A0A060XA99_ONCMY Loading...

RAB42, member RAS oncogene family a

AlphaFold DB (A0A674D683), UniProt , Accession A0A060XA99, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110496408, Length 216 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
1M47Very low81.7Confident208 Ų20866.9 Ų66.9100%1.02533%0.327SS*.  0103.10-99.5-175.2-106.600106.2I3M1-I3 PolarHBondContact O-N 3.43Å
2D57.3Low82.7Confident143 Ų14361.3 Ų61.377%0.76530%0.3SS*.  trans-82.6109.1-177.6-63.2-39.2000109.2L4D2-L4 PolarHBondContact O-N 3.49Å; D2-L4 VanDerWaalsContact O-N 3.16Å
3I62.6Low83.6Confident103 Ų10356.6 Ų56.653%0.52828%0.277SS..  trans-66.4112.3171.1-63.3171.4000107M1 W5 Q6M1-I3 PolarHBondContact O-N 3.43Å; I3-W5 VanDerWaalsContact CG2-O 3.22Å; I3-W5 WeakPolarHBondContact CG2-O 3.35Å; I3-W5 PolarHBondContact O-N 2.98Å; I3-Q6 HydrophobicContact CG2-CG 4.14Å
4L78.7Confident84.3Confident102 Ų10252.6 Ų52.653%0.53426%0.257SS..SBendtrans-62.6-32.7179.7-75.3163.8000112.1D2 K57D2-L4 PolarHBondContact O-N 3.49Å; D2-L4 VanDerWaalsContact O-N 3.16Å; L4-K57 WeakPolarHBondContact O-CD 3.4Å
5W85.9Confident85Confident30 Ų3049.3 Ų49.311%0.11424%0.242CC..  trans-170.8150.317446.5-87000108.9I3 Y7 Q8 K57 K59 S191 G192I3-W5 VanDerWaalsContact CG2-O 3.22Å; I3-W5 WeakPolarHBondContact CG2-O 3.35Å; I3-W5 PolarHBondContact O-N 2.98Å; W5-Y7 VanDerWaalsContact CE3-O 3.3Å; W5-Q8 HydrophobicContact CE3-CB 3.94Å; W5-Q8 HydrophobicContact CH2-CB 3.78Å; W5-Q8 HydrophobicContact CZ3-CB 3.42Å; W5-Q8 VanDerWaalsContact CZ3-CB 3.42Å; W5-K57 CarbonylContact C-O 3.49Å; W5-K57 WeakPolarHBondContact CA-O 3.04Å; W5-K57 HydrophobicContact CB-CG 4.27Å; W5-K59 HydrophobicContact CB-CB 4.1Å; W5-K59 HydrophobicContact CD2-CB 3.91Å; W5-K59 HydrophobicContact CD2-CD 4.39Å; W5-K59 HydrophobicContact CE3-CB 4.41Å; W5-K59 HydrophobicContact CG-CB 3.74Å; W5-K59 HydrophobicContact CG-CD 4.47Å; W5-K59 HydrophobicContact CZ2-CD 4.44Å; W5-S191 WeakPolarHBondContact CZ3-O 3.45Å; W5-G192 VanDerWaalsContact CE3-CA 3.45Å; W5-G192 VanDerWaalsContact CZ3-N 3.35Å; W5-G192 VanDerWaalsContact O-CA 3.26Å; W5-G192 WeakPolarHBondContact O-CA 3.32Å
6Q90.4Very high85.5Confident53 Ų5347.6 Ų47.625%0.24823%0.234CC..SBendtrans-89.8-34.4-179.8-63.5-173.617.700112.9I3 G55 I56 K57 G192I3-Q6 HydrophobicContact CG2-CG 4.14Å; Q6-G55 PolarHBondContact NE2-O 3.14Å; Q6-I56 VanDerWaalsContact OE1-CD1 3.31Å; Q6-K57 PolarHBondContact N-O 2.74Å; Q6-G192 PolarHBondContact O-N 2.73Å
7Y93.4Very high85.8Confident61 Ų6147 Ų4724%0.23924%0.236CC..EExtended strand (participates in β ladder)trans-138.9151.8176.7-57.2-78000111.1W5 F9 I58 K59 Y172 M175 K190W5-Y7 VanDerWaalsContact CE3-O 3.3Å; Y7-F9 HydrophobicContact CG-CE1 4.36Å; Y7-I58 CarbonylContact O-C 3.51Å; Y7-I58 WeakPolarHBondContact O-CA 3.42Å; Y7-K59 PolarHBondContact O-N 3.37Å; Y7-Y172 HydrophobicContact CD2-CD2 4.25Å; Y7-Y172 HydrophobicContact CD2-CE2 4.06Å; Y7-Y172 HydrophobicContact CE2-CD2 4.29Å; Y7-Y172 AromaticContact CE2-CE2 3.73Å; Y7-Y172 HydrophobicContact CE2-CE2 3.73Å; Y7-M175 HydrophobicContact CD1-CE 3.47Å; Y7-M175 VanDerWaalsContact CD1-CE 3.47Å; Y7-M175 HydrophobicContact CD1-SD 4.35Å; Y7-M175 HydrophobicContact CE1-CE 3.41Å; Y7-M175 VanDerWaalsContact CE1-CE 3.41Å; Y7-M175 HydrophobicContact CG-CE 4.14Å; Y7-M175 HydrophobicContact CG-SD 4.49Å; Y7-K190 CarbonylContact C-O 3.6Å; Y7-K190 VanDerWaalsContact CA-O 3.27Å; Y7-K190 WeakPolarHBondContact CA-O 3.46Å
8Q95.4Very high86.2Confident11 Ų1150.1 Ų50.15%0.05126%0.258CS..EExtended strand (participates in β ladder)trans-116.5126.5170.2-179.6-173.8-89.400108.7W5 K59 Q61 V189 K190W5-Q8 HydrophobicContact CE3-CB 3.94Å; W5-Q8 HydrophobicContact CH2-CB 3.78Å; W5-Q8 HydrophobicContact CZ3-CB 3.42Å; W5-Q8 VanDerWaalsContact CZ3-CB 3.42Å; Q8-K59 CarbonylContact C-O 3.51Å; Q8-K59 WeakPolarHBondContact CA-O 3.35Å; Q8-K59 HydrophobicContact CB-CB 4.32Å; Q8-K59 HydrophobicContact CG-CB 4.28Å; Q8-K59 HydrophobicContact CG-CD 4.4Å; Q8-K59 HydrophobicContact CG-CG 4.32Å; Q8-K59 WeakPolarHBondContact CG-O 3.38Å; Q8-Q61 VanDerWaalsContact CD-CD 3.4Å; Q8-Q61 HydrophobicContact CG-CG 3.91Å; Q8-V189 WeakPolarHBondContact O-CA 3.37Å; Q8-K190 HydrophobicContact CB-CB 4.28Å; Q8-K190 PolarHBondContact N-O 3.48Å; Q8-K190 PolarHBondContact O-N 2.82Å
9F96.6Very high86.7Confident0 Ų047.4 Ų47.40%024%0.244CC..EExtended strand (participates in β ladder)trans-111.3134.5176.6-60.7-17.4000110.8Y7 I11 I58 K59 L60 Q61 V83 S168 I171 M175 V189Y7-F9 HydrophobicContact CG-CE1 4.36Å; F9-I11 HydrophobicContact CB-CD1 4.04Å; F9-I58 HydrophobicContact CD1-CG2 4.49Å; F9-I58 HydrophobicContact CD2-CD1 4.24Å; F9-I58 HydrophobicContact CD2-CG2 3.72Å; F9-I58 HydrophobicContact CE2-CD1 3.47Å; F9-I58 VanDerWaalsContact CE2-CD1 3.47Å; F9-I58 HydrophobicContact CE2-CG1 4.44Å; F9-I58 HydrophobicContact CE2-CG2 4Å; F9-I58 HydrophobicContact CG-CG2 3.99Å; F9-I58 HydrophobicContact CZ-CD1 3.68Å; F9-I58 HydrophobicContact CZ-CG1 4.47Å; F9-I58 HydrophobicContact CZ-CG2 4.45Å; F9-K59 PolarHBondContact N-O 3.34Å; F9-L60 HydrophobicContact CB-CD2 3.89Å; F9-L60 HydrophobicContact CD2-CD2 4.25Å; F9-L60 HydrophobicContact CG-CD2 4.49Å; F9-Q61 PolarHBondContact O-N 3.09Å; F9-V83 HydrophobicContact CB-CG1 3.85Å; F9-V83 HydrophobicContact CD1-CG1 4.47Å; F9-V83 HydrophobicContact CG-CG1 4.23Å; F9-S168 WeakPolarHBondContact CE2-O 3.44Å; F9-I171 HydrophobicContact CD1-CG2 4.14Å; F9-I171 HydrophobicContact CD2-CB 4.01Å; F9-I171 HydrophobicContact CD2-CD1 4.01Å; F9-I171 HydrophobicContact CD2-CG2 3.77Å; F9-I171 HydrophobicContact CE1-CG2 3.93Å; F9-I171 HydrophobicContact CE2-CB 3.68Å; F9-I171 HydrophobicContact CE2-CG2 3.46Å; F9-I171 VanDerWaalsContact CE2-CG2 3.46Å; F9-I171 HydrophobicContact CG-CG2 4.11Å; F9-I171 HydrophobicContact CZ-CB 4.24Å; F9-I171 HydrophobicContact CZ-CG2 3.58Å; F9-M175 HydrophobicContact CE1-SD 3.41Å; F9-M175 WeakPolarHBondContact CE1-SD 3.25Å; F9-M175 HydrophobicContact CZ-SD 3.65Å; F9-V189 HydrophobicContact CD1-CG1 4.16Å; F9-V189 HydrophobicContact CD1-CG2 4.14Å; F9-V189 HydrophobicContact CE1-CG1 3.97Å; F9-V189 HydrophobicContact CE1-CG2 4.35Å
10R95.4Very high87.1Confident25 Ų2545.7 Ų45.79%0.09424%0.239CC..EExtended strand (participates in β ladder)trans-94.6115.5173-156.6-175.6-141.7-132.715109.8Q61 N81 S82 V83 G84 G188R10-Q61 WeakPolarHBondContact CA-O 3.49Å; R10-Q61 HydrophobicContact CG-CB 4.34Å; R10-N81 WeakPolarHBondContact CB-O 2.84Å; R10-N81 WeakPolarHBondContact CD-O 3.44Å; R10-S82 WeakPolarHBondContact O-CA 3.45Å; R10-V83 PolarHBondContact O-N 3.39Å; R10-G84 PolarHBondContact O-N 2.88Å; R10-G188 PolarHBondContact N-O 2.95Å
11I96.2Very high87.5Confident0 Ų044 Ų440%023%0.229CC..EExtended strand (participates in β ladder)trans-115.9134.9-175.8-49.2-59.2000109.1F9 L60 Q61 L62 W63 V83 G84 L86 L167 I171F9-I11 HydrophobicContact CB-CD1 4.04Å; I11-L60 HydrophobicContact CG1-CD2 4.08Å; I11-Q61 PolarHBondContact N-O 3.4Å; I11-L62 HydrophobicContact CB-CD2 3.88Å; I11-L62 HydrophobicContact CG1-CD2 4.19Å; I11-L62 HydrophobicContact CG2-CD2 4.39Å; I11-L62 WeakPolarHBondContact O-CA 3.48Å; I11-W63 PolarHBondContact O-N 3.34Å; I11-V83 HydrophobicContact CD1-CG1 4.43Å; I11-G84 VanDerWaalsContact CA-O 3.3Å; I11-G84 WeakPolarHBondContact CA-O 3.34Å; I11-L86 HydrophobicContact CG2-CG 4.46Å; I11-L167 HydrophobicContact CD1-CD2 3.94Å; I11-L167 HydrophobicContact CD1-CG 4.32Å; I11-L167 HydrophobicContact CG1-CD2 4.49Å; I11-L167 HydrophobicContact CG2-CD2 3.6Å; I11-I171 HydrophobicContact CD1-CD1 3.66Å
12I94Very high89.8Confident0 Ų035 Ų350%019%0.187CC..EExtended strand (participates in β ladder)trans-116.2140.5176.8-164.3170.8000111.1L14 W63 T65 T75 Y79 G84 G85 L86 M116I12-L14 HydrophobicContact CD1-CD2 4.16Å; I12-L14 HydrophobicContact CG1-CD2 4.26Å; I12-L14 HydrophobicContact CG2-CD1 4.22Å; I12-L14 HydrophobicContact CG2-CD2 4.3Å; I12-L14 HydrophobicContact CG2-CG 4.14Å; I12-W63 HydrophobicContact CB-CB 4.45Å; I12-W63 HydrophobicContact CG1-CB 4.09Å; I12-T65 HydrophobicContact CD1-CG2 3.56Å; I12-T65 HydrophobicContact CG1-CG2 3.53Å; I12-T75 HydrophobicContact CD1-CG2 4.23Å; I12-Y79 HydrophobicContact CD1-CD1 3.54Å; I12-Y79 HydrophobicContact CD1-CE1 3.7Å; I12-G84 PolarHBondContact N-O 3.36Å; I12-G85 CarbonylContact O-C 3.55Å; I12-G85 WeakPolarHBondContact O-CA 3.35Å; I12-L86 PolarHBondContact O-N 3.16Å; I12-M116 HydrophobicContact CG2-CE 4.17Å; I12-M116 HydrophobicContact CG2-SD 4Å
13L94.6Very high91.6Very high0 Ų029.2 Ų29.20%016%0.157CC..EExtended strand (participates in β ladder)trans-97.5134170.7-78.470000109.6K21 L24 L25 W63 T65 L86 F164L13-K21 HydrophobicContact CB-CB 4.16Å; L13-K21 HydrophobicContact CB-CD 3.99Å; L13-K21 HydrophobicContact CB-CG 4.24Å; L13-K21 HydrophobicContact CD2-CB 3.91Å; L13-K21 HydrophobicContact CD2-CG 4.47Å; L13-K21 WeakPolarHBondContact CD2-O 3.35Å; L13-L24 HydrophobicContact CD2-CD2 4.4Å; L13-L25 HydrophobicContact CD1-CD1 3.88Å; L13-L25 HydrophobicContact CD1-CD2 3.76Å; L13-L25 HydrophobicContact CD1-CG 3.95Å; L13-L25 HydrophobicContact CD2-CD1 3.76Å; L13-L25 HydrophobicContact CD2-CD2 4.18Å; L13-L25 HydrophobicContact CD2-CG 3.54Å; L13-L25 HydrophobicContact CG-CD1 4.29Å; L13-L25 HydrophobicContact CG-CG 4.35Å; L13-W63 PolarHBondContact N-O 3.47Å; L13-T65 WeakPolarHBondContact O-CG2 3.36Å; L13-T65 PolarHBondContact O-OG1 3.23Å; L13-L86 HydrophobicContact CD1-CD1 4.11Å; L13-L86 HydrophobicContact CG-CB 4.13Å; L13-L86 HydrophobicContact CG-CD1 4.12Å; L13-F164 HydrophobicContact CD1-CE1 4.45Å
