact O-N 3.26Å
20K97.1Very high96.8Very high87 Ų8735.8 Ų35.838%0.37819%0.186SC..Hα-helixtrans-56.6-52.9173.1-73-179.8176.1-161.70111.3Y15 G16 L22 V23 D24Y15-K20 HydrophobicContact CD1-CD 4.47Å; Y15-K20 HydrophobicContact CD1-CG 3.82Å; Y15-K20 HydrophobicContact CD2-CG 4.11Å; Y15-K20 HydrophobicContact CE1-CD 4.26Å; Y15-K20 HydrophobicContact CE1-CG 3.64Å; Y15-K20 HydrophobicContact CE2-CB 4.47Å; Y15-K20 HydrophobicContact CE2-CG 3.92Å; Y15-K20 HydrophobicContact CG-CG 4.06Å; G16-K20 WeakPolarHBondContact O-CG 3.32Å; G16-K20 PolarHBondContact O-N 3.1Å; K20-L22 VanDerWaalsContact C-N 3.3Å; K20-L22 PolarHBondContact O-N 3.08Å; K20-V23 PolarHBondContact O-N 2.81Å; K20-V23 VanDerWaalsContact O-N 3.1Å; K20-D24 PolarHBondContact O-N 3.32Å
21F97.1Very high96.5Very high41 Ų4140 Ų4018%0.1822%0.22CC..Hα-helixtrans-55.6-42.7178171.1-93.5000113.3H17 L18 K25 Y258 N259 W262H17-F21 PolarHBondContact O-N 2.98Å; H17-F21 VanDerWaalsContact O-N 3.14Å; L18-F21 PolarHBondContact O-N 3.05Å; F21-K25 HydrophobicContact CE1-CG 4.12Å; F21-K25 HydrophobicContact CE2-CG 4.16Å; F21-K25 HydrophobicContact CZ-CD 4.5Å; F21-K25 HydrophobicContact CZ-CG 3.92Å; F21-K25 WeakPolarHBondContact O-CB 3.35Å; F21-K25 VanDerWaalsContact O-CG 3.31Å; F21-K25 WeakPolarHBondContact O-CG 3.45Å; F21-K25 PolarHBondContact O-N 2.82Å; F21-Y258 HydrophobicContact CB-CD1 3.62Å; F21-Y258 HydrophobicContact CB-CE1 4.25Å; F21-Y258 HydrophobicContact CD1-CD1 4.09Å; F21-Y258 HydrophobicContact CD1-CG 4.46Å; F21-Y258 HydrophobicContact CD2-CD1 4.23Å; F21-Y258 VanDerWaalsContact CE1-C 3.44Å; F21-Y258 WeakPolarHBondContact CE1-O 3.42Å; F21-Y258 AromaticContact CG-CD1 3.72Å; F21-Y258 HydrophobicContact CG-CD1 3.72Å; F21-Y258 HydrophobicContact CG-CG 4.36Å; F21-N259 WeakPolarHBondContact CZ-OD1 3.37Å; F21-W262 HydrophobicContact CE1-CB 3.95Å; F21-W262 HydrophobicContact CZ-CB 4.5Å
22L97.9Very high96.3Very high0 Ų043.8 Ų43.80%026%0.259CS..Hα-helixtrans-67.3-41.4177.4-69.9176000112L18 G19 K20 K25 L26 V73 V75 F261 W262L18-L22 HydrophobicContact CG-CD1 4.49Å; L18-L22 WeakPolarHBondContact O-CG 3.45Å; L18-L22 PolarHBondContact O-N 3.08Å; G19-L22 PolarHBondContact O-N 2.64Å; K20-L22 VanDerWaalsContact C-N 3.3Å; K20-L22 PolarHBondContact O-N 3.08Å; L22-K25 PolarHBondContact O-N 3.44Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 VanDerWaalsContact O-CG 3.24Å; L22-L26 WeakPolarHBondContact O-CG 3.26Å; L22-L26 PolarHBondContact O-N 3.37Å; L22-V73 HydrophobicContact CD1-CG1 4.01Å; L22-V75 HydrophobicContact CD1-CG1 4.17Å; L22-V75 HydrophobicContact CD1-CG2 4.43Å; L22-F261 HydrophobicContact CD2-CB 4.32Å; L22-W262 HydrophobicContact CD2-CB 4.33Å; L22-W262 HydrophobicContact CD2-CE3 4.17Å
23V98.3Very high96.2Very high0 Ų047.4 Ų47.40%028%0.278CS..Hα-helixtrans-63.2-47176.5166.90000110.8V12 Y15 G19 K20 K25 L26 L27 L37 V40 V52V12-V23 HydrophobicContact CB-CG2 4.13Å; V12-V23 HydrophobicContact CG1-CG2 4.08Å; V12-V23 HydrophobicContact CG2-CG2 4.14Å; Y15-V23 HydrophobicContact CD2-CG2 4.17Å; Y15-V23 HydrophobicContact CE2-CB 3.86Å; Y15-V23 HydrophobicContact CE2-CG1 3.97Å; Y15-V23 HydrophobicContact CE2-CG2 3.83Å; G19-V23 WeakPolarHBondContact O-CB 3.42Å; G19-V23 WeakPolarHBondContact O-CG2 3.36Å; G19-V23 PolarHBondContact O-N 3.26Å; K20-V23 PolarHBondContact O-N 2.81Å; K20-V23 VanDerWaalsContact O-N 3.1Å; V23-K25 VanDerWaalsContact C-N 3.33Å; V23-K25 PolarHBondContact O-N 3.24Å; V23-L26 PolarHBondContact O-N 3.1Å; V23-L27 HydrophobicContact CG1-CD1 3.8Å; V23-L27 HydrophobicContact CG1-CG 4.34Å; V23-L27 WeakPolarHBondContact O-CB 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.27Å; V23-L27 PolarHBondContact O-N 3.03Å; V23-L37 HydrophobicContact CG1-CD2 3.84Å; V23-L37 HydrophobicContact CG2-CD1 4.45Å; V23-L37 HydrophobicContact CG2-CD2 4.41Å; V23-V40 HydrophobicContact CG1-CG2 4.26Å; V23-V40 HydrophobicContact CG2-CG1 4.07Å; V23-V40 HydrophobicContact CG2-CG2 3.59Å; V23-V52 HydrophobicContact CG1-CG2 4.24Å
24D97.5Very high96Very high67 Ų6747.9 Ų47.936%0.35828%0.283SS..Hα-helixtrans-57.8-47.4176.7-61.6-21.2000110.1K20 L26 L27 E28K20-D24 PolarHBondContact O-N 3.32Å; D24-L26 PolarHBondContact O-N 3.42Å; D24-L27 PolarHBondContact O-N 3.43Å; D24-E28 WeakPolarHBondContact O-CB 3.36Å; D24-E28 VanDerWaalsContact O-CG 3.28Å; D24-E28 WeakPolarHBondContact O-CG 3.45Å; D24-E28 PolarHBondContact O-N 3.41Å
25K97.6Very high96Very high64 Ų6448 Ų4828%0.27828%0.284SS..Hα-helixtrans-61.6-39.9176.3-74.9-66.1178.8-160.70113.7F21 L22 V23 A29 G30 W262F21-K25 HydrophobicContact CE1-CG 4.12Å; F21-K25 HydrophobicContact CE2-CG 4.16Å; F21-K25 HydrophobicContact CZ-CD 4.5Å; F21-K25 HydrophobicContact CZ-CG 3.92Å; F21-K25 WeakPolarHBondContact O-CB 3.35Å; F21-K25 VanDerWaalsContact O-CG 3.31Å; F21-K25 WeakPolarHBondContact O-CG 3.45Å; F21-K25 PolarHBondContact O-N 2.82Å; L22-K25 PolarHBondContact O-N 3.44Å; V23-K25 VanDerWaalsContact C-N 3.33Å; V23-K25 PolarHBondContact O-N 3.24Å; K25-A29 PolarHBondContact O-N 3.01Å; K25-G30 PolarHBondContact O-N 2.92Å; K25-G30 VanDerWaalsContact O-N 3.12Å; K25-W262 HydrophobicContact CB-CD2 3.96Å; K25-W262 HydrophobicContact CB-CE3 3.69Å; K25-W262 HydrophobicContact CB-CH2 3.82Å; K25-W262 HydrophobicContact CB-CZ2 4.05Å; K25-W262 HydrophobicContact CB-CZ3 3.64Å; K25-W262 HydrophobicContact CG-CD2 4.24Å; K25-W262 HydrophobicContact CG-CE3 4.37Å
26L97.7Very high96Very high6 Ų650.5 Ų50.53%0.03130%0.299CS..Iπ-helixtrans-66.4-39.7176.9-75165.9000111.8V10 V12 L22 V23 D24 G30 L35 L37 W262 L265V10-L26 HydrophobicContact CB-CD1 4.1Å; V10-L26 HydrophobicContact CB-CD2 4.26Å; V10-L26 HydrophobicContact CG1-CD1 3.96Å; V10-L26 HydrophobicContact CG2-CD2 4.1Å; V12-L26 HydrophobicContact CG2-CD1 3.83Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 VanDerWaalsContact O-CG 3.24Å; L22-L26 WeakPolarHBondContact O-CG 3.26Å; L22-L26 PolarHBondContact O-N 3.37Å; V23-L26 PolarHBondContact O-N 3.1Å; D24-L26 PolarHBondContact O-N 3.42Å; L26-G30 VanDerWaalsContact O-CA 3.28Å; L26-G30 WeakPolarHBondContact O-CA 3.19Å; L26-G30 PolarHBondContact O-N 3.24Å; L26-G30 VanDerWaalsContact O-N 3.15Å; L26-L35 HydrophobicContact CD2-CB 3.84Å; L26-L35 HydrophobicContact CD2-CD1 3.99Å; L26-L37 HydrophobicContact CB-CB 4.25Å; L26-L37 HydrophobicContact CD1-CD1 3.79Å; L26-W262 HydrophobicContact CD2-CH2 4.28Å; L26-W262 HydrophobicContact CD2-CZ3 3.95Å; L26-W262 HydrophobicContact CG-CZ3 3.99Å; L26-L265 HydrophobicContact CD1-CD2 4.42Å; L26-L265 HydrophobicContact CD2-CD2 4.24Å
27L96.6Very high96.2Very high82 Ų8249.2 Ų49.243%0.42928%0.284SS..Iπ-helixtrans-72.4-42178.9-69.4173.8000112.3V23 D24 L37 L56V23-L27 HydrophobicContact CG1-CD1 3.8Å; V23-L27 HydrophobicContact CG1-CG 4.34Å; V23-L27 WeakPolarHBondContact O-CB 3.29Å; V23-L27 WeakPolarHBondContact O-CG 3.27Å; V23-L27 PolarHBondContact O-N 3.03Å; D24-L27 PolarHBondContact O-N 3.43Å; L27-L37 HydrophobicContact CD1-CD2 4.47Å; L27-L37 HydrophobicContact CD2-CD2 3.91Å; L27-L37 HydrophobicContact CG-CD2 4.04Å; L27-L56 HydrophobicContact CD2-CD1 4.27Å
28E96.1Very high96.5Very high150 Ų15042.1 Ų42.170%0.70125%0.251SS*.Iπ-helixtrans-80-44-175.9-69.2173.5179.300113.3D24D24-E28 WeakPolarHBondContact O-CB 3.36Å; D24-E28 VanDerWaalsContact O-CG 3.28Å; D24-E28 WeakPolarHBondContact O-CG 3.45Å; D24-E28 PolarHBondContact O-N 3.41Å
29A93.9Very high96.7Very high42 Ų4241 Ų4135%0.34725%0.245SC..Iπ-helixtrans-125.5-11.4-168.200000113.8K25 A31 G32K25-A29 PolarHBondContact O-N 3.01Å; A29-A31 PolarHBondContact O-N 2.87Å; A29-G32 PolarHBondContact O-N 3.47Å
30G94.3Very high96.8Very high0 Ų041 Ų410%025%0.245CC..Iπ-helixtrans-57.7-44.9-173.900000113K25 L26 G32 L33 G34 L35K25-G30 PolarHBondContact O-N 2.92Å; K25-G30 VanDerWaalsContact O-N 3.12Å; L26-G30 VanDerWaalsContact O-CA 3.28Å; L26-G30 WeakPolarHBondContact O-CA 3.19Å; L26-G30 PolarHBondContact O-N 3.24Å; L26-G30 VanDerWaalsContact O-N 3.15Å; G30-G32 VanDerWaalsContact C-N 3.3Å; G30-G32 PolarHBondContact O-N 3.49Å; G30-L33 CarbonylContact O-C 3.56Å; G30-L33 WeakPolarHBondContact O-CA 2.89Å; G30-L33 PolarHBondContact O-N 3.24Å; G30-G34 PolarHBondContact O-N 3Å; G30-L35 CarbonylContact C-O 3.58Å; G30-L35 PolarHBondContact O-N 2.84Å
31A94.1Very high96.8Very high88 Ų8838.2 Ų38.273%0.72723%0.233SC*.G310 helixtrans-57.9-41.4-177.400000112.5A29 L33 G34 L35A29-A31 PolarHBondContact O-N 2.87Å; A31-L33 PolarHBondContact O-N 3.37Å; A31-G34 PolarHBondContact O-N 3.42Å; A31-L35 PolarHBondContact N-O 3.49Å
32G94.8Very high96.9Very high79 Ų7937.3 Ų37.381%0.81423%0.23SC*.G310 helixtrans-67.7-14.5176.600000114.3A29 G30A29-G32 PolarHBondContact O-N 3.47Å; G30-G32 VanDerWaalsContact C-N 3.3Å; G30-G32 PolarHBondContact O-N 3.49Å
33L94.9Very high96.7Very high76 Ų7648 Ų4840%0.39827%0.27SS..G310 helixtrans-10910.4179.1-59.9169.2000112.2G30 A31 L35 W262 L266 R269G30-L33 CarbonylContact O-C 3.56Å; G30-L33 WeakPolarHBondContact O-CA 2.89Å; G30-L33 PolarHBondContact O-N 3.24Å; A31-L33 PolarHBondContact O-N 3.37Å; L33-L35 VanDerWaalsContact C-N 3.3Å; L33-L35 PolarHBondContact O-N 3.27Å; L33-W262 HydrophobicContact CD1-CH2 4.35Å; L33-W262 HydrophobicContact CD1-CZ2 3.54Å; L33-L266 HydrophobicContact CB-CD2 4.41Å; L33-L266 HydrophobicContact CD1-CD2 3.8Å; L33-R269 PolarHBondContact O-NH2 3.1Å
34G95.9Very high96.5Very high11 Ų1151.4 Ų51.411%0.11329%0.288CS..THydrogen-bonded Turntrans63.536.3-176.600000112.6T7 L8 G30 A31 R269T7-G34 CarbonylContact C-O 3.6Å; T7-G34 WeakPolarHBondContact CA-O 3.28Å; L8-G34 PolarHBondContact N-O 2.83Å; G30-G34 PolarHBondContact O-N 3Å; A31-G34 PolarHBondContact O-N 3.42Å; G34-R269 PolarHBondContact O-NH1 3.34Å
35L97.3Very high96.2Very high2 Ų250.8 Ų50.81%0.0129%0.288CS..EExtended strand (participates in β ladder)trans-119.2141.1172.9-58.7-175.7000110L8 V10 L26 G30 A31 L33 W262 L265 L266L8-L35 HydrophobicContact CB-CD2 3.76Å; L8-L35 HydrophobicContact CD1-CD2 4.19Å; L8-L35 CarbonylContact O-C 3.46Å; L8-L35 WeakPolarHBondContact O-CA 3.15Å; V10-L35 HydrophobicContact CG2-CD2 4.36Å; L26-L35 HydrophobicContact CD2-CB 3.84Å; L26-L35 HydrophobicContact CD2-CD1 3.99Å; G30-L35 CarbonylContact C-O 3.58Å; G30-L35 PolarHBondContact O-N 2.84Å; A31-L35 PolarHBondContact N-O 3.49Å; L33-L35 VanDerWaalsContact C-N 3.3Å; L33-L35 PolarHBondContact O-N 3.27Å; L35-W262 HydrophobicContact CD1-CH2 4.07Å; L35-W262 HydrophobicContact CD1-CZ3 4.29Å; L35-L265 HydrophobicContact CD1-CG 4.46Å; L35-L266 HydrophobicContact CD1-CD2 3.81Å
36V97.4Very high96Very high56 Ų5653.7 Ų53.734%0.33931%0.307SS..EExtended strand (participates in β ladder)trans-133.8134.3175.845.80000109.9T7 L8 R9 V10 G38T7-V36 HydrophobicContact CG2-CB 4.02Å; T7-V36 HydrophobicContact CG2-CG1 3.47Å; T7-V36 VanDerWaalsContact CG2-CG1 3.47Å; L8-V36 PolarHBondContact O-N 3.42Å; R9-V36 CarbonylContact C-O 3.54Å; R9-V36 WeakPolarHBondContact CA-O 3.33Å; R9-V36 HydrophobicContact CB-CG1 4.07Å; R9-V36 HydrophobicContact CG-CG1 4.31Å; V10-V36 PolarHBondContact N-O 3.3Å; V36-G38 PolarHBondContact O-N 2.89Å
37L98.4Very high95.8Very high9 Ų959.1 Ų59.15%0.04733%0.33CS..EExtended strand (participates in β ladder)trans-70.4117.8174.7-174.860.4000109.9V12 V23 L26 L27 V40 L56V12-L37 HydrophobicContact CG2-CD1 3.9Å; V23-L37 HydrophobicContact CG1-CD2 3.84Å; V23-L37 HydrophobicContact CG2-CD1 4.45Å; V23-L37 HydrophobicContact CG2-CD2 4.41Å; L26-L37 HydrophobicContact CB-CB 4.25Å; L26-L37 HydrophobicContact CD1-CD1 3.79Å; L27-L37 HydrophobicContact CD1-CD2 4.47Å; L27-L37 HydrophobicContact CD2-CD2 3.91Å; L27-L37 HydrophobicContact CG-CD2 4.04Å; L37-V40 HydrophobicContact CD1-CG2 3.94Å; L37-V40 HydrophobicContact CD2-CG2 3.73Å; L37-V40 HydrophobicContact CG-CG2 4.18Å; L37-L56 HydrophobicContact CB-CD1 4.29Å; L37-L56 HydrophobicContact CD2-CD1 3.85Å; L37-L56 HydrophobicContact CG-CD1 4.09Å; L37-L56 WeakPolarHBondContact O-CD2 3.48Å
38G98.2Very high95.8Very high0 Ų055.2 Ų55.20%031%0.31CS..EExtended strand (participates in β ladder)trans-91.8-39.8-177.900000113.8R9 V10 V36R9-G38 PolarHBondContact NH2-O 3.44Å; V10-G38 PolarHBondContact O-N 2.57Å; V36-G38 PolarHBondContact O-N 2.89Å
39F98.7Very high95.6Very high0 Ų052.9 Ų52.90%031%0.305CS..EExtended strand (participates in β ladder)trans-162.7163169.272-92.4000111.9G11 V12 V13 W41 L56 L58 L61 F64 R67 C69G11-F39 VanDerWaalsContact CA-CE1 3.49Å; V12-F39 PolarHBondContact N-O 3.04Å; V13-F39 HydrophobicContact CG2-CE2 3.92Å; V13-F39 HydrophobicContact CG2-CZ 4.1Å; F39-W41 HydrophobicContact CD2-CB 4.26Å; F39-W41 HydrophobicContact CE2-CB 4.12Å; F39-L56 CarbonylContact C-O 3.59Å; F39-L56 WeakPolarHBondContact CA-O 3.45Å; F39-L56 WeakPolarHBondContact CB-O 3.33Å; F39-L58 HydrophobicContact CB-CB 4.16Å; F39-L58 HydrophobicContact CD2-CB 3.78Å; F39-L58 HydrophobicContact CD2-CD2 3.63Å; F39-L58 HydrophobicContact CD2-CG 4.3Å; F39-L58 HydrophobicContact CE2-CD2 3.7Å; F39-L58 HydrophobicContact CG-CB 4.23Å; F39-L58 HydrophobicContact CG-CD2 4.17Å; F39-L58 HydrophobicContact CZ-CD2 4.28Å; F39-L61 HydrophobicContact CE2-CD1 4.49Å; F39-F64 HydrophobicContact CE1-CB 4.16Å; F39-F64 HydrophobicContact CZ-CB 3.96Å; F39-R67 HydrophobicContact CB-CB 4.42Å; F39-R67 HydrophobicContact CB-CG 3.92Å; F39-R67 HydrophobicContact CD1-CB 3.62Å; F39-R67 HydrophobicContact CD1-CG 3.76Å; F39-R67 HydrophobicContact CE1-CB 4.35Å; F39-R67 HydrophobicContact CG-CB 4.39Å; F39-R67 HydrophobicContact CG-CG 4.08Å; F39-C69 WeakPolarHBondContact CD1-SG 3.48Å; F39-C69 HydrophobicContact CE1-CB 4.39Å
40V98.7Very high95.5Very high0 Ų054.8 Ų54.80%033%0.33CS..EExtended strand (participates in β ladder)trans-125.8129.6166.3-168.50000109V12 Y15 V23 L37 L48 V52 L56 L58V12-V40 CarbonylContact O-C 3.55Å; V12-V40 WeakPolarHBondContact O-CA 3.36Å; Y15-V40 HydrophobicContact CD2-CG1 3.64Å; Y15-V40 HydrophobicContact CE2-CG1 4.18Å; Y15-V40 HydrophobicContact CG-CG1 4.36Å; V23-V40 HydrophobicContact CG1-CG2 4.26Å; V23-V40 HydrophobicContact CG2-CG1 4.07Å; V23-V40 HydrophobicContact CG2-CG2 3.59Å; L37-V40 HydrophobicContact CD1-CG2 3.94Å; L37-V40 HydrophobicContact CD2-CG2 3.73Å; L37-V40 HydrophobicContact CG-CG2 4.18Å; V40-L48 HydrophobicContact CB-CD2 4.12Å; V40-L48 HydrophobicContact CG1-CD2 3.44Å; V40-L48 VanDerWaalsContact CG1-CD2 3.44Å; V40-V52 HydrophobicContact CB-CG1 4.14Å; V40-V52 HydrophobicContact CG2-CG1 3.72Å; V40-V52 HydrophobicContact CG2-CG2 4.31Å; V40-L56 PolarHBondContact N-O 3.18Å; V40-L58 PolarHBondContact O-N 2.94Å
41W98.6Very high95.5Very high29 Ų2957.9 Ų57.911%0.1135%0.351CS..EExtended strand (participates in β ladder)trans-118.5142.8172.8-178.687.7000110.7V12 V13 G14 F39 R43 L58 E59 L61 I80V12-W41 PolarHBondContact O-N 3.44Å; V13-W41 HydrophobicContact CG1-CD2 4.37Å; V13-W41 HydrophobicContact CG1-CE3 3.48Å; V13-W41 VanDerWaalsContact CG1-CE3 3.48Å; V13-W41 HydrophobicContact CG1-CZ3 3.96Å; G14-W41 PolarHBondContact N-O 3.48Å; F39-W41 HydrophobicContact CD2-CB 4.26Å; F39-W41 HydrophobicContact CE2-CB 4.12Å; W41-R43 HydrophobicContact CH2-CB 3.97Å; W41-R43 HydrophobicContact CZ2-CB 4.34Å; W41-L58 HydrophobicContact CB-CB 4.19Å; W41-L58 HydrophobicContact CB-CD2 4.34Å; W41-E59 PolarHBondContact NE1-O 3.03Å; W41-L61 HydrophobicContact CB-CD1 4.09Å; W41-L61 HydrophobicContact CD2-CB 4Å; W41-L61 HydrophobicContact CD2-CD1 4.11Å; W41-L61 HydrophobicContact CD2-CD2 4.1Å; W41-L61 HydrophobicContact CD2-CG 4.3Å; W41-L61 HydrophobicContact CE3-CD2 4.06Å; W41-L61 HydrophobicContact CG-CB 4.11Å; W41-L61 HydrophobicContact CG-CD1 3.91Å; W41-L61 HydrophobicContact CG-CG 4.46Å; W41-L61 HydrophobicContact CH2-CD2 4.17Å; W41-L61 HydrophobicContact CZ2-CB 4.12Å; W41-L61 HydrophobicContact CZ2-CD2 4.28Å; W41-L61 HydrophobicContact CZ3-CD2 4.07Å; W41-I80 HydrophobicContact CH2-CD1 3.94Å; W41-I80 HydrophobicContact CZ3-CD1 4.07Å; W41-I80 HydrophobicContact CZ3-CG1 4.34Å
42N97.7Very high95.7Very high23 Ų2354.1 Ų54.112%0.12332%0.319CS..  trans-149140.7168.1-173.767.5000109.6Y15 N44 L48Y15-N42 PolarHBondContact N-OD1 3.14Å; Y15-N42 VanDerWaalsContact N-OD1 3.14Å; N42-N44 PolarHBondContact ND2-N 3.41Å; N42-N44 PolarHBondContact ND2-O 3.29Å; N42-N44 CarbonylContact O-C 3.57Å; N42-N44 PolarHBondContact O-N 2.76Å; N42-L48 HydrophobicContact CB-CD1 4.08Å; N42-L48 HydrophobicContact CB-CD2 4.39Å; N42-L48 HydrophobicContact CB-CG 4.24Å
43R94.6Very high95.7Very high223 Ų22352.6 Ų52.684%0.84230%0.295SS*.SBendtrans-50.6-36.8-179.1-174.3176.969.9-1751.4113.7W41 P45W41-R43 HydrophobicContact CH2-CB 3.97Å; W41-R43 HydrophobicContact CZ2-CB 4.34Å; R43-P45 WeakPolarHBondContact O-CD 3.38Å
44N93.8Very high95.8Very high72 Ų7252.8 Ų52.839%0.38531%0.308SS..SBendtrans-104.5103169.8-177.8-10.6000108.8N42 N46 K47N42-N44 PolarHBondContact ND2-N 3.41Å; N42-N44 PolarHBondContact ND2-O 3.29Å; N42-N44 CarbonylContact O-C 3.57Å; N42-N44 PolarHBondContact O-N 2.76Å; N44-N46 PolarHBondContact O-N 2.91Å; N44-N46 WeakPolarHBondContact OD1-CB 3.46Å; N44-N46 PolarHBondContact OD1-N 2.87Å; N44-N46 VanDerWaalsContact OD1-N 3.1Å; N44-K47 HydrophobicContact CB-CG 4.5Å; N44-K47 PolarHBondContact O-N 3.49Å
45P91.7Very high95.8Very high55 Ų5558.4 Ų58.436%0.35733%0.331SS..G310 helixtrans-67.3-24.2-176.126.8-34.5000112.8R43 K47 L48R43-P45 WeakPolarHBondContact O-CD 3.38Å; P45-K47 PolarHBondContact O-N 3.3Å; P45-L48 VanDerWaalsContact O-CB 3.31Å; P45-L48 WeakPolarHBondContact O-CB 3.43Å; P45-L48 PolarHBondContact O-N 3.13Å
46N93.2Very high95.8Very high125 Ų12559.4 Ų59.467%0.66834%0.336SS*.G310 helixtrans-60.7-20.7178.5-62.6-16.2000112.8N44 L48N44-N46 PolarHBondContact O-N 2.91Å; N44-N46 WeakPolarHBondContact OD1-CB 3.46Å; N44-N46 PolarHBondContact OD1-N 2.87Å; N44-N46 VanDerWaalsContact OD1-N 3.1Å; N46-L48 PolarHBondContact O-N 3.27Å
47K93.6Very high95.9Very high119 Ų11958.1 Ų58.152%0.51733%0.327SS..G310 helixtrans-71.5-16.2174-67.7-165.8174.8-174.10114Y15 N44 P45Y15-K47 WeakPolarHBondContact CD1-O 3.31Å; Y15-K47 WeakPolarHBondContact CE1-O 3.39Å; N44-K47 HydrophobicContact CB-CG 4.5Å; N44-K47 PolarHBondContact O-N 3.49Å; P45-K47 PolarHBondContact O-N 3.3Å
48L95.3Very high95.9Very high0 Ų058.1 Ų58.10%033%0.327CS..THydrogen-bonded Turntrans-94.7-31.7-177.4-60.6167.4000111.7Y15 V40 N42 P45 N46 G50 S51 V52 I57Y15-L48 HydrophobicContact CD1-CD2 3.49Å; Y15-L48 VanDerWaalsContact CD1-CD2 3.49Å; Y15-L48 HydrophobicContact CD1-CG 4.38Å; Y15-L48 HydrophobicContact CD2-CD2 3.63Å; Y15-L48 HydrophobicContact CE1-CD2 3.94Å; Y15-L48 HydrophobicContact CE2-CD2 4.07Å; Y15-L48 HydrophobicContact CG-CD2 3.3Å; Y15-L48 HydrophobicContact CG-CG 4.46Å; V40-L48 HydrophobicContact CB-CD2 4.12Å; V40-L48 HydrophobicContact CG1-CD2 3.44Å; V40-L48 VanDerWaalsContact CG1-CD2 3.44Å; N42-L48 HydrophobicContact CB-CD1 4.08Å; N42-L48 HydrophobicContact CB-CD2 4.39Å; N42-L48 HydrophobicContact CB-CG 4.24Å; P45-L48 VanDerWaalsContact O-CB 3.31Å; P45-L48 WeakPolarHBondContact O-CB 3.43Å; P45-L48 PolarHBondContact O-N 3.13Å; N46-L48 PolarHBondContact O-N 3.27Å; L48-G50 PolarHBondContact O-N 3.02Å; L48-S51 PolarHBondContact O-N 2.92Å; L48-V52 HydrophobicContact CB-CB 4.43Å; L48-V52 HydrophobicContact CB-CG2 4.34Å; L48-V52 HydrophobicContact CD2-CG2 3.81Å; L48-V52 PolarHBondContact O-N 2.82Å; L48-I57 HydrophobicContact CB-CD1 3.75Å; L48-I57 HydrophobicContact CB-CG1 3.99Å; L48-I57 HydrophobicContact CD1-CG1 4.41Å; L48-I57 HydrophobicContact CD1-CG2 3.84Å
49V93Very high95.7Very high101 Ų10166.2 Ų66.261%0.61237%0.365SS*.THydrogen-bonded Turntrans-57.2127.8-176.6-179.50000110.3S51V49-S51 PolarHBondContact O-N 3.09Å
50G92.5Very high95.6Very high83 Ų8370.2 Ų70.286%0.85639%0.386SS*.THydrogen-bonded Turntrans79.5-11.7-178.600000115.3L48L48-G50 PolarHBondContact O-N 3.02Å
51S93.9Very high95.6Very high65 Ų6570.4 Ų70.446%0.45539%0.387SS..THydrogen-bonded Turntrans-107.9-27174.7-55.60000113.3Y15 L48 V49Y15-S51 WeakPolarHBondContact OH-CB 3.17Å; L48-S51 PolarHBondContact O-N 2.92Å; V49-S51 PolarHBondContact O-N 3.09Å
52V96.8Very high95.6Very high9 Ų972.4 Ų72.46%0.05541%0.405CS..SBendtrans-120.5136.3179.4-176.50000108.7Y15 V23 V40 L48 A54 L56 I57Y15-V52 HydrophobicContact CE1-CG2 4.18Å; Y15-V52 HydrophobicContact CE2-CG2 3.67Å; Y15-V52 VanDerWaalsContact CZ-CG2 3.47Å; Y15-V52 WeakPolarHBondContact OH-CG2 3.36Å; V23-V52 HydrophobicContact CG1-CG2 4.24Å; V40-V52 HydrophobicContact CB-CG1 4.14Å; V40-V52 HydrophobicContact CG2-CG1 3.72Å; V40-V52 HydrophobicContact CG2-CG2 4.31Å; L48-V52 HydrophobicContact CB-CB 4.43Å; L48-V52 HydrophobicContact CB-CG2 4.34Å; L48-V52 HydrophobicContact CD2-CG2 3.81Å; L48-V52 PolarHBondContact O-N 2.82Å; V52-A54 PolarHBondContact O-N 3.01Å; V52-L56 HydrophobicContact CG1-CB 4Å; V52-I57 HydrophobicContact CB-CD1 4.49Å; V52-I57 HydrophobicContact CB-CG1 4.11Å; V52-I57 HydrophobicContact CG1-CG1 4.05Å