14L93.1Very high93.3Very high0 Ų024.3 Ų24.30%013%0.132CC..EExtended strand (participates in β ladder)trans-130.1149.3-174.1-58.7165.3000109.1I12 Y79 L86 L87 V88 W103 V107 Y118I12-L14 HydrophobicContact CD1-CD2 4.16Å; I12-L14 HydrophobicContact CG1-CD2 4.26Å; I12-L14 HydrophobicContact CG2-CD1 4.22Å; I12-L14 HydrophobicContact CG2-CD2 4.3Å; I12-L14 HydrophobicContact CG2-CG 4.14Å; L14-Y79 HydrophobicContact CD2-CD1 4.26Å; L14-Y79 HydrophobicContact CD2-CE1 3.55Å; L14-L86 PolarHBondContact N-O 3.21Å; L14-L87 HydrophobicContact CB-CD2 4.02Å; L14-L87 HydrophobicContact CD1-CD2 3.92Å; L14-V88 PolarHBondContact O-N 3.39Å; L14-W103 HydrophobicContact CB-CE3 4.47Å; L14-W103 HydrophobicContact CD2-CE3 4.42Å; L14-V107 HydrophobicContact CD1-CB 4.37Å; L14-V107 HydrophobicContact CD1-CG2 3.56Å; L14-V107 HydrophobicContact CD2-CG2 3.73Å; L14-V107 HydrophobicContact CG-CG2 4.29Å; L14-Y118 HydrophobicContact CD1-CE1 4.06Å
15G94.1Very high94.1Very high3 Ų319.4 Ų19.43%0.03111%0.107CC..SBendtrans138.3167.8-179.200000112K21 G67 V88 W103G15-K21 PolarHBondContact O-NZ 2.96Å; G15-G67 VanDerWaalsContact O-CA 3.27Å; G15-G67 WeakPolarHBondContact O-CA 3.34Å; G15-V88 WeakPolarHBondContact CA-O 3.48Å; G15-W103 VanDerWaalsContact C-CE2 3.42Å; G15-W103 VanDerWaalsContact C-NE1 3.34Å; G15-W103 WeakPolarHBondContact O-CZ2 3.36Å
16D93.2Very high94.5Very high23 Ų2322.4 Ų22.412%0.12312%0.121CC..  trans-58.6163-176-78.718.4000113.2V19 K21 G67 T96 H99 W103D16-V19 HydrophobicContact CB-CG1 3.8Å; D16-V19 WeakPolarHBondContact O-CG2 3.49Å; D16-K21 PolarHBondContact O-NZ 2.94Å; D16-G67 CarbonylContact C-O 3.57Å; D16-T96 HydrophobicContact CB-CG2 3.89Å; D16-H99 IonicContact OD1-CG 3.34Å; D16-H99 IonicContact OD1-ND1 3.31Å; D16-H99 PolarHBondContact OD1-ND1 3.1Å; D16-H99 IonicContact OD2-CE1 3.73Å; D16-H99 IonicContact OD2-CG 2.73Å; D16-H99 IonicContact OD2-ND1 2.79Å; D16-H99 PolarHBondContact OD2-ND1 2.6Å; D16-W103 PolarHBondContact OD1-NE1 3.02Å
17S90.6Very high94.8Very high37 Ų3722 Ų2226%0.25912%0.117SC..THydrogen-bonded Turntrans-58.2151.2167.9-165.60000110V19 G67S17-V19 PolarHBondContact O-N 3.31Å; S17-V19 VanDerWaalsContact O-N 3.08Å; S17-G67 PolarHBondContact N-O 3.18Å
18T92.6Very high95Very high102 Ų10219.4 Ų19.463%0.62611%0.107SC*.THydrogen-bonded Turntrans67.4-2.9176.677.70000117.4G20 K124T18-G20 PolarHBondContact O-N 3.16Å; T18-K124 WeakPolarHBondContact O-CE 3.18Å; T18-K124 PolarHBondContact O-NZ 2.8Å
19V95.9Very high94.9Very high0 Ų020.2 Ų20.20%011%0.113CC..SBendtrans-65.6-19.3176.6-57.90000113.7D16 S17 K21 V88 D90 T96 H123D16-V19 HydrophobicContact CB-CG1 3.8Å; D16-V19 WeakPolarHBondContact O-CG2 3.49Å; S17-V19 PolarHBondContact O-N 3.31Å; S17-V19 VanDerWaalsContact O-N 3.08Å; V19-K21 HydrophobicContact CG2-CD 4.35Å; V19-K21 HydrophobicContact CG2-CG 3.67Å; V19-V88 HydrophobicContact CB-CG1 4.39Å; V19-V88 HydrophobicContact CG2-CB 4.07Å; V19-V88 HydrophobicContact CG2-CG1 3.91Å; V19-D90 HydrophobicContact CB-CB 4.38Å; V19-D90 HydrophobicContact CG1-CB 4.32Å; V19-T96 HydrophobicContact CG1-CG2 3.7Å; V19-H123 PolarHBondContact O-CD2 2.97Å
20G95.4Very high94.7Very high13 Ų1324.6 Ų24.613%0.13414%0.136CC..SBendtrans105.521.3174.800000115.9T18 S22 S23 L24T18-G20 PolarHBondContact O-N 3.16Å; G20-S22 PolarHBondContact O-N 3Å; G20-S23 PolarHBondContact O-N 3.36Å; G20-L24 WeakPolarHBondContact O-CB 3.33Å; G20-L24 PolarHBondContact O-N 3.13Å
21K95.5Very high94.6Very high9 Ų925.5 Ų25.54%0.03915%0.153CC..Hα-helixtrans-52.5-51.7178.3-60.5-173.6-60.7-75.80112.9L13 G15 D16 V19 S23 L24 L25 D64 T65 V88L13-K21 HydrophobicContact CB-CB 4.16Å; L13-K21 HydrophobicContact CB-CD 3.99Å; L13-K21 HydrophobicContact CB-CG 4.24Å; L13-K21 HydrophobicContact CD2-CB 3.91Å; L13-K21 HydrophobicContact CD2-CG 4.47Å; L13-K21 WeakPolarHBondContact CD2-O 3.35Å; G15-K21 PolarHBondContact O-NZ 2.96Å; D16-K21 PolarHBondContact O-NZ 2.94Å; V19-K21 HydrophobicContact CG2-CD 4.35Å; V19-K21 HydrophobicContact CG2-CG 3.67Å; K21-S23 PolarHBondContact O-N 3.09Å; K21-L24 WeakPolarHBondContact O-CB 3.32Å; K21-L24 PolarHBondContact O-N 3.46Å; K21-L25 PolarHBondContact O-N 2.87Å; K21-D64 VanDerWaalsContact CB-OD1 3.3Å; K21-D64 WeakPolarHBondContact CB-OD1 3.23Å; K21-T65 WeakPolarHBondContact CE-O 3.47Å; K21-V88 HydrophobicContact CG-CB 4.14Å; K21-V88 HydrophobicContact CG-CG2 4.21Å
22S94.7Very high94.4Very high21 Ų2130.4 Ų30.415%0.14718%0.178CC..Hα-helixtrans-62.8-42.3178.9-36.50000112.4G20 L24 L25 K26 T40 D64G20-S22 PolarHBondContact O-N 3Å; S22-L24 VanDerWaalsContact C-N 3.35Å; S22-L25 PolarHBondContact O-N 3.29Å; S22-K26 WeakPolarHBondContact O-CB 3.48Å; S22-K26 WeakPolarHBondContact O-CG 3.11Å; S22-K26 PolarHBondContact O-N 2.98Å; S22-T40 PolarHBondContact OG-OG1 3.44Å; S22-D64 WeakPolarHBondContact CA-OD2 3.18Å; S22-D64 WeakPolarHBondContact CB-OD2 3.42Å; S22-D64 PolarHBondContact N-OD1 3.34Å; S22-D64 PolarHBondContact OG-OD2 3.25Å
23S95.8Very high94.3Very high20 Ų2033.8 Ų33.814%0.1419%0.191CC..Hα-helixtrans-66.9-37.6177.7-56.10000111.8G20 K21 R27 A154G20-S23 PolarHBondContact O-N 3.36Å; K21-S23 PolarHBondContact O-N 3.09Å; S23-R27 VanDerWaalsContact O-CB 3.27Å; S23-R27 WeakPolarHBondContact O-CB 3.22Å; S23-R27 PolarHBondContact O-N 3.2Å; S23-A154 WeakPolarHBondContact O-CB 3.33Å
24L97.1Very high94Very high0 Ų036.9 Ų36.90%021%0.213CC..Hα-helixtrans-63.5-44.1173.9-179.863.3000111.1L13 G20 K21 S22 F28 V88 I121 V160 F164L13-L24 HydrophobicContact CD2-CD2 4.4Å; G20-L24 WeakPolarHBondContact O-CB 3.33Å; G20-L24 PolarHBondContact O-N 3.13Å; K21-L24 WeakPolarHBondContact O-CB 3.32Å; K21-L24 PolarHBondContact O-N 3.46Å; S22-L24 VanDerWaalsContact C-N 3.35Å; L24-F28 WeakPolarHBondContact O-CB 3.44Å; L24-F28 PolarHBondContact O-N 3.31Å; L24-V88 HydrophobicContact CD2-CG2 4.4Å; L24-I121 HydrophobicContact CD2-CG2 4.28Å; L24-V160 HydrophobicContact CD1-CB 4.31Å; L24-V160 HydrophobicContact CD1-CG1 3.88Å; L24-V160 HydrophobicContact CD1-CG2 3.89Å; L24-F164 HydrophobicContact CD1-CE2 4.43Å; L24-F164 HydrophobicContact CG-CE2 4.17Å; L24-F164 HydrophobicContact CG-CZ 4.36Å
25L95.6Very high93.5Very high0 Ų042.5 Ų42.50%024%0.243CC..Hα-helixtrans-65.1-52.1176.3-81.5171.3000112.7L13 K21 S22 R27 F28 T29 Y46 L62 D64 F164L13-L25 HydrophobicContact CD1-CD1 3.88Å; L13-L25 HydrophobicContact CD1-CD2 3.76Å; L13-L25 HydrophobicContact CD1-CG 3.95Å; L13-L25 HydrophobicContact CD2-CD1 3.76Å; L13-L25 HydrophobicContact CD2-CD2 4.18Å; L13-L25 HydrophobicContact CD2-CG 3.54Å; L13-L25 HydrophobicContact CG-CD1 4.29Å; L13-L25 HydrophobicContact CG-CG 4.35Å; K21-L25 PolarHBondContact O-N 2.87Å; S22-L25 PolarHBondContact O-N 3.29Å; L25-R27 PolarHBondContact O-N 3.16Å; L25-F28 CarbonylContact O-C 3.55Å; L25-F28 WeakPolarHBondContact O-CA 3.36Å; L25-F28 WeakPolarHBondContact O-CB 3.35Å; L25-F28 PolarHBondContact O-N 2.71Å; L25-T29 PolarHBondContact O-N 3.43Å; L25-T29 PolarHBondContact O-OG1 3.29Å; L25-Y46 HydrophobicContact CB-CD2 4.43Å; L25-Y46 HydrophobicContact CD1-CD2 4.18Å; L25-Y46 HydrophobicContact CD1-CE2 4.43Å; L25-L62 HydrophobicContact CD2-CB 3.59Å; L25-L62 HydrophobicContact CD2-CD1 3.56Å; L25-L62 HydrophobicContact CD2-CD2 4.36Å; L25-L62 HydrophobicContact CD2-CG 4.02Å; L25-D64 HydrophobicContact CD1-CB 3.42Å; L25-D64 VanDerWaalsContact CD1-CB 3.42Å; L25-F164 HydrophobicContact CD2-CE1 4.01Å; L25-F164 HydrophobicContact CD2-CZ 3.91Å
26K94.3Very high93Very high93 Ų9347.8 Ų47.840%0.40428%0.275SS..Hα-helixtrans-58.5-37.3177.9-72.6177.2179.8178.10111.7S22 D30 G31 I32 Y46S22-K26 WeakPolarHBondContact O-CB 3.48Å; S22-K26 WeakPolarHBondContact O-CG 3.11Å; S22-K26 PolarHBondContact O-N 2.98Å; K26-D30 WeakPolarHBondContact O-CA 3.33Å; K26-D30 WeakPolarHBondContact O-CB 3.39Å; K26-D30 PolarHBondContact O-N 3.01Å; K26-G31 PolarHBondContact O-N 2.78Å; K26-I32 CarbonylContact C-O 3.59Å; K26-I32 PolarHBondContact O-N 3.34Å; K26-Y46 VanDerWaalsContact CE-OH 3.24Å; K26-Y46 WeakPolarHBondContact CE-OH 3.35Å; K26-Y46 HydrophobicContact CG-CE1 4.28Å
27R96.8Very high92.2Very high45 Ų4549.8 Ų49.817%0.1729%0.294CS..Hα-helixtrans-64.6-44.2173.3179.158.273.4171.419.7111.2S23 L25 G31 I32 A154 K155 N157 V160S23-R27 VanDerWaalsContact O-CB 3.27Å; S23-R27 WeakPolarHBondContact O-CB 3.22Å; S23-R27 PolarHBondContact O-N 3.2Å; L25-R27 PolarHBondContact O-N 3.16Å; R27-G31 PolarHBondContact NH1-O 2.6Å; R27-G31 WeakPolarHBondContact O-CA 3.29Å; R27-G31 PolarHBondContact O-N 3.34Å; R27-G31 VanDerWaalsContact O-N 3.13Å; R27-I32 VanDerWaalsContact CA-O 3.24Å; R27-I32 WeakPolarHBondContact CA-O 3.46Å; R27-I32 PolarHBondContact N-O 3.05Å; R27-A154 HydrophobicContact CB-CB 4.08Å; R27-A154 VanDerWaalsContact CZ-O 3.31Å; R27-A154 PolarHBondContact NE-O 3Å; R27-A154 PolarHBondContact NH2-O 3.33Å; R27-K155 PolarHBondContact NH2-O 3Å; R27-K155 VanDerWaalsContact NH2-O 3.16Å; R27-N157 WeakPolarHBondContact CD-OD1 3.32Å; R27-N157 HydrophobicContact CG-CB 4.49Å; R27-N157 WeakPolarHBondContact CG-OD1 3.31Å; R27-V160 HydrophobicContact CB-CG1 4.39Å; R27-V160 HydrophobicContact CG-CB 4.35Å; R27-V160 HydrophobicContact CG-CG1 4.06Å; R27-V160 HydrophobicContact CG-CG2 3.97Å
28F97.2Very high91.7Very high5 Ų554.7 Ų54.72%0.02232%0.318CS..Hα-helixtrans-67.1-41.2178.3178.5-111.2000112.6L24 L25 R48 L50 L60 L62 V160 F164L24-F28 WeakPolarHBondContact O-CB 3.44Å; L24-F28 PolarHBondContact O-N 3.31Å; L25-F28 CarbonylContact O-C 3.55Å; L25-F28 WeakPolarHBondContact O-CA 3.36Å; L25-F28 WeakPolarHBondContact O-CB 3.35Å; L25-F28 PolarHBondContact O-N 2.71Å; F28-R48 HydrophobicContact CE1-CB 3.95Å; F28-R48 HydrophobicContact CE1-CG 4.21Å; F28-R48 HydrophobicContact CZ-CG 4.33Å; F28-R48 WeakPolarHBondContact O-CD 3.32Å; F28-R48 VanDerWaalsContact O-CZ 3.29Å; F28-R48 PolarHBondContact O-NE 3.41Å; F28-R48 PolarHBondContact O-NH1 3.45Å; F28-L50 HydrophobicContact CZ-CD2 4.22Å; F28-L60 HydrophobicContact CE1-CD1 4.09Å; F28-L60 HydrophobicContact CZ-CD1 4.15Å; F28-L62 HydrophobicContact CD1-CD1 3.65Å; F28-L62 HydrophobicContact CE1-CD1 3.78Å; F28-V160 HydrophobicContact CB-CG1 3.71Å; F28-V160 HydrophobicContact CD2-CG1 4.33Å; F28-F164 HydrophobicContact CB-CD2 3.94Å; F28-F164 HydrophobicContact CB-CE2 3.57Å; F28-F164 HydrophobicContact CB-CZ 4.11Å; F28-F164 AromaticContact CD1-CD1 4Å; F28-F164 HydrophobicContact CD1-CD1 4Å; F28-F164 AromaticContact CD1-CD2 3.88Å; F28-F164 HydrophobicContact CD1-CD2 3.88Å; F28-F164 HydrophobicContact CD1-CE1 4.08Å; F28-F164 AromaticContact CD1-CE2 4Å; F28-F164 HydrophobicContact CD1-CE2 4Å; F28-F164 AromaticContact CD1-CG 3.9Å; F28-F164 HydrophobicContact CD1-CG 3.9Å; F28-F164 HydrophobicContact CD1-CZ 4.09Å; F28-F164 HydrophobicContact CD2-CB 4.08Å; F28-F164 AromaticContact CD2-CD2 3.35Å; F28-F164 HydrophobicContact CD2-CD2 3.35Å; F28-F164 AromaticContact CD2-CE2 3.93Å; F28-F164 HydrophobicContact CD2-CE2 3.93Å; F28-F164 AromaticContact CD2-CG 3.81Å; F28-F164 HydrophobicContact CD2-CG 3.81Å; F28-F164 HydrophobicContact CE1-CB 4.09Å; F28-F164 AromaticContact CE1-CD1 3.9Å; F28-F164 HydrophobicContact CE1-CD1 3.9Å; F28-F164 HydrophobicContact CE1-CD2 4.22Å; F28-F164 HydrophobicContact CE1-CE1 4.4Å; F28-F164 AromaticContact CE1-CG 3.81Å; F28-F164 HydrophobicContact CE1-CG 3.81Å; F28-F164 HydrophobicContact CE2-CB 3.52Å; F28-F164 AromaticContact CE2-CD2 3.75Å; F28-F164 HydrophobicContact CE2-CD2 3.75Å; F28-F164 AromaticContact CE2-CG 3.73Å; F28-F164 HydrophobicContact CE2-CG 3.73Å; F28-F164 HydrophobicContact CG-CD1 4.39Å; F28-F164 AromaticContact CG-CD2 3.43Å; F28-F164 HydrophobicContact CG-CD2 3.43Å; F28-F164 VanDerWaalsContact CG-CD2 3.43Å; F28-F164 HydrophobicContact CG-CE1 4.47Å; F28-F164 AromaticContact CG-CE2 3.56Å; F28-F164 HydrophobicContact CG-CE2 3.56Å; F28-F164 AromaticContact CG-CG 3.9Å; F28-F164 HydrophobicContact CG-CG 3.9Å; F28-F164 HydrophobicContact CG-CZ 4.09Å; F28-F164 HydrophobicContact CZ-CB 3.53Å; F28-F164 HydrophobicContact CZ-CD1 4.24Å; F28-F164 HydrophobicContact CZ-CD2 4.17Å; F28-F164 AromaticContact CZ-CG 3.73Å; F28-F164 HydrophobicContact CZ-CG 3.73Å
29T94.5Very high91.2Very high29 Ų2954 Ų5418%0.17832%0.315CS..Hα-helixtrans-86.7-43.6-173.460.70000112.9L25 Y46 R48 L62L25-T29 PolarHBondContact O-N 3.43Å; L25-T29 PolarHBondContact O-OG1 3.29Å; T29-Y46 HydrophobicContact CG2-CD1 4.39Å; T29-Y46 HydrophobicContact CG2-CG 4.39Å; T29-R48 HydrophobicContact CG2-CB 4.3Å; T29-L62 HydrophobicContact CG2-CD1 3.61Å
30D93.1Very high90.3Very high92 Ų9255.1 Ų55.149%0.49232%0.322SS..Hα-helixtrans-109.9-10-167.8-48.5-18.1000111.2K26 I32K26-D30 WeakPolarHBondContact O-CA 3.33Å; K26-D30 WeakPolarHBondContact O-CB 3.39Å; K26-D30 PolarHBondContact O-N 3.01Å; D30-I32 HydrophobicContact CB-CB 4.32Å; D30-I32 HydrophobicContact CB-CD1 3.95Å; D30-I32 HydrophobicContact CB-CG1 4.09Å; D30-I32 PolarHBondContact O-N 3Å
31G93Very high89.3Confident44 Ų4460 Ų6045%0.45435%0.349SS..SBendtrans69.418-172.900000112.7K26 R27K26-G31 PolarHBondContact O-N 2.78Å; R27-G31 PolarHBondContact NH1-O 2.6Å; R27-G31 WeakPolarHBondContact O-CA 3.29Å; R27-G31 PolarHBondContact O-N 3.34Å; R27-G31 VanDerWaalsContact O-N 3.13Å
32I91Very high88.2Confident102 Ų10260.4 Ų60.452%0.52336%0.355SS..  trans-110.4147-173.5-61.8168.9000110.8K26 R27 D30K26-I32 CarbonylContact C-O 3.59Å; K26-I32 PolarHBondContact O-N 3.34Å; R27-I32 VanDerWaalsContact CA-O 3.24Å; R27-I32 WeakPolarHBondContact CA-O 3.46Å; R27-I32 PolarHBondContact N-O 3.05Å; D30-I32 HydrophobicContact CB-CB 4.32Å; D30-I32 HydrophobicContact CB-CD1 3.95Å; D30-I32 HydrophobicContact CB-CG1 4.09Å; D30-I32 PolarHBondContact O-N 3Å
33Y93.3Very high87.4Confident71 Ų7160.7 Ų60.728%0.27836%0.356SS..  trans-135.2144.5168.4169.3-92.3000109.3D35 A154 K155Y33-D35 VanDerWaalsContact CE1-OD1 3.25Å; Y33-D35 WeakPolarHBondContact CE1-OD1 3.41Å; Y33-D35 PolarHBondContact OH-OD1 3.5Å; Y33-A154 HydrophobicContact CD2-CB 3.86Å; Y33-A154 HydrophobicContact CE2-CB 4.35Å; Y33-K155 HydrophobicContact CD1-CB 4.38Å; Y33-K155 HydrophobicContact CD1-CG 4.26Å; Y33-K155 HydrophobicContact CD2-CB 4.32Å; Y33-K155 HydrophobicContact CE1-CB 4.02Å; Y33-K155 HydrophobicContact CE1-CD 4.24Å; Y33-K155 HydrophobicContact CE1-CG 3.79Å; Y33-K155 HydrophobicContact CE2-CB 3.93Å
34S87.3Confident86.9Confident65 Ų6563.1 Ų63.146%0.45537%0.367SS..  trans-128.3136.1174.5178.40000108.9V36S34-V36 WeakPolarHBondContact CB-O 3.24Å; S34-V36 PolarHBondContact OG-N 3.47Å; S34-V36 PolarHBondContact OG-O 3.42Å
35D82.9Confident86.5Confident119 Ų11967.7 Ų67.764%0.63639%0.387SS*.SBendtrans-71.4-22.6171.9-71.5-61.5000111.9Y33 K155Y33-D35 VanDerWaalsContact CE1-OD1 3.25Å; Y33-D35 WeakPolarHBondContact CE1-OD1 3.41Å; Y33-D35 PolarHBondContact OH-OD1 3.5Å; D35-K155 IonicContact OD1-NZ 2.6Å
36V82.6Confident86.4Confident114 Ų11469.6 Ų69.669%0.69140%0.395SS*.  trans-98.8119.1171.8-174.90000108.6S34S34-V36 WeakPolarHBondContact CB-O 3.24Å; S34-V36 PolarHBondContact OG-N 3.47Å; S34-V36 PolarHBondContact OG-O 3.42Å
37A77.4Confident86.3Confident64 Ų6467.5 Ų67.553%0.52940%0.395SS..  trans-128.8115.8175.500000109.4
38D80.5Confident86.2Confident141 Ų14169.2 Ų69.275%0.75440%0.402SS*.PPolyproline II helixtrans-67.5144.7170.4-65.6-48.6000110T40D38-T40 PolarHBondContact O-N 2.95Å
39P81.1Confident86.1Confident88 Ų8871.9 Ų71.957%0.57142%0.421SS*.PPolyproline II helixtrans-59.1132.1174.9-21.732.6000111.3V41P39-V41 PolarHBondContact O-N 2.95Å
40T76.6Confident86Confident23 Ų2371.1 Ų71.114%0.14142%0.416CS..PPolyproline II helixtrans-60.2128.3172.6-44.70000110.3S22 D38 D64 A66S22-T40 PolarHBondContact OG-OG1 3.44Å; D38-T40 PolarHBondContact O-N 2.95Å; T40-D64 PolarHBondContact OG1-OD2 3.28Å; T40-A66 WeakPolarHBondContact O-CB 3.37Å
41V75.2Confident85.9Confident116 Ų11671.4 Ų71.470%0.70342%0.417SS*.  trans-103.9112.9173.6-179.70000108.1P39P39-V41 PolarHBondContact O-N 2.95Å
42G72.1Confident85.8Confident16 Ų1669.6 Ų69.617%0.16540%0.397CS..SBendtrans77-123.2-177.300000112.6A66G42-A66 VanDerWaalsContact O-CB 3.28Å; G42-A66 WeakPolarHBondContact O-CB 3.38Å; G42-A66 PolarHBondContact O-N 2.9Å
43V78.9Confident85.7Confident28 Ų2868.4 Ų68.417%0.1739%0.389CS..EExtended strand (participates in β ladder)trans-140.2126-175.5-172.50000110.2W63 D64 Y78V43-W63 HydrophobicContact CG1-CB 4.2Å; V43-W63 HydrophobicContact CG1-CD2 4.5Å; V43-W63 HydrophobicContact CG1-CE3 3.63Å; V43-W63 HydrophobicContact CG1-CZ3 4.45Å; V43-D64 CarbonylContact C-O 3.47Å; V43-D64 WeakPolarHBondContact CA-O 3.45Å; V43-D64 VanDerWaalsContact CG1-O 3.25Å; V43-D64 WeakPolarHBondContact CG1-O 3.28Å; V43-Y78 HydrophobicContact CB-CE2 4.17Å; V43-Y78 HydrophobicContact CG1-CD1 4.26Å; V43-Y78 HydrophobicContact CG1-CE1 4.19Å; V43-Y78 HydrophobicContact CG1-CE2 4.48Å; V43-Y78 HydrophobicContact CG1-CG 4.47Å; V43-Y78 HydrophobicContact CG2-CD2 3.94Å; V43-Y78 HydrophobicContact CG2-CE2 3.66Å
44D85.1Confident85.4Confident70 Ų7074.5 Ų74.537%0.37442%0.42SS..EExtended strand (participates in β ladder)trans-100.3151.2174.3-69.9-39.5000111.3Y46 D64D44-Y46 HydrophobicContact CB-CE2 3.91Å; D44-D64 HydrophobicContact CB-CB 4.12Å; D44-D64 PolarHBondContact N-O 2.95Å; D44-D64 PolarHBondContact O-N 2.86Å
45F88.6Confident85.2Confident97 Ų9774.5 Ų74.543%0.42543%0.431SS..EExtended strand (participates in β ladder)trans-116.8132.2-178171.9-95.1000111.7A47 Q61 L62 W63F45-A47 HydrophobicContact CE1-CB 4.24Å; F45-A47 HydrophobicContact CZ-CB 4.08Å; F45-Q61 HydrophobicContact CE2-CB 3.78Å; F45-Q61 HydrophobicContact CE2-CG 3.75Å; F45-Q61 HydrophobicContact CZ-CB 4.41Å; F45-Q61 HydrophobicContact CZ-CG 3.94Å; F45-L62 WeakPolarHBondContact CA-O 3.4Å; F45-W63 HydrophobicContact CB-CE3 4.4Å; F45-W63 HydrophobicContact CB-CZ3 4.15Å; F45-W63 HydrophobicContact CD2-CD2 4.28Å; F45-W63 AromaticContact CD2-CE2 3.91Å; F45-W63 HydrophobicContact CD2-CE3 4.39Å; F45-W63 AromaticContact CD2-CH2 3.95Å; F45-W63 HydrophobicContact CD2-CH2 3.95Å; F45-W63 AromaticContact CD2-CZ2 3.74Å; F45-W63 HydrophobicContact CD2-CZ2 3.74Å; F45-W63 HydrophobicContact CD2-CZ3 4.23Å; F45-W63 HydrophobicContact CE2-CZ2 4.18Å
46Y92.3Very high85.6Confident39 Ų3970 Ų7015%0.15341%0.406CS..EExtended strand (participates in β ladder)trans-130.4158.8172.2-57.9-98000111.2L25 K26 T29 D44 L62 D64L25-Y46 HydrophobicContact CB-CD2 4.43Å; L25-Y46 HydrophobicContact CD1-CD2 4.18Å; L25-Y46 HydrophobicContact CD1-CE2 4.43Å; K26-Y46 VanDerWaalsContact CE-OH 3.24Å; K26-Y46 WeakPolarHBondContact CE-OH 3.35Å; K26-Y46 HydrophobicContact CG-CE1 4.28Å; T29-Y46 HydrophobicContact CG2-CD1 4.39Å; T29-Y46 HydrophobicContact CG2-CG 4.39Å; D44-Y46 HydrophobicContact CB-CE2 3.91Å; Y46-L62 PolarHBondContact N-O 3.45Å; Y46-L62 PolarHBondContact O-N 2.7Å; Y46-D64 HydrophobicContact CE2-CB 4.31Å