53P96.2Very high95.6Very high46 Ų4672.6 Ų72.630%0.29941%0.408SS..  trans-52.4134.2172.4-25.833.8000111.7E55 L56 I57P53-E55 VanDerWaalsContact CB-CD 3.5Å; P53-E55 WeakPolarHBondContact CB-OE1 3.28Å; P53-E55 WeakPolarHBondContact CB-OE2 3.32Å; P53-E55 PolarHBondContact O-N 2.85Å; P53-L56 HydrophobicContact CB-CD1 4.17Å; P53-L56 HydrophobicContact CB-CG 4.24Å; P53-L56 HydrophobicContact CG-CD1 4.03Å; P53-L56 WeakPolarHBondContact O-CB 3.43Å; P53-L56 PolarHBondContact O-N 3.47Å; P53-I57 PolarHBondContact O-N 3.4Å
54A96.1Very high95.7Very high81 Ų8162.5 Ų62.567%0.66937%0.371SS*.G310 helixtrans-58.2-37.5-170.300000112.4V52 L56 I57V52-A54 PolarHBondContact O-N 3.01Å; A54-L56 PolarHBondContact O-N 3.48Å; A54-I57 PolarHBondContact O-N 2.88Å; A54-I57 VanDerWaalsContact O-N 3.13Å
55E96.4Very high95.9Very high128 Ų12860.9 Ų60.960%0.59837%0.367SS*.G310 helixtrans-66.8-16.1177.871.2-81.6-165.200114P53 R67P53-E55 VanDerWaalsContact CB-CD 3.5Å; P53-E55 WeakPolarHBondContact CB-OE1 3.28Å; P53-E55 WeakPolarHBondContact CB-OE2 3.32Å; P53-E55 PolarHBondContact O-N 2.85Å; E55-R67 PolarHBondContact O-NH1 2.82Å; E55-R67 PolarHBondContact O-NH2 3.05Å
56L97.8Very high96.2Very high24 Ų2466.6 Ų66.613%0.12639%0.387CS..G310 helixtrans-97.4-12.9175.5-60.5-179.3000112.3L27 L37 F39 V40 V52 P53 A54 L58L27-L56 HydrophobicContact CD2-CD1 4.27Å; L37-L56 HydrophobicContact CB-CD1 4.29Å; L37-L56 HydrophobicContact CD2-CD1 3.85Å; L37-L56 HydrophobicContact CG-CD1 4.09Å; L37-L56 WeakPolarHBondContact O-CD2 3.48Å; F39-L56 CarbonylContact C-O 3.59Å; F39-L56 WeakPolarHBondContact CA-O 3.45Å; F39-L56 WeakPolarHBondContact CB-O 3.33Å; V40-L56 PolarHBondContact N-O 3.18Å; V52-L56 HydrophobicContact CG1-CB 4Å; P53-L56 HydrophobicContact CB-CD1 4.17Å; P53-L56 HydrophobicContact CB-CG 4.24Å; P53-L56 HydrophobicContact CG-CD1 4.03Å; P53-L56 WeakPolarHBondContact O-CB 3.43Å; P53-L56 PolarHBondContact O-N 3.47Å; A54-L56 PolarHBondContact O-N 3.48Å; L56-L58 PolarHBondContact O-N 2.78Å
57I98.3Very high96.4Very high29 Ų2963.6 Ų63.615%0.14937%0.366CS..EExtended strand (participates in β ladder)trans-70.3128.9175.8-62.2175.7000108.8L48 V52 P53 A54 R67L48-I57 HydrophobicContact CB-CD1 3.75Å; L48-I57 HydrophobicContact CB-CG1 3.99Å; L48-I57 HydrophobicContact CD1-CG1 4.41Å; L48-I57 HydrophobicContact CD1-CG2 3.84Å; V52-I57 HydrophobicContact CB-CD1 4.49Å; V52-I57 HydrophobicContact CB-CG1 4.11Å; V52-I57 HydrophobicContact CG1-CG1 4.05Å; P53-I57 PolarHBondContact O-N 3.4Å; A54-I57 PolarHBondContact O-N 2.88Å; A54-I57 VanDerWaalsContact O-N 3.13Å; I57-R67 PolarHBondContact O-NH2 2.84Å
58L98.1Very high96.6Very high8 Ų867.9 Ų67.94%0.04238%0.379CS..EExtended strand (participates in β ladder)trans-103120170.1-170.173.1000107.8F39 V40 W41 L56 D60 L61 S63 F64 R67F39-L58 HydrophobicContact CB-CB 4.16Å; F39-L58 HydrophobicContact CD2-CB 3.78Å; F39-L58 HydrophobicContact CD2-CD2 3.63Å; F39-L58 HydrophobicContact CD2-CG 4.3Å; F39-L58 HydrophobicContact CE2-CD2 3.7Å; F39-L58 HydrophobicContact CG-CB 4.23Å; F39-L58 HydrophobicContact CG-CD2 4.17Å; F39-L58 HydrophobicContact CZ-CD2 4.28Å; V40-L58 PolarHBondContact O-N 2.94Å; W41-L58 HydrophobicContact CB-CB 4.19Å; W41-L58 HydrophobicContact CB-CD2 4.34Å; L56-L58 PolarHBondContact O-N 2.78Å; L58-D60 WeakPolarHBondContact CG-O 3.35Å; L58-L61 HydrophobicContact CD2-CD1 4.21Å; L58-S63 WeakPolarHBondContact CD1-OG 3.27Å; L58-F64 HydrophobicContact CD2-CB 3.83Å; L58-R67 HydrophobicContact CD1-CG 4.02Å
59E95.7Very high96.7Very high171 Ų17168.4 Ų68.480%0.79938%0.382SS*.SBendtrans-80.1-51.8-179.5-63.5-177.3179.300111.3W41W41-E59 PolarHBondContact NE1-O 3.03Å
60D96.9Very high97Very high84 Ų8466.9 Ų66.945%0.44937%0.371SS..  trans-104.6115.6177.3176.716.3000110.9L58 S62 S63L58-D60 WeakPolarHBondContact CG-O 3.35Å; D60-S62 VanDerWaalsContact CG-OG 3.28Å; D60-S62 PolarHBondContact O-N 2.84Å; D60-S62 WeakPolarHBondContact OD1-CB 3.45Å; D60-S62 PolarHBondContact OD1-N 3.1Å; D60-S62 PolarHBondContact OD1-OG 3.16Å; D60-S62 PolarHBondContact OD2-OG 3.04Å; D60-S63 WeakPolarHBondContact O-CB 3.48Å; D60-S63 PolarHBondContact O-N 3.11Å; D60-S63 PolarHBondContact O-OG 3.11Å
61L98Very high97.3Very high4 Ų463 Ų632%0.02133%0.33CS..G310 helixtrans-59.7-29.1177.8-171.256000112V13 F39 W41 L58 S63 F64 I80 F84 F88V13-L61 HydrophobicContact CG1-CD1 4.05Å; V13-L61 HydrophobicContact CG1-CD2 3.93Å; V13-L61 HydrophobicContact CG2-CD1 3.97Å; F39-L61 HydrophobicContact CE2-CD1 4.49Å; W41-L61 HydrophobicContact CB-CD1 4.09Å; W41-L61 HydrophobicContact CD2-CB 4Å; W41-L61 HydrophobicContact CD2-CD1 4.11Å; W41-L61 HydrophobicContact CD2-CD2 4.1Å; W41-L61 HydrophobicContact CD2-CG 4.3Å; W41-L61 HydrophobicContact CE3-CD2 4.06Å; W41-L61 HydrophobicContact CG-CB 4.11Å; W41-L61 HydrophobicContact CG-CD1 3.91Å; W41-L61 HydrophobicContact CG-CG 4.46Å; W41-L61 HydrophobicContact CH2-CD2 4.17Å; W41-L61 HydrophobicContact CZ2-CB 4.12Å; W41-L61 HydrophobicContact CZ2-CD2 4.28Å; W41-L61 HydrophobicContact CZ3-CD2 4.07Å; L58-L61 HydrophobicContact CD2-CD1 4.21Å; L61-S63 PolarHBondContact O-N 3.38Å; L61-S63 VanDerWaalsContact O-N 3.13Å; L61-F64 HydrophobicContact CD1-CB 4.41Å; L61-F64 WeakPolarHBondContact O-CB 3.2Å; L61-F64 WeakPolarHBondContact O-CD1 3.47Å; L61-F64 PolarHBondContact O-N 3.24Å; L61-F64 VanDerWaalsContact O-N 3.12Å; L61-I80 HydrophobicContact CD2-CD1 4.29Å; L61-I80 HydrophobicContact CD2-CG2 4.15Å; L61-F84 HydrophobicContact CB-CE1 4.14Å; L61-F84 HydrophobicContact CB-CZ 4.02Å; L61-F84 HydrophobicContact CD2-CD1 4.15Å; L61-F84 HydrophobicContact CD2-CD2 3.67Å; L61-F84 HydrophobicContact CD2-CE1 4.19Å; L61-F84 HydrophobicContact CD2-CE2 3.74Å; L61-F84 HydrophobicContact CD2-CG 3.91Å; L61-F84 HydrophobicContact CD2-CZ 4Å; L61-F84 HydrophobicContact CG-CD1 3.97Å; L61-F84 HydrophobicContact CG-CD2 4.36Å; L61-F84 HydrophobicContact CG-CE1 3.84Å; L61-F84 HydrophobicContact CG-CE2 4.26Å; L61-F84 HydrophobicContact CG-CG 4.24Å; L61-F84 HydrophobicContact CG-CZ 4Å; L61-F88 HydrophobicContact CD1-CE1 4.22Å; L61-F88 HydrophobicContact CD1-CZ 4.12Å; L61-F88 HydrophobicContact CD2-CZ 4.23Å; L61-F88 HydrophobicContact CG-CZ 4.39Å
62S97.6Very high97.5Very high70 Ų7059.9 Ų59.949%0.4931%0.309SS..G310 helixtrans-61.7-22.4177.695.40000113.3D60 F64D60-S62 VanDerWaalsContact CG-OG 3.28Å; D60-S62 PolarHBondContact O-N 2.84Å; D60-S62 WeakPolarHBondContact OD1-CB 3.45Å; D60-S62 PolarHBondContact OD1-N 3.1Å; D60-S62 PolarHBondContact OD1-OG 3.16Å; D60-S62 PolarHBondContact OD2-OG 3.04Å; S62-F64 VanDerWaalsContact C-N 3.35Å
63S97.5Very high97.6Very high27 Ų2759.5 Ų59.519%0.18931%0.306CS..G310 helixtrans-88.74.9179.675.10000114.5L58 D60 L61 A65 K66L58-S63 WeakPolarHBondContact CD1-OG 3.27Å; D60-S63 WeakPolarHBondContact O-CB 3.48Å; D60-S63 PolarHBondContact O-N 3.11Å; D60-S63 PolarHBondContact O-OG 3.11Å; L61-S63 PolarHBondContact O-N 3.38Å; L61-S63 VanDerWaalsContact O-N 3.13Å; S63-A65 PolarHBondContact O-N 2.85Å; S63-A65 VanDerWaalsContact O-N 3.1Å; S63-K66 WeakPolarHBondContact O-CB 3.19Å; S63-K66 PolarHBondContact O-N 3.27Å
64F98.3Very high97.7Very high11 Ų1157.3 Ų57.35%0.04829%0.292CS..G310 helixtrans-53.4-35.5-174.178.8-84.7000113.8F39 L58 L61 S62 K66 R67 I72 K87 F88 E91F39-F64 HydrophobicContact CE1-CB 4.16Å; F39-F64 HydrophobicContact CZ-CB 3.96Å; L58-F64 HydrophobicContact CD2-CB 3.83Å; L61-F64 HydrophobicContact CD1-CB 4.41Å; L61-F64 WeakPolarHBondContact O-CB 3.2Å; L61-F64 WeakPolarHBondContact O-CD1 3.47Å; L61-F64 PolarHBondContact O-N 3.24Å; L61-F64 VanDerWaalsContact O-N 3.12Å; S62-F64 VanDerWaalsContact C-N 3.35Å; F64-K66 PolarHBondContact O-N 2.8Å; F64-K66 VanDerWaalsContact O-N 3.16Å; F64-R67 VanDerWaalsContact O-CB 3.27Å; F64-R67 WeakPolarHBondContact O-CB 3.39Å; F64-R67 PolarHBondContact O-N 3.3Å; F64-I72 HydrophobicContact CD2-CD1 3.39Å; F64-I72 HydrophobicContact CE2-CD1 3.5Å; F64-I72 HydrophobicContact CG-CD1 4.44Å; F64-K87 HydrophobicContact CE1-CB 3.98Å; F64-K87 HydrophobicContact CZ-CB 4.04Å; F64-K87 WeakPolarHBondContact CZ-O 3.44Å; F64-F88 HydrophobicContact CD1-CD1 4.24Å; F64-F88 HydrophobicContact CD1-CE1 4.02Å; F64-F88 AromaticContact CD2-CD1 3.99Å; F64-F88 HydrophobicContact CD2-CD1 3.99Å; F64-F88 HydrophobicContact CD2-CE1 4.21Å; F64-F88 HydrophobicContact CE1-CD1 4.02Å; F64-F88 HydrophobicContact CE1-CE1 4.2Å; F64-F88 AromaticContact CE2-CD1 3.76Å; F64-F88 HydrophobicContact CE2-CD1 3.76Å; F64-F88 HydrophobicContact CE2-CE1 4.38Å; F64-F88 HydrophobicContact CG-CD1 4.24Å; F64-F88 HydrophobicContact CG-CE1 4.04Å; F64-F88 AromaticContact CZ-CD1 3.8Å; F64-F88 HydrophobicContact CZ-CD1 3.8Å; F64-F88 HydrophobicContact CZ-CE1 4.39Å; F64-E91 HydrophobicContact CE2-CB 3.77Å; F64-E91 HydrophobicContact CE2-CG 3.85Å; F64-E91 HydrophobicContact CZ-CB 4.21Å; F64-E91 HydrophobicContact CZ-CG 3.84Å
65A97.9Very high97.7Very high38 Ų3854.3 Ų54.331%0.31427%0.265SS..G310 helixtrans-58.8-30.2-178.700000112.6S63 R67 R68 E91S63-A65 PolarHBondContact O-N 2.85Å; S63-A65 VanDerWaalsContact O-N 3.1Å; A65-R67 PolarHBondContact O-N 3.17Å; A65-R67 VanDerWaalsContact O-N 3.11Å; A65-R68 PolarHBondContact O-N 3.23Å; A65-R68 VanDerWaalsContact O-N 3.1Å; A65-E91 HydrophobicContact CB-CG 3.95Å
66K97.6Very high97.4Very high176 Ų17650.2 Ų50.277%0.76525%0.251SS*.G310 helixtrans-61.9-21.1176.4-61.1-179-176.7175.40112.6S63 F64S63-K66 WeakPolarHBondContact O-CB 3.19Å; S63-K66 PolarHBondContact O-N 3.27Å; F64-K66 PolarHBondContact O-N 2.8Å; F64-K66 VanDerWaalsContact O-N 3.16Å
67R97.5Very high97.2Very high61 Ų6152.9 Ų52.923%0.2326%0.262CS..G310 helixtrans-84.1-11.3-179.7-57.5-62-146161.69.9113.7R9 F39 E55 I57 L58 F64 A65 C69R9-R67 WeakPolarHBondContact CD-O 3.43Å; R9-R67 PolarHBondContact NE-O 2.94Å; F39-R67 HydrophobicContact CB-CB 4.42Å; F39-R67 HydrophobicContact CB-CG 3.92Å; F39-R67 HydrophobicContact CD1-CB 3.62Å; F39-R67 HydrophobicContact CD1-CG 3.76Å; F39-R67 HydrophobicContact CE1-CB 4.35Å; F39-R67 HydrophobicContact CG-CB 4.39Å; F39-R67 HydrophobicContact CG-CG 4.08Å; E55-R67 PolarHBondContact O-NH1 2.82Å; E55-R67 PolarHBondContact O-NH2 3.05Å; I57-R67 PolarHBondContact O-NH2 2.84Å; L58-R67 HydrophobicContact CD1-CG 4.02Å; F64-R67 VanDerWaalsContact O-CB 3.27Å; F64-R67 WeakPolarHBondContact O-CB 3.39Å; F64-R67 PolarHBondContact O-N 3.3Å; A65-R67 PolarHBondContact O-N 3.17Å; A65-R67 VanDerWaalsContact O-N 3.11Å; R67-C69 VanDerWaalsContact C-N 3.32Å; R67-C69 PolarHBondContact O-N 2.73Å
68R96.8Very high97Very high210 Ų21051.6 Ų51.679%0.79226%0.256SS*.  trans49.248.4175.5-58.7-177.2177.3176.3-0.9113.2R9 A65R9-R68 WeakPolarHBondContact CD-O 3.4Å; A65-R68 PolarHBondContact O-N 3.23Å; A65-R68 VanDerWaalsContact O-N 3.1Å
69C98.3Very high96.9Very high11 Ų1154.8 Ų54.87%0.07427%0.27CS..  trans-76.4143.4174.9-69.20000110.7R9 G11 F39 R67 I72 A92R9-C69 CarbonylContact O-C 3.57Å; R9-C69 WeakPolarHBondContact O-CA 3.38Å; R9-C69 WeakPolarHBondContact O-CB 3.45Å; G11-C69 PolarHBondContact N-SG 2.86Å; G11-C69 VanDerWaalsContact N-SG 3.43Å; F39-C69 WeakPolarHBondContact CD1-SG 3.48Å; F39-C69 HydrophobicContact CE1-CB 4.39Å; R67-C69 VanDerWaalsContact C-N 3.32Å; R67-C69 PolarHBondContact O-N 2.73Å; C69-I72 HydrophobicContact CB-CG1 4.4Å; C69-A92 VanDerWaalsContact O-CB 3.27Å; C69-A92 WeakPolarHBondContact O-CB 3.25Å
70D98.3Very high97Very high68 Ų6847.6 Ų47.636%0.36424%0.237SC..SBendtrans-82.3-31.9174.4-55.2-66000111.5L8 R9 H93L8-D70 WeakPolarHBondContact CA-OD2 3.34Å; L8-D70 HydrophobicContact CD2-CB 3.53Å; R9-D70 PolarHBondContact N-OD2 3.37Å; R9-D70 PolarHBondContact O-N 2.95Å; D70-H93 WeakPolarHBondContact O-CB 3.28Å; D70-H93 PolarHBondContact O-N 3.1Å
71V98.5Very high97.1Very high1 Ų143.6 Ų43.61%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-131.8134.1177.9-1730000109.4L8 R9 V10 G11 V73 H93 L265 C268L8-V71 HydrophobicContact CD1-CG2 4.46Å; R9-V71 PolarHBondContact O-N 3.46Å; V10-V71 CarbonylContact C-O 3.51Å; V10-V71 WeakPolarHBondContact CA-O 3.34Å; G11-V71 PolarHBondContact N-O 2.86Å; V71-V73 HydrophobicContact CG1-CG2 4.2Å; V71-H93 CarbonylContact C-O 3.55Å; V71-H93 WeakPolarHBondContact CA-O 3.36Å; V71-H93 HydrophobicContact CG1-CB 4.49Å; V71-H93 HydrophobicContact CG2-CB 4.2Å; V71-L265 HydrophobicContact CG1-CD1 4.16Å; V71-C268 HydrophobicContact CG1-CB 3.93Å; V71-C268 HydrophobicContact CG2-CB 3.97Å; V71-C268 WeakPolarHBondContact CG2-O 3.34Å
72I98.8Very high97.1Very high1 Ų147.9 Ų47.91%0.00523%0.232CC..EExtended strand (participates in β ladder)trans-111.1127.2169.2-62.7171.3000108.1G11 V13 F64 C69 F88 A92 H93 M95G11-I72 CarbonylContact O-C 3.46Å; G11-I72 WeakPolarHBondContact O-CA 3.42Å; V13-I72 HydrophobicContact CG2-CG2 3.7Å; F64-I72 HydrophobicContact CD2-CD1 3.39Å; F64-I72 HydrophobicContact CE2-CD1 3.5Å; F64-I72 HydrophobicContact CG-CD1 4.44Å; C69-I72 HydrophobicContact CB-CG1 4.4Å; I72-F88 HydrophobicContact CB-CG 4.41Å; I72-F88 HydrophobicContact CD1-CB 3.96Å; I72-F88 HydrophobicContact CD1-CD1 3.43Å; I72-F88 VanDerWaalsContact CD1-CD1 3.43Å; I72-F88 HydrophobicContact CD1-CE1 4.1Å; I72-F88 HydrophobicContact CD1-CG 3.85Å; I72-F88 HydrophobicContact CG2-CD1 4.11Å; I72-F88 HydrophobicContact CG2-CD2 3.97Å; I72-F88 HydrophobicContact CG2-CE1 4.16Å; I72-F88 HydrophobicContact CG2-CE2 4.02Å; I72-F88 HydrophobicContact CG2-CG 4.01Å; I72-F88 HydrophobicContact CG2-CZ 4.11Å; I72-A92 HydrophobicContact CD1-CB 3.88Å; I72-A92 HydrophobicContact CG1-CB 3.87Å; I72-H93 PolarHBondContact N-O 2.94Å; I72-M95 PolarHBondContact O-N 3.23Å
73V98.6Very high97.1Very high0 Ų048.2 Ų48.20%023%0.228CC..EExtended strand (participates in β ladder)trans-110.3115.4177-174.20000108.9V10 G11 V13 L22 V71 V75 M95 L265V10-V73 HydrophobicContact CG1-CG2 3.93Å; G11-V73 PolarHBondContact O-N 3.19Å; V13-V73 PolarHBondContact N-O 3.19Å; L22-V73 HydrophobicContact CD1-CG1 4.01Å; V71-V73 HydrophobicContact CG1-CG2 4.2Å; V73-V75 HydrophobicContact CG1-CG1 4.08Å; V73-M95 HydrophobicContact CB-CB 4.43Å; V73-M95 HydrophobicContact CB-SD 4.48Å; V73-M95 HydrophobicContact CG1-CB 4.32Å; V73-M95 HydrophobicContact CG1-CG 4.23Å; V73-M95 HydrophobicContact CG1-SD 3.82Å; V73-M95 HydrophobicContact CG2-CB 4.12Å; V73-M95 HydrophobicContact CG2-SD 3.94Å; V73-L265 HydrophobicContact CG2-CD1 3.58Å; V73-L265 HydrophobicContact CG2-CD2 4.41Å
74E98.2Very high97.1Very high0 Ų048.4 Ų48.40%023%0.226CC..EExtended strand (participates in β ladder)trans-94.1125.6173.2179.9-78.3133.100109.7C76 H77 I80 V81 F94 M95 G97 S98E74-C76 PolarHBondContact OE1-N 2.9Å; E74-C76 PolarHBondContact OE1-SG 3.22Å; E74-H77 PolarHBondContact OE1-N 2.97Å; E74-I80 HydrophobicContact CG-CB 4.17Å; E74-I80 HydrophobicContact CG-CG2 3.86Å; E74-V81 HydrophobicContact CG-CG2 4.22Å; E74-V81 VanDerWaalsContact OE2-CG2 3.3Å; E74-V81 WeakPolarHBondContact OE2-CG2 3.25Å; E74-F94 HydrophobicContact CB-CE2 3.63Å; E74-F94 HydrophobicContact CB-CZ 4.12Å; E74-M95 PolarHBondContact N-O 2.91Å; E74-G97 WeakPolarHBondContact O-CA 3.46Å; E74-G97 PolarHBondContact O-N 3.32Å; E74-G97 PolarHBondContact OE2-N 2.99Å; E74-S98 PolarHBondContact OE1-OG 3.5Å; E74-S98 WeakPolarHBondContact OE2-CB 3.38Å; E74-S98 PolarHBondContact OE2-N 2.92Å; E74-S98 PolarHBondContact OE2-OG 3.24Å; E74-S98 VanDerWaalsContact OE2-OG 3.12Å
75V96.4Very high97.2Very high18 Ų1847.9 Ų47.911%0.10922%0.223CC..  trans-142.845.4177.8-73.90000110.6V12 V13 L18 L22 V73 F261V12-V75 HydrophobicContact CG1-CG2 4.33Å; V13-V75 PolarHBondContact O-N 3.1Å; L18-V75 HydrophobicContact CD2-CB 4.06Å; L18-V75 HydrophobicContact CD2-CG1 3.59Å; L18-V75 HydrophobicContact CG-CB 4.29Å; L18-V75 HydrophobicContact CG-CG1 4.01Å; L22-V75 HydrophobicContact CD1-CG1 4.17Å; L22-V75 HydrophobicContact CD1-CG2 4.43Å; V73-V75 HydrophobicContact CG1-CG1 4.08Å; V75-F261 HydrophobicContact CG1-CD1 3.86Å; V75-F261 HydrophobicContact CG1-CE1 3.63Å
76C91.3Very high97.2Very high43 Ų4349.4 Ų49.429%0.29123%0.226SC..SBendtrans-125.9-58.6-178.653.60000114.7V13 E74 I80V13-C76 PolarHBondContact O-SG 3.46Å; V13-C76 VanDerWaalsContact O-SG 3.4Å; E74-C76 PolarHBondContact OE1-N 2.9Å; E74-C76 PolarHBondContact OE1-SG 3.22Å; C76-I80 WeakPolarHBondContact SG-CG1 3.11Å
77H93.2Very high97.3Very high79 Ų7946.2 Ų46.237%0.36621%0.212SC..  trans-165.6143.2-174-161.6-99.9000112.5E74 Q79 I80E74-H77 PolarHBondContact OE1-N 2.97Å; H77-Q79 VanDerWaalsContact ND1-CB 3.27Å; H77-Q79 WeakPolarHBondContact ND1-CB 3.31Å; H77-Q79 PolarHBondContact ND1-N 2.84Å; H77-Q79 VanDerWaalsContact ND1-N 3.16Å; H77-Q79 PolarHBondContact O-N 2.66Å; H77-I80 PolarHBondContact O-N 2.94Å
78P94.5Very high97.3Very high3 Ų343.3 Ų43.32%0.01920%0.201CC..Hα-helixtrans-51.2-29174-30.235.1000115I80 V81 R82 S100 P190P78-I80 VanDerWaalsContact C-N 3.31Å; P78-I80 PolarHBondContact O-N 3.39Å; P78-V81 WeakPolarHBondContact O-CB 3.31Å; P78-V81 PolarHBondContact O-N 3.29Å; P78-R82 PolarHBondContact O-N 2.95Å; P78-S100 WeakPolarHBondContact CG-OG 3.38Å; P78-P190 HydrophobicContact CG-CB 3.84Å
79Q95.4Very high97.4Very high74 Ų7433.3 Ų33.335%0.34616%0.163SC..Hα-helixtrans-63.6-36.1178.7-168.758.936.400112.4H77 V81 R82 D83H77-Q79 VanDerWaalsContact ND1-CB 3.27Å; H77-Q79 WeakPolarHBondContact ND1-CB 3.31Å; H77-Q79 PolarHBondContact ND1-N 2.84Å; H77-Q79 VanDerWaalsContact ND1-N 3.16Å; H77-Q79 PolarHBondContact O-N 2.66Å; Q79-V81 VanDerWaalsContact C-N 3.26Å; Q79-V81 PolarHBondContact O-N 2.91Å; Q79-R82 WeakPolarHBondContact O-CB 3.33Å; Q79-R82 PolarHBondContact O-N 3.2Å; Q79-R82 VanDerWaalsContact O-N 3.14Å; Q79-R82 VanDerWaalsContact OE1-NH1 3.16Å; Q79-D83 WeakPolarHBondContact CG-OD2 3.42Å; Q79-D83 PolarHBondContact NE2-OD1 3.15Å; Q79-D83 PolarHBondContact NE2-OD2 3.22Å; Q79-D83 VanDerWaalsContact O-CG 3.25Å; Q79-D83 PolarHBondContact O-N 2.8Å
80I97.8Very high97.4Very high20 Ų2034.6 Ų34.610%0.10317%0.172CC..Hα-helixtrans-66-34.2176.5-65.4-54.2000111V13 W41 L61 E74 C76 H77 P78 R82 D83 F84 F88V13-I80 HydrophobicContact CG1-CG2 3.79Å; W41-I80 HydrophobicContact CH2-CD1 3.94Å; W41-I80 HydrophobicContact CZ3-CD1 4.07Å; W41-I80 HydrophobicContact CZ3-CG1 4.34Å; L61-I80 HydrophobicContact CD2-CD1 4.29Å; L61-I80 HydrophobicContact CD2-CG2 4.15Å; E74-I80 HydrophobicContact CG-CB 4.17Å; E74-I80 HydrophobicContact CG-CG2 3.86Å; C76-I80 WeakPolarHBondContact SG-CG1 3.11Å; H77-I80 PolarHBondContact O-N 2.94Å; P78-I80 VanDerWaalsContact C-N 3.31Å; P78-I80 PolarHBondContact O-N 3.39Å; I80-R82 VanDerWaalsContact C-N 3.33Å; I80-R82 PolarHBondContact O-N 2.89Å; I80-D83 PolarHBondContact O-N 2.98Å; I80-F84 WeakPolarHBondContact O-CB 3.46Å; I80-F84 PolarHBondContact O-N 3.07Å; I80-F88 HydrophobicContact CG2-CE2 4.14Å; I80-F88 HydrophobicContact CG2-CZ 4.34Å
81V98.1Very high97.4Very high0 Ų035.9 Ų35.90%018%0.176CC..Hα-helixtrans-62.4-42.3173.5-169.80000110.8E74 P78 Q79 G85 F94 V96 S101 L111E74-V81 HydrophobicContact CG-CG2 4.22Å; E74-V81 VanDerWaalsContact OE2-CG2 3.3Å; E74-V81 WeakPolarHBondContact OE2-CG2 3.25Å; P78-V81 WeakPolarHBondContact O-CB 3.31Å; P78-V81 PolarHBondContact O-N 3.29Å; Q79-V81 VanDerWaalsContact C-N 3.26Å; Q79-V81 PolarHBondContact O-N 2.91Å; V81-G85 VanDerWaalsContact O-CA 3.23Å; V81-G85 WeakPolarHBondContact O-CA 3.3Å; V81-G85 PolarHBondContact O-N 3.46Å; V81-F94 HydrophobicContact CG1-CE1 3.93Å; V81-F94 HydrophobicContact CG1-CZ 4.07Å; V81-F94 HydrophobicContact CG2-CZ 4.31Å; V81-V96 HydrophobicContact CB-CG1 4.31Å; V81-V96 HydrophobicContact CG1-CG1 3.72Å; V81-V96 HydrophobicContact CG2-CG1 3.59Å; V81-S101 WeakPolarHBondContact CB-OG 3.45Å; V81-S101 WeakPolarHBondContact CG1-OG 3.47Å; V81-L111 HydrophobicContact CG1-CD1 4Å
82R97.9Very high97.4Very high94 Ų9436 Ų3636%0.35518%0.177SC..Hα-helixtrans-63.7-48.4175.8-67.9-176.8-171.3107.74.2112.3P78 Q79 I80 L107P78-R82 PolarHBondContact O-N 2.95Å; Q79-R82 WeakPolarHBondContact O-CB 3.33Å; Q79-R82 PolarHBondContact O-N 3.2Å; Q79-R82 VanDerWaalsContact O-N 3.14Å; Q79-R82 VanDerWaalsContact OE1-NH1 3.16Å; I80-R82 VanDerWaalsContact C-N 3.33Å; I80-R82 PolarHBondContact O-N 2.89Å; R82-L107 HydrophobicContact CG-CD2 3.64Å
83D98.2Very high97.4Very high78 Ų7837.4 Ų37.442%0.41718%0.184SC..Hα-helixtrans-78.1-31.8-170.2-63.1-14.9000112.9Q79 I80Q79-D83 WeakPolarHBondContact CG-OD2 3.42Å; Q79-D83 PolarHBondContact NE2-OD1 3.15Å; Q79-D83 PolarHBondContact NE2-OD2 3.22Å; Q79-D83 VanDerWaalsContact O-CG 3.25Å; Q79-D83 PolarHBondContact O-N 2.8Å; I80-D83 PolarHBondContact O-N 2.98Å