47A93.6Very high86.1Confident50 Ų5068.2 Ų68.241%0.41339%0.389SS..EExtended strand (participates in β ladder)trans-139.7136.3172.900000112F45 L60F45-A47 HydrophobicContact CE1-CB 4.24Å; F45-A47 HydrophobicContact CZ-CB 4.08Å; A47-L60 WeakPolarHBondContact CA-O 3.42Å
48R94.4Very high86.9Confident81 Ų8165.1 Ų65.131%0.30636%0.364SS..EExtended strand (participates in β ladder)trans-144.6137.5174-178.3169.8178-149.5-3.9109.6F28 T29 L60 D161F28-R48 HydrophobicContact CE1-CB 3.95Å; F28-R48 HydrophobicContact CE1-CG 4.21Å; F28-R48 HydrophobicContact CZ-CG 4.33Å; F28-R48 WeakPolarHBondContact O-CD 3.32Å; F28-R48 VanDerWaalsContact O-CZ 3.29Å; F28-R48 PolarHBondContact O-NE 3.41Å; F28-R48 PolarHBondContact O-NH1 3.45Å; T29-R48 HydrophobicContact CG2-CB 4.3Å; R48-L60 PolarHBondContact N-O 3.35Å; R48-L60 VanDerWaalsContact N-O 3.14Å; R48-L60 WeakPolarHBondContact O-CB 3.47Å; R48-L60 PolarHBondContact O-N 2.78Å; R48-D161 IonicContact CZ-OD1 2.62Å; R48-D161 IonicContact NH1-OD1 2.94Å; R48-D161 PolarHBondContact NH1-OD1 2.99Å; R48-D161 IonicContact NH2-OD1 3.1Å; R48-D161 PolarHBondContact NH2-OD1 2.77Å
49S93.8Very high87.7Confident60 Ų6061.2 Ų61.242%0.4234%0.34SS..EExtended strand (participates in β ladder)trans-94.9145.3172.8-56.70000110.6I58S49-I58 CarbonylContact C-O 3.58Å; S49-I58 VanDerWaalsContact CA-O 3.23Å; S49-I58 WeakPolarHBondContact CA-O 3.37Å
50L93Very high88.4Confident14 Ų1457 Ų577%0.07331%0.313CS..EExtended strand (participates in β ladder)trans-140.6145.3177.661.5108.3000111F28 I52 I58 L60F28-L50 HydrophobicContact CZ-CD2 4.22Å; L50-I52 HydrophobicContact CD1-CB 4.46Å; L50-I52 HydrophobicContact CD1-CG2 3.26Å; L50-I58 PolarHBondContact N-O 2.86Å; L50-I58 PolarHBondContact O-N 3.45Å; L50-L60 HydrophobicContact CD2-CD1 3.25Å; L50-L60 HydrophobicContact CD2-CD2 4.16Å; L50-L60 HydrophobicContact CD2-CG 3.43Å; L50-L60 VanDerWaalsContact CD2-CG 3.43Å
51D91.9Very high89.3Confident98 Ų9857.4 Ų57.452%0.52431%0.313SS..EExtended strand (participates in β ladder)trans-88.7114.9172.7-60-69.8000108.6I56 K57D51-I56 WeakPolarHBondContact CA-O 3.23Å; D51-K57 WeakPolarHBondContact OD1-CB 3.27Å; D51-K57 WeakPolarHBondContact OD1-CE 3.26Å
52I90.9Very high90.3Very high6 Ų651.9 Ų51.93%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-87.6-35.3-179.445.9152.9000112.6L50 I56 I58 R169 Y172L50-I52 HydrophobicContact CD1-CB 4.46Å; L50-I52 HydrophobicContact CD1-CG2 3.26Å; I52-I56 HydrophobicContact CD1-CB 4.25Å; I52-I56 HydrophobicContact CD1-CG2 3.58Å; I52-I56 HydrophobicContact CG1-CB 3.92Å; I52-I56 HydrophobicContact CG1-CG2 3.65Å; I52-I56 WeakPolarHBondContact CG1-O 3.46Å; I52-I56 PolarHBondContact N-O 2.98Å; I52-I58 HydrophobicContact CB-CD1 4.33Å; I52-I58 HydrophobicContact CD1-CD1 3.24Å; I52-I58 HydrophobicContact CD1-CG1 4.07Å; I52-I58 HydrophobicContact CG1-CD1 3.59Å; I52-I58 HydrophobicContact CG1-CG1 4.04Å; I52-I58 HydrophobicContact CG2-CD1 3.79Å; I52-R169 HydrophobicContact CB-CG 4.2Å; I52-R169 HydrophobicContact CG2-CG 4.12Å; I52-R169 PolarHBondContact O-NE 3.34Å; I52-R169 PolarHBondContact O-NH2 3.3Å; I52-Y172 HydrophobicContact CD1-CD1 3.16Å; I52-Y172 HydrophobicContact CD1-CD2 3.71Å; I52-Y172 HydrophobicContact CD1-CE1 3.59Å; I52-Y172 HydrophobicContact CD1-CE2 4.14Å; I52-Y172 HydrophobicContact CD1-CG 3.18Å
53E88.2Confident91.2Very high76 Ų7652.7 Ų52.736%0.35528%0.278SS..EExtended strand (participates in β ladder)trans-142.5168.7178.3-65.2-177.7179.700108.7G55 I56 Y172 K176E53-G55 PolarHBondContact O-N 2.87Å; E53-G55 VanDerWaalsContact O-N 3.09Å; E53-I56 HydrophobicContact CB-CB 4.04Å; E53-I56 HydrophobicContact CB-CG1 3.75Å; E53-I56 PolarHBondContact O-N 3.04Å; E53-Y172 HydrophobicContact CG-CE1 4.48Å; E53-K176 IonicContact OE1-NZ 3.45Å; E53-K176 PolarHBondContact OE1-NZ 2.83Å
54Q86Confident91.8Very high199 Ų19951.4 Ų51.493%0.9327%0.27SS*.THydrogen-bonded Turntrans-59.6117.3178.9-71.7176.8-3.700110.7I56Q54-I56 PolarHBondContact O-N 2.8Å
55G84.7Confident91.6Very high66 Ų6648 Ų4868%0.6825%0.252SS*.THydrogen-bonded Turntrans79.2-5.8-178.600000115Q6 E53Q6-G55 PolarHBondContact NE2-O 3.14Å; E53-G55 PolarHBondContact O-N 2.87Å; E53-G55 VanDerWaalsContact O-N 3.09Å
56I90.3Very high91.1Very high24 Ų2443.6 Ų43.612%0.12323%0.233CC..EExtended strand (participates in β ladder)trans-100.899179.4-44.2-58.7000110.3Q6 D51 I52 E53 Q54 Y172Q6-I56 VanDerWaalsContact OE1-CD1 3.31Å; D51-I56 WeakPolarHBondContact CA-O 3.23Å; I52-I56 HydrophobicContact CD1-CB 4.25Å; I52-I56 HydrophobicContact CD1-CG2 3.58Å; I52-I56 HydrophobicContact CG1-CB 3.92Å; I52-I56 HydrophobicContact CG1-CG2 3.65Å; I52-I56 WeakPolarHBondContact CG1-O 3.46Å; I52-I56 PolarHBondContact N-O 2.98Å; E53-I56 HydrophobicContact CB-CB 4.04Å; E53-I56 HydrophobicContact CB-CG1 3.75Å; E53-I56 PolarHBondContact O-N 3.04Å; Q54-I56 PolarHBondContact O-N 2.8Å; I56-Y172 HydrophobicContact CG2-CE1 4.33Å; I56-Y172 HydrophobicContact CG2-CE2 3.96Å
57K93.4Very high89.9Confident76 Ų7642.1 Ų42.133%0.3323%0.23SC..EExtended strand (participates in β ladder)trans-99.7130177.3-175.1170.9-76.1173.90111.2L4 W5 Q6 D51L4-K57 WeakPolarHBondContact O-CD 3.4Å; W5-K57 CarbonylContact C-O 3.49Å; W5-K57 WeakPolarHBondContact CA-O 3.04Å; W5-K57 HydrophobicContact CB-CG 4.27Å; Q6-K57 PolarHBondContact N-O 2.74Å; D51-K57 WeakPolarHBondContact OD1-CB 3.27Å; D51-K57 WeakPolarHBondContact OD1-CE 3.26Å
58I94.7Very high88.5Confident0 Ų041.8 Ų41.80%022%0.22CC..EExtended strand (participates in β ladder)trans-116134.2177.5-67.6175000109.5Y7 F9 S49 L50 I52 L60 Y172Y7-I58 CarbonylContact O-C 3.51Å; Y7-I58 WeakPolarHBondContact O-CA 3.42Å; F9-I58 HydrophobicContact CD1-CG2 4.49Å; F9-I58 HydrophobicContact CD2-CD1 4.24Å; F9-I58 HydrophobicContact CD2-CG2 3.72Å; F9-I58 HydrophobicContact CE2-CD1 3.47Å; F9-I58 VanDerWaalsContact CE2-CD1 3.47Å; F9-I58 HydrophobicContact CE2-CG1 4.44Å; F9-I58 HydrophobicContact CE2-CG2 4Å; F9-I58 HydrophobicContact CG-CG2 3.99Å; F9-I58 HydrophobicContact CZ-CD1 3.68Å; F9-I58 HydrophobicContact CZ-CG1 4.47Å; F9-I58 HydrophobicContact CZ-CG2 4.45Å; S49-I58 CarbonylContact C-O 3.58Å; S49-I58 VanDerWaalsContact CA-O 3.23Å; S49-I58 WeakPolarHBondContact CA-O 3.37Å; L50-I58 PolarHBondContact N-O 2.86Å; L50-I58 PolarHBondContact O-N 3.45Å; I52-I58 HydrophobicContact CB-CD1 4.33Å; I52-I58 HydrophobicContact CD1-CD1 3.24Å; I52-I58 HydrophobicContact CD1-CG1 4.07Å; I52-I58 HydrophobicContact CG1-CD1 3.59Å; I52-I58 HydrophobicContact CG1-CG1 4.04Å; I52-I58 HydrophobicContact CG2-CD1 3.79Å; I58-L60 HydrophobicContact CG2-CD2 3.85Å; I58-Y172 HydrophobicContact CD1-CD2 4.4Å; I58-Y172 HydrophobicContact CD1-CG 4.47Å
59K96Very high86.9Confident58 Ų5843.4 Ų43.425%0.25223%0.23SC..EExtended strand (participates in β ladder)trans-91.5118.5169.4-177.9178.8177.8-172.90109.8W5 Y7 Q8 F9W5-K59 HydrophobicContact CB-CB 4.1Å; W5-K59 HydrophobicContact CD2-CB 3.91Å; W5-K59 HydrophobicContact CD2-CD 4.39Å; W5-K59 HydrophobicContact CE3-CB 4.41Å; W5-K59 HydrophobicContact CG-CB 3.74Å; W5-K59 HydrophobicContact CG-CD 4.47Å; W5-K59 HydrophobicContact CZ2-CD 4.44Å; Y7-K59 PolarHBondContact O-N 3.37Å; Q8-K59 CarbonylContact C-O 3.51Å; Q8-K59 WeakPolarHBondContact CA-O 3.35Å; Q8-K59 HydrophobicContact CB-CB 4.32Å; Q8-K59 HydrophobicContact CG-CB 4.28Å; Q8-K59 HydrophobicContact CG-CD 4.4Å; Q8-K59 HydrophobicContact CG-CG 4.32Å; Q8-K59 WeakPolarHBondContact CG-O 3.38Å; F9-K59 PolarHBondContact N-O 3.34Å
60L97Very high85.2Confident0 Ų048.9 Ų48.90%024%0.242CC..EExtended strand (participates in β ladder)trans-88.1133.5169.7-58.9-171.7000110.6F9 I11 F28 A47 R48 L50 I58 L62 F164F9-L60 HydrophobicContact CB-CD2 3.89Å; F9-L60 HydrophobicContact CD2-CD2 4.25Å; F9-L60 HydrophobicContact CG-CD2 4.49Å; I11-L60 HydrophobicContact CG1-CD2 4.08Å; F28-L60 HydrophobicContact CE1-CD1 4.09Å; F28-L60 HydrophobicContact CZ-CD1 4.15Å; A47-L60 WeakPolarHBondContact CA-O 3.42Å; R48-L60 PolarHBondContact N-O 3.35Å; R48-L60 VanDerWaalsContact N-O 3.14Å; R48-L60 WeakPolarHBondContact O-CB 3.47Å; R48-L60 PolarHBondContact O-N 2.78Å; L50-L60 HydrophobicContact CD2-CD1 3.25Å; L50-L60 HydrophobicContact CD2-CD2 4.16Å; L50-L60 HydrophobicContact CD2-CG 3.43Å; L50-L60 VanDerWaalsContact CD2-CG 3.43Å; I58-L60 HydrophobicContact CG2-CD2 3.85Å; L60-L62 HydrophobicContact CB-CD2 3.73Å; L60-L62 HydrophobicContact CB-CG 4.13Å; L60-L62 HydrophobicContact CD1-CD2 4Å; L60-F164 HydrophobicContact CD1-CB 4.31Å; L60-F164 HydrophobicContact CD1-CD1 4.26Å
61Q96.1Very high83.6Confident32 Ų3250.6 Ų50.615%0.1525%0.249CC..EExtended strand (participates in β ladder)trans-104.2117.5162.7-76.2-165.6-2600107.8Q8 F9 R10 I11 F45Q8-Q61 VanDerWaalsContact CD-CD 3.4Å; Q8-Q61 HydrophobicContact CG-CG 3.91Å; F9-Q61 PolarHBondContact O-N 3.09Å; R10-Q61 WeakPolarHBondContact CA-O 3.49Å; R10-Q61 HydrophobicContact CG-CB 4.34Å; I11-Q61 PolarHBondContact N-O 3.4Å; F45-Q61 HydrophobicContact CE2-CB 3.78Å; F45-Q61 HydrophobicContact CE2-CG 3.75Å; F45-Q61 HydrophobicContact CZ-CB 4.41Å; F45-Q61 HydrophobicContact CZ-CG 3.94Å