84F98.7Very high97.4Very high31 Ų3137.4 Ų37.414%0.13618%0.184CC..Hα-helixtrans-125.5-13.7-171.4-70.8-92.2000115L61 I80 L86 K87 F88L61-F84 HydrophobicContact CB-CE1 4.14Å; L61-F84 HydrophobicContact CB-CZ 4.02Å; L61-F84 HydrophobicContact CD2-CD1 4.15Å; L61-F84 HydrophobicContact CD2-CD2 3.67Å; L61-F84 HydrophobicContact CD2-CE1 4.19Å; L61-F84 HydrophobicContact CD2-CE2 3.74Å; L61-F84 HydrophobicContact CD2-CG 3.91Å; L61-F84 HydrophobicContact CD2-CZ 4Å; L61-F84 HydrophobicContact CG-CD1 3.97Å; L61-F84 HydrophobicContact CG-CD2 4.36Å; L61-F84 HydrophobicContact CG-CE1 3.84Å; L61-F84 HydrophobicContact CG-CE2 4.26Å; L61-F84 HydrophobicContact CG-CG 4.24Å; L61-F84 HydrophobicContact CG-CZ 4Å; I80-F84 WeakPolarHBondContact O-CB 3.46Å; I80-F84 PolarHBondContact O-N 3.07Å; F84-L86 VanDerWaalsContact C-N 3.31Å; F84-L86 PolarHBondContact O-N 3.43Å; F84-K87 HydrophobicContact CD1-CD 4.14Å; F84-K87 CarbonylContact O-C 3.51Å; F84-K87 WeakPolarHBondContact O-CA 3.3Å; F84-K87 WeakPolarHBondContact O-CB 3.35Å; F84-K87 PolarHBondContact O-N 3.1Å; F84-F88 HydrophobicContact CB-CD1 4.2Å; F84-F88 HydrophobicContact CB-CD2 4.11Å; F84-F88 HydrophobicContact CB-CE1 3.71Å; F84-F88 HydrophobicContact CB-CE2 3.61Å; F84-F88 HydrophobicContact CB-CG 4.4Å; F84-F88 HydrophobicContact CB-CZ 3.39Å; F84-F88 HydrophobicContact CD1-CE1 4.25Å; F84-F88 HydrophobicContact CD1-CZ 4.46Å; F84-F88 HydrophobicContact CG-CE1 4.29Å; F84-F88 HydrophobicContact CG-CZ 4.09Å; F84-F88 WeakPolarHBondContact O-CG 3.2Å; F84-F88 PolarHBondContact O-N 3.09Å
85G98.5Very high97.4Very high0 Ų037.4 Ų37.40%018%0.184CC..Hα-helixtrans-57-40.1-172.200000114.3V81 F88 L89 F94 L111V81-G85 VanDerWaalsContact O-CA 3.23Å; V81-G85 WeakPolarHBondContact O-CA 3.3Å; V81-G85 PolarHBondContact O-N 3.46Å; G85-F88 PolarHBondContact O-N 3.18Å; G85-L89 PolarHBondContact O-N 3.33Å; G85-L89 VanDerWaalsContact O-N 3.07Å; G85-F94 VanDerWaalsContact CA-CE1 3.5Å; G85-L111 VanDerWaalsContact C-CD2 3.46Å
86L98.7Very high97.5Very high70 Ų7036.6 Ų36.637%0.36618%0.179SC..Hα-helixtrans-66.1-40.6174.5-63.8174.4000112.3F84 L89 S90 K110 L111 A114F84-L86 VanDerWaalsContact C-N 3.31Å; F84-L86 PolarHBondContact O-N 3.43Å; L86-L89 PolarHBondContact O-N 2.8Å; L86-S90 PolarHBondContact O-N 3.12Å; L86-K110 HydrophobicContact CD1-CB 4.34Å; L86-K110 HydrophobicContact CD2-CB 3.92Å; L86-K110 WeakPolarHBondContact CD2-O 3.28Å; L86-L111 HydrophobicContact CD2-CD2 3.93Å; L86-L111 HydrophobicContact CD2-CG 4.36Å; L86-L111 HydrophobicContact CG-CD2 4.3Å; L86-A114 HydrophobicContact CD2-CB 3.75Å
87K98.6Very high97.8Very high108 Ų10834.7 Ų34.747%0.4717%0.166SC..Hα-helixtrans-66.7-39.7176.6-60.1175.5-177.3168.40110.9F64 F84 L89 S90 E91F64-K87 HydrophobicContact CE1-CB 3.98Å; F64-K87 HydrophobicContact CZ-CB 4.04Å; F64-K87 WeakPolarHBondContact CZ-O 3.44Å; F84-K87 HydrophobicContact CD1-CD 4.14Å; F84-K87 CarbonylContact O-C 3.51Å; F84-K87 WeakPolarHBondContact O-CA 3.3Å; F84-K87 WeakPolarHBondContact O-CB 3.35Å; F84-K87 PolarHBondContact O-N 3.1Å; K87-L89 PolarHBondContact O-N 2.96Å; K87-S90 PolarHBondContact O-N 2.85Å; K87-S90 VanDerWaalsContact O-N 3.14Å; K87-S90 PolarHBondContact O-OG 3.24Å; K87-E91 PolarHBondContact O-N 2.82Å
88F98.8Very high97.9Very high0 Ų031.1 Ų31.10%015%0.15CC..Hα-helixtrans-59.6-48.2174.6-64.2-25.2000110.7V13 L61 F64 I72 I80 F84 G85 S90 E91 A92 F94V13-F88 HydrophobicContact CG2-CZ 4Å; L61-F88 HydrophobicContact CD1-CE1 4.22Å; L61-F88 HydrophobicContact CD1-CZ 4.12Å; L61-F88 HydrophobicContact CD2-CZ 4.23Å; L61-F88 HydrophobicContact CG-CZ 4.39Å; F64-F88 HydrophobicContact CD1-CD1 4.24Å; F64-F88 HydrophobicContact CD1-CE1 4.02Å; F64-F88 AromaticContact CD2-CD1 3.99Å; F64-F88 HydrophobicContact CD2-CD1 3.99Å; F64-F88 HydrophobicContact CD2-CE1 4.21Å; F64-F88 HydrophobicContact CE1-CD1 4.02Å; F64-F88 HydrophobicContact CE1-CE1 4.2Å; F64-F88 AromaticContact CE2-CD1 3.76Å; F64-F88 HydrophobicContact CE2-CD1 3.76Å; F64-F88 HydrophobicContact CE2-CE1 4.38Å; F64-F88 HydrophobicContact CG-CD1 4.24Å; F64-F88 HydrophobicContact CG-CE1 4.04Å; F64-F88 AromaticContact CZ-CD1 3.8Å; F64-F88 HydrophobicContact CZ-CD1 3.8Å; F64-F88 HydrophobicContact CZ-CE1 4.39Å; I72-F88 HydrophobicContact CB-CG 4.41Å; I72-F88 HydrophobicContact CD1-CB 3.96Å; I72-F88 HydrophobicContact CD1-CD1 3.43Å; I72-F88 VanDerWaalsContact CD1-CD1 3.43Å; I72-F88 HydrophobicContact CD1-CE1 4.1Å; I72-F88 HydrophobicContact CD1-CG 3.85Å; I72-F88 HydrophobicContact CG2-CD1 4.11Å; I72-F88 HydrophobicContact CG2-CD2 3.97Å; I72-F88 HydrophobicContact CG2-CE1 4.16Å; I72-F88 HydrophobicContact CG2-CE2 4.02Å; I72-F88 HydrophobicContact CG2-CG 4.01Å; I72-F88 HydrophobicContact CG2-CZ 4.11Å; I80-F88 HydrophobicContact CG2-CE2 4.14Å; I80-F88 HydrophobicContact CG2-CZ 4.34Å; F84-F88 HydrophobicContact CB-CD1 4.2Å; F84-F88 HydrophobicContact CB-CD2 4.11Å; F84-F88 HydrophobicContact CB-CE1 3.71Å; F84-F88 HydrophobicContact CB-CE2 3.61Å; F84-F88 HydrophobicContact CB-CG 4.4Å; F84-F88 HydrophobicContact CB-CZ 3.39Å; F84-F88 HydrophobicContact CD1-CE1 4.25Å; F84-F88 HydrophobicContact CD1-CZ 4.46Å; F84-F88 HydrophobicContact CG-CE1 4.29Å; F84-F88 HydrophobicContact CG-CZ 4.09Å; F84-F88 WeakPolarHBondContact O-CG 3.2Å; F84-F88 PolarHBondContact O-N 3.09Å; G85-F88 PolarHBondContact O-N 3.18Å; F88-S90 PolarHBondContact O-N 2.86Å; F88-E91 PolarHBondContact O-N 2.83Å; F88-A92 PolarHBondContact O-N 2.88Å; F88-F94 HydrophobicContact CB-CB 4.22Å; F88-F94 HydrophobicContact CB-CD1 4.34Å; F88-F94 HydrophobicContact CB-CD2 4.23Å; F88-F94 HydrophobicContact CB-CG 4.02Å; F88-F94 HydrophobicContact CD2-CD1 4.42Å; F88-F94 AromaticContact CD2-CD2 3.8Å; F88-F94 HydrophobicContact CD2-CD2 3.8Å; F88-F94 HydrophobicContact CD2-CE1 4.21Å; F88-F94 AromaticContact CD2-CE2 3.6Å; F88-F94 HydrophobicContact CD2-CE2 3.6Å; F88-F94 HydrophobicContact CD2-CG 4.25Å; F88-F94 AromaticContact CD2-CZ 3.82Å; F88-F94 HydrophobicContact CD2-CZ 3.82Å; F88-F94 HydrophobicContact CE2-CE2 4.13Å; F88-F94 HydrophobicContact CE2-CZ 4.35Å; F88-F94 HydrophobicContact CG-CD2 4.45Å
89L98.7Very high98Very high0 Ų031.1 Ų31.10%015%0.15CC..Hα-helixtrans-65.9-21.8176.1-72.5172.1000113.8G85 L86 K87 E91 A92 F94 L111 A114 H118 R120 L122G85-L89 PolarHBondContact O-N 3.33Å; G85-L89 VanDerWaalsContact O-N 3.07Å; L86-L89 PolarHBondContact O-N 2.8Å; K87-L89 PolarHBondContact O-N 2.96Å; L89-E91 PolarHBondContact O-N 2.94Å; L89-A92 WeakPolarHBondContact CA-O 3.48Å; L89-F94 HydrophobicContact CD2-CB 3.75Å; L89-F94 HydrophobicContact CG-CB 4.02Å; L89-F94 HydrophobicContact CG-CD1 4.34Å; L89-L111 HydrophobicContact CD1-CB 4.31Å; L89-L111 HydrophobicContact CD1-CD2 3.87Å; L89-L111 VanDerWaalsContact CD1-O 3.27Å; L89-L111 WeakPolarHBondContact CD1-O 3.39Å; L89-A114 HydrophobicContact CB-CB 4.2Å; L89-A114 HydrophobicContact CD1-CB 3.97Å; L89-H118 WeakPolarHBondContact O-CB 3.3Å; L89-H118 PolarHBondContact O-CD2 2.93Å; L89-R120 HydrophobicContact CD2-CB 4.25Å; L89-R120 WeakPolarHBondContact O-CD 3.25Å; L89-R120 PolarHBondContact O-NH1 3.26Å; L89-R120 VanDerWaalsContact O-NH1 3.08Å; L89-L122 HydrophobicContact CD1-CD1 4.22Å; L89-L122 HydrophobicContact CD2-CB 4.45Å; L89-L122 HydrophobicContact CD2-CD1 4.44Å
90S98.3Very high98.1Very high38 Ų3827.7 Ų27.727%0.26614%0.135SC..Hα-helixtrans-77.6-6.3172.581.60000113.7L86 K87 F88 R120L86-S90 PolarHBondContact O-N 3.12Å; K87-S90 PolarHBondContact O-N 2.85Å; K87-S90 VanDerWaalsContact O-N 3.14Å; K87-S90 PolarHBondContact O-OG 3.24Å; F88-S90 PolarHBondContact O-N 2.86Å; S90-R120 VanDerWaalsContact C-CZ 3.46Å; S90-R120 VanDerWaalsContact O-CZ 3.3Å; S90-R120 PolarHBondContact O-NH1 3.15Å; S90-R120 PolarHBondContact O-NH2 2.73Å
91E98.4Very high98.1Very high95 Ų9526.8 Ų26.844%0.44413%0.13SC..Hα-helixtrans-129.1-32.1-179.9-61.4-57.1148.400114.4F64 A65 K87 F88 L89 R120F64-E91 HydrophobicContact CE2-CB 3.77Å; F64-E91 HydrophobicContact CE2-CG 3.85Å; F64-E91 HydrophobicContact CZ-CB 4.21Å; F64-E91 HydrophobicContact CZ-CG 3.84Å; A65-E91 HydrophobicContact CB-CG 3.95Å; K87-E91 PolarHBondContact O-N 2.82Å; F88-E91 PolarHBondContact O-N 2.83Å; L89-E91 PolarHBondContact O-N 2.94Å; E91-R120 VanDerWaalsContact O-CZ 3.24Å; E91-R120 PolarHBondContact O-NE 2.91Å; E91-R120 PolarHBondContact O-NH2 3.05Å
92A98.6Very high98.1Very high3 Ų326.8 Ų26.83%0.02513%0.13CC..SBendtrans-148.2165.1-169.700000112.6C69 I72 F88 L89 R120C69-A92 VanDerWaalsContact O-CB 3.27Å; C69-A92 WeakPolarHBondContact O-CB 3.25Å; I72-A92 HydrophobicContact CD1-CB 3.88Å; I72-A92 HydrophobicContact CG1-CB 3.87Å; F88-A92 PolarHBondContact O-N 2.88Å; L89-A92 WeakPolarHBondContact CA-O 3.48Å; A92-R120 WeakPolarHBondContact O-CD 3.49Å
93H98.8Very high98Very high32 Ų3223.3 Ų23.315%0.14812%0.12CC..EExtended strand (participates in β ladder)trans-61.5148159.1-61.6-33.2000110.2D70 V71 I72 R120 T121 Y123 G270D70-H93 WeakPolarHBondContact O-CB 3.28Å; D70-H93 PolarHBondContact O-N 3.1Å; V71-H93 CarbonylContact C-O 3.55Å; V71-H93 WeakPolarHBondContact CA-O 3.36Å; V71-H93 HydrophobicContact CG1-CB 4.49Å; V71-H93 HydrophobicContact CG2-CB 4.2Å; I72-H93 PolarHBondContact N-O 2.94Å; H93-R120 WeakPolarHBondContact ND1-CA 3.33Å; H93-T121 PolarHBondContact ND1-N 3.41Å; H93-T121 VanDerWaalsContact ND1-N 3.11Å; H93-Y123 HydrophobicContact CB-CD2 4.31Å; H93-Y123 HydrophobicContact CB-CE2 3.88Å; H93-G270 WeakPolarHBondContact NE2-CA 3.49Å; H93-G270 PolarHBondContact NE2-N 3.21Å
94F98.8Very high98Very high0 Ų022.4 Ų22.40%012%0.115CC..EExtended strand (participates in β ladder)trans-127.8119-174.2178.6-149.3000111.1E74 V81 G85 F88 L89 V96 T121 L122 Y123E74-F94 HydrophobicContact CB-CE2 3.63Å; E74-F94 HydrophobicContact CB-CZ 4.12Å; V81-F94 HydrophobicContact CG1-CE1 3.93Å; V81-F94 HydrophobicContact CG1-CZ 4.07Å; V81-F94 HydrophobicContact CG2-CZ 4.31Å; G85-F94 VanDerWaalsContact CA-CE1 3.5Å; F88-F94 HydrophobicContact CB-CB 4.22Å; F88-F94 HydrophobicContact CB-CD1 4.34Å; F88-F94 HydrophobicContact CB-CD2 4.23Å; F88-F94 HydrophobicContact CB-CG 4.02Å; F88-F94 HydrophobicContact CD2-CD1 4.42Å; F88-F94 AromaticContact CD2-CD2 3.8Å; F88-F94 HydrophobicContact CD2-CD2 3.8Å; F88-F94 HydrophobicContact CD2-CE1 4.21Å; F88-F94 AromaticContact CD2-CE2 3.6Å; F88-F94 HydrophobicContact CD2-CE2 3.6Å; F88-F94 HydrophobicContact CD2-CG 4.25Å; F88-F94 AromaticContact CD2-CZ 3.82Å; F88-F94 HydrophobicContact CD2-CZ 3.82Å; F88-F94 HydrophobicContact CE2-CE2 4.13Å; F88-F94 HydrophobicContact CE2-CZ 4.35Å; F88-F94 HydrophobicContact CG-CD2 4.45Å; L89-F94 HydrophobicContact CD2-CB 3.75Å; L89-F94 HydrophobicContact CG-CB 4.02Å; L89-F94 HydrophobicContact CG-CD1 4.34Å; F94-V96 HydrophobicContact CD1-CG2 3.86Å; F94-V96 HydrophobicContact CE1-CG2 3.58Å; F94-V96 HydrophobicContact CE2-CG2 4.28Å; F94-V96 HydrophobicContact CG-CG2 4.34Å; F94-V96 HydrophobicContact CZ-CB 4.34Å; F94-V96 HydrophobicContact CZ-CG1 4.32Å; F94-V96 HydrophobicContact CZ-CG2 3.79Å; F94-T121 PolarHBondContact N-O 3.38Å; F94-L122 HydrophobicContact CB-CD1 4.18Å; F94-L122 HydrophobicContact CD1-CD1 3.47Å; F94-L122 VanDerWaalsContact CD1-CD1 3.47Å; F94-L122 HydrophobicContact CE1-CD1 4.14Å; F94-L122 HydrophobicContact CG-CD1 4.09Å; F94-L122 CarbonylContact O-C 3.56Å; F94-L122 WeakPolarHBondContact O-CA 3.33Å; F94-Y123 PolarHBondContact O-N 3.5Å
95M98.6Very high97.9Very high0 Ų025.8 Ų25.80%014%0.14CC..EExtended strand (participates in β ladder)trans-100.1112.8172.7-176.5-177.9177.700110.5I72 V73 E74 G97 Y123 P125 F261 S264 L265I72-M95 PolarHBondContact O-N 3.23Å; V73-M95 HydrophobicContact CB-CB 4.43Å; V73-M95 HydrophobicContact CB-SD 4.48Å; V73-M95 HydrophobicContact CG1-CB 4.32Å; V73-M95 HydrophobicContact CG1-CG 4.23Å; V73-M95 HydrophobicContact CG1-SD 3.82Å; V73-M95 HydrophobicContact CG2-CB 4.12Å; V73-M95 HydrophobicContact CG2-SD 3.94Å; E74-M95 PolarHBondContact N-O 2.91Å; M95-G97 PolarHBondContact O-N 2.98Å; M95-Y123 WeakPolarHBondContact CA-O 3.5Å; M95-P125 HydrophobicContact CE-CB 3.55Å; M95-P125 HydrophobicContact CE-CG 3.75Å; M95-F261 HydrophobicContact CE-CD1 3.77Å; M95-F261 HydrophobicContact CE-CE1 4.33Å; M95-F261 HydrophobicContact CE-CG 4.4Å; M95-S264 VanDerWaalsContact CE-CB 3.43Å; M95-L265 HydrophobicContact SD-CB 4.33Å
96V98Very high97.9Very high0 Ų029.6 Ų29.60%016%0.16CC..EExtended strand (participates in β ladder)trans-90.693.7-174.9-164.30000109.5V81 F94 S98 P99 L122 Y123 P125V81-V96 HydrophobicContact CB-CG1 4.31Å; V81-V96 HydrophobicContact CG1-CG1 3.72Å; V81-V96 HydrophobicContact CG2-CG1 3.59Å; F94-V96 HydrophobicContact CD1-CG2 3.86Å; F94-V96 HydrophobicContact CE1-CG2 3.58Å; F94-V96 HydrophobicContact CE2-CG2 4.28Å; F94-V96 HydrophobicContact CG-CG2 4.34Å; F94-V96 HydrophobicContact CZ-CB 4.34Å; F94-V96 HydrophobicContact CZ-CG1 4.32Å; F94-V96 HydrophobicContact CZ-CG2 3.79Å; V96-S98 PolarHBondContact O-N 3.4Å; V96-P99 WeakPolarHBondContact O-CD 3.39Å; V96-L122 HydrophobicContact CG2-CD1 3.28Å; V96-L122 HydrophobicContact CG2-CG 4.02Å; V96-Y123 PolarHBondContact N-O 2.8Å; V96-P125 WeakPolarHBondContact O-CD 3.47Å
97G96.6Very high97.9Very high3 Ų326.9 Ų26.93%0.03115%0.146CC..SBendtrans-73.2-13.617600000114.1E74 M95 P99 N194E74-G97 WeakPolarHBondContact O-CA 3.46Å; E74-G97 PolarHBondContact O-N 3.32Å; E74-G97 PolarHBondContact OE2-N 2.99Å; M95-G97 PolarHBondContact O-N 2.98Å; G97-P99 WeakPolarHBondContact O-CD 3.42Å; G97-N194 PolarHBondContact O-ND2 3.24Å
98S96.3Very high97.9Very high5 Ų522.8 Ų22.84%0.03513%0.129CC..  trans-109.763.3171.3-54.70000112.5E74 V96 S100 S101E74-S98 PolarHBondContact OE1-OG 3.5Å; E74-S98 WeakPolarHBondContact OE2-CB 3.38Å; E74-S98 PolarHBondContact OE2-N 2.92Å; E74-S98 PolarHBondContact OE2-OG 3.24Å; E74-S98 VanDerWaalsContact OE2-OG 3.12Å; V96-S98 PolarHBondContact O-N 3.4Å; S98-S100 PolarHBondContact O-N 2.82Å; S98-S100 VanDerWaalsContact O-N 3.07Å; S98-S101 PolarHBondContact O-N 2.76Å; S98-S101 VanDerWaalsContact O-N 3.17Å; S98-S101 PolarHBondContact O-OG 3.36Å
99P97.1Very high97.8Very high3 Ų328 Ų282%0.01915%0.154CC..G310 helixtrans-66.6-10.6-175.228.7-36.7000113.8V96 G97 S101 L102 V124 N194 A197V96-P99 WeakPolarHBondContact O-CD 3.39Å; G97-P99 WeakPolarHBondContact O-CD 3.42Å; P99-S101 PolarHBondContact O-N 2.67Å; P99-L102 HydrophobicContact CB-CD1 4.35Å; P99-L102 VanDerWaalsContact O-CB 3.28Å; P99-L102 WeakPolarHBondContact O-CB 3.27Å; P99-L102 WeakPolarHBondContact O-CG 3.42Å; P99-L102 PolarHBondContact O-N 3.13Å; P99-V124 HydrophobicContact CB-CG1 3.81Å; P99-V124 HydrophobicContact CG-CG1 4.25Å; P99-N194 HydrophobicContact CG-CB 4.02Å; P99-N194 WeakPolarHBondContact CG-O 3.38Å; P99-A197 VanDerWaalsContact C-CB 3.48Å; P99-A197 HydrophobicContact CB-CB 3.97Å; P99-A197 HydrophobicContact CG-CB 4.03Å; P99-A197 WeakPolarHBondContact O-CB 3.44Å
100S96.7Very high97.8Very high2 Ų232.2 Ų32.21%0.01417%0.172CC..G310 helixtrans-57.6-25.2170.655.80000113.2P78 S98 L102 S103 P190 N194P78-S100 WeakPolarHBondContact CG-OG 3.38Å; S98-S100 PolarHBondContact O-N 2.82Å; S98-S100 VanDerWaalsContact O-N 3.07Å; S100-L102 PolarHBondContact O-N 3.48Å; S100-S103 WeakPolarHBondContact O-CB 3.44Å; S100-S103 PolarHBondContact O-N 3.1Å; S100-S103 PolarHBondContact O-OG 2.99Å; S100-P190 PolarHBondContact OG-O 3.41Å; S100-N194 PolarHBondContact N-OD1 3.43Å; S100-N194 PolarHBondContact OG-OD1 2.84Å; S100-N194 VanDerWaalsContact OG-OD1 3.1Å
101S97.1Very high97.9Very high0 Ų030.4 Ų30.40%016%0.16CC..G310 helixtrans-57.6-29.8169.854.50000113.6V81 S98 P99 S103 D104 L107V81-S101 WeakPolarHBondContact CB-OG 3.45Å; V81-S101 WeakPolarHBondContact CG1-OG 3.47Å; S98-S101 PolarHBondContact O-N 2.76Å; S98-S101 VanDerWaalsContact O-N 3.17Å; S98-S101 PolarHBondContact O-OG 3.36Å; P99-S101 PolarHBondContact O-N 2.67Å; S101-S103 PolarHBondContact O-N 3.3Å; S101-D104 PolarHBondContact O-N 3.1Å; S101-L107 WeakPolarHBondContact O-CD2 3.16Å
102L97.9Very high97.9Very high0 Ų030.6 Ų30.60%016%0.156CC..G310 helixtrans-76.6-1-177.9-53.4178.7000113.5P99 S100 N108 L111 V124 V201 F208P99-L102 HydrophobicContact CB-CD1 4.35Å; P99-L102 VanDerWaalsContact O-CB 3.28Å; P99-L102 WeakPolarHBondContact O-CB 3.27Å; P99-L102 WeakPolarHBondContact O-CG 3.42Å; P99-L102 PolarHBondContact O-N 3.13Å; S100-L102 PolarHBondContact O-N 3.48Å; L102-N108 HydrophobicContact CB-CB 4.35Å; L102-N108 WeakPolarHBondContact O-CB 3.41Å; L102-N108 PolarHBondContact O-ND2 2.99Å; L102-L111 HydrophobicContact CD2-CD1 3.49Å; L102-L111 VanDerWaalsContact CD2-CD1 3.49Å; L102-V124 HydrophobicContact CD1-CG2 3.89Å; L102-V201 HydrophobicContact CD1-CG2 4.12Å; L102-F208 HydrophobicContact CB-CE2 4Å; L102-F208 HydrophobicContact CB-CZ 3.69Å; L102-F208 WeakPolarHBondContact O-CE2 3.35Å
103S97.4Very high97.9Very high21 Ų2135.5 Ų35.515%0.14718%0.179CC..G310 helixtrans-67.8-25167.458.30000112.7S100 S101 P105 C186 F208S100-S103 WeakPolarHBondContact O-CB 3.44Å; S100-S103 PolarHBondContact O-N 3.1Å; S100-S103 PolarHBondContact O-OG 2.99Å; S101-S103 PolarHBondContact O-N 3.3Å; S103-P105 WeakPolarHBondContact O-CD 3.41Å; S103-C186 WeakPolarHBondContact OG-CB 3.36Å; S103-F208 VanDerWaalsContact CA-CD1 3.45Å
104D97.6Very high97.9Very high60 Ų6034.4 Ų34.432%0.32118%0.175SC..SBendtrans-70.7114.1169.6-178-43.5000108.7S101 D106 L107 N108S101-D104 PolarHBondContact O-N 3.1Å; D104-D106 VanDerWaalsContact C-N 3.33Å; D104-D106 PolarHBondContact O-N 3.28Å; D104-D106 PolarHBondContact OD1-N 2.76Å; D104-L107 HydrophobicContact CB-CB 3.95Å; D104-L107 PolarHBondContact O-N 3.34Å; D104-L107 PolarHBondContact OD1-N 2.98Å; D104-N108 VanDerWaalsContact O-CB 3.22Å; D104-N108 WeakPolarHBondContact O-CB 3.44Å; D104-N108 PolarHBondContact O-N 3.49Å
105P96.8Very high97.9Very high101 Ų10134.4 Ų34.466%0.65618%0.175SC*.Hα-helixtrans-66.5-35-173.426.2-33.6000112.5S103 Q109S103-P105 WeakPolarHBondContact O-CD 3.41Å; P105-Q109 VanDerWaalsContact O-CB 3.31Å; P105-Q109 WeakPolarHBondContact O-CB 3.37Å; P105-Q109 PolarHBondContact O-N 3.48Å
106D98.1Very high97.8Very high80 Ų8040.5 Ų40.543%0.42821%0.207SC..Hα-helixtrans-69.8-47.3179.7173.174.1000110.5D104 N108 Q109 K110D104-D106 VanDerWaalsContact C-N 3.33Å; D104-D106 PolarHBondContact O-N 3.28Å; D104-D106 PolarHBondContact OD1-N 2.76Å; D106-N108 PolarHBondContact O-N 2.79Å; D106-Q109 PolarHBondContact O-N 3.2Å; D106-K110 VanDerWaalsContact CG-NZ 3.28Å; D106-K110 WeakPolarHBondContact O-CB 3.37Å; D106-K110 VanDerWaalsContact O-CG 3.31Å; D106-K110 WeakPolarHBondContact O-CG 3.46Å; D106-K110 PolarHBondContact O-N 3.29Å; D106-K110 WeakPolarHBondContact OD1-CE 3.37Å; D106-K110 IonicContact OD1-NZ 2.98Å; D106-K110 PolarHBondContact OD1-NZ 3.3Å; D106-K110 VanDerWaalsContact OD1-NZ 3.1Å; D106-K110 VanDerWaalsContact OD2-CE 3.3Å; D106-K110 WeakPolarHBondContact OD2-CE 3.33Å; D106-K110 IonicContact OD2-NZ 3.1Å; D106-K110 PolarHBondContact OD2-NZ 3.19Å
107L98.4Very high97.9Very high13 Ų1347.7 Ų47.77%0.06824%0.241CC..Hα-helixtrans-60.3-46.8175.3-179.368.3000111.5R82 S101 D104 Q109 K110 L111R82-L107 HydrophobicContact CG-CD2 3.64Å; S101-L107 WeakPolarHBondContact O-CD2 3.16Å; D104-L107 HydrophobicContact CB-CB 3.95Å; D104-L107 PolarHBondContact O-N 3.34Å; D104-L107 PolarHBondContact OD1-N 2.98Å; L107-Q109 VanDerWaalsContact C-N 3.34Å; L107-Q109 PolarHBondContact O-N 2.93Å; L107-K110 PolarHBondContact O-N 2.96Å; L107-L111 HydrophobicContact CD1-CD1 4.09Å; L107-L111 HydrophobicContact CD1-CG 4.21Å; L107-L111 HydrophobicContact CD2-CD1 4.34Å; L107-L111 HydrophobicContact CG-CD1 3.83Å; L107-L111 HydrophobicContact CG-CG 4.34Å; L107-L111 WeakPolarHBondContact O-CB 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 3.14Å
108N98.4Very high97.9Very high22 Ų2251 Ų5112%0.11826%0.255CS..Hα-helixtrans-61.2-44-178.9-171.3-2.4000111L102 D104 D106 R112L102-N108 HydrophobicContact CB-CB 4.35Å; L102-N108 WeakPolarHBondContact O-CB 3.41Å; L102-N108 PolarHBondContact O-ND2 2.99Å; D104-N108 VanDerWaalsContact O-CB 3.22Å; D104-N108 WeakPolarHBondContact O-CB 3.44Å; D104-N108 PolarHBondContact O-N 3.49Å; D106-N108 PolarHBondContact O-N 2.79Å; N108-R112 WeakPolarHBondContact O-CB 3.22Å; N108-R112 VanDerWaalsContact O-CG 3.25Å; N108-R112 WeakPolarHBondContact O-CG 3.42Å; N108-R112 PolarHBondContact O-N 2.89Å; N108-R112 PolarHBondContact OD1-NE 3.42Å
109Q98.4Very high98Very high110 Ų11052.8 Ų52.851%0.51427%0.274SS..Hα-helixtrans-61.7-48.5175-177.7177.1200111.8P105 D106 L107 L111 R112 Q113P105-Q109 VanDerWaalsContact O-CB 3.31Å; P105-Q109 WeakPolarHBondContact O-CB 3.37Å; P105-Q109 PolarHBondContact O-N 3.48Å; D106-Q109 PolarHBondContact O-N 3.2Å; L107-Q109 VanDerWaalsContact C-N 3.34Å; L107-Q109 PolarHBondContact O-N 2.93Å; Q109-L111 PolarHBondContact O-N 2.9Å; Q109-R112 PolarHBondContact O-N 2.92Å; Q109-Q113 HydrophobicContact CG-CG 4.49Å; Q109-Q113 WeakPolarHBondContact O-CG 3.23Å; Q109-Q113 PolarHBondContact O-N 3.33Å
110K98.7Very high98.1Very high89 Ų8955.4 Ų55.439%0.38728%0.284SS..Hα-helixtrans-60.6-42.8179.5-73.8171.6176.9164.50112.2L86 D106 L107 Q113 A114L86-K110 HydrophobicContact CD1-CB 4.34Å; L86-K110 HydrophobicContact CD2-CB 3.92Å; L86-K110 WeakPolarHBondContact CD2-O 3.28Å; D106-K110 VanDerWaalsContact CG-NZ 3.28Å; D106-K110 WeakPolarHBondContact O-CB 3.37Å; D106-K110 VanDerWaalsContact O-CG 3.31Å; D106-K110 WeakPolarHBondContact O-CG 3.46Å; D106-K110 PolarHBondContact O-N 3.29Å; D106-K110 WeakPolarHBondContact OD1-CE 3.37Å; D106-K110 IonicContact OD1-NZ 2.98Å; D106-K110 PolarHBondContact OD1-NZ 3.3Å; D106-K110 VanDerWaalsContact OD1-NZ 3.1Å; D106-K110 VanDerWaalsContact OD2-CE 3.3Å; D106-K110 WeakPolarHBondContact OD2-CE 3.33Å; D106-K110 IonicContact OD2-NZ 3.1Å; D106-K110 PolarHBondContact OD2-NZ 3.19Å; L107-K110 PolarHBondContact O-N 2.96Å; K110-Q113 PolarHBondContact O-N 2.58Å; K110-A114 WeakPolarHBondContact O-CB 3.35Å; K110-A114 PolarHBondContact O-N 3.28Å
111L98.8Very high98.2Very high0 Ų055.3 Ų55.30%028%0.283CS..Hα-helixtrans-65.4-40.1177.1-71.2169.9000112.1V81 G85 L86 L89 L102 L107 Q109 A114 S115 L122V81-L111 HydrophobicContact CG1-CD1 4Å; G85-L111 VanDerWaalsContact C-CD2 3.46Å; L86-L111 HydrophobicContact CD2-CD2 3.93Å; L86-L111 HydrophobicContact CD2-CG 4.36Å; L86-L111 HydrophobicContact CG-CD2 4.3Å; L89-L111 HydrophobicContact CD1-CB 4.31Å; L89-L111 HydrophobicContact CD1-CD2 3.87Å; L89-L111 VanDerWaalsContact CD1-O 3.27Å; L89-L111 WeakPolarHBondContact CD1-O 3.39Å; L102-L111 HydrophobicContact CD2-CD1 3.49Å; L102-L111 VanDerWaalsContact CD2-CD1 3.49Å; L107-L111 HydrophobicContact CD1-CD1 4.09Å; L107-L111 HydrophobicContact CD1-CG 4.21Å; L107-L111 HydrophobicContact CD2-CD1 4.34Å; L107-L111 HydrophobicContact CG-CD1 3.83Å; L107-L111 HydrophobicContact CG-CG 4.34Å; L107-L111 WeakPolarHBondContact O-CB 3.24Å; L107-L111 WeakPolarHBondContact O-CG 3.45Å; L107-L111 PolarHBondContact O-N 3.14Å; Q109-L111 PolarHBondContact O-N 2.9Å; L111-A114 PolarHBondContact O-N 2.93Å; L111-S115 VanDerWaalsContact O-CB 3.26Å; L111-S115 WeakPolarHBondContact O-CB 3.38Å; L111-S115 PolarHBondContact O-N 3.5Å; L111-L122 HydrophobicContact CB-CD2 3.84Å
112R98.5Very high98.2Very high99 Ų9955.3 Ų55.337%0.37428%0.283SS..Hα-helixtrans-62.4-43.9174.4-75.4173.6-178.6-88.2-0.6112N108 Q109 S115 L116 V275N108-R112 WeakPolarHBondContact O-CB 3.22Å; N108-R112 VanDerWaalsContact O-CG 3.25Å; N108-R112 WeakPolarHBondContact O-CG 3.42Å; N108-R112 PolarHBondContact O-N 2.89Å; N108-R112 PolarHBondContact OD1-NE 3.42Å; Q109-R112 PolarHBondContact O-N 2.92Å; R112-S115 WeakPolarHBondContact O-CB 3.43Å; R112-S115 PolarHBondContact O-N 2.94Å; R112-L116 PolarHBondContact O-N 3.44Å; R112-L116 VanDerWaalsContact O-N 3.1Å; R112-V275 HydrophobicContact CG-CG2 3.55Å; R112-V275 VanDerWaalsContact NH1-CG2 3.35Å
113Q98.6Very high98.3Very high106 Ų10655.3 Ų55.350%0.49528%0.283SS..Hα-helixtrans-64.7-46176.8-73.1174.1-16.700111.6Q109 K110 S115 L116 Q117Q109-Q113 HydrophobicContact CG-CG 4.49Å; Q109-Q113 WeakPolarHBondContact O-CG 3.23Å; Q109-Q113 PolarHBondContact O-N 3.33Å; K110-Q113 PolarHBondContact O-N 2.58Å; Q113-S115 VanDerWaalsContact C-N 3.31Å; Q113-S115 PolarHBondContact O-N 3.4Å; Q113-L116 PolarHBondContact O-N 2.85Å; Q113-Q117 VanDerWaalsContact O-CB 3.28Å; Q113-Q117 WeakPolarHBondContact O-CB 3.46Å; Q113-Q117 PolarHBondContact O-N 3.12Å
114A98.7Very high98.3Very high9 Ų954.3 Ų54.37%0.07428%0.276CS..Hα-helixtrans-61.6-39.7176.300000112.1L86 L89 K110 L111 L116 Q117 H118L86-A114 HydrophobicContact CD2-CB 3.75Å; L89-A114 HydrophobicContact CB-CB 4.2Å; L89-A114 HydrophobicContact CD1-CB 3.97Å; K110-A114 WeakPolarHBondContact O-CB 3.35Å; K110-A114 PolarHBondContact O-N 3.28Å; L111-A114 PolarHBondContact O-N 2.93Å; A114-L116 PolarHBondContact O-N 2.85Å; A114-Q117 PolarHBondContact O-N 2.83Å; A114-H118 WeakPolarHBondContact O-CB 3.33Å; A114-H118 PolarHBondContact O-CD2 3.46Å; A114-H118 VanDerWaalsContact O-CD2 3.24Å; A114-H118 PolarHBondContact O-N 2.96Å
115S98.6Very high98.2Very high0 Ų051.7 Ų51.70%026%0.262CS..Hα-helixtrans-57.8-48.1175.4178.20000111.2L111 R112 Q113 G119 R120 L122 G273 R274L111-S115 VanDerWaalsContact O-CB 3.26Å; L111-S115 WeakPolarHBondContact O-CB 3.38Å; L111-S115 PolarHBondContact O-N 3.5Å; R112-S115 WeakPolarHBondContact O-CB 3.43Å; R112-S115 PolarHBondContact O-N 2.94Å; Q113-S115 VanDerWaalsContact C-N 3.31Å; Q113-S115 PolarHBondContact O-N 3.4Å; S115-G119 CarbonylContact O-C 3.56Å; S115-G119 PolarHBondContact O-N 3.28Å; S115-G119 VanDerWaalsContact O-N 3.14Å; S115-R120 CarbonylContact C-O 3.57Å; S115-R120 WeakPolarHBondContact CA-O 3.31Å; S115-R120 VanDerWaalsContact CB-O 3.29Å; S115-R120 WeakPolarHBondContact CB-O 3.48Å; S115-R120 PolarHBondContact O-N 3.13Å; S115-R120 VanDerWaalsContact O-O 3.06Å; S115-R120 PolarHBondContact OG-O 3.04Å; S115-L122 PolarHBondContact OG-N 2.87Å; S115-G273 WeakPolarHBondContact O-CA 3.28Å; S115-G273 VanDerWaalsContact OG-C 3.28Å; S115-R274 PolarHBondContact OG-N 3.2Å; S115-R274 PolarHBondContact OG-O 2.68Å
116L98.4Very high98Very high127 Ų12747.7 Ų47.767%0.66524%0.237SC*.Hα-helixtrans-65.7-50176.8-177.864.1000111.8R112 Q113 A114 H118 G119 G273R112-L116 PolarHBondContact O-N 3.44Å; R112-L116 VanDerWaalsContact O-N 3.1Å; Q113-L116 PolarHBondContact O-N 2.85Å; A114-L116 PolarHBondContact O-N 2.85Å; L116-H118 VanDerWaalsContact C-N 3.31Å; L116-H118 PolarHBondContact O-N 2.89Å; L116-G119 PolarHBondContact O-N 2.96Å; L116-G119 VanDerWaalsContact O-N 3.15Å; L116-G273 WeakPolarHBondContact CA-O 3.49Å; L116-G273 PolarHBondContact N-O 3.39Å
117Q98.3Very high97.7Very high151 Ų15144.1 Ų44.171%0.70622%0.219SC*.Hα-helixtrans-56.9-42.7-177.2177.2-178.4-13.100112.5Q113 A114Q113-Q117 VanDerWaalsContact O-CB 3.28Å; Q113-Q117 WeakPolarHBondContact O-CB 3.46Å; Q113-Q117 PolarHBondContact O-N 3.12Å; A114-Q117 PolarHBondContact O-N 2.83Å
118H98.1Very high97.4Very high73 Ų7343.8 Ų43.834%0.33822%0.218SC..THydrogen-bonded Turntrans-94.52.1-177.9-63.7-62.8000113.6L89 A114 L116 R120L89-H118 WeakPolarHBondContact O-CB 3.3Å; L89-H118 PolarHBondContact O-CD2 2.93Å; A114-H118 WeakPolarHBondContact O-CB 3.33Å; A114-H118 PolarHBondContact O-CD2 3.46Å; A114-H118 VanDerWaalsContact O-CD2 3.24Å; A114-H118 PolarHBondContact O-N 2.96Å; L116-H118 VanDerWaalsContact C-N 3.31Å; L116-H118 PolarHBondContact O-N 2.89Å; H118-R120 PolarHBondContact O-N 3.24Å; H118-R120 VanDerWaalsContact O-N 3.1Å
119G97.9Very high97.3Very high42 Ų4243.1 Ų43.143%0.43321%0.214SC..THydrogen-bonded Turntrans62.812.9-175.700000114.3S115 L116 G273S115-G119 CarbonylContact O-C 3.56Å; S115-G119 PolarHBondContact O-N 3.28Å; S115-G119 VanDerWaalsContact O-N 3.14Å; L116-G119 PolarHBondContact O-N 2.96Å; L116-G119 VanDerWaalsContact O-N 3.15Å; G119-G273 PolarHBondContact O-N 3.47Å
120R98.3Very high97.1Very high59 Ų5946.1 Ų46.122%0.22322%0.221CC..  trans-101.2135.8-175.2-78.1156.1177.2143.9-6.4110.9L89 S90 E91 A92 H93 S115 H118L89-R120 HydrophobicContact CD2-CB 4.25Å; L89-R120 WeakPolarHBondContact O-CD 3.25Å; L89-R120 PolarHBondContact O-NH1 3.26Å; L89-R120 VanDerWaalsContact O-NH1 3.08Å; S90-R120 VanDerWaalsContact C-CZ 3.46Å; S90-R120 VanDerWaalsContact O-CZ 3.3Å; S90-R120 PolarHBondContact O-NH1 3.15Å; S90-R120 PolarHBondContact O-NH2 2.73Å; E91-R120 VanDerWaalsContact O-CZ 3.24Å; E91-R120 PolarHBondContact O-NE 2.91Å; E91-R120 PolarHBondContact O-NH2 3.05Å; A92-R120 WeakPolarHBondContact O-CD 3.49Å; H93-R120 WeakPolarHBondContact ND1-CA 3.33Å; S115-R120 CarbonylContact C-O 3.57Å; S115-R120 WeakPolarHBondContact CA-O 3.31Å; S115-R120 VanDerWaalsContact CB-O 3.29Å; S115-R120 WeakPolarHBondContact CB-O 3.48Å; S115-R120 PolarHBondContact O-N 3.13Å; S115-R120 VanDerWaalsContact O-O 3.06Å; S115-R120 PolarHBondContact OG-O 3.04Å; H118-R120 PolarHBondContact O-N 3.24Å; H118-R120 VanDerWaalsContact O-N 3.1Å
121T98.7Very high96.9Very high0 Ų042.8 Ų42.80%021%0.212CC..  trans-79.1135.9-175.7-57.70000111.7H93 F94 Y123 H271 R274H93-T121 PolarHBondContact ND1-N 3.41Å; H93-T121 VanDerWaalsContact ND1-N 3.11Å; F94-T121 PolarHBondContact N-O 3.38Å; T121-Y123 VanDerWaalsContact CB-CE2 3.46Å; T121-Y123 HydrophobicContact CG2-CD1 3.95Å; T121-Y123 HydrophobicContact CG2-CD2 3.83Å; T121-Y123 HydrophobicContact CG2-CE1 3.67Å; T121-Y123 HydrophobicContact CG2-CE2 3.53Å; T121-Y123 HydrophobicContact CG2-CG 4.03Å; T121-Y123 VanDerWaalsContact CG2-CZ 3.43Å; T121-H271 HydrophobicContact CG2-CB 4.07Å; T121-H271 WeakPolarHBondContact OG1-CA 3.46Å; T121-H271 PolarHBondContact OG1-N 3.39Å; T121-R274 WeakPolarHBondContact CA-O 3.41Å; T121-R274 WeakPolarHBondContact CG2-O 3.41Å
122L98.8Very high96.8Very high0 Ų043 Ų430%021%0.214CC..EExtended strand (participates in β ladder)trans-93.5104.8167.3-175.468000108.6L89 F94 V96 L111 S115 R274 V275 Y276L89-L122 HydrophobicContact CD1-CD1 4.22Å; L89-L122 HydrophobicContact CD2-CB 4.45Å; L89-L122 HydrophobicContact CD2-CD1 4.44Å; F94-L122 HydrophobicContact CB-CD1 4.18Å; F94-L122 HydrophobicContact CD1-CD1 3.47Å; F94-L122 VanDerWaalsContact CD1-CD1 3.47Å; F94-L122 HydrophobicContact CE1-CD1 4.14Å; F94-L122 HydrophobicContact CG-CD1 4.09Å; F94-L122 CarbonylContact O-C 3.56Å; F94-L122 WeakPolarHBondContact O-CA 3.33Å; V96-L122 HydrophobicContact CG2-CD1 3.28Å; V96-L122 HydrophobicContact CG2-CG 4.02Å; L111-L122 HydrophobicContact CB-CD2 3.84Å; S115-L122 PolarHBondContact OG-N 2.87Å; L122-R274 PolarHBondContact N-O 2.98Å; L122-V275 HydrophobicContact CB-CG2 4.26Å; L122-V275 HydrophobicContact CD2-CG2 3.97Å; L122-V275 CarbonylContact O-C 3.41Å; L122-V275 VanDerWaalsContact O-CA 3.28Å; L122-V275 WeakPolarHBondContact O-CA 3.43Å; L122-Y276 PolarHBondContact O-N 2.82Å
123Y98.7Very high96.7Very high0 Ų043.3 Ų43.30%022%0.22CC..EExtended strand (participates in β ladder)trans-88.4134.6-178.9-69-82.9000111.4H93 F94 M95 V96 T121 C268 R269 G270 H271 Y276 C278H93-Y123 HydrophobicContact CB-CD2 4.31Å; H93-Y123 HydrophobicContact CB-CE2 3.88Å; F94-Y123 PolarHBondContact O-N 3.5Å; M95-Y123 WeakPolarHBondContact CA-O 3.5Å; V96-Y123 PolarHBondContact N-O 2.8Å; T121-Y123 VanDerWaalsContact CB-CE2 3.46Å; T121-Y123 HydrophobicContact CG2-CD1 3.95Å; T121-Y123 HydrophobicContact CG2-CD2 3.83Å; T121-Y123 HydrophobicContact CG2-CE1 3.67Å; T121-Y123 HydrophobicContact CG2-CE2 3.53Å; T121-Y123 HydrophobicContact CG2-CG 4.03Å; T121-Y123 VanDerWaalsContact CG2-CZ 3.43Å; Y123-C268 HydrophobicContact CD2-CB 4.23Å; Y123-C268 HydrophobicContact CE1-CB 4.41Å; Y123-C268 HydrophobicContact CE2-CB 3.92Å; Y123-C268 VanDerWaalsContact CG-SG 3.57Å; Y123-C268 VanDerWaalsContact CZ-CA 3.48Å; Y123-C268 WeakPolarHBondContact OH-CA 3.47Å; Y123-R269 PolarHBondContact OH-N 2.95Å; Y123-G270 VanDerWaalsContact OH-CA 3.32Å; Y123-G270 WeakPolarHBondContact OH-CA 3.49Å; Y123-G270 PolarHBondContact OH-N 3.26Å; Y123-H271 AromaticContact CE1-CE1 3.56Å; Y123-H271 AromaticContact CE1-ND1 3.2Å; Y123-H271 WeakPolarHBondContact CE1-ND1 3.24Å; Y123-H271 AromaticContact CZ-CE1 3.93Å; Y123-H271 AromaticContact CZ-ND1 3.37Å; Y123-H271 PolarHBondContact OH-CE1 3.37Å; Y123-H271 PolarHBondContact OH-ND1 2.87Å; Y123-Y276 CarbonylContact C-O 3.54Å; Y123-Y276 WeakPolarHBondContact CA-O 3.47Å; Y123-Y276 AromaticContact CD1-CD1 3.87Å; Y123-Y276 HydrophobicContact CD1-CD1 3.87Å; Y123-Y276 HydrophobicContact CD1-CG 4.3Å; Y123-Y276 AromaticContact CE1-CD1 3.87Å; Y123-Y276 HydrophobicContact CE1-CD1 3.87Å; Y123-Y276 HydrophobicContact CE1-CG 4.2Å; Y123-C278 HydrophobicContact CD1-CB 4.16Å
124V98.2Very high96.7Very high0 Ų042.6 Ų42.60%022%0.219CC..EExtended strand (participates in β ladder)trans-119.1108.4172177.60000107.8P99 L102 A198 V201 V275 Y276 L277 C278P99-V124 HydrophobicContact CB-CG1 3.81Å; P99-V124 HydrophobicContact CG-CG1 4.25Å; L102-V124 HydrophobicContact CD1-CG2 3.89Å; V124-A198 HydrophobicContact CG1-CB 4.17Å; V124-V201 HydrophobicContact CB-CG1 4.27Å; V124-V201 HydrophobicContact CG1-CB 4.45Å; V124-V201 HydrophobicContact CG1-CG1 4.46Å; V124-V201 HydrophobicContact CG1-CG2 4.38Å; V124-V201 HydrophobicContact CG2-CG1 4.16Å; V124-V201 HydrophobicContact CG2-CG2 4.3Å; V124-V275 HydrophobicContact CG2-CG1 4.18Å; V124-Y276 PolarHBondContact N-O 3.48Å; V124-L277 HydrophobicContact CB-CD1 4.43Å; V124-L277 HydrophobicContact CG1-CD1 4.17Å; V124-L277 WeakPolarHBondContact O-CA 3.47Å; V124-C278 PolarHBondContact O-N 3.47Å; V124-C278 PolarHBondContact O-SG 3.34Å
125P96Very high96.7Very high4 Ų442.5 Ų42.53%0.02622%0.218CC..  trans-65.5137.3176.122-26.5000111.1M95 V96 G127 F261 C278M95-P125 HydrophobicContact CE-CB 3.55Å; M95-P125 HydrophobicContact CE-CG 3.75Å; V96-P125 WeakPolarHBondContact O-CD 3.47Å; P125-G127 VanDerWaalsContact C-N 3.26Å; P125-G127 PolarHBondContact O-N 3.32Å; P125-F261 HydrophobicContact CB-CD1 4.21Å; P125-F261 HydrophobicContact CB-CD2 4.37Å; P125-F261 HydrophobicContact CB-CE1 4.04Å; P125-F261 HydrophobicContact CB-CE2 4.2Å; P125-F261 HydrophobicContact CB-CG 4.39Å; P125-F261 HydrophobicContact CB-CZ 4.04Å; P125-F261 HydrophobicContact CG-CD1 4.03Å; P125-F261 HydrophobicContact CG-CE1 3.42Å; P125-F261 VanDerWaalsContact CG-CE1 3.42Å; P125-F261 HydrophobicContact CG-CE2 4.14Å; P125-F261 HydrophobicContact CG-CZ 3.49Å; P125-F261 VanDerWaalsContact CG-CZ 3.49Å; P125-C278 CarbonylContact C-O 3.41Å
126S92.3Very high96.6Very high18 Ų1845.1 Ų45.113%0.12623%0.23CC..  trans-61.7-36.9174.8-59.90000111.2A128 L129 C278S126-A128 PolarHBondContact O-N 2.88Å; S126-A128 VanDerWaalsContact O-N 3.09Å; S126-L129 WeakPolarHBondContact O-CB 3.45Å; S126-L129 PolarHBondContact O-N 2.64Å; S126-C278 VanDerWaalsContact CB-O 3.27Å; S126-C278 WeakPolarHBondContact CB-O 3.27Å; S126-C278 PolarHBondContact N-O 3.23Å; S126-C278 PolarHBondContact OG-O 2.96Å
127G91.8Very high96.6Very high5 Ų545.7 Ų45.75%0.05222%0.223CC..THydrogen-bonded Turntrans56.5-114.4179.900000112.1P125 L129 R243 S260P125-G127 VanDerWaalsContact C-N 3.26Å; P125-G127 PolarHBondContact O-N 3.32Å; G127-L129 VanDerWaalsContact C-N 3.3Å; G127-R243 PolarHBondContact O-NH1 3Å; G127-S260 VanDerWaalsContact CA-OG 3.32Å; G127-S260 WeakPolarHBondContact CA-OG 3.34Å; G127-S260 PolarHBondContact N-OG 3.04Å; G127-S260 VanDerWaalsContact N-OG 3.15Å; G127-S260 WeakPolarHBondContact O-CB 3.4Å; G127-S260 PolarHBondContact O-OG 3.32Å
128A92.1Very high96.6Very high5 Ų539.8 Ų39.84%0.04120%0.196CC..THydrogen-bonded Turntrans-81.2-4177.700000114S126 W130 T195 V227 R243S126-A128 PolarHBondContact O-N 2.88Å; S126-A128 VanDerWaalsContact O-N 3.09Å; A128-W130 PolarHBondContact O-N 2.72Å; A128-T195 HydrophobicContact CB-CG2 3.95Å; A128-T195 WeakPolarHBondContact CB-OG1 3.13Å; A128-V227 HydrophobicContact CB-CG2 4.06Å; A128-R243 WeakPolarHBondContact O-CD 3.46Å; A128-R243 PolarHBondContact O-NH1 3.43Å
129L95.6Very high96.6Very high8 Ų836.9 Ų36.94%0.04218%0.183CC..  trans-75.8110.2-177.2-178.162.8000110.5S126 G127 I135 I149 T195 A198 A199 V229S126-L129 WeakPolarHBondContact O-CB 3.45Å; S126-L129 PolarHBondContact O-N 2.64Å; G127-L129 VanDerWaalsContact C-N 3.3Å; L129-I135 HydrophobicContact CD1-CD1 4.28Å; L129-I149 HydrophobicContact CD1-CD1 4.41Å; L129-T195 HydrophobicContact CB-CG2 3.9Å; L129-A198 HydrophobicContact CD2-CB 4.11Å; L129-A199 HydrophobicContact CD1-CB 3.92Å; L129-A199 HydrophobicContact CD2-CB 4.1Å; L129-V229 HydrophobicContact CD1-CG2 4.04Å
130W94.2Very high96.6Very high173 Ų17339.8 Ų39.866%0.65519%0.188SC*.SBendtrans-86.9142.4168.5-172.6-89.5000109.8A128 G132A128-W130 PolarHBondContact O-N 2.72Å; W130-G132 VanDerWaalsContact C-N 3.31Å; W130-G132 PolarHBondContact O-N 3.38Å
131G95.4Very high96.6Very high20 Ų2040.7 Ų40.721%0.20620%0.204CC..SBendtrans74.813.4178.800000115.3Q133 D134 I135G131-Q133 VanDerWaalsContact C-N 3.27Å; G131-Q133 PolarHBondContact O-N 2.82Å; G131-D134 PolarHBondContact O-N 3.17Å; G131-I135 WeakPolarHBondContact O-CG1 3.2Å; G131-I135 PolarHBondContact O-N 2.81Å
132G96.3Very high96.5Very high4 Ų442.2 Ų42.24%0.04122%0.22CC..Hα-helixtrans-55.7-38.3-179.100000113.9W130 Q136W130-G132 VanDerWaalsContact C-N 3.31Å; W130-G132 PolarHBondContact O-N 3.38Å; G132-Q136 WeakPolarHBondContact O-CB 3.35Å; G132-Q136 PolarHBondContact O-N 2.87Å
133Q95.9Very high96.5Very high105 Ų10544.6 Ų44.649%0.49123%0.234SC..Hα-helixtrans-69-36.5176.1-65.7-179.6700112.6G131 Q136 R137G131-Q133 VanDerWaalsContact C-N 3.27Å; G131-Q133 PolarHBondContact O-N 2.82Å; Q133-Q136 PolarHBondContact O-N 3.41Å; Q133-R137 WeakPolarHBondContact O-CG 3.4Å; Q133-R137 PolarHBondContact O-N 2.79Å
134D97.8Very high96.5Very high91 Ų9145.3 Ų45.349%0.48724%0.238SC..Hα-helixtrans-69.2-41.8177.3-60.4-63000111.1G131 Q136 R137 M138G131-D134 PolarHBondContact O-N 3.17Å; D134-Q136 VanDerWaalsContact C-N 3.28Å; D134-Q136 PolarHBondContact O-N 2.87Å; D134-R137 PolarHBondContact O-N 2.92Å; D134-R137 IonicContact OD1-NH1 2.66Å; D134-R137 PolarHBondContact OD1-NH1 2.7Å; D134-M138 WeakPolarHBondContact O-CG 3.27Å; D134-M138 PolarHBondContact O-N 3.23Å
135I98.4Very high96.5Very high8 Ų851.4 Ų51.44%0.04127%0.265CS..Hα-helixtrans-56.9-44.8171.1-65.4163.3000110.1L129 G131 M138 N139 L144 L147 A202 A203 V229L129-I135 HydrophobicContact CD1-CD1 4.28Å; G131-I135 WeakPolarHBondContact O-CG1 3.2Å; G131-I135 PolarHBondContact O-N 2.81Å; I135-M138 PolarHBondContact O-N 2.91Å; I135-N139 WeakPolarHBondContact O-CB 3.35Å; I135-N139 PolarHBondContact O-N 3.22Å; I135-L144 HydrophobicContact CG2-CD2 3.97Å; I135-L147 HydrophobicContact CD1-CD1 3.95Å; I135-L147 HydrophobicContact CD1-CD2 4.45Å; I135-L147 HydrophobicContact CG1-CD1 4.21Å; I135-L147 HydrophobicContact CG2-CD1 4.39Å; I135-L147 HydrophobicContact CG2-CD2 3.92Å; I135-A202 HydrophobicContact CB-CB 4.26Å; I135-A202 HydrophobicContact CG2-CB 3.87Å; I135-A203 HydrophobicContact CG2-CB 4.05Å; I135-V229 HydrophobicContact CD1-CG1 3.95Å
136Q97.9Very high96.6Very high55 Ų5553.4 Ų53.426%0.25728%0.281SS..Hα-helixtrans-63.5-43.8177.6-173.2172.85300112.1G132 Q133 D134 M138 N139 D140 A202G132-Q136 WeakPolarHBondContact O-CB 3.35Å; G132-Q136 PolarHBondContact O-N 2.87Å; Q133-Q136 PolarHBondContact O-N 3.41Å; D134-Q136 VanDerWaalsContact C-N 3.28Å; D134-Q136 PolarHBondContact O-N 2.87Å; Q136-M138 VanDerWaalsContact C-N 3.33Å; Q136-M138 PolarHBondContact O-N 3.39Å; Q136-N139 WeakPolarHBondContact O-CB 3.33Å; Q136-N139 PolarHBondContact O-N 3.13Å; Q136-D140 WeakPolarHBondContact O-CB 3.48Å; Q136-D140 PolarHBondContact O-N 2.93Å; Q136-A202 WeakPolarHBondContact CA-O 3.39Å
137R98Very high96.9Very high139 Ų13952.7 Ų52.753%0.52528%0.276SS..Hα-helixtrans-60.6-40.9174.9-70.4173.8-166121.46.4112.2Q133 D134 D140 S141Q133-R137 WeakPolarHBondContact O-CG 3.4Å; Q133-R137 PolarHBondContact O-N 2.79Å; D134-R137 PolarHBondContact O-N 2.92Å; D134-R137 IonicContact OD1-NH1 2.66Å; D134-R137 PolarHBondContact OD1-NH1 2.7Å; R137-D140 PolarHBondContact O-N 3.39Å; R137-S141 WeakPolarHBondContact O-CB 3.13Å; R137-S141 PolarHBondContact O-N 3.43Å; R137-S141 PolarHBondContact O-OG 3.2Å
138M98.1Very high97.2Very high26 Ų2653.7 Ų53.713%0.12828%0.279CS..Hα-helixtrans-65.1-41.2174.9-70.2-177.670.700111.9D134 I135 Q136 S141 G142 T143 L144 A231 F237D134-M138 WeakPolarHBondContact O-CG 3.27Å; D134-M138 PolarHBondContact O-N 3.23Å; I135-M138 PolarHBondContact O-N 2.91Å; Q136-M138 VanDerWaalsContact C-N 3.33Å; Q136-M138 PolarHBondContact O-N 3.39Å; M138-S141 WeakPolarHBondContact CA-OG 3.32Å; M138-S141 PolarHBondContact O-OG 3.31Å; M138-S141 VanDerWaalsContact O-OG 3.09Å; M138-G142 PolarHBondContact O-N 3.11Å; M138-G142 VanDerWaalsContact O-N 3.13Å; M138-T143 WeakPolarHBondContact CA-OG1 3.47Å; M138-T143 PolarHBondContact O-N 3.2Å; M138-T143 PolarHBondContact O-OG1 2.93Å; M138-L144 HydrophobicContact CB-CB 3.87Å; M138-L144 HydrophobicContact CB-CD1 4.43Å; M138-L144 HydrophobicContact CE-CD1 4.18Å; M138-L144 PolarHBondContact O-N 2.91Å; M138-L144 VanDerWaalsContact O-N 3.09Å; M138-L144 HydrophobicContact SD-CD1 4.46Å; M138-A231 HydrophobicContact SD-CB 4.49Å; M138-F237 HydrophobicContact CE-CD1 3.66Å; M138-F237 HydrophobicContact CE-CE1 3.41Å; M138-F237 VanDerWaalsContact CE-CE1 3.41Å; M138-F237 HydrophobicContact CE-CZ 4.48Å; M138-F237 HydrophobicContact SD-CE1 3.7Å; M138-F237 HydrophobicContact SD-CZ 4.4Å
139N98.3Very high97.5Very high12 Ų1253.4 Ų53.46%0.06428%0.277CS..Hα-helixtrans-59.7-50.3174.8173.782.2000111.4I135 Q136 S141 G142 L144 A203 G204 K205I135-N139 WeakPolarHBondContact O-CB 3.35Å; I135-N139 PolarHBondContact O-N 3.22Å; Q136-N139 WeakPolarHBondContact O-CB 3.33Å; Q136-N139 PolarHBondContact O-N 3.13Å; N139-S141 PolarHBondContact O-N 3.13Å; N139-G142 PolarHBondContact O-N 3.36Å; N139-L144 HydrophobicContact CB-CD2 4.2Å; N139-A203 VanDerWaalsContact OD1-C 3.3Å; N139-G204 PolarHBondContact OD1-N 3Å; N139-G204 VanDerWaalsContact OD1-N 3.15Å; N139-K205 WeakPolarHBondContact O-CD 3.34Å; N139-K205 WeakPolarHBondContact O-CE 3.48Å; N139-K205 PolarHBondContact O-NZ 2.83Å; N139-K205 VanDerWaalsContact OD1-CB 3.3Å; N139-K205 WeakPolarHBondContact OD1-CB 3.31Å; N139-K205 WeakPolarHBondContact OD1-CG 3.28Å; N139-K205 PolarHBondContact OD1-N 3.36Å