62L94.9Very high82.1Confident0 Ų049.4 Ų49.40%024%0.237CC..EExtended strand (participates in β ladder)trans-114124-168.8-52.8170.2000109.2I11 L25 F28 T29 F45 Y46 L60 F164I11-L62 HydrophobicContact CB-CD2 3.88Å; I11-L62 HydrophobicContact CG1-CD2 4.19Å; I11-L62 HydrophobicContact CG2-CD2 4.39Å; I11-L62 WeakPolarHBondContact O-CA 3.48Å; L25-L62 HydrophobicContact CD2-CB 3.59Å; L25-L62 HydrophobicContact CD2-CD1 3.56Å; L25-L62 HydrophobicContact CD2-CD2 4.36Å; L25-L62 HydrophobicContact CD2-CG 4.02Å; F28-L62 HydrophobicContact CD1-CD1 3.65Å; F28-L62 HydrophobicContact CE1-CD1 3.78Å; T29-L62 HydrophobicContact CG2-CD1 3.61Å; F45-L62 WeakPolarHBondContact CA-O 3.4Å; Y46-L62 PolarHBondContact N-O 3.45Å; Y46-L62 PolarHBondContact O-N 2.7Å; L60-L62 HydrophobicContact CB-CD2 3.73Å; L60-L62 HydrophobicContact CB-CG 4.13Å; L60-L62 HydrophobicContact CD1-CD2 4Å; L62-F164 HydrophobicContact CD1-CE1 4.5Å; L62-F164 HydrophobicContact CD2-CD1 4.07Å; L62-F164 HydrophobicContact CD2-CE1 3.91Å
63W92.3Very high80.6Confident33 Ų3353.9 Ų53.913%0.12527%0.269CS..EExtended strand (participates in β ladder)trans-107.5110.2179.8-62.388000109.6I11 I12 L13 V43 F45 Y78I11-W63 PolarHBondContact O-N 3.34Å; I12-W63 HydrophobicContact CB-CB 4.45Å; I12-W63 HydrophobicContact CG1-CB 4.09Å; L13-W63 PolarHBondContact N-O 3.47Å; V43-W63 HydrophobicContact CG1-CB 4.2Å; V43-W63 HydrophobicContact CG1-CD2 4.5Å; V43-W63 HydrophobicContact CG1-CE3 3.63Å; V43-W63 HydrophobicContact CG1-CZ3 4.45Å; F45-W63 HydrophobicContact CB-CE3 4.4Å; F45-W63 HydrophobicContact CB-CZ3 4.15Å; F45-W63 HydrophobicContact CD2-CD2 4.28Å; F45-W63 AromaticContact CD2-CE2 3.91Å; F45-W63 HydrophobicContact CD2-CE3 4.39Å; F45-W63 AromaticContact CD2-CH2 3.95Å; F45-W63 HydrophobicContact CD2-CH2 3.95Å; F45-W63 AromaticContact CD2-CZ2 3.74Å; F45-W63 HydrophobicContact CD2-CZ2 3.74Å; F45-W63 HydrophobicContact CD2-CZ3 4.23Å; F45-W63 HydrophobicContact CE2-CZ2 4.18Å; W63-Y78 AromaticContact CD2-CD1 3.73Å; W63-Y78 HydrophobicContact CD2-CD1 3.73Å; W63-Y78 HydrophobicContact CD2-CE1 4.13Å; W63-Y78 AromaticContact CE3-CD1 3.42Å; W63-Y78 HydrophobicContact CE3-CD1 3.42Å; W63-Y78 VanDerWaalsContact CE3-CD1 3.42Å; W63-Y78 AromaticContact CE3-CE1 3.37Å; W63-Y78 HydrophobicContact CE3-CE1 3.37Å; W63-Y78 HydrophobicContact CG-CD1 4.39Å; W63-Y78 HydrophobicContact CH2-CD1 4.24Å; W63-Y78 AromaticContact CH2-CE1 3.81Å; W63-Y78 HydrophobicContact CH2-CE1 3.81Å; W63-Y78 AromaticContact CZ3-CD1 3.71Å; W63-Y78 HydrophobicContact CZ3-CD1 3.71Å; W63-Y78 AromaticContact CZ3-CE1 3.19Å; W63-Y78 HydrophobicContact CZ3-CE1 3.19Å
64D89.6Confident79.4Confident0 Ų054.4 Ų54.40%027%0.273CS..EExtended strand (participates in β ladder)trans-82.4116.9170.7-168.628.8000108.8K21 S22 L25 T40 V43 D44 Y46K21-D64 VanDerWaalsContact CB-OD1 3.3Å; K21-D64 WeakPolarHBondContact CB-OD1 3.23Å; S22-D64 WeakPolarHBondContact CA-OD2 3.18Å; S22-D64 WeakPolarHBondContact CB-OD2 3.42Å; S22-D64 PolarHBondContact N-OD1 3.34Å; S22-D64 PolarHBondContact OG-OD2 3.25Å; L25-D64 HydrophobicContact CD1-CB 3.42Å; L25-D64 VanDerWaalsContact CD1-CB 3.42Å; T40-D64 PolarHBondContact OG1-OD2 3.28Å; V43-D64 CarbonylContact C-O 3.47Å; V43-D64 WeakPolarHBondContact CA-O 3.45Å; V43-D64 VanDerWaalsContact CG1-O 3.25Å; V43-D64 WeakPolarHBondContact CG1-O 3.28Å; D44-D64 HydrophobicContact CB-CB 4.12Å; D44-D64 PolarHBondContact N-O 2.95Å; D44-D64 PolarHBondContact O-N 2.86Å; Y46-D64 HydrophobicContact CE2-CB 4.31Å
65T82.5Confident78.5Confident0 Ų045.1 Ų45.10%023%0.23CC..EExtended strand (participates in β ladder)trans-99.1142.2-179.965.90000111.2I12 L13 K21 G67 T75I12-T65 HydrophobicContact CD1-CG2 3.56Å; I12-T65 HydrophobicContact CG1-CG2 3.53Å; L13-T65 WeakPolarHBondContact O-CG2 3.36Å; L13-T65 PolarHBondContact O-OG1 3.23Å; K21-T65 WeakPolarHBondContact CE-O 3.47Å; T65-G67 PolarHBondContact O-N 3.48Å; T65-T75 HydrophobicContact CG2-CG2 3.61Å
66A78.3Confident77.9Confident3 Ų344.2 Ų44.23%0.02521%0.211CC..PPolyproline II helixtrans-61.2122.7166.300000109.7T40 G42 Q68 F71T40-A66 WeakPolarHBondContact O-CB 3.37Å; G42-A66 VanDerWaalsContact O-CB 3.28Å; G42-A66 WeakPolarHBondContact O-CB 3.38Å; G42-A66 PolarHBondContact O-N 2.9Å; A66-Q68 PolarHBondContact O-N 3.41Å; A66-Q68 VanDerWaalsContact O-N 3.16Å; A66-F71 HydrophobicContact CB-CB 4.22Å; A66-F71 HydrophobicContact CB-CD2 3.61Å; A66-F71 HydrophobicContact CB-CE2 4.35Å; A66-F71 HydrophobicContact CB-CG 4.2Å
67G66.6Low77Confident8 Ų846.5 Ų46.58%0.08223%0.23CC..  trans-79.513.4179.400000114.7G15 D16 S17 T65G15-G67 VanDerWaalsContact O-CA 3.27Å; G15-G67 WeakPolarHBondContact O-CA 3.34Å; D16-G67 CarbonylContact C-O 3.57Å; S17-G67 PolarHBondContact N-O 3.18Å; T65-G67 PolarHBondContact O-N 3.48Å
68Q64.1Low76.3Confident44 Ų4445.6 Ų45.621%0.20622%0.224CC..SBendtrans-90.6132.6176.4-67.3-172.314.400110A66 R70 F71A66-Q68 PolarHBondContact O-N 3.41Å; A66-Q68 VanDerWaalsContact O-N 3.16Å; Q68-R70 PolarHBondContact O-N 3.36Å; Q68-F71 HydrophobicContact CB-CD2 3.95Å; Q68-F71 HydrophobicContact CB-CE2 4.32Å; Q68-F71 PolarHBondContact O-N 2.94Å
69E60.3Low75.8Confident114 Ų11445.6 Ų45.653%0.53322%0.224SC..G310 helixtrans-50.9-30.9176.465.8-65.1152.700113.4F71 R72E69-F71 PolarHBondContact O-N 3.06Å; E69-R72 WeakPolarHBondContact O-CB 3.24Å; E69-R72 WeakPolarHBondContact O-CG 3.43Å; E69-R72 PolarHBondContact O-N 2.96Å
70R57.9Low75.2Confident175 Ų17549.8 Ų49.866%0.6624%0.239SC*.G310 helixtrans-64.3-19177.5-63.7-173.4-67.1178.9-0114.3Q68Q68-R70 PolarHBondContact O-N 3.36Å
71F59.3Low74.8Confident50 Ų5051.3 Ų51.322%0.21925%0.247CC..G310 helixtrans-105.75.1-179.9-59.1-61.6000113.6A66 Q68 E69 S73 I74 T75A66-F71 HydrophobicContact CB-CB 4.22Å; A66-F71 HydrophobicContact CB-CD2 3.61Å; A66-F71 HydrophobicContact CB-CE2 4.35Å; A66-F71 HydrophobicContact CB-CG 4.2Å; Q68-F71 HydrophobicContact CB-CD2 3.95Å; Q68-F71 HydrophobicContact CB-CE2 4.32Å; Q68-F71 PolarHBondContact O-N 2.94Å; E69-F71 PolarHBondContact O-N 3.06Å; F71-S73 VanDerWaalsContact C-N 3.32Å; F71-S73 PolarHBondContact O-N 3.04Å; F71-I74 HydrophobicContact CD1-CD1 3.81Å; F71-I74 WeakPolarHBondContact O-CB 3.06Å; F71-I74 PolarHBondContact O-N 2.8Å; F71-T75 PolarHBondContact O-N 3.02Å; F71-T75 PolarHBondContact O-OG1 2.72Å
72R61.8Low74.6Confident73 Ų7349.9 Ų49.928%0.27524%0.24SC..Hα-helixtrans-55.9-41.8-179.6-78.2178.6-179.7-177.61113.1E69 I74 T75 W103 E106E69-R72 WeakPolarHBondContact O-CB 3.24Å; E69-R72 WeakPolarHBondContact O-CG 3.43Å; E69-R72 PolarHBondContact O-N 2.96Å; R72-I74 VanDerWaalsContact C-N 3.28Å; R72-I74 PolarHBondContact O-N 3.34Å; R72-T75 PolarHBondContact O-N 3.24Å; R72-W103 HydrophobicContact CG-CH2 4.5Å; R72-E106 WeakPolarHBondContact CB-OE1 3.34Å; R72-E106 WeakPolarHBondContact CD-OE1 3.43Å; R72-E106 VanDerWaalsContact CD-OE2 3.31Å; R72-E106 WeakPolarHBondContact CD-OE2 3.49Å; R72-E106 VanDerWaalsContact CG-OE1 3.31Å; R72-E106 WeakPolarHBondContact CG-OE1 3.5Å; R72-E106 IonicContact CZ-OE2 3.52Å; R72-E106 IonicContact NE-OE2 3.84Å; R72-E106 PolarHBondContact NE-OE2 3.48Å; R72-E106 IonicContact NH1-OE2 2.73Å
73S59.4Low74.7Confident100 Ų10049.9 Ų49.970%0.69924%0.24SC*.Hα-helixtrans-65.9-25177.557.70000114.5F71 T75F71-S73 VanDerWaalsContact C-N 3.32Å; F71-S73 PolarHBondContact O-N 3.04Å; S73-T75 VanDerWaalsContact C-N 3.26Å
74I61.6Low74.9Confident87 Ų8748.3 Ų48.345%0.44623%0.234SC..Hα-helixtrans-75.3-22175.4-56.7-176.4000110.5F71 R72F71-I74 HydrophobicContact CD1-CD1 3.81Å; F71-I74 WeakPolarHBondContact O-CB 3.06Å; F71-I74 PolarHBondContact O-N 2.8Å; R72-I74 VanDerWaalsContact C-N 3.28Å; R72-I74 PolarHBondContact O-N 3.34Å
75T67.9Low75.2Confident4 Ų448.3 Ų48.33%0.02523%0.234CC..Hα-helixtrans-89.7-15.2-166.3-430000113.2I12 T65 F71 R72 S73 S77 Y78 Y79I12-T75 HydrophobicContact CD1-CG2 4.23Å; T65-T75 HydrophobicContact CG2-CG2 3.61Å; F71-T75 PolarHBondContact O-N 3.02Å; F71-T75 PolarHBondContact O-OG1 2.72Å; R72-T75 PolarHBondContact O-N 3.24Å; S73-T75 VanDerWaalsContact C-N 3.26Å; T75-S77 VanDerWaalsContact C-N 3.33Å; T75-S77 PolarHBondContact O-N 2.93Å; T75-Y78 WeakPolarHBondContact O-CB 3.06Å; T75-Y78 PolarHBondContact O-N 3.05Å; T75-Y79 WeakPolarHBondContact CB-OH 3.19Å; T75-Y79 HydrophobicContact CG2-CD1 4.05Å; T75-Y79 HydrophobicContact CG2-CE1 3.22Å; T75-Y79 HydrophobicContact CG2-CE2 4.33Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.36Å; T75-Y79 PolarHBondContact O-N 2.8Å
76T71.2Confident75.9Confident47 Ų4748.3 Ų48.329%0.28823%0.234SC..Hα-helixtrans-57.8-38.3-174.2-46.20000114.2Y78 Y79 R80 H110T76-Y78 VanDerWaalsContact C-N 3.28Å; T76-Y78 PolarHBondContact O-N 2.82Å; T76-Y79 WeakPolarHBondContact O-CB 3.5Å; T76-Y79 PolarHBondContact O-N 2.89Å; T76-R80 PolarHBondContact O-N 3.45Å; T76-H110 HydrophobicContact CG2-CB 3.98Å; T76-H110 WeakPolarHBondContact CG2-CD2 3.41Å
77S71.4Confident76.8Confident72 Ų7248.2 Ų48.250%0.50323%0.234SC..Hα-helixtrans-68.7-26.8177.563.20000113T75T75-S77 VanDerWaalsContact C-N 3.33Å; T75-S77 PolarHBondContact O-N 2.93Å