140D97.6Very high97.7Very high103 Ų10354.8 Ų54.855%0.55128%0.282SS*.Hα-helixtrans-66.4-41.8-174.3-65.4-9.3000110.9Q136 R137 G142 K205Q136-D140 WeakPolarHBondContact O-CB 3.48Å; Q136-D140 PolarHBondContact O-N 2.93Å; R137-D140 PolarHBondContact O-N 3.39Å; D140-G142 PolarHBondContact O-N 2.92Å; D140-K205 PolarHBondContact O-NZ 2.87Å
141S97.5Very high97.8Very high78 Ų7846.8 Ų46.855%0.54525%0.252SS..Hα-helixtrans-69.9-10.8172.760.10000114.6R137 M138 N139 T143R137-S141 WeakPolarHBondContact O-CB 3.13Å; R137-S141 PolarHBondContact O-N 3.43Å; R137-S141 PolarHBondContact O-OG 3.2Å; M138-S141 WeakPolarHBondContact CA-OG 3.32Å; M138-S141 PolarHBondContact O-OG 3.31Å; M138-S141 VanDerWaalsContact O-OG 3.09Å; N139-S141 PolarHBondContact O-N 3.13Å; S141-T143 VanDerWaalsContact C-N 3.3Å; S141-T143 PolarHBondContact OG-OG1 3.48Å
142G97.4Very high97.8Very high33 Ų3346.2 Ų46.234%0.3424%0.244SC..THydrogen-bonded Turntrans76.714.5-178.500000114.6M138 N139 D140M138-G142 PolarHBondContact O-N 3.11Å; M138-G142 VanDerWaalsContact O-N 3.13Å; N139-G142 PolarHBondContact O-N 3.36Å; D140-G142 PolarHBondContact O-N 2.92Å
143T98.1Very high97.8Very high49 Ų4946.3 Ų46.330%0.30124%0.244SC..  trans-90.5-19.7-179.957.30000112.9M138 S141 K145 G233 P234M138-T143 WeakPolarHBondContact CA-OG1 3.47Å; M138-T143 PolarHBondContact O-N 3.2Å; M138-T143 PolarHBondContact O-OG1 2.93Å; S141-T143 VanDerWaalsContact C-N 3.3Å; S141-T143 PolarHBondContact OG-OG1 3.48Å; T143-K145 PolarHBondContact O-N 3.32Å; T143-G233 VanDerWaalsContact O-CA 3.28Å; T143-G233 WeakPolarHBondContact O-CA 3.49Å; T143-P234 VanDerWaalsContact O-CD 3.25Å; T143-P234 WeakPolarHBondContact O-CD 3.38Å
144L98.6Very high97.8Very high16 Ų1641.4 Ų41.48%0.08422%0.221CC..  trans-67.9115.3175.2-171.566000111.2I135 M138 N139 A146 A203 L206 A231I135-L144 HydrophobicContact CG2-CD2 3.97Å; M138-L144 HydrophobicContact CB-CB 3.87Å; M138-L144 HydrophobicContact CB-CD1 4.43Å; M138-L144 HydrophobicContact CE-CD1 4.18Å; M138-L144 PolarHBondContact O-N 2.91Å; M138-L144 VanDerWaalsContact O-N 3.09Å; M138-L144 HydrophobicContact SD-CD1 4.46Å; N139-L144 HydrophobicContact CB-CD2 4.2Å; L144-A146 WeakPolarHBondContact CD1-O 3.37Å; L144-A203 HydrophobicContact CD2-CB 3.45Å; L144-A203 VanDerWaalsContact CD2-CB 3.45Å; L144-L206 HydrophobicContact CD2-CD1 3.94Å; L144-L206 HydrophobicContact CG-CD1 4.06Å; L144-A231 HydrophobicContact CD1-CB 4.1Å
145K98.3Very high97.6Very high128 Ų12837.3 Ų37.356%0.55720%0.199SC*.  trans-100.6-38.8179.6-62.4-56.7-177.1-172.90113.2T143 T232T143-K145 PolarHBondContact O-N 3.32Å; K145-T232 PolarHBondContact N-O 3.06Å
146A98.6Very high97.2Very high45 Ų4538.5 Ų38.537%0.37221%0.208SC..EExtended strand (participates in β ladder)trans-147.1151.717700000110.1L144 T232L144-A146 WeakPolarHBondContact CD1-O 3.37Å; A146-T232 PolarHBondContact N-O 3.4Å; A146-T232 PolarHBondContact O-N 3.27Å
147L98.8Very high96.9Very high3 Ų336 Ų362%0.01620%0.196CC..EExtended strand (participates in β ladder)trans-138.8126.9172-174.269.4000108.6I135 A199 A203 L206 V211 Q212 V229 E230 A231I135-L147 HydrophobicContact CD1-CD1 3.95Å; I135-L147 HydrophobicContact CD1-CD2 4.45Å; I135-L147 HydrophobicContact CG1-CD1 4.21Å; I135-L147 HydrophobicContact CG2-CD1 4.39Å; I135-L147 HydrophobicContact CG2-CD2 3.92Å; L147-A199 HydrophobicContact CD2-CB 4.02Å; L147-A203 HydrophobicContact CD2-CB 3.69Å; L147-L206 HydrophobicContact CB-CD1 3.93Å; L147-V211 HydrophobicContact CB-CG1 4.19Å; L147-V211 HydrophobicContact CB-CG2 4.12Å; L147-V211 HydrophobicContact CD2-CG1 3.93Å; L147-V211 HydrophobicContact CD2-CG2 3.91Å; L147-V211 HydrophobicContact CG-CG1 4.05Å; L147-V211 HydrophobicContact CG-CG2 4.46Å; L147-Q212 PolarHBondContact O-N 2.88Å; L147-V229 HydrophobicContact CD1-CG1 3.65Å; L147-E230 WeakPolarHBondContact CA-O 3.24Å; L147-A231 HydrophobicContact CD1-CB 3.99Å
148F98.8Very high96.4Very high26 Ų2630 Ų3011%0.11417%0.174CC..EExtended strand (participates in β ladder)trans-121.7139.9173.3170.9-95.6000109.6R150 Q212 E214 V229 E230F148-R150 HydrophobicContact CE1-CB 3.88Å; F148-R150 HydrophobicContact CZ-CB 4.04Å; F148-Q212 CarbonylContact C-O 3.58Å; F148-Q212 VanDerWaalsContact CA-O 3.31Å; F148-Q212 WeakPolarHBondContact CA-O 3.46Å; F148-Q212 HydrophobicContact CB-CB 4.48Å; F148-Q212 HydrophobicContact CD2-CB 3.84Å; F148-E214 HydrophobicContact CE2-CB 3.8Å; F148-E214 HydrophobicContact CZ-CB 3.62Å; F148-V229 WeakPolarHBondContact O-CA 3.45Å; F148-E230 HydrophobicContact CB-CB 4.24Å; F148-E230 HydrophobicContact CD1-CB 4.39Å; F148-E230 HydrophobicContact CD1-CG 4.36Å; F148-E230 PolarHBondContact N-O 3Å; F148-E230 PolarHBondContact O-N 3.17Å
149I98.6Very high95.7Very high0 Ų034.6 Ų34.60%019%0.19CC..EExtended strand (participates in β ladder)trans-134.9128.7176.6-178.4163.3000111.3L129 V182 T195 M196 A199 V211 Q212 G213 E214 V227 E228 V229L129-I149 HydrophobicContact CD1-CD1 4.41Å; I149-V182 HydrophobicContact CG2-CG2 4.34Å; I149-T195 HydrophobicContact CD1-CG2 3.91Å; I149-M196 HydrophobicContact CD1-CG 4.1Å; I149-M196 HydrophobicContact CG1-CG 4.13Å; I149-M196 HydrophobicContact CG2-CB 3.84Å; I149-M196 HydrophobicContact CG2-CG 3.64Å; I149-M196 HydrophobicContact CG2-SD 4.39Å; I149-A199 HydrophobicContact CD1-CB 4.2Å; I149-V211 HydrophobicContact CG2-CG1 4.29Å; I149-Q212 PolarHBondContact N-O 3.02Å; I149-G213 CarbonylContact O-C 3.46Å; I149-G213 VanDerWaalsContact O-CA 3.25Å; I149-G213 WeakPolarHBondContact O-CA 3.45Å; I149-E214 PolarHBondContact O-N 3.14Å; I149-V227 HydrophobicContact CD1-CG1 3.9Å; I149-V227 HydrophobicContact CG1-CG1 4.12Å; I149-E228 CarbonylContact C-O 3.56Å; I149-E228 VanDerWaalsContact CA-O 3.3Å; I149-E228 WeakPolarHBondContact CA-O 3.24Å; I149-V229 HydrophobicContact CD1-CG2 3.98Å; I149-V229 HydrophobicContact CG1-CG2 4.1Å
150R98.1Very high94.8Very high37 Ų3735.5 Ų35.514%0.1420%0.195CC..EExtended strand (participates in β ladder)trans-112.5136.5173.4-175.7-173.4-67.6114.69.3110.7F148 E214 V216 V227 E228F148-R150 HydrophobicContact CE1-CB 3.88Å; F148-R150 HydrophobicContact CZ-CB 4.04Å; R150-E214 CarbonylContact C-O 3.53Å; R150-E214 VanDerWaalsContact CA-O 3.29Å; R150-E214 WeakPolarHBondContact CA-O 3.44Å; R150-E214 HydrophobicContact CB-CB 4.36Å; R150-E214 HydrophobicContact CG-CB 4.17Å; R150-E214 IonicContact CZ-OE2 3.85Å; R150-E214 IonicContact NE-OE2 3.86Å; R150-E214 PolarHBondContact NE-OE2 3.32Å; R150-E214 IonicContact NH2-OE2 3.34Å; R150-E214 PolarHBondContact NH2-OE2 3.42Å; R150-E214 VanDerWaalsContact NH2-OE2 3.15Å; R150-V216 HydrophobicContact CG-CG2 3.79Å; R150-V227 WeakPolarHBondContact O-CA 3.37Å; R150-E228 HydrophobicContact CB-CB 4.23Å; R150-E228 VanDerWaalsContact CD-OE1 3.3Å; R150-E228 WeakPolarHBondContact CD-OE1 3.31Å; R150-E228 IonicContact CZ-OE1 3.91Å; R150-E228 PolarHBondContact N-O 2.96Å; R150-E228 IonicContact NE-OE1 3.15Å; R150-E228 IonicContact NH1-OE1 2.65Å; R150-E228 PolarHBondContact NH1-OE1 3.12Å; R150-E228 IonicContact NH1-OE2 2.82Å; R150-E228 PolarHBondContact NH1-OE2 3.19Å; R150-E228 PolarHBondContact O-N 3.07Å
151M96.5Very high93.6Very high5 Ų534.1 Ų34.13%0.02519%0.19CC..EExtended strand (participates in β ladder)trans-115.9116.1168.3177.868.868.300109.4K153 M196 E214 V216 H225 V227M151-K153 HydrophobicContact CG-CD 4.37Å; M151-K153 HydrophobicContact CG-CG 4.13Å; M151-K153 HydrophobicContact SD-CD 4.4Å; M151-K153 WeakPolarHBondContact SD-CE 3.42Å; M151-K153 HydrophobicContact SD-CG 4.15Å; M151-M196 HydrophobicContact CB-CE 3.66Å; M151-E214 PolarHBondContact N-O 2.84Å; M151-V216 PolarHBondContact O-N 2.9Å; M151-H225 HydrophobicContact SD-CB 4.43Å; M151-V227 HydrophobicContact CE-CG2 3.39Å; M151-V227 HydrophobicContact SD-CG2 3.76Å
152S96.9Very high92.4Very high7 Ų733.2 Ų33.25%0.04919%0.193CC..EExtended strand (participates in β ladder)trans-110.7129.5176.5-48.80000110.3V216 L221 V226S152-V216 VanDerWaalsContact CA-O 3.25Å; S152-V216 WeakPolarHBondContact CA-O 3.31Å; S152-L221 VanDerWaalsContact C-CD1 3.48Å; S152-L221 VanDerWaalsContact CB-CD1 3.5Å; S152-L221 WeakPolarHBondContact O-CD1 3.33Å; S152-V226 PolarHBondContact N-O 2.76Å; S152-V226 PolarHBondContact O-N 3.25Å
153K95.6Very high91.4Very high7 Ų738 Ų383%0.0321%0.211CC..EExtended strand (participates in β ladder)trans-144.2165177-51.2-176-179.6178.60111.1M151 C157 F158 N192 V216 S217 D218 H225 V252M151-K153 HydrophobicContact CG-CD 4.37Å; M151-K153 HydrophobicContact CG-CG 4.13Å; M151-K153 HydrophobicContact SD-CD 4.4Å; M151-K153 WeakPolarHBondContact SD-CE 3.42Å; M151-K153 HydrophobicContact SD-CG 4.15Å; K153-C157 HydrophobicContact CB-CB 3.98Å; K153-C157 HydrophobicContact CD-CB 4.06Å; K153-F158 HydrophobicContact CB-CE1 4.36Å; K153-F158 HydrophobicContact CB-CE2 3.77Å; K153-F158 HydrophobicContact CB-CZ 3.68Å; K153-F158 HydrophobicContact CD-CE1 4.14Å; K153-F158 HydrophobicContact CD-CZ 4.29Å; K153-F158 HydrophobicContact CG-CE1 4.28Å; K153-F158 HydrophobicContact CG-CZ 3.97Å; K153-N192 PolarHBondContact NZ-ND2 2.91Å; K153-N192 VanDerWaalsContact NZ-ND2 3.12Å; K153-V216 PolarHBondContact N-O 3.08Å; K153-S217 CarbonylContact O-C 2.92Å; K153-S217 WeakPolarHBondContact O-CA 3.11Å; K153-D218 PolarHBondContact O-N 3.15Å; K153-H225 HydrophobicContact CG-CB 4.1Å; K153-H225 VanDerWaalsContact CG-CD2 3.5Å; K153-H225 WeakPolarHBondContact CG-CD2 3.5Å; K153-V252 PolarHBondContact NZ-O 3.42Å
154H95.9Very high90.4Very high2 Ų238.2 Ų38.21%0.00921%0.212CC..  trans-56141.3163.2-162-91.7000111.4S156 C157 W168 E170 D218 T219 L221 L249H154-S156 PolarHBondContact ND1-N 3.27Å; H154-S156 PolarHBondContact ND1-OG 2.87Å; H154-S156 PolarHBondContact O-N 3.42Å; H154-S156 VanDerWaalsContact O-N 3.15Å; H154-C157 WeakPolarHBondContact O-CB 3.31Å; H154-C157 PolarHBondContact O-N 3.37Å; H154-W168 AromaticContact CE1-CH2 3.86Å; H154-W168 AromaticContact CE1-CZ3 3.94Å; H154-E170 IonicContact CE1-OE2 3.44Å; H154-E170 IonicContact NE2-OE2 3.69Å; H154-E170 PolarHBondContact NE2-OE2 3.16Å; H154-D218 WeakPolarHBondContact CA-O 3.19Å; H154-T219 PolarHBondContact CD2-O 3.03Å; H154-L221 WeakPolarHBondContact CB-O 3.34Å; H154-L249 HydrophobicContact CB-CD1 3.91Å; H154-L249 WeakPolarHBondContact ND1-CD1 3.09Å
155P92.7Very high89.5Confident5 Ų538.8 Ų38.83%0.03222%0.215CC..G310 helixtrans-46.7-43.7176.1-28.730.4000114.2C157 F158 L165 W168 T219P155-C157 PolarHBondContact O-N 3.22Å; P155-C157 VanDerWaalsContact O-N 3.1Å; P155-F158 PolarHBondContact O-N 3.24Å; P155-L165 HydrophobicContact CB-CD1 4.39Å; P155-L165 HydrophobicContact CB-CD2 4.39Å; P155-W168 HydrophobicContact CB-CB 4.34Å; P155-W168 HydrophobicContact CB-CD2 3.39Å; P155-W168 HydrophobicContact CB-CE3 3.79Å; P155-W168 HydrophobicContact CB-CG 3.6Å; P155-W168 HydrophobicContact CB-CZ2 4.23Å; P155-W168 HydrophobicContact CB-CZ3 4.35Å; P155-W168 HydrophobicContact CG-CB 4.46Å; P155-W168 HydrophobicContact CG-CD2 3.82Å; P155-W168 HydrophobicContact CG-CE3 3.74Å; P155-W168 HydrophobicContact CG-CG 4.1Å; P155-W168 HydrophobicContact CG-CZ3 4.33Å; P155-T219 HydrophobicContact CG-CG2 3.84Å
156S91.8Very high88.7Confident32 Ų3237 Ų3722%0.22422%0.219CC..G310 helixtrans-62.9-16.618067.40000115.3H154 R159 G250H154-S156 PolarHBondContact ND1-N 3.27Å; H154-S156 PolarHBondContact ND1-OG 2.87Å; H154-S156 PolarHBondContact O-N 3.42Å; H154-S156 VanDerWaalsContact O-N 3.15Å; S156-R159 PolarHBondContact O-NH1 3.47Å; S156-G250 PolarHBondContact OG-N 2.66Å
157C90.3Very high88.1Confident3 Ų339.5 Ų39.52%0.0223%0.226CC..G310 helixtrans-87.6-3.7-179.5-63.60000113.6K153 H154 P155 N192 G250 A251K153-C157 HydrophobicContact CB-CB 3.98Å; K153-C157 HydrophobicContact CD-CB 4.06Å; H154-C157 WeakPolarHBondContact O-CB 3.31Å; H154-C157 PolarHBondContact O-N 3.37Å; P155-C157 PolarHBondContact O-N 3.22Å; P155-C157 VanDerWaalsContact O-N 3.1Å; C157-N192 PolarHBondContact O-ND2 2.87Å; C157-G250 PolarHBondContact SG-N 3.25Å; C157-A251 WeakPolarHBondContact CB-O 3.3Å; C157-A251 PolarHBondContact SG-O 3.1Å; C157-A251 VanDerWaalsContact SG-O 3.37Å
158F88.2Confident87.7Confident13 Ų1343 Ų436%0.05724%0.239CC..  trans-89.2145.4179-70.7-72.4000112.7K153 P155 L160 L165 L177 N192 I215 V216K153-F158 HydrophobicContact CB-CE1 4.36Å; K153-F158 HydrophobicContact CB-CE2 3.77Å; K153-F158 HydrophobicContact CB-CZ 3.68Å; K153-F158 HydrophobicContact CD-CE1 4.14Å; K153-F158 HydrophobicContact CD-CZ 4.29Å; K153-F158 HydrophobicContact CG-CE1 4.28Å; K153-F158 HydrophobicContact CG-CZ 3.97Å; P155-F158 PolarHBondContact O-N 3.24Å; F158-L160 HydrophobicContact CB-CD1 4.21Å; F158-L160 HydrophobicContact CB-CD2 4.14Å; F158-L160 HydrophobicContact CB-CG 3.88Å; F158-L160 HydrophobicContact CD1-CD2 4.03Å; F158-L160 HydrophobicContact CG-CD2 4.37Å; F158-L160 HydrophobicContact CG-CG 4.49Å; F158-L165 HydrophobicContact CB-CD1 3.83Å; F158-L165 HydrophobicContact CD2-CD1 3.71Å; F158-L165 HydrophobicContact CG-CD1 4.07Å; F158-L177 HydrophobicContact CD2-CD1 4.24Å; F158-L177 HydrophobicContact CE2-CD1 4.21Å; F158-N192 HydrophobicContact CD1-CB 4.24Å; F158-N192 VanDerWaalsContact CD1-ND2 3.28Å; F158-N192 WeakPolarHBondContact CD1-ND2 3.48Å; F158-I215 HydrophobicContact CD1-CG2 4.04Å; F158-I215 HydrophobicContact CE1-CG2 3.28Å; F158-I215 HydrophobicContact CZ-CG2 3.61Å; F158-V216 VanDerWaalsContact CZ-O 3.3Å; F158-V216 WeakPolarHBondContact CZ-O 3.49Å
159R83.6Confident87.3Confident123 Ų12345.9 Ų45.946%0.46426%0.258SS..  trans-127.974.8168.9-61.8-64.3179.1-83.3-4.6107.2S156 N191 N192 G250 V252S156-R159 PolarHBondContact O-NH1 3.47Å; R159-N191 HydrophobicContact CB-CB 4.47Å; R159-N192 PolarHBondContact N-OD1 3.48Å; R159-N192 VanDerWaalsContact N-OD1 3.12Å; R159-G250 PolarHBondContact NH2-O 3.12Å; R159-V252 HydrophobicContact CG-CG2 3.59Å
160L79.9Confident86.9Confident31 Ų3150.6 Ų50.616%0.16228%0.281CS..  trans-85.6155.7-177.2-52.4173.4000110F158 V164 L165 L177 F178 A189F158-L160 HydrophobicContact CB-CD1 4.21Å; F158-L160 HydrophobicContact CB-CD2 4.14Å; F158-L160 HydrophobicContact CB-CG 3.88Å; F158-L160 HydrophobicContact CD1-CD2 4.03Å; F158-L160 HydrophobicContact CG-CD2 4.37Å; F158-L160 HydrophobicContact CG-CG 4.49Å; L160-V164 HydrophobicContact CD1-CB 4.24Å; L160-L165 HydrophobicContact CD1-CD1 3.79Å; L160-L165 HydrophobicContact CD1-CG 4.04Å; L160-L177 HydrophobicContact CD1-CD1 3.84Å; L160-F178 HydrophobicContact CD1-CE2 4.13Å; L160-F178 HydrophobicContact CD2-CE2 4.21Å; L160-A189 HydrophobicContact CD2-CB 3.62Å
161T70.8Confident86.6Confident73 Ų7351.9 Ų51.945%0.44831%0.305SS..SBendtrans-79.2126.6162.458.90000109L188T161-L188 PolarHBondContact N-O 2.76Å; T161-L188 WeakPolarHBondContact OG1-CA 3.01Å; T161-L188 PolarHBondContact OG1-O 2.77Å
162G73.7Confident86.4Confident59 Ų5954.8 Ų54.861%0.60832%0.319SS*.SBendtrans88.7174.2-179.800000114.7V164G162-V164 VanDerWaalsContact C-N 3.29Å; G162-V164 PolarHBondContact O-N 3.22Å
163D75.3Confident86.2Confident135 Ų13555.5 Ų55.572%0.72233%0.327SS*.SBendtrans-90.529.7-168.2-65.3-35.5000114L165 S166D163-L165 PolarHBondContact O-N 3.39Å; D163-S166 WeakPolarHBondContact O-CB 3.41Å; D163-S166 PolarHBondContact O-N 2.98Å; D163-S166 PolarHBondContact O-OG 2.93Å
164V76.9Confident86.3Confident53 Ų5361.7 Ų61.732%0.32135%0.351SS..THydrogen-bonded Turntrans-62.4-20.1-172.8-177.40000113.7L160 G162 L177 F178L160-V164 HydrophobicContact CD1-CB 4.24Å; G162-V164 VanDerWaalsContact C-N 3.29Å; G162-V164 PolarHBondContact O-N 3.22Å; V164-L177 HydrophobicContact CG1-CB 4.42Å; V164-L177 HydrophobicContact CG1-CD2 4.31Å; V164-F178 HydrophobicContact CB-CZ 4.43Å; V164-F178 HydrophobicContact CG1-CE2 4.34Å; V164-F178 HydrophobicContact CG1-CZ 4.19Å; V164-F178 HydrophobicContact CG2-CZ 3.88Å
165L80.6Confident86.2Confident27 Ų2764.8 Ų64.814%0.14136%0.362CS..THydrogen-bonded Turntrans-124.637.6175-72.1174.9000110.1P155 F158 L160 D163 W168 L177P155-L165 HydrophobicContact CB-CD1 4.39Å; P155-L165 HydrophobicContact CB-CD2 4.39Å; F158-L165 HydrophobicContact CB-CD1 3.83Å; F158-L165 HydrophobicContact CD2-CD1 3.71Å; F158-L165 HydrophobicContact CG-CD1 4.07Å; L160-L165 HydrophobicContact CD1-CD1 3.79Å; L160-L165 HydrophobicContact CD1-CG 4.04Å; D163-L165 PolarHBondContact O-N 3.39Å; L165-W168 HydrophobicContact CD2-CB 4.22Å; L165-L177 HydrophobicContact CD1-CD1 3.7Å; L165-L177 HydrophobicContact CD2-CD1 3.98Å; L165-L177 HydrophobicContact CD2-CD2 3.63Å; L165-L177 HydrophobicContact CD2-CG 4.46Å; L165-L177 HydrophobicContact CG-CD1 3.89Å; L165-L177 HydrophobicContact CG-CD2 4.19Å
166S80.1Confident86.4Confident91 Ų9167.6 Ų67.664%0.63638%0.379SS*.SBendtrans-80.9-22.217255.80000112.3D163D163-S166 WeakPolarHBondContact O-CB 3.41Å; D163-S166 PolarHBondContact O-N 2.98Å; D163-S166 PolarHBondContact O-OG 2.93Å
167D86.9Confident86.5Confident97 Ų9767 Ų6752%0.51937%0.374SS..SBendtrans-109.34.1-171.672.6-32.2000114.3R175D167-R175 IonicContact OD1-CZ 2.64Å; D167-R175 IonicContact OD1-NH1 3.65Å; D167-R175 PolarHBondContact OD1-NH1 2.99Å; D167-R175 IonicContact OD1-NH2 3.11Å; D167-R175 IonicContact OD2-NH1 3.81Å; D167-R175 PolarHBondContact OD2-NH1 3.16Å; D167-R175 IonicContact OD2-NH2 3.65Å
168W89.9Confident86.6Confident77 Ų7768.8 Ų68.829%0.29238%0.381SS..  trans-67.7148.6-179.174.7-86.8000111.2H154 P155 L165 E170 T219H154-W168 AromaticContact CE1-CH2 3.86Å; H154-W168 AromaticContact CE1-CZ3 3.94Å; P155-W168 HydrophobicContact CB-CB 4.34Å; P155-W168 HydrophobicContact CB-CD2 3.39Å; P155-W168 HydrophobicContact CB-CE3 3.79Å; P155-W168 HydrophobicContact CB-CG 3.6Å; P155-W168 HydrophobicContact CB-CZ2 4.23Å; P155-W168 HydrophobicContact CB-CZ3 4.35Å; P155-W168 HydrophobicContact CG-CB 4.46Å; P155-W168 HydrophobicContact CG-CD2 3.82Å; P155-W168 HydrophobicContact CG-CE3 3.74Å; P155-W168 HydrophobicContact CG-CG 4.1Å; P155-W168 HydrophobicContact CG-CZ3 4.33Å; L165-W168 HydrophobicContact CD2-CB 4.22Å; W168-E170 HydrophobicContact CZ3-CB 4.39Å; W168-T219 HydrophobicContact CE3-CG2 4.28Å
169T90.4Very high87Confident86 Ų8676.8 Ų76.853%0.52841%0.411SS..  trans-124.3147.1176.356.90000111.4G171 E172T169-G171 PolarHBondContact O-N 2.76Å; T169-E172 PolarHBondContact N-OE2 3.17Å; T169-E172 VanDerWaalsContact O-CB 3.27Å; T169-E172 WeakPolarHBondContact O-CB 3.43Å; T169-E172 PolarHBondContact O-N 3.18Å
170E91.4Very high87.7Confident100 Ų10071.7 Ų71.747%0.46740%0.396SS..THydrogen-bonded Turntrans-62.4128.4175.2-172.667.2-156.100109.6H154 W168 K222H154-E170 IonicContact CE1-OE2 3.44Å; H154-E170 IonicContact NE2-OE2 3.69Å; H154-E170 PolarHBondContact NE2-OE2 3.16Å; W168-E170 HydrophobicContact CZ3-CB 4.39Å; E170-K222 WeakPolarHBondContact OE1-CE 3.22Å; E170-K222 IonicContact OE1-NZ 2.71Å; E170-K222 PolarHBondContact OE1-NZ 2.81Å
171G90.6Very high88.5Confident64 Ų6470.7 Ų70.766%0.6639%0.392SS*.THydrogen-bonded Turntrans94-2.4-177.800000115.4T169 G173T169-G171 PolarHBondContact O-N 2.76Å; G171-G173 PolarHBondContact O-N 3.01Å
172E91.9Very high89.8Confident65 Ų6567.2 Ų67.230%0.30437%0.371SS..  trans-60.6-26.2176.9-172.9-174.2110.100113.9T169 R175 T219T169-E172 PolarHBondContact N-OE2 3.17Å; T169-E172 VanDerWaalsContact O-CB 3.27Å; T169-E172 WeakPolarHBondContact O-CB 3.43Å; T169-E172 PolarHBondContact O-N 3.18Å; E172-R175 IonicContact OE1-CZ 3.93Å; E172-R175 IonicContact OE1-NE 3.94Å; E172-R175 PolarHBondContact OE1-NE 3.18Å; E172-R175 IonicContact OE1-NH2 3.59Å; E172-R175 PolarHBondContact OE1-NH2 3.43Å; E172-R175 IonicContact OE2-CZ 2.95Å; E172-R175 IonicContact OE2-NE 3.14Å; E172-R175 IonicContact OE2-NH2 3.39Å; E172-R175 PolarHBondContact OE2-NH2 2.97Å; E172-T219 HydrophobicContact CB-CG2 4.45Å
173G93.9Very high91Very high22 Ų2265.4 Ų65.423%0.22735%0.35CS..  trans82-141-178.700000112.3G171 D218 T219G171-G173 PolarHBondContact O-N 3.01Å; G173-D218 WeakPolarHBondContact O-CA 3.3Å; G173-T219 WeakPolarHBondContact CA-OG1 3.49Å; G173-T219 PolarHBondContact N-OG1 3.1Å; G173-T219 PolarHBondContact O-N 3.33Å
174R96.6Very high91.9Very high138 Ų13863.6 Ų63.652%0.52134%0.34SS..EExtended strand (participates in β ladder)trans-89122.2-170-174.1-175.2-178.8-87.5-2.5111.7E214 V216 S217R174-E214 IonicContact NH2-OE2 3.39Å; R174-E214 PolarHBondContact NH2-OE2 3.04Å; R174-E214 VanDerWaalsContact NH2-OE2 3.14Å; R174-V216 HydrophobicContact CG-CG1 3.52Å; R174-S217 CarbonylContact C-O 3.56Å; R174-S217 WeakPolarHBondContact CA-O 3.28Å
175R95.3Very high92.7Very high66 Ų6661.2 Ų61.225%0.24933%0.326CS..EExtended strand (participates in β ladder)trans-127.5128173.4-179.8-163.9-69.1-159.8-0.2110.2D167 E172 L177 V216 S217D167-R175 IonicContact OD1-CZ 2.64Å; D167-R175 IonicContact OD1-NH1 3.65Å; D167-R175 PolarHBondContact OD1-NH1 2.99Å; D167-R175 IonicContact OD1-NH2 3.11Å; D167-R175 IonicContact OD2-NH1 3.81Å; D167-R175 PolarHBondContact OD2-NH1 3.16Å; D167-R175 IonicContact OD2-NH2 3.65Å; E172-R175 IonicContact OE1-CZ 3.93Å; E172-R175 IonicContact OE1-NE 3.94Å; E172-R175 PolarHBondContact OE1-NE 3.18Å; E172-R175 IonicContact OE1-NH2 3.59Å; E172-R175 PolarHBondContact OE1-NH2 3.43Å; E172-R175 IonicContact OE2-CZ 2.95Å; E172-R175 IonicContact OE2-NE 3.14Å; E172-R175 IonicContact OE2-NH2 3.39Å; E172-R175 PolarHBondContact OE2-NH2 2.97Å; R175-L177 HydrophobicContact CG-CD2 4.04Å; R175-V216 CarbonylContact O-C 3.24Å; R175-V216 WeakPolarHBondContact O-CA 3.25Å; R175-S217 WeakPolarHBondContact CB-OG 3.29Å; R175-S217 PolarHBondContact N-O 3.07Å; R175-S217 PolarHBondContact O-N 3Å; R175-S217 PolarHBondContact O-OG 3.46Å
176V95.8Very high93.4Very high64 Ų6460 Ų6039%0.38832%0.32SS..EExtended strand (participates in β ladder)trans-80.2122171.2178.90000108.1R179 E214 V216V176-R179 HydrophobicContact CG1-CB 4.45Å; V176-E214 HydrophobicContact CG1-CG 3.72Å; V176-V216 HydrophobicContact CG2-CG2 4.19Å
177L93.7Very high93.9Very high21 Ų2159.5 Ų59.511%0.1131%0.314CS..EExtended strand (participates in β ladder)trans-91.6-42.1-178.9-55.3-177.6000111.5F158 L160 V164 L165 R175 I215 S217F158-L177 HydrophobicContact CD2-CD1 4.24Å; F158-L177 HydrophobicContact CE2-CD1 4.21Å; L160-L177 HydrophobicContact CD1-CD1 3.84Å; V164-L177 HydrophobicContact CG1-CB 4.42Å; V164-L177 HydrophobicContact CG1-CD2 4.31Å; L165-L177 HydrophobicContact CD1-CD1 3.7Å; L165-L177 HydrophobicContact CD2-CD1 3.98Å; L165-L177 HydrophobicContact CD2-CD2 3.63Å; L165-L177 HydrophobicContact CD2-CG 4.46Å; L165-L177 HydrophobicContact CG-CD1 3.89Å; L165-L177 HydrophobicContact CG-CD2 4.19Å; R175-L177 HydrophobicContact CG-CD2 4.04Å; L177-I215 HydrophobicContact CB-CG2 4.36Å; L177-I215 HydrophobicContact CD1-CG2 4.13Å; L177-I215 PolarHBondContact N-O 2.87Å; L177-S217 WeakPolarHBondContact CD2-OG 3.49Å
178F93.5Very high94Very high39 Ų3957.9 Ų57.917%0.17131%0.305CS..EExtended strand (participates in β ladder)trans-146.7144.6-179.1-60.6-76.8000110L160 V164 L185 L188 E214 I215L160-F178 HydrophobicContact CD1-CE2 4.13Å; L160-F178 HydrophobicContact CD2-CE2 4.21Å; V164-F178 HydrophobicContact CB-CZ 4.43Å; V164-F178 HydrophobicContact CG1-CE2 4.34Å; V164-F178 HydrophobicContact CG1-CZ 4.19Å; V164-F178 HydrophobicContact CG2-CZ 3.88Å; F178-L185 HydrophobicContact CB-CG 4.36Å; F178-L188 HydrophobicContact CD1-CD1 3.84Å; F178-L188 HydrophobicContact CE1-CD1 3.79Å; F178-L188 HydrophobicContact CZ-CB 4.47Å; F178-L188 HydrophobicContact CZ-CD1 4.47Å; F178-E214 CarbonylContact O-C 3.56Å; F178-E214 VanDerWaalsContact O-CA 3.31Å; F178-E214 WeakPolarHBondContact O-CA 3.36Å; F178-E214 WeakPolarHBondContact O-CG 3.47Å; F178-I215 HydrophobicContact CB-CB 4.39Å; F178-I215 HydrophobicContact CD2-CB 4.34Å; F178-I215 HydrophobicContact CD2-CD1 4.1Å; F178-I215 PolarHBondContact N-O 2.86Å; F178-I215 PolarHBondContact O-N 3.44Å
179R96.3Very high93.8Very high182 Ų18254.2 Ų54.269%0.68729%0.291SS*.EExtended strand (participates in β ladder)trans-145.5131.3169.8-175179.3-179.3161.4-4.4108.8V176 G213 E214V176-R179 HydrophobicContact CG1-CB 4.45Å; R179-G213 WeakPolarHBondContact CA-O 3.27Å; R179-E214 HydrophobicContact CB-CG 4.27Å; R179-E214 WeakPolarHBondContact CD-OE1 3.41Å; R179-E214 HydrophobicContact CG-CG 4.43Å; R179-E214 IonicContact NE-OE1 3.64Å; R179-E214 IonicContact NH1-OE1 3.89Å
180G97.3Very high93.6Very high16 Ų1651.1 Ų51.117%0.16527%0.272CS..EExtended strand (participates in β ladder)trans168-162.7-177.500000112.1Q212 G213G180-Q212 PolarHBondContact O-OE1 3.07Å; G180-G213 PolarHBondContact N-O 2.92Å; G180-G213 PolarHBondContact O-N 2.86Å
181S98.3Very high93.3Very high10 Ų1049.1 Ų49.17%0.0727%0.265CS..EExtended strand (participates in β ladder)trans-69.9151174.777.40000111.2A183 D184 L185 T209 V211S181-A183 PolarHBondContact O-N 2.9Å; S181-D184 PolarHBondContact O-N 2.94Å; S181-D184 PolarHBondContact OG-N 3.19Å; S181-D184 PolarHBondContact OG-OD2 3.31Å; S181-L185 WeakPolarHBondContact O-CD1 3.38Å; S181-L185 PolarHBondContact O-N 3.12Å; S181-L185 VanDerWaalsContact O-N 3.13Å; S181-T209 VanDerWaalsContact CB-O 3.31Å; S181-T209 WeakPolarHBondContact CB-O 3.1Å; S181-V211 WeakPolarHBondContact CA-O 3.49Å
182V98.1Very high93.1Very high0 Ų046.3 Ų46.30%024%0.235CC..Hα-helixtrans-59.8-30.3174.21760000111.1I149 D184 L185 C186 M196 A200 F208 V211I149-V182 HydrophobicContact CG2-CG2 4.34Å; V182-D184 VanDerWaalsContact C-N 3.33Å; V182-D184 PolarHBondContact O-N 3.26Å; V182-L185 PolarHBondContact O-N 2.91Å; V182-C186 WeakPolarHBondContact O-CB 3.42Å; V182-C186 PolarHBondContact O-N 3.4Å; V182-C186 PolarHBondContact O-SG 2.8Å; V182-M196 HydrophobicContact CG1-CB 3.9Å; V182-M196 HydrophobicContact CG2-CB 3.96Å; V182-A200 HydrophobicContact CB-CB 4.49Å; V182-A200 HydrophobicContact CG1-CB 4.2Å; V182-F208 CarbonylContact C-O 3.59Å; V182-F208 HydrophobicContact CG1-CD1 3.81Å; V182-F208 HydrophobicContact CG1-CE1 4.24Å; V182-F208 PolarHBondContact N-O 3.22Å; V182-F208 VanDerWaalsContact N-O 3.16Å; V182-V211 HydrophobicContact CG2-CB 3.95Å; V182-V211 HydrophobicContact CG2-CG1 3.63Å; V182-V211 WeakPolarHBondContact CG2-O 3.07Å; V182-V211 PolarHBondContact N-O 2.77Å
183A97.4Very high93.1Very high21 Ų2143.2 Ų43.217%0.17422%0.22CC..Hα-helixtrans-57.2-43.7173.300000112.3S181 P187 F208S181-A183 PolarHBondContact O-N 2.9Å; A183-P187 WeakPolarHBondContact O-CD 3.13Å; A183-F208 HydrophobicContact CB-CB 3.92Å; A183-F208 PolarHBondContact N-O 3.06Å
184D95.2Very high93.2Very high97 Ų9744 Ų4452%0.51922%0.219SC..Hα-helixtrans-75.3-33.9-179.7-54.5-43.2000112.2S181 V182 P187 L188S181-D184 PolarHBondContact O-N 2.94Å; S181-D184 PolarHBondContact OG-N 3.19Å; S181-D184 PolarHBondContact OG-OD2 3.31Å; V182-D184 VanDerWaalsContact C-N 3.33Å; V182-D184 PolarHBondContact O-N 3.26Å; D184-P187 WeakPolarHBondContact O-CD 3.21Å; D184-P187 WeakPolarHBondContact O-CG 3.41Å; D184-L188 WeakPolarHBondContact O-CD1 3.46Å; D184-L188 WeakPolarHBondContact O-CG 3.36Å
185L94Very high93.1Very high3 Ų338 Ų382%0.01620%0.198CC..Hα-helixtrans-73.9-33.5-178.6-88.777.2000112.8F178 S181 V182 L188 A189 V193 M196 I215F178-L185 HydrophobicContact CB-CG 4.36Å; S181-L185 WeakPolarHBondContact O-CD1 3.38Å; S181-L185 PolarHBondContact O-N 3.12Å; S181-L185 VanDerWaalsContact O-N 3.13Å; V182-L185 PolarHBondContact O-N 2.91Å; L185-L188 PolarHBondContact O-N 3.44Å; L185-A189 PolarHBondContact O-N 2.98Å; L185-A189 VanDerWaalsContact O-N 3.07Å; L185-V193 HydrophobicContact CB-CG1 4.35Å; L185-M196 HydrophobicContact CD2-CE 4.3Å; L185-M196 HydrophobicContact CD2-SD 3.76Å; L185-I215 HydrophobicContact CD2-CD1 4.07Å; L185-I215 HydrophobicContact CD2-CG1 3.85Å
186C94.9Very high93.2Very high2 Ų234.9 Ų34.91%0.01419%0.187CC..Hα-helixtrans-55-48.7-178.5-80.20000115.3S103 V182 L188 P190 V193S103-C186 WeakPolarHBondContact OG-CB 3.36Å; V182-C186 WeakPolarHBondContact O-CB 3.42Å; V182-C186 PolarHBondContact O-N 3.4Å; V182-C186 PolarHBondContact O-SG 2.8Å; C186-L188 VanDerWaalsContact C-N 3.34Å; C186-P190 VanDerWaalsContact O-CA 3.28Å; C186-P190 WeakPolarHBondContact O-CA 3.26Å; C186-V193 HydrophobicContact CB-CG2 4.36Å
187P91.3Very high93.3Very high79 Ų7931.9 Ų31.951%0.51317%0.168SC..Hα-helixtrans-69.6-28177.625.3-33.8000113.5A183 D184A183-P187 WeakPolarHBondContact O-CD 3.13Å; D184-P187 WeakPolarHBondContact O-CD 3.21Å; D184-P187 WeakPolarHBondContact O-CG 3.41Å
188L88.4Confident93.5Very high63 Ų6330.9 Ų30.933%0.3316%0.163SC..Hα-helixtrans-78.4-32.5-177.6-62.4174.1000113.4T161 F178 D184 L185 C186T161-L188 PolarHBondContact N-O 2.76Å; T161-L188 WeakPolarHBondContact OG1-CA 3.01Å; T161-L188 PolarHBondContact OG1-O 2.77Å; F178-L188 HydrophobicContact CD1-CD1 3.84Å; F178-L188 HydrophobicContact CE1-CD1 3.79Å; F178-L188 HydrophobicContact CZ-CB 4.47Å; F178-L188 HydrophobicContact CZ-CD1 4.47Å; D184-L188 WeakPolarHBondContact O-CD1 3.46Å; D184-L188 WeakPolarHBondContact O-CG 3.36Å; L185-L188 PolarHBondContact O-N 3.44Å; C186-L188 VanDerWaalsContact C-N 3.34Å
189A86.7Confident93.8Very high0 Ų029 Ų290%016%0.155CC..SBendtrans-140.453-174.700000112.9L160 L185 N191 N192 V193 I215L160-A189 HydrophobicContact CD2-CB 3.62Å; L185-A189 PolarHBondContact O-N 2.98Å; L185-A189 VanDerWaalsContact O-N 3.07Å; A189-N191 PolarHBondContact O-N 3.4Å; A189-N192 HydrophobicContact CB-CB 4.3Å; A189-N192 PolarHBondContact O-N 2.89Å; A189-V193 HydrophobicContact CB-CG1 3.89Å; A189-V193 WeakPolarHBondContact O-CG2 3.17Å; A189-V193 PolarHBondContact O-N 3.28Å; A189-I215 HydrophobicContact CB-CD1 3.55Å
190P85.5Confident93.9Very high21 Ų2120.4 Ų20.414%0.13612%0.122CC..THydrogen-bonded Turntrans-55.4-32.8-167.217.3-30.9000114.6P78 S100 C186 N194P78-P190 HydrophobicContact CG-CB 3.84Å; S100-P190 PolarHBondContact OG-O 3.41Å; C186-P190 VanDerWaalsContact O-CA 3.28Å; C186-P190 WeakPolarHBondContact O-CA 3.26Å; P190-N194 PolarHBondContact O-OD1 2.89Å
191N83.8Confident93.9Very high59 Ų5920.1 Ų20.132%0.31612%0.118SC..THydrogen-bonded Turntrans-81.5-16-179.4-61.5-60000113.8R159 A189 V252R159-N191 HydrophobicContact CB-CB 4.47Å; A189-N191 PolarHBondContact O-N 3.4Å; N191-V252 HydrophobicContact CB-CG1 4.28Å; N191-V252 WeakPolarHBondContact O-CG1 3.42Å
192N87.2Confident93.9Very high4 Ų419.7 Ų19.72%0.02112%0.115CC..THydrogen-bonded Turntrans-107.6-16.9-172.4-73.183.9000113K153 C157 F158 R159 A189K153-N192 PolarHBondContact NZ-ND2 2.91Å; K153-N192 VanDerWaalsContact NZ-ND2 3.12Å; C157-N192 PolarHBondContact O-ND2 2.87Å; F158-N192 HydrophobicContact CD1-CB 4.24Å; F158-N192 VanDerWaalsContact CD1-ND2 3.28Å; F158-N192 WeakPolarHBondContact CD1-ND2 3.48Å; R159-N192 PolarHBondContact N-OD1 3.48Å; R159-N192 VanDerWaalsContact N-OD1 3.12Å; A189-N192 HydrophobicContact CB-CB 4.3Å; A189-N192 PolarHBondContact O-N 2.89Å
193V92.5Very high93.9Very high0 Ų019.7 Ų19.70%012%0.115CC..  trans-107.79.3-171-61.50000114.3L185 C186 A189 T195 M196 A197 I215L185-V193 HydrophobicContact CB-CG1 4.35Å; C186-V193 HydrophobicContact CB-CG2 4.36Å; A189-V193 HydrophobicContact CB-CG1 3.89Å; A189-V193 WeakPolarHBondContact O-CG2 3.17Å; A189-V193 PolarHBondContact O-N 3.28Å; V193-T195 PolarHBondContact O-N 3.15Å; V193-M196 HydrophobicContact CB-CB 4.38Å; V193-M196 HydrophobicContact CB-CG 4.44Å; V193-M196 HydrophobicContact CB-SD 4.15Å; V193-M196 HydrophobicContact CG1-SD 3.86Å; V193-M196 WeakPolarHBondContact O-CA 3.47Å; V193-M196 WeakPolarHBondContact O-CB 3.46Å; V193-M196 PolarHBondContact O-N 2.79Å; V193-A197 PolarHBondContact O-N 3.23Å; V193-I215 HydrophobicContact CG1-CD1 3.68Å; V193-I215 HydrophobicContact CG1-CG1 4.38Å
194N94.8Very high93.9Very high38 Ų3820.8 Ų20.820%0.20313%0.128CC..Hα-helixtrans-56.2-35.4177.7-73.8-21.9000112.7G97 P99 S100 P190 A197 A198G97-N194 PolarHBondContact O-ND2 3.24Å; P99-N194 HydrophobicContact CG-CB 4.02Å; P99-N194 WeakPolarHBondContact CG-O 3.38Å; S100-N194 PolarHBondContact N-OD1 3.43Å; S100-N194 PolarHBondContact OG-OD1 2.84Å; S100-N194 VanDerWaalsContact OG-OD1 3.1Å; P190-N194 PolarHBondContact O-OD1 2.89Å; N194-A197 PolarHBondContact O-N 2.9Å; N194-A198 PolarHBondContact O-N 2.96Å
195T95.8Very high94Very high14 Ų1423 Ų239%0.08613%0.133CC..Hα-helixtrans-66.8-37.3174.4-53.20000112.7A128 L129 I149 V193 A198 A199 V227A128-T195 HydrophobicContact CB-CG2 3.95Å; A128-T195 WeakPolarHBondContact CB-OG1 3.13Å; L129-T195 HydrophobicContact CB-CG2 3.9Å; I149-T195 HydrophobicContact CD1-CG2 3.91Å; V193-T195 PolarHBondContact O-N 3.15Å; T195-A198 PolarHBondContact O-N 3.09Å; T195-A199 PolarHBondContact O-N 3.32Å; T195-V227 HydrophobicContact CG2-CG1 4.07Å
196M97.8Very high94.2Very high0 Ų024.9 Ų24.90%014%0.143CC..Hα-helixtrans-68.5-40.6175.5-54.8-178.317100110.9I149 M151 V182 L185 V193 A199 A200 E214 I215I149-M196 HydrophobicContact CD1-CG 4.1Å; I149-M196 HydrophobicContact CG1-CG 4.13Å; I149-M196 HydrophobicContact CG2-CB 3.84Å; I149-M196 HydrophobicContact CG2-CG 3.64Å; I149-M196 HydrophobicContact CG2-SD 4.39Å; M151-M196 HydrophobicContact CB-CE 3.66Å; V182-M196 HydrophobicContact CG1-CB 3.9Å; V182-M196 HydrophobicContact CG2-CB 3.96Å; L185-M196 HydrophobicContact CD2-CE 4.3Å; L185-M196 HydrophobicContact CD2-SD 3.76Å; V193-M196 HydrophobicContact CB-CB 4.38Å; V193-M196 HydrophobicContact CB-CG 4.44Å; V193-M196 HydrophobicContact CB-SD 4.15Å; V193-M196 HydrophobicContact CG1-SD 3.86Å; V193-M196 WeakPolarHBondContact O-CA 3.47Å; V193-M196 WeakPolarHBondContact O-CB 3.46Å; V193-M196 PolarHBondContact O-N 2.79Å; M196-A199 WeakPolarHBondContact O-CB 3.34Å; M196-A199 PolarHBondContact O-N 3.23Å; M196-A199 VanDerWaalsContact O-N 3.15Å; M196-A200 PolarHBondContact O-N 3.1Å; M196-E214 WeakPolarHBondContact CE-O 3.42Å; M196-I215 HydrophobicContact CE-CG1 3.98Å
197A97.9Very high94.4Very high0 Ų025.6 Ų25.60%015%0.151CC..Hα-helixtrans-63.1-41.4174.200000112.2P99 V193 N194 A199 A200 V201 F208P99-A197 VanDerWaalsContact C-CB 3.48Å; P99-A197 HydrophobicContact CB-CB 3.97Å; P99-A197 HydrophobicContact CG-CB 4.03Å; P99-A197 WeakPolarHBondContact O-CB 3.44Å; V193-A197 PolarHBondContact O-N 3.23Å; N194-A197 PolarHBondContact O-N 2.9Å; A197-A199 VanDerWaalsContact C-N 3.28Å; A197-A199 PolarHBondContact O-N 2.94Å; A197-A200 PolarHBondContact O-N 3.31Å; A197-V201 WeakPolarHBondContact O-CG2 3.5Å; A197-V201 PolarHBondContact O-N 3.01Å; A197-F208 HydrophobicContact CB-CE1 3.6Å; A197-F208 HydrophobicContact CB-CZ 3.97Å
198A98Very high94.7Very high0 Ų022.6 Ų22.60%013%0.13CC..Hα-helixtrans-60.5-38.9172.400000111.8V124 L129 N194 T195 V201 A202 L277V124-A198 HydrophobicContact CG1-CB 4.17Å; L129-A198 HydrophobicContact CD2-CB 4.11Å; N194-A198 PolarHBondContact O-N 2.96Å; T195-A198 PolarHBondContact O-N 3.09Å; A198-V201 PolarHBondContact O-N 3.27Å; A198-A202 PolarHBondContact O-N 3.14Å; A198-L277 HydrophobicContact CB-CD1 4.23Å
199A98.4Very high95.2Very high0 Ų024.9 Ų24.90%015%0.146CC..Hα-helixtrans-65.5-41.317600000112L129 L147 I149 T195 M196 A197 V201 A202 A203L129-A199 HydrophobicContact CD1-CB 3.92Å; L129-A199 HydrophobicContact CD2-CB 4.1Å; L147-A199 HydrophobicContact CD2-CB 4.02Å; I149-A199 HydrophobicContact CD1-CB 4.2Å; T195-A199 PolarHBondContact O-N 3.32Å; M196-A199 WeakPolarHBondContact O-CB 3.34Å; M196-A199 PolarHBondContact O-N 3.23Å; M196-A199 VanDerWaalsContact O-N 3.15Å; A197-A199 VanDerWaalsContact C-N 3.28Å; A197-A199 PolarHBondContact O-N 2.94Å; A199-V201 VanDerWaalsContact C-N 3.32Å; A199-V201 PolarHBondContact O-N 3.34Å; A199-A202 WeakPolarHBondContact O-CB 3.34Å; A199-A202 PolarHBondContact O-N 3.19Å; A199-A203 WeakPolarHBondContact O-CB 3.21Å; A199-A203 PolarHBondContact O-N 2.91Å
200A98.4Very high95.7Very high1 Ų126.3 Ų26.31%0.00816%0.161CC..Hα-helixtrans-63.4-35.1173.300000113V182 M196 A197 A203 F208 V211V182-A200 HydrophobicContact CB-CB 4.49Å; V182-A200 HydrophobicContact CG1-CB 4.2Å; M196-A200 PolarHBondContact O-N 3.1Å; A197-A200 PolarHBondContact O-N 3.31Å; A200-A203 CarbonylContact O-C 3.6Å; A200-F208 HydrophobicContact CB-CB 4.44Å; A200-F208 HydrophobicContact CB-CD1 3.97Å; A200-F208 HydrophobicContact CB-CD2 3.84Å; A200-F208 HydrophobicContact CB-CE1 4.12Å; A200-F208 HydrophobicContact CB-CE2 3.96Å; A200-F208 HydrophobicContact CB-CG 3.82Å; A200-F208 HydrophobicContact CB-CZ 4.09Å; A200-V211 HydrophobicContact CB-CB 4.43Å; A200-V211 HydrophobicContact CB-CG2 4.31Å
201V98.3Very high96.3Very high11 Ų1125.3 Ų25.37%0.06716%0.155CC..Hα-helixtrans-68.2-41.8172.8171.10000111.3L102 V124 A197 A198 A199 A203 F208 V275L102-V201 HydrophobicContact CD1-CG2 4.12Å; V124-V201 HydrophobicContact CB-CG1 4.27Å; V124-V201 HydrophobicContact CG1-CB 4.45Å; V124-V201 HydrophobicContact CG1-CG1 4.46Å; V124-V201 HydrophobicContact CG1-CG2 4.38Å; V124-V201 HydrophobicContact CG2-CG1 4.16Å; V124-V201 HydrophobicContact CG2-CG2 4.3Å; A197-V201 WeakPolarHBondContact O-CG2 3.5Å; A197-V201 PolarHBondContact O-N 3.01Å; A198-V201 PolarHBondContact O-N 3.27Å; A199-V201 VanDerWaalsContact C-N 3.32Å; A199-V201 PolarHBondContact O-N 3.34Å; V201-A203 VanDerWaalsContact C-N 3.33Å; V201-F208 HydrophobicContact CG2-CE2 4Å; V201-F208 HydrophobicContact CG2-CZ 4.08Å; V201-V275 HydrophobicContact CG1-CG1 3.83Å
202A98.2Very high97.1Very high1 Ų126.3 Ų26.31%0.00816%0.157CC..Hα-helixtrans-62.4-41.4175.700000111.7I135 Q136 A198 A199 G204 L277I135-A202 HydrophobicContact CB-CB 4.26Å; I135-A202 HydrophobicContact CG2-CB 3.87Å; Q136-A202 WeakPolarHBondContact CA-O 3.39Å; A198-A202 PolarHBondContact O-N 3.14Å; A199-A202 WeakPolarHBondContact O-CB 3.34Å; A199-A202 PolarHBondContact O-N 3.19Å; A202-G204 VanDerWaalsContact C-N 3.29Å; A202-G204 PolarHBondContact O-N 3.41Å; A202-L277 HydrophobicContact CB-CD2 3.76Å
203A98.3Very high97.6Very high0 Ų026.1 Ų26.10%016%0.156CC..THydrogen-bonded Turntrans-89.750.3177.500000112.5I135 N139 L144 L147 A199 A200 V201 K205 L206 G207 V211I135-A203 HydrophobicContact CG2-CB 4.05Å; N139-A203 VanDerWaalsContact OD1-C 3.3Å; L144-A203 HydrophobicContact CD2-CB 3.45Å; L144-A203 VanDerWaalsContact CD2-CB 3.45Å; L147-A203 HydrophobicContact CD2-CB 3.69Å; A199-A203 WeakPolarHBondContact O-CB 3.21Å; A199-A203 PolarHBondContact O-N 2.91Å; A200-A203 CarbonylContact O-C 3.6Å; V201-A203 VanDerWaalsContact C-N 3.33Å; A203-K205 PolarHBondContact O-N 3.01Å; A203-L206 HydrophobicContact CB-CB 4.29Å; A203-L206 HydrophobicContact CB-CD1 4.33Å; A203-L206 PolarHBondContact O-N 3.45Å; A203-G207 PolarHBondContact O-N 3.35Å; A203-V211 HydrophobicContact CB-CG2 3.84Å
204G96.8Very high97.8Very high44 Ų4426.3 Ų26.345%0.45416%0.157SC..THydrogen-bonded Turntrans-52.3-29-16800000116.7N139 A202N139-G204 PolarHBondContact OD1-N 3Å; N139-G204 VanDerWaalsContact OD1-N 3.15Å; A202-G204 VanDerWaalsContact C-N 3.29Å; A202-G204 PolarHBondContact O-N 3.41Å
205K97.2Very high97.9Very high142 Ų14224.6 Ų24.662%0.61715%0.148SC*.THydrogen-bonded Turntrans-73.8-35175.6-70177-179.41610113N139 D140 A203N139-K205 WeakPolarHBondContact O-CD 3.34Å; N139-K205 WeakPolarHBondContact O-CE 3.48Å; N139-K205 PolarHBondContact O-NZ 2.83Å; N139-K205 VanDerWaalsContact OD1-CB 3.3Å; N139-K205 WeakPolarHBondContact OD1-CB 3.31Å; N139-K205 WeakPolarHBondContact OD1-CG 3.28Å; N139-K205 PolarHBondContact OD1-N 3.36Å; D140-K205 PolarHBondContact O-NZ 2.87Å; A203-K205 PolarHBondContact O-N 3.01Å
206L98.3Very high97.9Very high44 Ų4423.9 Ų23.923%0.2314%0.144CC..THydrogen-bonded Turntrans-76.1-40.6171-64.2178.6000110.1L144 L147 A203 G210 V211L144-L206 HydrophobicContact CD2-CD1 3.94Å; L144-L206 HydrophobicContact CG-CD1 4.06Å; L147-L206 HydrophobicContact CB-CD1 3.93Å; A203-L206 HydrophobicContact CB-CB 4.29Å; A203-L206 HydrophobicContact CB-CD1 4.33Å; A203-L206 PolarHBondContact O-N 3.45Å; L206-G210 VanDerWaalsContact O-CA 3.24Å; L206-G210 WeakPolarHBondContact O-CA 3.33Å; L206-G210 PolarHBondContact O-N 3.13Å; L206-V211 HydrophobicContact CB-CG2 3.94Å; L206-V211 HydrophobicContact CD1-CG2 4.37Å
207G97.9Very high97.8Very high17 Ų1724 Ų2418%0.17514%0.144CC..Hα-helixtrans60.5-166.7-179.300000113.2A203 T209 G210 V211A203-G207 PolarHBondContact O-N 3.35Å; G207-T209 VanDerWaalsContact C-N 3.3Å; G207-T209 PolarHBondContact O-N 3.44Å; G207-G210 PolarHBondContact O-N 2.9Å; G207-V211 VanDerWaalsContact O-CG2 3.31Å; G207-V211 WeakPolarHBondContact O-CG2 3.4Å; G207-V211 PolarHBondContact O-N 2.63Å; G207-V211 VanDerWaalsContact O-N 3.12Å
208F98.4Very high97.8Very high16 Ų1625.5 Ų25.57%0.0715%0.152CC..Hα-helixtrans-65.5-32.8-176.6-76-103.5000112.9L102 S103 V182 A183 A197 A200 V201L102-F208 HydrophobicContact CB-CE2 4Å; L102-F208 HydrophobicContact CB-CZ 3.69Å; L102-F208 WeakPolarHBondContact O-CE2 3.35Å; S103-F208 VanDerWaalsContact CA-CD1 3.45Å; V182-F208 CarbonylContact C-O 3.59Å; V182-F208 HydrophobicContact CG1-CD1 3.81Å; V182-F208 HydrophobicContact CG1-CE1 4.24Å; V182-F208 PolarHBondContact N-O 3.22Å; V182-F208 VanDerWaalsContact N-O 3.16Å; A183-F208 HydrophobicContact CB-CB 3.92Å; A183-F208 PolarHBondContact N-O 3.06Å; A197-F208 HydrophobicContact CB-CE1 3.6Å; A197-F208 HydrophobicContact CB-CZ 3.97Å; A200-F208 HydrophobicContact CB-CB 4.44Å; A200-F208 HydrophobicContact CB-CD1 3.97Å; A200-F208 HydrophobicContact CB-CD2 3.84Å; A200-F208 HydrophobicContact CB-CE1 4.12Å; A200-F208 HydrophobicContact CB-CE2 3.96Å; A200-F208 HydrophobicContact CB-CG 3.82Å; A200-F208 HydrophobicContact CB-CZ 4.09Å; V201-F208 HydrophobicContact CG2-CE2 4Å; V201-F208 HydrophobicContact CG2-CZ 4.08Å