78Y79.1Confident78.3Confident57 Ų5748 Ų4822%0.22423%0.23CC..Hα-helixtrans-77.1-32.9176.5-60.7-80.4000111.8V43 W63 T75 T76 S82V43-Y78 HydrophobicContact CB-CE2 4.17Å; V43-Y78 HydrophobicContact CG1-CD1 4.26Å; V43-Y78 HydrophobicContact CG1-CE1 4.19Å; V43-Y78 HydrophobicContact CG1-CE2 4.48Å; V43-Y78 HydrophobicContact CG1-CG 4.47Å; V43-Y78 HydrophobicContact CG2-CD2 3.94Å; V43-Y78 HydrophobicContact CG2-CE2 3.66Å; W63-Y78 AromaticContact CD2-CD1 3.73Å; W63-Y78 HydrophobicContact CD2-CD1 3.73Å; W63-Y78 HydrophobicContact CD2-CE1 4.13Å; W63-Y78 AromaticContact CE3-CD1 3.42Å; W63-Y78 HydrophobicContact CE3-CD1 3.42Å; W63-Y78 VanDerWaalsContact CE3-CD1 3.42Å; W63-Y78 AromaticContact CE3-CE1 3.37Å; W63-Y78 HydrophobicContact CE3-CE1 3.37Å; W63-Y78 HydrophobicContact CG-CD1 4.39Å; W63-Y78 HydrophobicContact CH2-CD1 4.24Å; W63-Y78 AromaticContact CH2-CE1 3.81Å; W63-Y78 HydrophobicContact CH2-CE1 3.81Å; W63-Y78 AromaticContact CZ3-CD1 3.71Å; W63-Y78 HydrophobicContact CZ3-CD1 3.71Å; W63-Y78 AromaticContact CZ3-CE1 3.19Å; W63-Y78 HydrophobicContact CZ3-CE1 3.19Å; T75-Y78 WeakPolarHBondContact O-CB 3.06Å; T75-Y78 PolarHBondContact O-N 3.05Å; T76-Y78 VanDerWaalsContact C-N 3.28Å; T76-Y78 PolarHBondContact O-N 2.82Å; Y78-S82 PolarHBondContact O-N 3.43Å; Y78-S82 PolarHBondContact O-OG 3.2Å
79Y83.9Confident79.9Confident0 Ų045.9 Ų45.90%022%0.22CC..Hα-helixtrans-59.9-56.1173.8-58.4-25000111.6I12 L14 T75 T76 N81 S82 E106 V107 H110 I111I12-Y79 HydrophobicContact CD1-CD1 3.54Å; I12-Y79 HydrophobicContact CD1-CE1 3.7Å; L14-Y79 HydrophobicContact CD2-CD1 4.26Å; L14-Y79 HydrophobicContact CD2-CE1 3.55Å; T75-Y79 WeakPolarHBondContact CB-OH 3.19Å; T75-Y79 HydrophobicContact CG2-CD1 4.05Å; T75-Y79 HydrophobicContact CG2-CE1 3.22Å; T75-Y79 HydrophobicContact CG2-CE2 4.33Å; T75-Y79 WeakPolarHBondContact CG2-OH 3.36Å; T75-Y79 PolarHBondContact O-N 2.8Å; T76-Y79 WeakPolarHBondContact O-CB 3.5Å; T76-Y79 PolarHBondContact O-N 2.89Å; Y79-N81 PolarHBondContact O-N 3.29Å; Y79-S82 PolarHBondContact O-N 2.91Å; Y79-E106 HydrophobicContact CE2-CG 4.3Å; Y79-V107 HydrophobicContact CD1-CG1 4.26Å; Y79-V107 HydrophobicContact CD1-CG2 3.69Å; Y79-V107 HydrophobicContact CD2-CG2 4.17Å; Y79-V107 HydrophobicContact CE1-CG2 3.67Å; Y79-V107 HydrophobicContact CE2-CG2 4.16Å; Y79-V107 HydrophobicContact CG-CB 4.46Å; Y79-V107 HydrophobicContact CG-CG1 4.15Å; Y79-V107 HydrophobicContact CG-CG2 3.97Å; Y79-H110 HydrophobicContact CD2-CB 4.19Å; Y79-I111 VanDerWaalsContact O-CG2 3.29Å; Y79-I111 WeakPolarHBondContact O-CG2 3.16Å
80R83.9Confident81.8Confident147 Ų14740.7 Ų40.756%0.55520%0.196SC*.Hα-helixtrans-53.3-35.8-174.4179.6178.2-75.1169.5-3.7113T76 W186T76-R80 PolarHBondContact O-N 3.45Å; R80-W186 VanDerWaalsContact O-CD1 3.26Å; R80-W186 PolarHBondContact O-NE1 3.08Å
81N88.4Confident83.7Confident31 Ų3132.4 Ų32.417%0.16617%0.165CC..THydrogen-bonded Turntrans-94.55.9-175.1-79.7-33.7000113.7R10 Y79 D187 G188R10-N81 WeakPolarHBondContact CB-O 2.84Å; R10-N81 WeakPolarHBondContact CD-O 3.44Å; Y79-N81 PolarHBondContact O-N 3.29Å; N81-D187 HydrophobicContact CB-CB 4.02Å; N81-D187 CarbonylContact O-C 3.53Å; N81-D187 PolarHBondContact OD1-N 3.43Å; N81-G188 WeakPolarHBondContact O-CA 3.28Å; N81-G188 PolarHBondContact O-N 3.2Å; N81-G188 VanDerWaalsContact O-N 3.08Å
82S93.1Very high85.6Confident2 Ų231.6 Ų31.61%0.01416%0.164CC..  trans-98.3137.6179.9-63.30000111.2R10 Y78 Y79R10-S82 WeakPolarHBondContact O-CA 3.45Å; Y78-S82 PolarHBondContact O-N 3.43Å; Y78-S82 PolarHBondContact O-OG 3.2Å; Y79-S82 PolarHBondContact O-N 2.91Å
83V95.5Very high87.3Confident0 Ų031.1 Ų31.10%017%0.167CC..SBendtrans-96.9-24.2173.666.20000111.9F9 R10 I11 M116 V117 I171 I180 W186 G188 V189F9-V83 HydrophobicContact CB-CG1 3.85Å; F9-V83 HydrophobicContact CD1-CG1 4.47Å; F9-V83 HydrophobicContact CG-CG1 4.23Å; R10-V83 PolarHBondContact O-N 3.39Å; I11-V83 HydrophobicContact CD1-CG1 4.43Å; V83-M116 WeakPolarHBondContact O-CA 2.84Å; V83-V117 PolarHBondContact O-N 2.91Å; V83-I171 HydrophobicContact CG1-CD1 4.04Å; V83-I171 HydrophobicContact CG1-CG2 4.21Å; V83-I171 HydrophobicContact CG2-CG1 4.44Å; V83-I171 HydrophobicContact CG2-CG2 3.77Å; V83-I180 HydrophobicContact CG2-CD1 3.96Å; V83-I180 HydrophobicContact CG2-CG2 3.99Å; V83-W186 HydrophobicContact CB-CH2 4.02Å; V83-W186 HydrophobicContact CB-CZ2 4.15Å; V83-W186 HydrophobicContact CG2-CH2 3.87Å; V83-W186 HydrophobicContact CG2-CZ2 4.42Å; V83-G188 WeakPolarHBondContact CB-O 3.16Å; V83-G188 WeakPolarHBondContact CG1-O 3.28Å; V83-V189 HydrophobicContact CB-CG2 3.89Å; V83-V189 HydrophobicContact CG1-CG2 4.02Å; V83-V189 HydrophobicContact CG2-CG2 3.64Å
84G96.6Very high89.2Confident0 Ų031 Ų310%015%0.152CC..EExtended strand (participates in β ladder)trans-130.1148.2179.700000113.1R10 I11 I12 V117R10-G84 PolarHBondContact O-N 2.88Å; I11-G84 VanDerWaalsContact CA-O 3.3Å; I11-G84 WeakPolarHBondContact CA-O 3.34Å; I12-G84 PolarHBondContact N-O 3.36Å; G84-V117 CarbonylContact C-O 3.52Å; G84-V117 VanDerWaalsContact CA-O 3.24Å; G84-V117 WeakPolarHBondContact CA-O 3.42Å
85G95.8Very high90.9Very high0 Ų033.1 Ų33.10%016%0.158CC..EExtended strand (participates in β ladder)trans-133.3134.6179.300000112.3I12 V117 Y118 I119I12-G85 CarbonylContact O-C 3.55Å; I12-G85 WeakPolarHBondContact O-CA 3.35Å; G85-V117 PolarHBondContact N-O 2.96Å; G85-Y118 VanDerWaalsContact O-CA 3.28Å; G85-Y118 WeakPolarHBondContact O-CA 3.29Å; G85-I119 PolarHBondContact O-N 3.47Å
86L97.6Very high92.3Very high0 Ų033.1 Ų33.10%016%0.158CC..EExtended strand (participates in β ladder)trans-103.7114.9166.3-63.1179.1000108.8I11 I12 L13 L14 V88 I119 I121 F164 L167I11-L86 HydrophobicContact CG2-CG 4.46Å; I12-L86 PolarHBondContact O-N 3.16Å; L13-L86 HydrophobicContact CD1-CD1 4.11Å; L13-L86 HydrophobicContact CG-CB 4.13Å; L13-L86 HydrophobicContact CG-CD1 4.12Å; L14-L86 PolarHBondContact N-O 3.21Å; L86-V88 HydrophobicContact CB-CG2 4.19Å; L86-I119 HydrophobicContact CD2-CB 4.01Å; L86-I121 HydrophobicContact CB-CG1 4.3Å; L86-I121 HydrophobicContact CD2-CD1 4.26Å; L86-I121 HydrophobicContact CD2-CG1 4.14Å; L86-F164 HydrophobicContact CD1-CD1 3.98Å; L86-F164 HydrophobicContact CD1-CE1 3.44Å; L86-F164 VanDerWaalsContact CD1-CE1 3.44Å; L86-F164 HydrophobicContact CD1-CE2 4.28Å; L86-F164 HydrophobicContact CD1-CZ 3.6Å; L86-L167 HydrophobicContact CD2-CD2 3.75Å; L86-L167 HydrophobicContact CG-CD2 4.08Å
87L97.4Very high93.6Very high2 Ų231.7 Ų31.71%0.0115%0.147CC..EExtended strand (participates in β ladder)trans-89103.1174.7-67.7165.9000108.2L14 V100 W103 H104 Y118 I119 L120 I121 M145 I147L14-L87 HydrophobicContact CB-CD2 4.02Å; L14-L87 HydrophobicContact CD1-CD2 3.92Å; L87-V100 HydrophobicContact CB-CG1 4.36Å; L87-V100 HydrophobicContact CD1-CG1 4.34Å; L87-W103 HydrophobicContact CD2-CB 4.08Å; L87-H104 HydrophobicContact CD1-CB 4.07Å; L87-H104 HydrophobicContact CD2-CB 4.27Å; L87-Y118 HydrophobicContact CD1-CD1 4.03Å; L87-Y118 HydrophobicContact CD1-CG 4.36Å; L87-Y118 HydrophobicContact CG-CD1 4.02Å; L87-I119 PolarHBondContact N-O 3.37Å; L87-L120 HydrophobicContact CB-CD1 4.11Å; L87-I121 PolarHBondContact O-N 2.81Å; L87-M145 HydrophobicContact CD1-CE 3.71Å; L87-I147 HydrophobicContact CD1-CD1 3.99Å
88V98.3Very high94.8Very high2 Ų232.3 Ų32.31%0.01215%0.145CC..EExtended strand (participates in β ladder)trans-104.7127.2-171.2-168.30000110.6L14 G15 V19 K21 L24 L86 I121 H123L14-V88 PolarHBondContact O-N 3.39Å; G15-V88 WeakPolarHBondContact CA-O 3.48Å; V19-V88 HydrophobicContact CB-CG1 4.39Å; V19-V88 HydrophobicContact CG2-CB 4.07Å; V19-V88 HydrophobicContact CG2-CG1 3.91Å; K21-V88 HydrophobicContact CG-CB 4.14Å; K21-V88 HydrophobicContact CG-CG2 4.21Å; L24-V88 HydrophobicContact CD2-CG2 4.4Å; L86-V88 HydrophobicContact CB-CG2 4.19Å; V88-I121 HydrophobicContact CB-CB 4.48Å; V88-I121 HydrophobicContact CG1-CB 4.39Å; V88-I121 HydrophobicContact CG1-CG2 4.24Å; V88-I121 HydrophobicContact CG2-CB 4.19Å; V88-I121 HydrophobicContact CG2-CG1 4.47Å; V88-H123 HydrophobicContact CG1-CB 3.83Å
89F98.6Very high95.6Very high0 Ų031.6 Ų31.60%014%0.144CC..EExtended strand (participates in β ladder)trans-127.5162.4168.872.8-87.5000110.7L91 T96 F97 V100 L120 I121 H123 V133 A138 Y149F89-L91 HydrophobicContact CE2-CD2 3.81Å; F89-L91 HydrophobicContact CE2-CG 4.42Å; F89-L91 HydrophobicContact CZ-CD2 4.13Å; F89-T96 WeakPolarHBondContact CB-O 3.29Å; F89-F97 HydrophobicContact CB-CB 4.42Å; F89-F97 AromaticContact CD1-CD2 3.99Å; F89-F97 HydrophobicContact CD1-CD2 3.99Å; F89-F97 HydrophobicContact CD2-CB 3.71Å; F89-F97 AromaticContact CD2-CD2 3.86Å; F89-F97 HydrophobicContact CD2-CD2 3.86Å; F89-F97 HydrophobicContact CD2-CG 4.25Å; F89-F97 AromaticContact CE1-CD2 3.77Å; F89-F97 HydrophobicContact CE1-CD2 3.77Å; F89-F97 HydrophobicContact CE1-CE2 4.2Å; F89-F97 HydrophobicContact CE2-CB 4.11Å; F89-F97 AromaticContact CE2-CD2 3.61Å; F89-F97 HydrophobicContact CE2-CD2 3.61Å; F89-F97 HydrophobicContact CE2-CE2 4.43Å; F89-F97 HydrophobicContact CE2-CG 4.22Å; F89-F97 HydrophobicContact CG-CB 4.11Å; F89-F97 HydrophobicContact CG-CD2 4.02Å; F89-F97 AromaticContact CZ-CD2 3.57Å; F89-F97 HydrophobicContact CZ-CD2 3.57Å; F89-F97 HydrophobicContact CZ-CE2 4.01Å; F89-V100 HydrophobicContact CB-CG2 3.95Å; F89-V100 HydrophobicContact CD1-CG2 4.05Å; F89-V100 HydrophobicContact CG-CG2 4.3Å; F89-L120 HydrophobicContact CD1-CD1 3.77Å; F89-L120 HydrophobicContact CD1-CG 4.3Å; F89-L120 HydrophobicContact CE1-CD1 3.83Å; F89-L120 HydrophobicContact CE1-CD2 4.12Å; F89-L120 HydrophobicContact CE1-CG 3.86Å; F89-I121 WeakPolarHBondContact CD1-O 3.42Å; F89-I121 PolarHBondContact N-O 2.81Å; F89-H123 WeakPolarHBondContact O-CB 3.4Å; F89-H123 PolarHBondContact O-N 2.88Å; F89-V133 HydrophobicContact CE2-CB 3.94Å; F89-V133 HydrophobicContact CE2-CG1 3.75Å; F89-V133 HydrophobicContact CE2-CG2 4.13Å; F89-V133 HydrophobicContact CZ-CG1 4.16Å; F89-A138 HydrophobicContact CE1-CB 4.49Å; F89-A138 HydrophobicContact CZ-CB 3.88Å; F89-Y149 AromaticContact CE1-CE2 3.85Å; F89-Y149 HydrophobicContact CE1-CE2 3.85Å; F89-Y149 AromaticContact CZ-CE2 3.92Å; F89-Y149 HydrophobicContact CZ-CE2 3.92Å
90D98.4Very high96.2Very high5 Ų531.8 Ų31.83%0.02715%0.145CC..EExtended strand (participates in β ladder)trans-95.5120.9178.4-178.1-14000110.2V19 T92 N93 T96 K124V19-D90 HydrophobicContact CB-CB 4.38Å; V19-D90 HydrophobicContact CG1-CB 4.32Å; D90-T92 PolarHBondContact O-N 3.5Å; D90-T92 VanDerWaalsContact O-N 3.07Å; D90-T92 WeakPolarHBondContact OD1-CB 3.13Å; D90-T92 PolarHBondContact OD1-N 2.69Å; D90-T92 PolarHBondContact OD1-OG1 2.98Å; D90-T92 PolarHBondContact OD2-OG1 2.82Å; D90-N93 HydrophobicContact CB-CB 4.08Å; D90-N93 CarbonylContact O-C 3.56Å; D90-N93 PolarHBondContact O-N 2.92Å; D90-T96 PolarHBondContact N-OG1 3.47Å; D90-T96 PolarHBondContact O-OG1 3.37Å; D90-K124 WeakPolarHBondContact OD2-CD 3.41Å; D90-K124 VanDerWaalsContact OD2-CE 3.25Å; D90-K124 WeakPolarHBondContact OD2-CE 3.47Å; D90-K124 IonicContact OD2-NZ 3.35Å; D90-K124 PolarHBondContact OD2-NZ 3.04Å
91L98.8Very high96.7Very high2 Ų230.4 Ų30.41%0.0114%0.14CC..THydrogen-bonded Turntrans-59.1-21.5179.2-74.3168.2000113.2F89 H123 K132 V133 E151F89-L91 HydrophobicContact CE2-CD2 3.81Å; F89-L91 HydrophobicContact CE2-CG 4.42Å; F89-L91 HydrophobicContact CZ-CD2 4.13Å; L91-H123 WeakPolarHBondContact CB-O 3.4Å; L91-H123 WeakPolarHBondContact CD1-O 3.09Å; L91-H123 VanDerWaalsContact CG-O 3.3Å; L91-H123 WeakPolarHBondContact CG-O 3.3Å; L91-H123 PolarHBondContact N-O 3.26Å; L91-K132 PolarHBondContact O-N 3.46Å; L91-V133 HydrophobicContact CD2-CB 4.34Å; L91-V133 PolarHBondContact O-N 3.29Å; L91-V133 VanDerWaalsContact O-N 3.15Å; L91-E151 HydrophobicContact CD1-CG 4.08Å
92T98.6Very high96.9Very high32 Ų3233.8 Ų33.820%0.19615%0.154CC..THydrogen-bonded Turntrans-92.7-5.3178.771.10000113.6D90 L127 D130 K132D90-T92 PolarHBondContact O-N 3.5Å; D90-T92 VanDerWaalsContact O-N 3.07Å; D90-T92 WeakPolarHBondContact OD1-CB 3.13Å; D90-T92 PolarHBondContact OD1-N 2.69Å; D90-T92 PolarHBondContact OD1-OG1 2.98Å; D90-T92 PolarHBondContact OD2-OG1 2.82Å; T92-L127 HydrophobicContact CG2-CB 3.52Å; T92-L127 HydrophobicContact CG2-CD1 3.92Å; T92-L127 HydrophobicContact CG2-CG 4.37Å; T92-D130 WeakPolarHBondContact CA-O 3.49Å; T92-D130 HydrophobicContact CG2-CB 3.88Å; T92-K132 WeakPolarHBondContact O-CG 3.34Å
93N98.1Very high96.9Very high63 Ų6333.8 Ų33.834%0.33715%0.154SC..  trans-132.595.4-177.2-173.1-10.6000111.7D90 K95 T96D90-N93 HydrophobicContact CB-CB 4.08Å; D90-N93 CarbonylContact O-C 3.56Å; D90-N93 PolarHBondContact O-N 2.92Å; N93-K95 VanDerWaalsContact C-N 3.26Å; N93-K95 PolarHBondContact O-N 2.9Å; N93-K95 PolarHBondContact OD1-N 3.22Å; N93-T96 HydrophobicContact CB-CG2 4.05Å; N93-T96 PolarHBondContact O-N 2.64Å; N93-T96 PolarHBondContact O-OG1 3.21Å
94R98.1Very high96.7Very high99 Ų9936.2 Ų36.237%0.37417%0.165SC..Hα-helixtrans-51.7-40.1-178.3178.153.9173.2-122.517.9113.8T96 F97 D98 K132 E137R94-T96 PolarHBondContact O-N 2.98Å; R94-T96 VanDerWaalsContact O-N 3.16Å; R94-F97 WeakPolarHBondContact O-CA 3.33Å; R94-F97 VanDerWaalsContact O-CB 3.31Å; R94-F97 WeakPolarHBondContact O-CB 3.29Å; R94-F97 PolarHBondContact O-N 3.42Å; R94-D98 IonicContact CZ-OD1 3.33Å; R94-D98 IonicContact NE-OD1 2.99Å; R94-D98 PolarHBondContact NE-OD1 3.39Å; R94-D98 IonicContact NE-OD2 2.72Å; R94-D98 IonicContact NH2-OD1 3.02Å; R94-D98 PolarHBondContact O-N 3.19Å; R94-D98 VanDerWaalsContact O-N 3.08Å; R94-K132 HydrophobicContact CB-CB 4.22Å; R94-E137 IonicContact CZ-OE2 3.34Å; R94-E137 IonicContact NH1-OE1 2.7Å; R94-E137 PolarHBondContact NH1-OE1 3.21Å; R94-E137 IonicContact NH1-OE2 3.93Å; R94-E137 PolarHBondContact NH1-OE2 3.37Å; R94-E137 IonicContact NH2-OE2 3.67Å; R94-E137 PolarHBondContact NH2-OE2 3.44Å
95K97.6Very high96.3Very high131 Ų13142.3 Ų42.357%0.5719%0.192SC*.Hα-helixtrans-56.5-37.7-178.7-176.7174.1175177.50112.2N93 F97 D98 H99N93-K95 VanDerWaalsContact C-N 3.26Å; N93-K95 PolarHBondContact O-N 2.9Å; N93-K95 PolarHBondContact OD1-N 3.22Å; K95-F97 VanDerWaalsContact C-N 3.28Å; K95-F97 PolarHBondContact O-N 2.81Å; K95-D98 PolarHBondContact O-N 3.08Å; K95-H99 WeakPolarHBondContact CE-CE1 3.16Å; K95-H99 VanDerWaalsContact O-CG 3.28Å; K95-H99 PolarHBondContact O-N 2.99Å; K95-H99 PolarHBondContact O-ND1 2.73Å
96T97.8Very high95.9Very high4 Ų443.7 Ų43.73%0.02520%0.198CC..Hα-helixtrans-69.3-27.4179.769.70000112.7D16 V19 F89 D90 N93 R94D16-T96 HydrophobicContact CB-CG2 3.89Å; V19-T96 HydrophobicContact CG1-CG2 3.7Å; F89-T96 WeakPolarHBondContact CB-O 3.29Å; D90-T96 PolarHBondContact N-OG1 3.47Å; D90-T96 PolarHBondContact O-OG1 3.37Å; N93-T96 HydrophobicContact CB-CG2 4.05Å; N93-T96 PolarHBondContact O-N 2.64Å; N93-T96 PolarHBondContact O-OG1 3.21Å; R94-T96 PolarHBondContact O-N 2.98Å; R94-T96 VanDerWaalsContact O-N 3.16Å
97F98.6Very high95.3Very high16 Ų1643.7 Ų43.77%0.0720%0.198CC..Hα-helixtrans-74-43.5173175-105.8000111.3F89 R94 K95 H99 V100 V133 E137 A138 L141F89-F97 HydrophobicContact CB-CB 4.42Å; F89-F97 AromaticContact CD1-CD2 3.99Å; F89-F97 HydrophobicContact CD1-CD2 3.99Å; F89-F97 HydrophobicContact CD2-CB 3.71Å; F89-F97 AromaticContact CD2-CD2 3.86Å; F89-F97 HydrophobicContact CD2-CD2 3.86Å; F89-F97 HydrophobicContact CD2-CG 4.25Å; F89-F97 AromaticContact CE1-CD2 3.77Å; F89-F97 HydrophobicContact CE1-CD2 3.77Å; F89-F97 HydrophobicContact CE1-CE2 4.2Å; F89-F97 HydrophobicContact CE2-CB 4.11Å; F89-F97 AromaticContact CE2-CD2 3.61Å; F89-F97 HydrophobicContact CE2-CD2 3.61Å; F89-F97 HydrophobicContact CE2-CE2 4.43Å; F89-F97 HydrophobicContact CE2-CG 4.22Å; F89-F97 HydrophobicContact CG-CB 4.11Å; F89-F97 HydrophobicContact CG-CD2 4.02Å; F89-F97 AromaticContact CZ-CD2 3.57Å; F89-F97 HydrophobicContact CZ-CD2 3.57Å; F89-F97 HydrophobicContact CZ-CE2 4.01Å; R94-F97 WeakPolarHBondContact O-CA 3.33Å; R94-F97 VanDerWaalsContact O-CB 3.31Å; R94-F97 WeakPolarHBondContact O-CB 3.29Å; R94-F97 PolarHBondContact O-N 3.42Å; K95-F97 VanDerWaalsContact C-N 3.28Å; K95-F97 PolarHBondContact O-N 2.81Å; F97-H99 PolarHBondContact O-N 3.14Å; F97-V100 VanDerWaalsContact O-CB 3.28Å; F97-V100 WeakPolarHBondContact O-CB 3.33Å; F97-V100 VanDerWaalsContact O-CG2 3.29Å; F97-V100 WeakPolarHBondContact O-CG2 3.34Å; F97-V100 PolarHBondContact O-N 2.82Å; F97-V133 HydrophobicContact CB-CG1 4.46Å; F97-V133 HydrophobicContact CB-CG2 3.78Å; F97-V133 HydrophobicContact CD1-CG1 4.14Å; F97-V133 HydrophobicContact CD1-CG2 4.4Å; F97-V133 HydrophobicContact CD2-CG1 3.89Å; F97-V133 HydrophobicContact CE1-CG1 4.3Å; F97-V133 HydrophobicContact CE2-CG1 4.06Å; F97-V133 HydrophobicContact CG-CG1 3.91Å; F97-V133 HydrophobicContact CG-CG2 4.07Å; F97-V133 HydrophobicContact CZ-CG1 4.25Å; F97-E137 HydrophobicContact CE1-CG 4.29Å; F97-E137 HydrophobicContact CZ-CG 4.19Å; F97-A138 HydrophobicContact CE2-CB 4.02Å; F97-L141 HydrophobicContact CD2-CD2 4.02Å; F97-L141 HydrophobicContact CE1-CD2 4.38Å; F97-L141 HydrophobicContact CE2-CB 4.11Å; F97-L141 HydrophobicContact CE2-CD2 3.34Å; F97-L141 HydrophobicContact CE2-CG 4.34Å; F97-L141 HydrophobicContact CZ-CB 3.83Å; F97-L141 HydrophobicContact CZ-CD2 3.56Å; F97-L141 HydrophobicContact CZ-CG 4.32Å
98D97.4Very high94.8Very high86 Ų8645.4 Ų45.446%0.4621%0.21SC..Hα-helixtrans-61.9-31.6179.7-58.1-31000111.6R94 K95 V100R94-D98 IonicContact CZ-OD1 3.33Å; R94-D98 IonicContact NE-OD1 2.99Å; R94-D98 PolarHBondContact NE-OD1 3.39Å; R94-D98 IonicContact NE-OD2 2.72Å; R94-D98 IonicContact NH2-OD1 3.02Å; R94-D98 PolarHBondContact O-N 3.19Å; R94-D98 VanDerWaalsContact O-N 3.08Å; K95-D98 PolarHBondContact O-N 3.08Å; D98-V100 PolarHBondContact O-N 3.04Å
99H95.9Very high94.2Very high42 Ų4250.8 Ų50.819%0.19424%0.236CC..THydrogen-bonded Turntrans-78.4-7.8176.4-62.1166.7000115.3D16 K95 F97 R101 E102 W103D16-H99 IonicContact OD1-CG 3.34Å; D16-H99 IonicContact OD1-ND1 3.31Å; D16-H99 PolarHBondContact OD1-ND1 3.1Å; D16-H99 IonicContact OD2-CE1 3.73Å; D16-H99 IonicContact OD2-CG 2.73Å; D16-H99 IonicContact OD2-ND1 2.79Å; D16-H99 PolarHBondContact OD2-ND1 2.6Å; K95-H99 WeakPolarHBondContact CE-CE1 3.16Å; K95-H99 VanDerWaalsContact O-CG 3.28Å; K95-H99 PolarHBondContact O-N 2.99Å; K95-H99 PolarHBondContact O-ND1 2.73Å; F97-H99 PolarHBondContact O-N 3.14Å; H99-R101 PolarHBondContact O-N 3.45Å; H99-E102 WeakPolarHBondContact O-CB 3.3Å; H99-E102 PolarHBondContact O-N 3.49Å; H99-W103 PolarHBondContact O-N 3.44Å; H99-W103 VanDerWaalsContact O-N 3.12Å