209T98.3Very high97.7Very high110 Ų11025.9 Ų25.968%0.67516%0.155SC*.Hα-helixtrans-76.8-36.2179.3-50.20000112.5S181 G207S181-T209 VanDerWaalsContact CB-O 3.31Å; S181-T209 WeakPolarHBondContact CB-O 3.1Å; G207-T209 VanDerWaalsContact C-N 3.3Å; G207-T209 PolarHBondContact O-N 3.44Å
210G98.3Very high97.5Very high31 Ų3129.4 Ų29.432%0.3218%0.184SC..Hα-helixtrans-83.8-30.1-176.500000114.3L206 G207L206-G210 VanDerWaalsContact O-CA 3.24Å; L206-G210 WeakPolarHBondContact O-CA 3.33Å; L206-G210 PolarHBondContact O-N 3.13Å; G207-G210 PolarHBondContact O-N 2.9Å
211V98.8Very high97.4Very high0 Ų030.3 Ų30.30%019%0.189CC..SBendtrans-74.8130.2176.2179.40000110L147 I149 S181 V182 A200 A203 L206 G207L147-V211 HydrophobicContact CB-CG1 4.19Å; L147-V211 HydrophobicContact CB-CG2 4.12Å; L147-V211 HydrophobicContact CD2-CG1 3.93Å; L147-V211 HydrophobicContact CD2-CG2 3.91Å; L147-V211 HydrophobicContact CG-CG1 4.05Å; L147-V211 HydrophobicContact CG-CG2 4.46Å; I149-V211 HydrophobicContact CG2-CG1 4.29Å; S181-V211 WeakPolarHBondContact CA-O 3.49Å; V182-V211 HydrophobicContact CG2-CB 3.95Å; V182-V211 HydrophobicContact CG2-CG1 3.63Å; V182-V211 WeakPolarHBondContact CG2-O 3.07Å; V182-V211 PolarHBondContact N-O 2.77Å; A200-V211 HydrophobicContact CB-CB 4.43Å; A200-V211 HydrophobicContact CB-CG2 4.31Å; A203-V211 HydrophobicContact CB-CG2 3.84Å; L206-V211 HydrophobicContact CB-CG2 3.94Å; L206-V211 HydrophobicContact CD1-CG2 4.37Å; G207-V211 VanDerWaalsContact O-CG2 3.31Å; G207-V211 WeakPolarHBondContact O-CG2 3.4Å; G207-V211 PolarHBondContact O-N 2.63Å; G207-V211 VanDerWaalsContact O-N 3.12Å
212Q98.6Very high97.1Very high79 Ų7934.4 Ų34.437%0.36921%0.206SC..EExtended strand (participates in β ladder)trans-92.8137.2178.8-63-60-56.100110.9L147 F148 I149 G180L147-Q212 PolarHBondContact O-N 2.88Å; F148-Q212 CarbonylContact C-O 3.58Å; F148-Q212 VanDerWaalsContact CA-O 3.31Å; F148-Q212 WeakPolarHBondContact CA-O 3.46Å; F148-Q212 HydrophobicContact CB-CB 4.48Å; F148-Q212 HydrophobicContact CD2-CB 3.84Å; I149-Q212 PolarHBondContact N-O 3.02Å; G180-Q212 PolarHBondContact O-OE1 3.07Å
213G98.1Very high97Very high0 Ų039.6 Ų39.60%023%0.233CC..EExtended strand (participates in β ladder)trans-124.7148.6-179.600000112.5I149 R179 G180I149-G213 CarbonylContact O-C 3.46Å; I149-G213 VanDerWaalsContact O-CA 3.25Å; I149-G213 WeakPolarHBondContact O-CA 3.45Å; R179-G213 WeakPolarHBondContact CA-O 3.27Å; G180-G213 PolarHBondContact N-O 2.92Å; G180-G213 PolarHBondContact O-N 2.86Å
214E97.6Very high96.8Very high5 Ų543.3 Ų43.32%0.02325%0.25CC..EExtended strand (participates in β ladder)trans-136.9129.8170.9-167.8175.6-96.100110.8F148 I149 R150 M151 R174 V176 F178 R179 M196 V216F148-E214 HydrophobicContact CE2-CB 3.8Å; F148-E214 HydrophobicContact CZ-CB 3.62Å; I149-E214 PolarHBondContact O-N 3.14Å; R150-E214 CarbonylContact C-O 3.53Å; R150-E214 VanDerWaalsContact CA-O 3.29Å; R150-E214 WeakPolarHBondContact CA-O 3.44Å; R150-E214 HydrophobicContact CB-CB 4.36Å; R150-E214 HydrophobicContact CG-CB 4.17Å; R150-E214 IonicContact CZ-OE2 3.85Å; R150-E214 IonicContact NE-OE2 3.86Å; R150-E214 PolarHBondContact NE-OE2 3.32Å; R150-E214 IonicContact NH2-OE2 3.34Å; R150-E214 PolarHBondContact NH2-OE2 3.42Å; R150-E214 VanDerWaalsContact NH2-OE2 3.15Å; M151-E214 PolarHBondContact N-O 2.84Å; R174-E214 IonicContact NH2-OE2 3.39Å; R174-E214 PolarHBondContact NH2-OE2 3.04Å; R174-E214 VanDerWaalsContact NH2-OE2 3.14Å; V176-E214 HydrophobicContact CG1-CG 3.72Å; F178-E214 CarbonylContact O-C 3.56Å; F178-E214 VanDerWaalsContact O-CA 3.31Å; F178-E214 WeakPolarHBondContact O-CA 3.36Å; F178-E214 WeakPolarHBondContact O-CG 3.47Å; R179-E214 HydrophobicContact CB-CG 4.27Å; R179-E214 WeakPolarHBondContact CD-OE1 3.41Å; R179-E214 HydrophobicContact CG-CG 4.43Å; R179-E214 IonicContact NE-OE1 3.64Å; R179-E214 IonicContact NH1-OE1 3.89Å; M196-E214 WeakPolarHBondContact CE-O 3.42Å; E214-V216 HydrophobicContact CG-CG2 3.85Å
215I96.3Very high96.6Very high1 Ų141.5 Ų41.51%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-106125.8172.8-61.2174.6000108.2F158 L177 F178 L185 A189 V193 M196F158-I215 HydrophobicContact CD1-CG2 4.04Å; F158-I215 HydrophobicContact CE1-CG2 3.28Å; F158-I215 HydrophobicContact CZ-CG2 3.61Å; L177-I215 HydrophobicContact CB-CG2 4.36Å; L177-I215 HydrophobicContact CD1-CG2 4.13Å; L177-I215 PolarHBondContact N-O 2.87Å; F178-I215 HydrophobicContact CB-CB 4.39Å; F178-I215 HydrophobicContact CD2-CB 4.34Å; F178-I215 HydrophobicContact CD2-CD1 4.1Å; F178-I215 PolarHBondContact N-O 2.86Å; F178-I215 PolarHBondContact O-N 3.44Å; L185-I215 HydrophobicContact CD2-CD1 4.07Å; L185-I215 HydrophobicContact CD2-CG1 3.85Å; A189-I215 HydrophobicContact CB-CD1 3.55Å; V193-I215 HydrophobicContact CG1-CD1 3.68Å; V193-I215 HydrophobicContact CG1-CG1 4.38Å; M196-I215 HydrophobicContact CE-CG1 3.98Å
216V96.7Very high96.6Very high0 Ų035.2 Ų35.20%020%0.203CC..EExtended strand (participates in β ladder)trans-125.2127.5-175.8179.90000109.6R150 M151 S152 K153 F158 R174 R175 V176 E214R150-V216 HydrophobicContact CG-CG2 3.79Å; M151-V216 PolarHBondContact O-N 2.9Å; S152-V216 VanDerWaalsContact CA-O 3.25Å; S152-V216 WeakPolarHBondContact CA-O 3.31Å; K153-V216 PolarHBondContact N-O 3.08Å; F158-V216 VanDerWaalsContact CZ-O 3.3Å; F158-V216 WeakPolarHBondContact CZ-O 3.49Å; R174-V216 HydrophobicContact CG-CG1 3.52Å; R175-V216 CarbonylContact O-C 3.24Å; R175-V216 WeakPolarHBondContact O-CA 3.25Å; V176-V216 HydrophobicContact CG2-CG2 4.19Å; E214-V216 HydrophobicContact CG-CG2 3.85Å
217S95.8Very high96.6Very high1 Ų133.2 Ų33.21%0.00719%0.192CC..EExtended strand (participates in β ladder)trans-88.4138.2162.955.50000110.4K153 R174 R175 L177K153-S217 CarbonylContact O-C 2.92Å; K153-S217 WeakPolarHBondContact O-CA 3.11Å; R174-S217 CarbonylContact C-O 3.56Å; R174-S217 WeakPolarHBondContact CA-O 3.28Å; R175-S217 WeakPolarHBondContact CB-OG 3.29Å; R175-S217 PolarHBondContact N-O 3.07Å; R175-S217 PolarHBondContact O-N 3Å; R175-S217 PolarHBondContact O-OG 3.46Å; L177-S217 WeakPolarHBondContact CD2-OG 3.49Å
218D96.8Very high96.6Very high32 Ų3234 Ų3417%0.17119%0.192CC..EExtended strand (participates in β ladder)trans-145.5112.4177.3-175.1-13.6000109.6K153 H154 G173 A220 L221K153-D218 PolarHBondContact O-N 3.15Å; H154-D218 WeakPolarHBondContact CA-O 3.19Å; G173-D218 WeakPolarHBondContact O-CA 3.3Å; D218-A220 PolarHBondContact O-N 2.91Å; D218-A220 VanDerWaalsContact OD1-CB 3.24Å; D218-A220 WeakPolarHBondContact OD1-CB 3.48Å; D218-A220 PolarHBondContact OD1-N 3.42Å; D218-L221 HydrophobicContact CB-CB 4.48Å; D218-L221 HydrophobicContact CB-CD1 3.83Å; D218-L221 HydrophobicContact CB-CG 3.85Å; D218-L221 WeakPolarHBondContact O-CB 3.38Å; D218-L221 PolarHBondContact O-N 2.88Å; D218-L221 VanDerWaalsContact O-N 3.1Å
219T95.8Very high96.6Very high8 Ų833.6 Ų33.65%0.04919%0.19CC..THydrogen-bonded Turntrans-66-15.8-179.656.40000113.1H154 P155 W168 E172 G173 L221 K222H154-T219 PolarHBondContact CD2-O 3.03Å; P155-T219 HydrophobicContact CG-CG2 3.84Å; W168-T219 HydrophobicContact CE3-CG2 4.28Å; E172-T219 HydrophobicContact CB-CG2 4.45Å; G173-T219 WeakPolarHBondContact CA-OG1 3.49Å; G173-T219 PolarHBondContact N-OG1 3.1Å; G173-T219 PolarHBondContact O-N 3.33Å; T219-L221 VanDerWaalsContact C-N 3.29Å; T219-K222 WeakPolarHBondContact O-CE 3.49Å
220A95.8Very high96.6Very high75 Ų7532 Ų3262%0.6218%0.175SC*.THydrogen-bonded Turntrans-74.5-19.2173.900000112.7D218 K222D218-A220 PolarHBondContact O-N 2.91Å; D218-A220 VanDerWaalsContact OD1-CB 3.24Å; D218-A220 WeakPolarHBondContact OD1-CB 3.48Å; D218-A220 PolarHBondContact OD1-N 3.42Å; A220-K222 VanDerWaalsContact C-N 3.29Å; A220-K222 PolarHBondContact O-N 3.32Å
221L95.4Very high96.6Very high20 Ų2030.9 Ų30.911%0.10516%0.162CC..  trans-84.261.2-174.8-66.7-176.8000113.3S152 H154 D218 T219 V226S152-L221 VanDerWaalsContact C-CD1 3.48Å; S152-L221 VanDerWaalsContact CB-CD1 3.5Å; S152-L221 WeakPolarHBondContact O-CD1 3.33Å; H154-L221 WeakPolarHBondContact CB-O 3.34Å; D218-L221 HydrophobicContact CB-CB 4.48Å; D218-L221 HydrophobicContact CB-CD1 3.83Å; D218-L221 HydrophobicContact CB-CG 3.85Å; D218-L221 WeakPolarHBondContact O-CB 3.38Å; D218-L221 PolarHBondContact O-N 2.88Å; D218-L221 VanDerWaalsContact O-N 3.1Å; T219-L221 VanDerWaalsContact C-N 3.29Å; L221-V226 HydrophobicContact CD1-CB 4.46Å; L221-V226 HydrophobicContact CD1-CG2 4.01Å; L221-V226 HydrophobicContact CD2-CG2 3.72Å
222K92.9Very high96.6Very high97 Ų9733.7 Ų33.742%0.42218%0.18SC..SBendtrans-74.8-32.4-176.5-62.6-172.3177.2-169.70114.2E170 T219 A220E170-K222 WeakPolarHBondContact OE1-CE 3.22Å; E170-K222 IonicContact OE1-NZ 2.71Å; E170-K222 PolarHBondContact OE1-NZ 2.81Å; T219-K222 WeakPolarHBondContact O-CE 3.49Å; A220-K222 VanDerWaalsContact C-N 3.29Å; A220-K222 PolarHBondContact O-N 3.32Å
223D94.3Very high96.6Very high109 Ų10930.3 Ų30.358%0.58317%0.166SC*.SBendtrans-111.8-6.4-170.6-55.4-56.6000113.7P246 A247D223-P246 CarbonylContact O-C 3.58Å; D223-P246 WeakPolarHBondContact O-CA 3.4Å; D223-A247 CarbonylContact C-O 3.57Å; D223-A247 VanDerWaalsContact C-O 3.24Å; D223-A247 WeakPolarHBondContact CA-O 3.28Å; D223-A247 PolarHBondContact O-N 3.14Å
224F94Very high96.5Very high79 Ų7932.7 Ų32.735%0.34618%0.181SC..EExtended strand (participates in β ladder)trans-143.1147.5-172.8-59-87.2000112.5R244 N245 P246F224-R244 HydrophobicContact CD1-CB 4.02Å; F224-R244 HydrophobicContact CG-CB 4.46Å; F224-N245 CarbonylContact C-O 3.58Å; F224-N245 VanDerWaalsContact CA-O 3.31Å; F224-N245 WeakPolarHBondContact CA-O 3.43Å; F224-P246 HydrophobicContact CD1-CB 4.41Å; F224-P246 HydrophobicContact CD1-CG 4.23Å; F224-P246 HydrophobicContact CE1-CB 4.34Å; F224-P246 HydrophobicContact CE1-CG 3.96Å
225H94.6Very high96.4Very high6 Ų640.6 Ų40.63%0.02822%0.224CC..EExtended strand (participates in β ladder)trans-94.1139.2153-58.7156.8000108.8M151 K153 N245 A247 A251 V252M151-H225 HydrophobicContact SD-CB 4.43Å; K153-H225 HydrophobicContact CG-CB 4.1Å; K153-H225 VanDerWaalsContact CG-CD2 3.5Å; K153-H225 WeakPolarHBondContact CG-CD2 3.5Å; H225-N245 PolarHBondContact N-O 2.92Å; H225-N245 PolarHBondContact O-N 3.06Å; H225-A247 VanDerWaalsContact CE1-CB 3.47Å; H225-A247 WeakPolarHBondContact CE1-CB 3.31Å; H225-A247 WeakPolarHBondContact NE2-CB 3.47Å; H225-A251 PolarHBondContact CE1-O 3.44Å; H225-A251 PolarHBondContact NE2-O 2.95Å; H225-A251 VanDerWaalsContact NE2-O 3.08Å; H225-V252 PolarHBondContact CE1-O 2.85Å
226V96.8Very high96.3Very high9 Ų943.9 Ų43.96%0.05526%0.258CS..EExtended strand (participates in β ladder)trans-112126.2177.8-174.60000109.1S152 L221 E228 V242 R243 R244S152-V226 PolarHBondContact N-O 2.76Å; S152-V226 PolarHBondContact O-N 3.25Å; L221-V226 HydrophobicContact CD1-CB 4.46Å; L221-V226 HydrophobicContact CD1-CG2 4.01Å; L221-V226 HydrophobicContact CD2-CG2 3.72Å; V226-E228 HydrophobicContact CG1-CG 4.11Å; V226-V242 HydrophobicContact CG1-CG1 3.7Å; V226-R243 WeakPolarHBondContact CA-O 3.14Å; V226-R244 HydrophobicContact CG2-CG 4.3Å
227V97.3Very high96.3Very high2 Ų248.5 Ų48.51%0.01228%0.278CS..EExtended strand (participates in β ladder)trans-112.4122.9170.8-173.20000108A128 I149 R150 M151 T195 V229 R243A128-V227 HydrophobicContact CB-CG2 4.06Å; I149-V227 HydrophobicContact CD1-CG1 3.9Å; I149-V227 HydrophobicContact CG1-CG1 4.12Å; R150-V227 WeakPolarHBondContact O-CA 3.37Å; M151-V227 HydrophobicContact CE-CG2 3.39Å; M151-V227 HydrophobicContact SD-CG2 3.76Å; T195-V227 HydrophobicContact CG2-CG1 4.07Å; V227-V229 HydrophobicContact CG1-CG2 4.14Å; V227-R243 HydrophobicContact CB-CB 4.38Å; V227-R243 PolarHBondContact N-O 3.02Å; V227-R243 PolarHBondContact O-N 2.88Å
228E98.2Very high96.4Very high35 Ų3552.8 Ų52.816%0.16431%0.308CS..EExtended strand (participates in β ladder)trans-111.1135.2172.4-53.6-179.3-10800109.2I149 R150 V226 H240 T241 V242I149-E228 CarbonylContact C-O 3.56Å; I149-E228 VanDerWaalsContact CA-O 3.3Å; I149-E228 WeakPolarHBondContact CA-O 3.24Å; R150-E228 HydrophobicContact CB-CB 4.23Å; R150-E228 VanDerWaalsContact CD-OE1 3.3Å; R150-E228 WeakPolarHBondContact CD-OE1 3.31Å; R150-E228 IonicContact CZ-OE1 3.91Å; R150-E228 PolarHBondContact N-O 2.96Å; R150-E228 IonicContact NE-OE1 3.15Å; R150-E228 IonicContact NH1-OE1 2.65Å; R150-E228 PolarHBondContact NH1-OE1 3.12Å; R150-E228 IonicContact NH1-OE2 2.82Å; R150-E228 PolarHBondContact NH1-OE2 3.19Å; R150-E228 PolarHBondContact O-N 3.07Å; V226-E228 HydrophobicContact CG1-CG 4.11Å; E228-H240 IonicContact OE2-CE1 2.71Å; E228-H240 IonicContact OE2-NE2 2.76Å; E228-H240 PolarHBondContact OE2-NE2 3.21Å; E228-H240 VanDerWaalsContact OE2-NE2 3.08Å; E228-T241 CarbonylContact C-O 3.55Å; E228-T241 VanDerWaalsContact CA-O 3.22Å; E228-T241 WeakPolarHBondContact CA-O 3.37Å; E228-V242 HydrophobicContact CG-CG1 4.36Å; E228-V242 HydrophobicContact CG-CG2 4.2Å
229V98.4Very high96.4Very high7 Ų754 Ų544%0.04232%0.317CS..EExtended strand (participates in β ladder)trans-129.7127176.5-173.40000109L129 I135 L147 F148 I149 V227 H240 T241L129-V229 HydrophobicContact CD1-CG2 4.04Å; I135-V229 HydrophobicContact CD1-CG1 3.95Å; L147-V229 HydrophobicContact CD1-CG1 3.65Å; F148-V229 WeakPolarHBondContact O-CA 3.45Å; I149-V229 HydrophobicContact CD1-CG2 3.98Å; I149-V229 HydrophobicContact CG1-CG2 4.1Å; V227-V229 HydrophobicContact CG1-CG2 4.14Å; V229-H240 CarbonylContact O-C 3.56Å; V229-H240 WeakPolarHBondContact O-CA 3.38Å; V229-T241 WeakPolarHBondContact CB-OG1 3.23Å; V229-T241 PolarHBondContact N-O 3.29Å; V229-T241 PolarHBondContact O-N 3.26Å; V229-T241 PolarHBondContact O-OG1 2.89Å
230E98.5Very high96.5Very high77 Ų7758.5 Ų58.536%0.3634%0.337SS..EExtended strand (participates in β ladder)trans-115.7118.3175.4-67.5174.2-148.400109.1L147 F148 V239 H240L147-E230 WeakPolarHBondContact CA-O 3.24Å; F148-E230 HydrophobicContact CB-CB 4.24Å; F148-E230 HydrophobicContact CD1-CB 4.39Å; F148-E230 HydrophobicContact CD1-CG 4.36Å; F148-E230 PolarHBondContact N-O 3Å; F148-E230 PolarHBondContact O-N 3.17Å; E230-V239 CarbonylContact C-O 3.51Å; E230-V239 VanDerWaalsContact CA-O 3.26Å; E230-V239 WeakPolarHBondContact CA-O 3.37Å; E230-H240 HydrophobicContact CG-CB 4.41Å; E230-H240 IonicContact OE1-CD2 3.08Å
231A98.6Very high96.6Very high6 Ų656.5 Ų56.55%0.0532%0.317CS..EExtended strand (participates in β ladder)trans-113.3133.317400000109.6M138 L144 L147 S238 V239M138-A231 HydrophobicContact SD-CB 4.49Å; L144-A231 HydrophobicContact CD1-CB 4.1Å; L147-A231 HydrophobicContact CD1-CB 3.99Å; A231-S238 CarbonylContact O-C 3.43Å; A231-S238 WeakPolarHBondContact O-CA 3.24Å; A231-V239 PolarHBondContact N-O 2.89Å; A231-V239 PolarHBondContact O-N 3.32Å
232T98.5Very high96.7Very high60 Ų6058.7 Ų58.737%0.36833%0.331SS..EExtended strand (participates in β ladder)trans-115.5137.4178.4-49.10000110.1K145 A146 F237K145-T232 PolarHBondContact N-O 3.06Å; A146-T232 PolarHBondContact N-O 3.4Å; A146-T232 PolarHBondContact O-N 3.27Å; T232-F237 WeakPolarHBondContact CA-O 3.19Å
233G98.1Very high96.8Very high7 Ų756.2 Ų56.27%0.07232%0.319CS..  trans-122.8-172.117600000112.7T143 F237T143-G233 VanDerWaalsContact O-CA 3.28Å; T143-G233 WeakPolarHBondContact O-CA 3.49Å; G233-F237 PolarHBondContact N-O 3.3Å
234P96.9Very high96.8Very high50 Ų5058.6 Ų58.633%0.32532%0.32SS..SBendtrans-65.6165.8174.830.7-36.4000112.1T143 G236 F237T143-P234 VanDerWaalsContact O-CD 3.25Å; T143-P234 WeakPolarHBondContact O-CD 3.38Å; P234-G236 PolarHBondContact O-N 2.85Å; P234-G236 VanDerWaalsContact O-N 3.1Å; P234-F237 VanDerWaalsContact O-CB 3.25Å; P234-F237 WeakPolarHBondContact O-CB 3.36Å; P234-F237 PolarHBondContact O-N 3.06Å
235D95.6Very high96.7Very high171 Ų17155 Ų5591%0.91431%0.305SS*.THydrogen-bonded Turntrans55.432.6168.2-49.1-42.2000115.1F237D235-F237 VanDerWaalsContact C-N 3.31Å; D235-F237 PolarHBondContact O-N 2.94Å
236G92.7Very high96.6Very high71 Ų7157.5 Ų57.573%0.73232%0.321SS*.THydrogen-bonded Turntrans79.48.5179.800000114.4P234 S238P234-G236 PolarHBondContact O-N 2.85Å; P234-G236 VanDerWaalsContact O-N 3.1Å; G236-S238 PolarHBondContact O-N 3.23Å
237F97.4Very high96.4Very high96 Ų9657.7 Ų57.742%0.42132%0.324SS..  trans-61.6127.3174.5179.8-91.5000111M138 T232 G233 P234 D235 V239M138-F237 HydrophobicContact CE-CD1 3.66Å; M138-F237 HydrophobicContact CE-CE1 3.41Å; M138-F237 VanDerWaalsContact CE-CE1 3.41Å; M138-F237 HydrophobicContact CE-CZ 4.48Å; M138-F237 HydrophobicContact SD-CE1 3.7Å; M138-F237 HydrophobicContact SD-CZ 4.4Å; T232-F237 WeakPolarHBondContact CA-O 3.19Å; G233-F237 PolarHBondContact N-O 3.3Å; P234-F237 VanDerWaalsContact O-CB 3.25Å; P234-F237 WeakPolarHBondContact O-CB 3.36Å; P234-F237 PolarHBondContact O-N 3.06Å; D235-F237 VanDerWaalsContact C-N 3.31Å; D235-F237 PolarHBondContact O-N 2.94Å; F237-V239 HydrophobicContact CE1-CG2 3.62Å; F237-V239 HydrophobicContact CE2-CG2 4.23Å; F237-V239 HydrophobicContact CZ-CG2 3.36Å
238S97.3Very high96Very high91 Ų9166.1 Ų66.164%0.63636%0.36SS*.EExtended strand (participates in β ladder)trans-144.3141.9172.9650000111A231 G236A231-S238 CarbonylContact O-C 3.43Å; A231-S238 WeakPolarHBondContact O-CA 3.24Å; G236-S238 PolarHBondContact O-N 3.23Å
239V97.9Very high95.6Very high59 Ų5969.4 Ų69.436%0.35838%0.378SS..EExtended strand (participates in β ladder)trans-123.7130.7170.6176.50000108.1E230 A231 F237 T241E230-V239 CarbonylContact C-O 3.51Å; E230-V239 VanDerWaalsContact CA-O 3.26Å; E230-V239 WeakPolarHBondContact CA-O 3.37Å; A231-V239 PolarHBondContact N-O 2.89Å; A231-V239 PolarHBondContact O-N 3.32Å; F237-V239 HydrophobicContact CE1-CG2 3.62Å; F237-V239 HydrophobicContact CE2-CG2 4.23Å; F237-V239 HydrophobicContact CZ-CG2 3.36Å; V239-T241 HydrophobicContact CG1-CG2 3.89Å
240H97.9Very high94.9Very high102 Ų10270.1 Ų70.147%0.47239%0.388SS..EExtended strand (participates in β ladder)trans-117.1130.5167.6175.7-117.7000108.7E228 V229 E230 V242E228-H240 IonicContact OE2-CE1 2.71Å; E228-H240 IonicContact OE2-NE2 2.76Å; E228-H240 PolarHBondContact OE2-NE2 3.21Å; E228-H240 VanDerWaalsContact OE2-NE2 3.08Å; V229-H240 CarbonylContact O-C 3.56Å; V229-H240 WeakPolarHBondContact O-CA 3.38Å; E230-H240 HydrophobicContact CG-CB 4.41Å; E230-H240 IonicContact OE1-CD2 3.08Å; H240-V242 WeakPolarHBondContact CE1-CG2 3.41Å
241T97.4Very high94.4Very high33 Ų3367.9 Ų67.920%0.20238%0.382CS..EExtended strand (participates in β ladder)trans-124.2143.3174.865.90000109.8E228 V229 V239E228-T241 CarbonylContact C-O 3.55Å; E228-T241 VanDerWaalsContact CA-O 3.22Å; E228-T241 WeakPolarHBondContact CA-O 3.37Å; V229-T241 WeakPolarHBondContact CB-OG1 3.23Å; V229-T241 PolarHBondContact N-O 3.29Å; V229-T241 PolarHBondContact O-N 3.26Å; V229-T241 PolarHBondContact O-OG1 2.89Å; V239-T241 HydrophobicContact CG1-CG2 3.89Å
242V97.4Very high93.6Very high65 Ų6569.2 Ų69.239%0.39439%0.389SS..EExtended strand (participates in β ladder)trans-126.9112.6174-175.90000108.5V226 E228 H240V226-V242 HydrophobicContact CG1-CG1 3.7Å; E228-V242 HydrophobicContact CG-CG1 4.36Å; E228-V242 HydrophobicContact CG-CG2 4.2Å; H240-V242 WeakPolarHBondContact CE1-CG2 3.41Å
243R95.1Very high92.9Very high45 Ų4568.8 Ų68.817%0.1739%0.387CS..EExtended strand (participates in β ladder)trans-101.7117173.2-176.4-177178.4168.1-4.6109.7G127 A128 V226 V227G127-R243 PolarHBondContact O-NH1 3Å; A128-R243 WeakPolarHBondContact O-CD 3.46Å; A128-R243 PolarHBondContact O-NH1 3.43Å; V226-R243 WeakPolarHBondContact CA-O 3.14Å; V227-R243 HydrophobicContact CB-CB 4.38Å; V227-R243 PolarHBondContact N-O 3.02Å; V227-R243 PolarHBondContact O-N 2.88Å
244R95.2Very high92.2Very high159 Ų15968.5 Ų68.560%0.638%0.384SS*.EExtended strand (participates in β ladder)trans-93.8110.3168.3-66.8-177.6132.383.30.8109.3F224 V226F224-R244 HydrophobicContact CD1-CB 4.02Å; F224-R244 HydrophobicContact CG-CB 4.46Å; V226-R244 HydrophobicContact CG2-CG 4.3Å
245N91.1Very high91.6Very high4 Ų469.3 Ų69.32%0.02139%0.391CS..EExtended strand (participates in β ladder)trans-105.5114.1-177.5-1726.4000109.6F224 H225 A247 A256 T257F224-N245 CarbonylContact C-O 3.58Å; F224-N245 VanDerWaalsContact CA-O 3.31Å; F224-N245 WeakPolarHBondContact CA-O 3.43Å; H225-N245 PolarHBondContact N-O 2.92Å; H225-N245 PolarHBondContact O-N 3.06Å; N245-A247 PolarHBondContact O-N 2.9Å; N245-A256 WeakPolarHBondContact OD1-CB 3.34Å; N245-A256 PolarHBondContact OD1-N 2.65Å; N245-T257 PolarHBondContact ND2-OG1 3.15Å
246P92.9Very high91Very high58 Ų5862.9 Ų62.938%0.37736%0.362SS..EExtended strand (participates in β ladder)trans-54133.2179.7-24.131.8000111.8D223 F224 G254 S255D223-P246 CarbonylContact O-C 3.58Å; D223-P246 WeakPolarHBondContact O-CA 3.4Å; F224-P246 HydrophobicContact CD1-CB 4.41Å; F224-P246 HydrophobicContact CD1-CG 4.23Å; F224-P246 HydrophobicContact CE1-CB 4.34Å; F224-P246 HydrophobicContact CE1-CG 3.96Å; P246-G254 CarbonylContact O-C 3.57Å; P246-G254 VanDerWaalsContact O-CA 3.23Å; P246-G254 WeakPolarHBondContact O-CA 3.47Å; P246-S255 PolarHBondContact O-N 2.74Å; P246-S255 PolarHBondContact O-OG 3.32Å
247A91.1Very high90.7Very high13 Ų1360.1 Ų60.111%0.10733%0.331CS..  trans-148.2138-177.800000110.2D223 H225 N245D223-A247 CarbonylContact C-O 3.57Å; D223-A247 VanDerWaalsContact C-O 3.24Å; D223-A247 WeakPolarHBondContact CA-O 3.28Å; D223-A247 PolarHBondContact O-N 3.14Å; H225-A247 VanDerWaalsContact CE1-CB 3.47Å; H225-A247 WeakPolarHBondContact CE1-CB 3.31Å; H225-A247 WeakPolarHBondContact NE2-CB 3.47Å; N245-A247 PolarHBondContact O-N 2.9Å
248K89.9Confident90.5Very high180 Ų18057.8 Ų57.878%0.78332%0.319SS*.  trans-74147.8169.7-65.1-174.6179.1-176.80109.4G250 A251K248-G250 PolarHBondContact O-N 2.91Å; K248-A251 HydrophobicContact CB-CB 4.45Å; K248-A251 WeakPolarHBondContact O-CB 3.33Å; K248-A251 PolarHBondContact O-N 3.33Å
249L88.8Confident90.3Very high103 Ų10357.5 Ų57.554%0.53931%0.31SS..THydrogen-bonded Turntrans-52.2133.8173.4-160.967.9000111.1H154 A251H154-L249 HydrophobicContact CB-CD1 3.91Å; H154-L249 WeakPolarHBondContact ND1-CD1 3.09Å; L249-A251 VanDerWaalsContact C-N 3.25Å; L249-A251 PolarHBondContact O-N 3.12Å
250G85.6Confident90Very high23 Ų2355.7 Ų55.724%0.23730%0.3CS..THydrogen-bonded Turntrans79.9-7.9-177.800000115.7S156 C157 R159 K248S156-G250 PolarHBondContact OG-N 2.66Å; C157-G250 PolarHBondContact SG-N 3.25Å; R159-G250 PolarHBondContact NH2-O 3.12Å; K248-G250 PolarHBondContact O-N 2.91Å
251A86Confident89.9Confident30 Ų3051.4 Ų51.425%0.24828%0.281CS..  trans-77.7132.3176.900000111.1C157 H225 K248 L249C157-A251 WeakPolarHBondContact CB-O 3.3Å; C157-A251 PolarHBondContact SG-O 3.1Å; C157-A251 VanDerWaalsContact SG-O 3.37Å; H225-A251 PolarHBondContact CE1-O 3.44Å; H225-A251 PolarHBondContact NE2-O 2.95Å; H225-A251 VanDerWaalsContact NE2-O 3.08Å; K248-A251 HydrophobicContact CB-CB 4.45Å; K248-A251 WeakPolarHBondContact O-CB 3.33Å; K248-A251 PolarHBondContact O-N 3.33Å; L249-A251 VanDerWaalsContact C-N 3.25Å; L249-A251 PolarHBondContact O-N 3.12Å
252V83.6Confident89.9Confident33 Ų3350.9 Ų50.920%0.228%0.275CS..SBendtrans-75.4-32.3177.6-177.60000111.7K153 R159 N191 H225K153-V252 PolarHBondContact NZ-O 3.42Å; R159-V252 HydrophobicContact CG-CG2 3.59Å; N191-V252 HydrophobicContact CB-CG1 4.28Å; N191-V252 WeakPolarHBondContact O-CG1 3.42Å; H225-V252 PolarHBondContact CE1-O 2.85Å
253T83.8Confident89.8Confident52 Ų5252.1 Ų52.132%0.31928%0.279SS..SBendtrans-117.8129.7-174.1-59.90000110.8T257 Y258T253-T257 HydrophobicContact CG2-CG2 3.85Å; T253-Y258 HydrophobicContact CG2-CE2 4.06Å
254G82.7Confident89.8Confident1 Ų150 Ų501%0.0127%0.272CS..  trans-76.9153176.400000112.3P246 A256 T257P246-G254 CarbonylContact O-C 3.57Å; P246-G254 VanDerWaalsContact O-CA 3.23Å; P246-G254 WeakPolarHBondContact O-CA 3.47Å; G254-A256 VanDerWaalsContact C-N 3.32Å; G254-A256 PolarHBondContact O-N 2.9Å; G254-T257 VanDerWaalsContact O-CB 3.24Å; G254-T257 WeakPolarHBondContact O-CB 3.5Å; G254-T257 PolarHBondContact O-N 2.8Å; G254-T257 PolarHBondContact O-OG1 2.84Å
255S83.4Confident89.9Confident66 Ų6642.6 Ų42.646%0.46224%0.244SC..THydrogen-bonded Turntrans-62.8-32-169.659.70000113.9P246 T257 Y258P246-S255 PolarHBondContact O-N 2.74Å; P246-S255 PolarHBondContact O-OG 3.32Å; S255-T257 PolarHBondContact O-N 2.84Å; S255-Y258 VanDerWaalsContact O-CD2 3.24Å; S255-Y258 WeakPolarHBondContact O-CD2 3.47Å; S255-Y258 PolarHBondContact O-N 3.37Å
256A83.4Confident90.1Very high37 Ų3744.6 Ų44.631%0.30625%0.254SS..Hα-helixtrans-70.9-13178.500000113.2N245 G254 Y258N245-A256 WeakPolarHBondContact OD1-CB 3.34Å; N245-A256 PolarHBondContact OD1-N 2.65Å; G254-A256 VanDerWaalsContact C-N 3.32Å; G254-A256 PolarHBondContact O-N 2.9Å; A256-Y258 VanDerWaalsContact C-N 3.31Å
257T86.9Confident90.2Very high13 Ų1345.2 Ų45.28%0.0825%0.253CS..Hα-helixtrans-71-29.5177.8-38.30000111.7N245 T253 G254 S255 S260 F261N245-T257 PolarHBondContact ND2-OG1 3.15Å; T253-T257 HydrophobicContact CG2-CG2 3.85Å; G254-T257 VanDerWaalsContact O-CB 3.24Å; G254-T257 WeakPolarHBondContact O-CB 3.5Å; G254-T257 PolarHBondContact O-N 2.8Å; G254-T257 PolarHBondContact O-OG1 2.84Å; S255-T257 PolarHBondContact O-N 2.84Å; T257-S260 WeakPolarHBondContact O-CB 3.31Å; T257-S260 PolarHBondContact O-N 3.35Å; T257-F261 HydrophobicContact CG2-CD2 4.08Å; T257-F261 HydrophobicContact CG2-CE2 4.01Å; T257-F261 WeakPolarHBondContact O-CD2 3.25Å; T257-F261 PolarHBondContact O-N 2.9Å; T257-F261 VanDerWaalsContact O-N 3.13Å
258Y92.3Very high90.5Very high46 Ų4644.6 Ų44.618%0.1825%0.248CC..Hα-helixtrans-63.7-50.6-176.3-68-109.2000110.8H17 L18 F21 T253 S255 A256 S260 F261 W262H17-Y258 HydrophobicContact CB-CE1 3.98Å; H17-Y258 WeakPolarHBondContact CB-OH 3.23Å; L18-Y258 HydrophobicContact CB-CE1 4.46Å; L18-Y258 HydrophobicContact CD1-CD1 3.94Å; L18-Y258 HydrophobicContact CD1-CG 4.2Å; F21-Y258 HydrophobicContact CB-CD1 3.62Å; F21-Y258 HydrophobicContact CB-CE1 4.25Å; F21-Y258 HydrophobicContact CD1-CD1 4.09Å; F21-Y258 HydrophobicContact CD1-CG 4.46Å; F21-Y258 HydrophobicContact CD2-CD1 4.23Å; F21-Y258 VanDerWaalsContact CE1-C 3.44Å; F21-Y258 WeakPolarHBondContact CE1-O 3.42Å; F21-Y258 AromaticContact CG-CD1 3.72Å; F21-Y258 HydrophobicContact CG-CD1 3.72Å; F21-Y258 HydrophobicContact CG-CG 4.36Å; T253-Y258 HydrophobicContact CG2-CE2 4.06Å; S255-Y258 VanDerWaalsContact O-CD2 3.24Å; S255-Y258 WeakPolarHBondContact O-CD2 3.47Å; S255-Y258 PolarHBondContact O-N 3.37Å; A256-Y258 VanDerWaalsContact C-N 3.31Å; Y258-S260 VanDerWaalsContact C-N 3.28Å; Y258-S260 PolarHBondContact O-N 2.83Å; Y258-F261 PolarHBondContact O-N 3.21Å; Y258-W262 PolarHBondContact O-N 2.89Å; Y258-W262 VanDerWaalsContact O-N 3.11Å
259N93.1Very high90.6Very high85 Ų8541 Ų4146%0.45523%0.23SC..Hα-helixtrans-63.8-32.1175.6-72.8-34.7000112.8F21 W262 N263F21-N259 WeakPolarHBondContact CZ-OD1 3.37Å; N259-W262 PolarHBondContact O-N 3.15Å; N259-N263 WeakPolarHBondContact O-CB 3.3Å; N259-N263 PolarHBondContact O-N 2.95Å; N259-N263 PolarHBondContact O-ND2 3.37Å
260S92.9Very high90.8Very high21 Ų2137.3 Ų37.315%0.14722%0.217CC..Hα-helixtrans-60.8-46.3173.9174.70000111.3G127 T257 Y258 W262 N263 S264G127-S260 VanDerWaalsContact CA-OG 3.32Å; G127-S260 WeakPolarHBondContact CA-OG 3.34Å; G127-S260 PolarHBondContact N-OG 3.04Å; G127-S260 VanDerWaalsContact N-OG 3.15Å; G127-S260 WeakPolarHBondContact O-CB 3.4Å; G127-S260 PolarHBondContact O-OG 3.32Å; T257-S260 WeakPolarHBondContact O-CB 3.31Å; T257-S260 PolarHBondContact O-N 3.35Å; Y258-S260 VanDerWaalsContact C-N 3.28Å; Y258-S260 PolarHBondContact O-N 2.83Å; S260-W262 PolarHBondContact O-N 2.84Å; S260-N263 PolarHBondContact O-N 3.06Å; S260-S264 WeakPolarHBondContact O-CB 3.42Å; S260-S264 PolarHBondContact O-N 3.08Å; S260-S264 PolarHBondContact O-OG 3.34Å
261F95.9Very high91.3Very high13 Ų1338.6 Ų38.66%0.05722%0.217CC..Hα-helixtrans-63.5-39.8176.9-92-104.2000112.8L18 L22 V75 M95 P125 T257 Y258 S264 L265L18-F261 HydrophobicContact CD1-CB 3.95Å; L18-F261 HydrophobicContact CD1-CD2 4.34Å; L18-F261 HydrophobicContact CD1-CG 4.05Å; L18-F261 HydrophobicContact CD2-CD1 3.73Å; L18-F261 HydrophobicContact CD2-CD2 3.86Å; L18-F261 HydrophobicContact CD2-CE1 3.72Å; L18-F261 HydrophobicContact CD2-CE2 3.87Å; L18-F261 HydrophobicContact CD2-CG 3.78Å; L18-F261 HydrophobicContact CD2-CZ 3.79Å; L18-F261 HydrophobicContact CG-CD1 4.45Å; L18-F261 HydrophobicContact CG-CG 4.38Å; L22-F261 HydrophobicContact CD2-CB 4.32Å; V75-F261 HydrophobicContact CG1-CD1 3.86Å; V75-F261 HydrophobicContact CG1-CE1 3.63Å; M95-F261 HydrophobicContact CE-CD1 3.77Å; M95-F261 HydrophobicContact CE-CE1 4.33Å; M95-F261 HydrophobicContact CE-CG 4.4Å; P125-F261 HydrophobicContact CB-CD1 4.21Å; P125-F261 HydrophobicContact CB-CD2 4.37Å; P125-F261 HydrophobicContact CB-CE1 4.04Å; P125-F261 HydrophobicContact CB-CE2 4.2Å; P125-F261 HydrophobicContact CB-CG 4.39Å; P125-F261 HydrophobicContact CB-CZ 4.04Å; P125-F261 HydrophobicContact CG-CD1 4.03Å; P125-F261 HydrophobicContact CG-CE1 3.42Å; P125-F261 VanDerWaalsContact CG-CE1 3.42Å; P125-F261 HydrophobicContact CG-CE2 4.14Å; P125-F261 HydrophobicContact CG-CZ 3.49Å; P125-F261 VanDerWaalsContact CG-CZ 3.49Å; T257-F261 HydrophobicContact CG2-CD2 4.08Å; T257-F261 HydrophobicContact CG2-CE2 4.01Å; T257-F261 WeakPolarHBondContact O-CD2 3.25Å; T257-F261 PolarHBondContact O-N 2.9Å; T257-F261 VanDerWaalsContact O-N 3.13Å; Y258-F261 PolarHBondContact O-N 3.21Å; F261-S264 PolarHBondContact O-N 3.02Å; F261-L265 PolarHBondContact O-N 3Å
262W96.8Very high91.7Very high22 Ų2240.3 Ų40.38%0.08324%0.238CC..Hα-helixtrans-60.1-49.2174177.7-115.4000111.5F21 L22 K25 L26 L33 L35 Y258 N259 S260 S264 L265 L266F21-W262 HydrophobicContact CE1-CB 3.95Å; F21-W262 HydrophobicContact CZ-CB 4.5Å; L22-W262 HydrophobicContact CD2-CB 4.33Å; L22-W262 HydrophobicContact CD2-CE3 4.17Å; K25-W262 HydrophobicContact CB-CD2 3.96Å; K25-W262 HydrophobicContact CB-CE3 3.69Å; K25-W262 HydrophobicContact CB-CH2 3.82Å; K25-W262 HydrophobicContact CB-CZ2 4.05Å; K25-W262 HydrophobicContact CB-CZ3 3.64Å; K25-W262 HydrophobicContact CG-CD2 4.24Å; K25-W262 HydrophobicContact CG-CE3 4.37Å; L26-W262 HydrophobicContact CD2-CH2 4.28Å; L26-W262 HydrophobicContact CD2-CZ3 3.95Å; L26-W262 HydrophobicContact CG-CZ3 3.99Å; L33-W262 HydrophobicContact CD1-CH2 4.35Å; L33-W262 HydrophobicContact CD1-CZ2 3.54Å; L35-W262 HydrophobicContact CD1-CH2 4.07Å; L35-W262 HydrophobicContact CD1-CZ3 4.29Å; Y258-W262 PolarHBondContact O-N 2.89Å; Y258-W262 VanDerWaalsContact O-N 3.11Å; N259-W262 PolarHBondContact O-N 3.15Å; S260-W262 PolarHBondContact O-N 2.84Å; W262-S264 VanDerWaalsContact C-N 3.32Å; W262-S264 PolarHBondContact O-N 3.18Å; W262-L265 HydrophobicContact CE3-CD2 4.19Å; W262-L265 HydrophobicContact CZ3-CD2 4.09Å; W262-L265 WeakPolarHBondContact O-CB 3.37Å; W262-L265 PolarHBondContact O-N 3.37Å; W262-L265 VanDerWaalsContact O-N 3.1Å; W262-L266 HydrophobicContact CH2-CD2 4.33Å; W262-L266 HydrophobicContact CZ2-CD2 3.91Å; W262-L266 WeakPolarHBondContact O-CG 3.32Å; W262-L266 PolarHBondContact O-N 2.74Å; W262-L266 VanDerWaalsContact O-N 3.1Å
263N95.4Very high92.3Very high91 Ų9139 Ų3949%0.48723%0.231SC..Hα-helixtrans-61.8-39.9178.8-68.2-19.6000112.3N259 S260 L265 L266N259-N263 WeakPolarHBondContact O-CB 3.3Å; N259-N263 PolarHBondContact O-N 2.95Å; N259-N263 PolarHBondContact O-ND2 3.37Å; S260-N263 PolarHBondContact O-N 3.06Å; N263-L265 VanDerWaalsContact C-N 3.33Å; N263-L265 PolarHBondContact O-N 3.24Å; N263-L266 PolarHBondContact O-N 2.96Å
264S95.8Very high92.9Very high1 Ų142.6 Ų42.61%0.00724%0.239CC..Hα-helixtrans-60.9-41.1173.7-62.80000111.9M95 S260 F261 W262 L266 I267 C268 C278M95-S264 VanDerWaalsContact CE-CB 3.43Å; S260-S264 WeakPolarHBondContact O-CB 3.42Å; S260-S264 PolarHBondContact O-N 3.08Å; S260-S264 PolarHBondContact O-OG 3.34Å; F261-S264 PolarHBondContact O-N 3.02Å; W262-S264 VanDerWaalsContact C-N 3.32Å; W262-S264 PolarHBondContact O-N 3.18Å; S264-L266 PolarHBondContact O-N 3.31Å; S264-I267 WeakPolarHBondContact O-CG1 3.15Å; S264-I267 PolarHBondContact O-N 3.06Å; S264-C268 PolarHBondContact O-SG 2.9Å; S264-C278 WeakPolarHBondContact CA-OXT 3.44Å; S264-C278 WeakPolarHBondContact CB-OXT 2.98Å; S264-C278 PolarHBondContact OG-O 3.25Å; S264-C278 PolarHBondContact OG-OXT 2.71Å
265L96.6Very high93.6Very high2 Ų243.7 Ų43.71%0.0125%0.245CC..Hα-helixtrans-64-37.417717957.6000112.6V10 L26 L35 V71 V73 M95 F261 W262 N263 I267 C268V10-L265 HydrophobicContact CG1-CD1 4.06Å; V10-L265 HydrophobicContact CG1-CD2 4.16Å; V10-L265 HydrophobicContact CG2-CD1 4.22Å; L26-L265 HydrophobicContact CD1-CD2 4.42Å; L26-L265 HydrophobicContact CD2-CD2 4.24Å; L35-L265 HydrophobicContact CD1-CG 4.46Å; V71-L265 HydrophobicContact CG1-CD1 4.16Å; V73-L265 HydrophobicContact CG2-CD1 3.58Å; V73-L265 HydrophobicContact CG2-CD2 4.41Å; M95-L265 HydrophobicContact SD-CB 4.33Å; F261-L265 PolarHBondContact O-N 3Å; W262-L265 HydrophobicContact CE3-CD2 4.19Å; W262-L265 HydrophobicContact CZ3-CD2 4.09Å; W262-L265 WeakPolarHBondContact O-CB 3.37Å; W262-L265 PolarHBondContact O-N 3.37Å; W262-L265 VanDerWaalsContact O-N 3.1Å; N263-L265 VanDerWaalsContact C-N 3.33Å; N263-L265 PolarHBondContact O-N 3.24Å; L265-I267 PolarHBondContact O-N 2.64Å; L265-I267 VanDerWaalsContact O-N 3.13Å; L265-C268 HydrophobicContact CD1-CB 4.33Å; L265-C268 WeakPolarHBondContact O-CB 3.45Å; L265-C268 PolarHBondContact O-N 3.1Å
266L95.9Very high94.3Very high47 Ų4743.2 Ų43.225%0.24623%0.234CC..Hα-helixtrans-59.6-26.3-180-64.5179000113.2L33 L35 W262 N263 S264L33-L266 HydrophobicContact CB-CD2 4.41Å; L33-L266 HydrophobicContact CD1-CD2 3.8Å; L35-L266 HydrophobicContact CD1-CD2 3.81Å; W262-L266 HydrophobicContact CH2-CD2 4.33Å; W262-L266 HydrophobicContact CZ2-CD2 3.91Å; W262-L266 WeakPolarHBondContact O-CG 3.32Å; W262-L266 PolarHBondContact O-N 2.74Å; W262-L266 VanDerWaalsContact O-N 3.1Å; N263-L266 PolarHBondContact O-N 2.96Å; S264-L266 PolarHBondContact O-N 3.31Å
267I94.9Very high94.9Very high70 Ų7041.6 Ų41.636%0.35922%0.22SC..THydrogen-bonded Turntrans-993.8179.767.8161.5000113.6S264 L265 R269 H271 Y276 C278S264-I267 WeakPolarHBondContact O-CG1 3.15Å; S264-I267 PolarHBondContact O-N 3.06Å; L265-I267 PolarHBondContact O-N 2.64Å; L265-I267 VanDerWaalsContact O-N 3.13Å; I267-R269 PolarHBondContact O-N 2.81Å; I267-H271 PolarHBondContact O-CE1 2.98Å; I267-H271 VanDerWaalsContact O-CE1 3.24Å; I267-Y276 HydrophobicContact CD1-CE1 3.76Å; I267-C278 HydrophobicContact CD1-CB 3.59Å; I267-C278 HydrophobicContact CG1-CB 3.95Å
268C95.8Very high95.2Very high0 Ų041.9 Ų41.90%022%0.222CC..  trans-75.163179.1-72.10000112.7L8 V71 Y123 S264 L265L8-C268 WeakPolarHBondContact CD1-O 3.36Å; V71-C268 HydrophobicContact CG1-CB 3.93Å; V71-C268 HydrophobicContact CG2-CB 3.97Å; V71-C268 WeakPolarHBondContact CG2-O 3.34Å; Y123-C268 HydrophobicContact CD2-CB 4.23Å; Y123-C268 HydrophobicContact CE1-CB 4.41Å; Y123-C268 HydrophobicContact CE2-CB 3.92Å; Y123-C268 VanDerWaalsContact CG-SG 3.57Å; Y123-C268 VanDerWaalsContact CZ-CA 3.48Å; Y123-C268 WeakPolarHBondContact OH-CA 3.47Å; S264-C268 PolarHBondContact O-SG 2.9Å; L265-C268 HydrophobicContact CD1-CB 4.33Å; L265-C268 WeakPolarHBondContact O-CB 3.45Å; L265-C268 PolarHBondContact O-N 3.1Å
269R92.8Very high95.4Very high104 Ų10441.7 Ų41.739%0.39222%0.224SC..SBendtrans-109.112.5-174.2-56.4-109.9177.6-144.62.7114.3L8 L33 G34 Y123 I267L8-R269 HydrophobicContact CD1-CB 4.47Å; L8-R269 HydrophobicContact CD1-CG 3.9Å; L8-R269 VanDerWaalsContact CD1-NH1 3.25Å; L8-R269 VanDerWaalsContact CG-NH1 3.29Å; L33-R269 PolarHBondContact O-NH2 3.1Å; G34-R269 PolarHBondContact O-NH1 3.34Å; Y123-R269 PolarHBondContact OH-N 2.95Å; I267-R269 PolarHBondContact O-N 2.81Å
270G93.9Very high95.5Very high26 Ų2639.4 Ų39.427%0.26821%0.212SC..  trans86134.5-172.400000113.2H93 Y123H93-G270 WeakPolarHBondContact NE2-CA 3.49Å; H93-G270 PolarHBondContact NE2-N 3.21Å; Y123-G270 VanDerWaalsContact OH-CA 3.32Å; Y123-G270 WeakPolarHBondContact OH-CA 3.49Å; Y123-G270 PolarHBondContact OH-N 3.26Å
271H95.6Very high95.7Very high50 Ų5040.4 Ų40.423%0.23122%0.216CC..  trans-137.236.2179.1-63.3102.2000112.3T121 Y123 I267 R274 Y276T121-H271 HydrophobicContact CG2-CB 4.07Å; T121-H271 WeakPolarHBondContact OG1-CA 3.46Å; T121-H271 PolarHBondContact OG1-N 3.39Å; Y123-H271 AromaticContact CE1-CE1 3.56Å; Y123-H271 AromaticContact CE1-ND1 3.2Å; Y123-H271 WeakPolarHBondContact CE1-ND1 3.24Å; Y123-H271 AromaticContact CZ-CE1 3.93Å; Y123-H271 AromaticContact CZ-ND1 3.37Å; Y123-H271 PolarHBondContact OH-CE1 3.37Å; Y123-H271 PolarHBondContact OH-ND1 2.87Å; I267-H271 PolarHBondContact O-CE1 2.98Å; I267-H271 VanDerWaalsContact O-CE1 3.24Å; H271-R274 HydrophobicContact CB-CG 4.38Å; H271-R274 VanDerWaalsContact O-CD 3.29Å; H271-R274 WeakPolarHBondContact O-CD 3.47Å; H271-R274 VanDerWaalsContact O-CG 3.31Å; H271-R274 WeakPolarHBondContact O-CG 3.4Å; H271-R274 PolarHBondContact O-NE 3.39Å; H271-R274 VanDerWaalsContact O-NE 3.08Å; H271-Y276 HydrophobicContact CB-CD2 4.1Å; H271-Y276 AromaticContact CD2-CE2 3.89Å; H271-Y276 AromaticContact CE1-CE1 3.95Å; H271-Y276 AromaticContact CE1-CZ 3.98Å; H271-Y276 AromaticContact CG-CD2 3.85Å; H271-Y276 AromaticContact ND1-CD2 3.96Å; H271-Y276 AromaticContact ND1-CG 3.86Å; H271-Y276 AromaticContact NE2-CE2 3.98Å; H271-Y276 AromaticContact NE2-CZ 3.87Å
272G94.1Very high95.7Very high67 Ų6742.1 Ų42.169%0.69123%0.225SC*.SBendtrans72.549.4169.600000115.1R274G272-R274 PolarHBondContact O-N 2.71Å
273G96.1Very high95.6Very high6 Ų643.3 Ų43.36%0.06223%0.234CC..SBendtrans60.946170.500000115.4S115 L116 G119S115-G273 WeakPolarHBondContact O-CA 3.28Å; S115-G273 VanDerWaalsContact OG-C 3.28Å; L116-G273 WeakPolarHBondContact CA-O 3.49Å; L116-G273 PolarHBondContact N-O 3.39Å; G119-G273 PolarHBondContact O-N 3.47Å
274R96.8Very high95.6Very high127 Ų12740.1 Ų40.148%0.47922%0.217SC..SBendtrans-129.5170.9179.470.3-173.4174.7174.9-2.4112.5S115 T121 L122 H271 G272 Y276S115-R274 PolarHBondContact OG-N 3.2Å; S115-R274 PolarHBondContact OG-O 2.68Å; T121-R274 WeakPolarHBondContact CA-O 3.41Å; T121-R274 WeakPolarHBondContact CG2-O 3.41Å; L122-R274 PolarHBondContact N-O 2.98Å; H271-R274 HydrophobicContact CB-CG 4.38Å; H271-R274 VanDerWaalsContact O-CD 3.29Å; H271-R274 WeakPolarHBondContact O-CD 3.47Å; H271-R274 VanDerWaalsContact O-CG 3.31Å; H271-R274 WeakPolarHBondContact O-CG 3.4Å; H271-R274 PolarHBondContact O-NE 3.39Å; H271-R274 VanDerWaalsContact O-NE 3.08Å; G272-R274 PolarHBondContact O-N 2.71Å; R274-Y276 VanDerWaalsContact NH2-CE2 3.3Å
275V97.4Very high95.6Very high24 Ų2442.9 Ų42.915%0.14523%0.232CC..EExtended strand (participates in β ladder)trans-79.9130.7162.3-176.10000109R112 L122 V124 V201R112-V275 HydrophobicContact CG-CG2 3.55Å; R112-V275 VanDerWaalsContact NH1-CG2 3.35Å; L122-V275 HydrophobicContact CB-CG2 4.26Å; L122-V275 HydrophobicContact CD2-CG2 3.97Å; L122-V275 CarbonylContact O-C 3.41Å; L122-V275 VanDerWaalsContact O-CA 3.28Å; L122-V275 WeakPolarHBondContact O-CA 3.43Å; V124-V275 HydrophobicContact CG2-CG1 4.18Å; V201-V275 HydrophobicContact CG1-CG1 3.83Å
276Y97.6Very high95.5Very high56 Ų5646.1 Ų46.122%0.2225%0.249CC..EExtended strand (participates in β ladder)trans-131.5120.2-176.5-168.1-86.9000110.5L122 Y123 V124 I267 H271 R274 C278L122-Y276 PolarHBondContact O-N 2.82Å; Y123-Y276 CarbonylContact C-O 3.54Å; Y123-Y276 WeakPolarHBondContact CA-O 3.47Å; Y123-Y276 AromaticContact CD1-CD1 3.87Å; Y123-Y276 HydrophobicContact CD1-CD1 3.87Å; Y123-Y276 HydrophobicContact CD1-CG 4.3Å; Y123-Y276 AromaticContact CE1-CD1 3.87Å; Y123-Y276 HydrophobicContact CE1-CD1 3.87Å; Y123-Y276 HydrophobicContact CE1-CG 4.2Å; V124-Y276 PolarHBondContact N-O 3.48Å; I267-Y276 HydrophobicContact CD1-CE1 3.76Å; H271-Y276 HydrophobicContact CB-CD2 4.1Å; H271-Y276 AromaticContact CD2-CE2 3.89Å; H271-Y276 AromaticContact CE1-CE1 3.95Å; H271-Y276 AromaticContact CE1-CZ 3.98Å; H271-Y276 AromaticContact CG-CD2 3.85Å; H271-Y276 AromaticContact ND1-CD2 3.96Å; H271-Y276 AromaticContact ND1-CG 3.86Å; H271-Y276 AromaticContact NE2-CE2 3.98Å; H271-Y276 AromaticContact NE2-CZ 3.87Å; R274-Y276 VanDerWaalsContact NH2-CE2 3.3Å; Y276-C278 HydrophobicContact CD1-CB 3.92Å; Y276-C278 HydrophobicContact CE1-CB 4.07Å
277L96.9Very high95.5Very high3 Ų346 Ų462%0.01625%0.249CC..EExtended strand (participates in β ladder)trans-78.6118.2171.5-173.777.9000108.6V124 A198 A202V124-L277 HydrophobicContact CB-CD1 4.43Å; V124-L277 HydrophobicContact CG1-CD1 4.17Å; V124-L277 WeakPolarHBondContact O-CA 3.47Å; A198-L277 HydrophobicContact CB-CD1 4.23Å; A202-L277 HydrophobicContact CB-CD2 3.76Å
278C93.5Very high95.5Very high19 Ų1943.8 Ų43.813%0.12824%0.239CC..  trans-119.80-175.450.40000113.8Y123 V124 P125 S126 S264 I267 Y276Y123-C278 HydrophobicContact CD1-CB 4.16Å; V124-C278 PolarHBondContact O-N 3.47Å; V124-C278 PolarHBondContact O-SG 3.34Å; P125-C278 CarbonylContact C-O 3.41Å; S126-C278 VanDerWaalsContact CB-O 3.27Å; S126-C278 WeakPolarHBondContact CB-O 3.27Å; S126-C278 PolarHBondContact N-O 3.23Å; S126-C278 PolarHBondContact OG-O 2.96Å; S264-C278 WeakPolarHBondContact CA-OXT 3.44Å; S264-C278 WeakPolarHBondContact CB-OXT 2.98Å; S264-C278 PolarHBondContact OG-O 3.25Å; S264-C278 PolarHBondContact OG-OXT 2.71Å; I267-C278 HydrophobicContact CD1-CB 3.59Å; I267-C278 HydrophobicContact CG1-CB 3.95Å; Y276-C278 HydrophobicContact CD1-CB 3.92Å; Y276-C278 HydrophobicContact CE1-CB 4.07Å

Retrieved 278 of 278 residues in 130.5 ms (Link to these results)

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