100V96.3Very high93.4Very high4 Ų454.3 Ų54.32%0.02425%0.252CS..Hα-helixtrans-55.1-41-177.71650000111.8L87 F89 F97 D98 E102 W103 H104 L120 L141 M145L87-V100 HydrophobicContact CB-CG1 4.36Å; L87-V100 HydrophobicContact CD1-CG1 4.34Å; F89-V100 HydrophobicContact CB-CG2 3.95Å; F89-V100 HydrophobicContact CD1-CG2 4.05Å; F89-V100 HydrophobicContact CG-CG2 4.3Å; F97-V100 VanDerWaalsContact O-CB 3.28Å; F97-V100 WeakPolarHBondContact O-CB 3.33Å; F97-V100 VanDerWaalsContact O-CG2 3.29Å; F97-V100 WeakPolarHBondContact O-CG2 3.34Å; F97-V100 PolarHBondContact O-N 2.82Å; D98-V100 PolarHBondContact O-N 3.04Å; V100-E102 VanDerWaalsContact C-N 3.31Å; V100-E102 PolarHBondContact O-N 3.44Å; V100-W103 PolarHBondContact O-N 2.96Å; V100-H104 PolarHBondContact O-N 3.38Å; V100-L120 HydrophobicContact CB-CD1 4.48Å; V100-L120 HydrophobicContact CG1-CD1 3.62Å; V100-L120 HydrophobicContact CG2-CD1 4.03Å; V100-L141 HydrophobicContact CB-CD2 4.16Å; V100-L141 HydrophobicContact CG1-CD2 3.99Å; V100-M145 HydrophobicContact CG1-SD 4.25Å
101R94.6Very high92.6Very high118 Ų11854.5 Ų54.545%0.44525%0.253SS..Hα-helixtrans-66.4-34.7179.4-67.6-171.1-173.3-92.76.4112.5H99 H104 K105 L141 E144H99-R101 PolarHBondContact O-N 3.45Å; R101-H104 PolarHBondContact O-N 2.77Å; R101-K105 VanDerWaalsContact O-CB 3.25Å; R101-K105 WeakPolarHBondContact O-CB 3.15Å; R101-K105 PolarHBondContact O-N 3.45Å; R101-L141 HydrophobicContact CG-CD1 4.08Å; R101-E144 IonicContact CZ-OE2 3.85Å; R101-E144 IonicContact NH2-OE2 3.45Å; R101-E144 PolarHBondContact NH2-OE2 2.98Å
102E92.4Very high91.6Very high101 Ų10160.1 Ų60.147%0.47228%0.282SS..Hα-helixtrans-65.9-46.1176.7-60.2-176.8179.800110.4H99 V100 H104 K105 E106H99-E102 WeakPolarHBondContact O-CB 3.3Å; H99-E102 PolarHBondContact O-N 3.49Å; V100-E102 VanDerWaalsContact C-N 3.31Å; V100-E102 PolarHBondContact O-N 3.44Å; E102-H104 PolarHBondContact O-N 3.14Å; E102-K105 PolarHBondContact O-N 2.87Å; E102-E106 WeakPolarHBondContact O-CB 3.46Å; E102-E106 PolarHBondContact O-N 2.98Å
103W91.8Very high90.4Very high3 Ų363.1 Ų63.11%0.01130%0.302CS..Hα-helixtrans-59-45.2174.6-78.8108.3000112.5L14 G15 D16 R72 L87 H99 V100 V107L14-W103 HydrophobicContact CB-CE3 4.47Å; L14-W103 HydrophobicContact CD2-CE3 4.42Å; G15-W103 VanDerWaalsContact C-CE2 3.42Å; G15-W103 VanDerWaalsContact C-NE1 3.34Å; G15-W103 WeakPolarHBondContact O-CZ2 3.36Å; D16-W103 PolarHBondContact OD1-NE1 3.02Å; R72-W103 HydrophobicContact CG-CH2 4.5Å; L87-W103 HydrophobicContact CD2-CB 4.08Å; H99-W103 PolarHBondContact O-N 3.44Å; H99-W103 VanDerWaalsContact O-N 3.12Å; V100-W103 PolarHBondContact O-N 2.96Å; W103-V107 WeakPolarHBondContact O-CG2 2.86Å; W103-V107 PolarHBondContact O-N 3.38Å
104H91.8Very high89.5Confident51 Ų5161.5 Ų61.524%0.23629%0.292CS..Hα-helixtrans-62.7-45.7177175.6-95.6000112.1L87 V100 R101 E102 V107 S108 Y118 M145L87-H104 HydrophobicContact CD1-CB 4.07Å; L87-H104 HydrophobicContact CD2-CB 4.27Å; V100-H104 PolarHBondContact O-N 3.38Å; R101-H104 PolarHBondContact O-N 2.77Å; E102-H104 PolarHBondContact O-N 3.14Å; H104-V107 PolarHBondContact O-N 2.97Å; H104-S108 PolarHBondContact CE1-OG 3.43Å; H104-S108 WeakPolarHBondContact O-CB 3.41Å; H104-S108 PolarHBondContact O-N 2.85Å; H104-S108 PolarHBondContact O-OG 3.31Å; H104-Y118 AromaticContact CD2-CD2 3.95Å; H104-Y118 AromaticContact CD2-CE2 3.82Å; H104-Y118 AromaticContact NE2-CD2 3.96Å; H104-Y118 AromaticContact NE2-CE2 3.79Å; H104-M145 HydrophobicContact CB-CE 3.61Å; H104-M145 VanDerWaalsContact CG-CE 3.43Å
105K89.5Confident88.7Confident127 Ų12764 Ų6455%0.55231%0.308SS*.Hα-helixtrans-61.9-47.2179.1-178.8179.2173.3-177.20111.4R101 E102 V107 S108 E109R101-K105 VanDerWaalsContact O-CB 3.25Å; R101-K105 WeakPolarHBondContact O-CB 3.15Å; R101-K105 PolarHBondContact O-N 3.45Å; E102-K105 PolarHBondContact O-N 2.87Å; K105-V107 VanDerWaalsContact C-N 3.32Å; K105-V107 PolarHBondContact O-N 3.05Å; K105-S108 PolarHBondContact O-N 2.99Å; K105-E109 WeakPolarHBondContact CE-OE1 3.21Å; K105-E109 HydrophobicContact CG-CG 4.47Å; K105-E109 IonicContact NZ-OE1 3.95Å; K105-E109 WeakPolarHBondContact O-CG 3.44Å; K105-E109 PolarHBondContact O-N 3.17Å
106E85.9Confident88.5Confident29 Ų2958.6 Ų58.614%0.13629%0.285CS..Hα-helixtrans-55.2-47.9178.6-179.4175.5172.900111.1R72 Y79 E102 H110R72-E106 WeakPolarHBondContact CB-OE1 3.34Å; R72-E106 WeakPolarHBondContact CD-OE1 3.43Å; R72-E106 VanDerWaalsContact CD-OE2 3.31Å; R72-E106 WeakPolarHBondContact CD-OE2 3.49Å; R72-E106 VanDerWaalsContact CG-OE1 3.31Å; R72-E106 WeakPolarHBondContact CG-OE1 3.5Å; R72-E106 IonicContact CZ-OE2 3.52Å; R72-E106 IonicContact NE-OE2 3.84Å; R72-E106 PolarHBondContact NE-OE2 3.48Å; R72-E106 IonicContact NH1-OE2 2.73Å; Y79-E106 HydrophobicContact CE2-CG 4.3Å; E102-E106 WeakPolarHBondContact O-CB 3.46Å; E102-E106 PolarHBondContact O-N 2.98Å; E106-H110 PolarHBondContact O-ND1 3.48Å
107V86.3Confident88.4Confident0 Ų059.3 Ų59.30%029%0.289CS..Hα-helixtrans-67.8-44.8178.3179.70000111.4L14 Y79 W103 H104 K105 E109 H110 I111 M116 Y118L14-V107 HydrophobicContact CD1-CB 4.37Å; L14-V107 HydrophobicContact CD1-CG2 3.56Å; L14-V107 HydrophobicContact CD2-CG2 3.73Å; L14-V107 HydrophobicContact CG-CG2 4.29Å; Y79-V107 HydrophobicContact CD1-CG1 4.26Å; Y79-V107 HydrophobicContact CD1-CG2 3.69Å; Y79-V107 HydrophobicContact CD2-CG2 4.17Å; Y79-V107 HydrophobicContact CE1-CG2 3.67Å; Y79-V107 HydrophobicContact CE2-CG2 4.16Å; Y79-V107 HydrophobicContact CG-CB 4.46Å; Y79-V107 HydrophobicContact CG-CG1 4.15Å; Y79-V107 HydrophobicContact CG-CG2 3.97Å; W103-V107 WeakPolarHBondContact O-CG2 2.86Å; W103-V107 PolarHBondContact O-N 3.38Å; H104-V107 PolarHBondContact O-N 2.97Å; K105-V107 VanDerWaalsContact C-N 3.32Å; K105-V107 PolarHBondContact O-N 3.05Å; V107-E109 PolarHBondContact O-N 3.29Å; V107-H110 PolarHBondContact O-N 2.73Å; V107-I111 HydrophobicContact CG1-CG2 3.71Å; V107-I111 WeakPolarHBondContact O-CG1 3.22Å; V107-I111 WeakPolarHBondContact O-CG2 3.3Å; V107-I111 PolarHBondContact O-N 3Å; V107-I111 VanDerWaalsContact O-N 3.14Å; V107-M116 HydrophobicContact CG1-CE 3.52Å; V107-M116 HydrophobicContact CG1-SD 4.06Å; V107-Y118 WeakPolarHBondContact CG1-OH 3.49Å
108S85.8Confident88.3Confident38 Ų3859.2 Ų59.227%0.26629%0.289SS..Hα-helixtrans-56.6-36.6-178.2-620000113H104 K105 H110H104-S108 PolarHBondContact CE1-OG 3.43Å; H104-S108 WeakPolarHBondContact O-CB 3.41Å; H104-S108 PolarHBondContact O-N 2.85Å; H104-S108 PolarHBondContact O-OG 3.31Å; K105-S108 PolarHBondContact O-N 2.99Å; S108-H110 VanDerWaalsContact C-N 3.29Å; S108-H110 PolarHBondContact O-N 2.79Å
109E85.5Confident88.4Confident116 Ų11655.1 Ų55.154%0.54227%0.267SS..Hα-helixtrans-71.8-20.9178.6-71.2174.5170.900113.3K105 V107K105-E109 WeakPolarHBondContact CE-OE1 3.21Å; K105-E109 HydrophobicContact CG-CG 4.47Å; K105-E109 IonicContact NZ-OE1 3.95Å; K105-E109 WeakPolarHBondContact O-CG 3.44Å; K105-E109 PolarHBondContact O-N 3.17Å; V107-E109 PolarHBondContact O-N 3.29Å
110H83.1Confident88.5Confident74 Ų7453.1 Ų53.134%0.34326%0.258SS..Hα-helixtrans-108.1-9.3-173.5-68.192.1000114.9T76 Y79 E106 V107 S108T76-H110 HydrophobicContact CG2-CB 3.98Å; T76-H110 WeakPolarHBondContact CG2-CD2 3.41Å; Y79-H110 HydrophobicContact CD2-CB 4.19Å; E106-H110 PolarHBondContact O-ND1 3.48Å; V107-H110 PolarHBondContact O-N 2.73Å; S108-H110 VanDerWaalsContact C-N 3.29Å; S108-H110 PolarHBondContact O-N 2.79Å
111I81.9Confident88.6Confident8 Ų853 Ų534%0.04126%0.256CS..SBendtrans-95.2-5.1-178.762.7171.4000114.6Y79 V107 H114 M116Y79-I111 VanDerWaalsContact O-CG2 3.29Å; Y79-I111 WeakPolarHBondContact O-CG2 3.16Å; V107-I111 HydrophobicContact CG1-CG2 3.71Å; V107-I111 WeakPolarHBondContact O-CG1 3.22Å; V107-I111 WeakPolarHBondContact O-CG2 3.3Å; V107-I111 PolarHBondContact O-N 3Å; V107-I111 VanDerWaalsContact O-N 3.14Å; I111-H114 WeakPolarHBondContact CG1-O 3.25Å; I111-H114 WeakPolarHBondContact O-CA 3.33Å; I111-H114 VanDerWaalsContact O-CB 3.29Å; I111-H114 WeakPolarHBondContact O-CB 3.42Å; I111-H114 PolarHBondContact O-CD2 2.77Å; I111-H114 PolarHBondContact O-N 2.93Å; I111-M116 HydrophobicContact CD1-CB 3.58Å; I111-M116 HydrophobicContact CD1-CE 4.45Å; I111-M116 HydrophobicContact CG2-CE 3.98Å
112L76Confident88.8Confident120 Ų12047.3 Ų47.363%0.62824%0.235SC*.THydrogen-bonded Turntrans-54.6137.2177.9-66.8176.6000111.2
113P74.4Confident89.1Confident95 Ų9542.8 Ų42.862%0.61721%0.214SC*.THydrogen-bonded Turncis-90.5167.138.2-38000114.8
114H78.7Confident89.5Confident29 Ų2945 Ų4513%0.13422%0.224CC..  trans-89.4155.2-177.1-51.9-78.1000111.9I111 W186I111-H114 WeakPolarHBondContact CG1-O 3.25Å; I111-H114 WeakPolarHBondContact O-CA 3.33Å; I111-H114 VanDerWaalsContact O-CB 3.29Å; I111-H114 WeakPolarHBondContact O-CB 3.42Å; I111-H114 PolarHBondContact O-CD2 2.77Å; I111-H114 PolarHBondContact O-N 2.93Å; H114-W186 HydrophobicContact CB-CZ2 4.1Å; H114-W186 AromaticContact CD2-CD1 3.88Å; H114-W186 AromaticContact CD2-NE1 3.81Å; H114-W186 AromaticContact CE1-CD1 3.73Å; H114-W186 AromaticContact CE1-CD2 3.8Å; H114-W186 AromaticContact CE1-CG 3.56Å; H114-W186 AromaticContact CG-CE2 3.82Å; H114-W186 AromaticContact CG-NE1 3.71Å; H114-W186 AromaticContact ND1-CD2 3.68Å; H114-W186 AromaticContact ND1-CE2 3.66Å; H114-W186 AromaticContact ND1-CG 3.92Å; H114-W186 AromaticContact ND1-NE1 3.87Å; H114-W186 AromaticContact NE2-CD1 3.66Å; H114-W186 AromaticContact NE2-CG 3.92Å
115H82.5Confident89.8Confident153 Ų15343.2 Ų43.271%0.70822%0.217SC*.  trans-108.7140.5170.4-69-80.8000109.4
116M92.4Very high90.2Very high16 Ų1639.5 Ų39.58%0.07920%0.203CC..  trans-109.8137.6176.4-179.2178.9-51.100109.3I12 V83 V107 I111 Y118I12-M116 HydrophobicContact CG2-CE 4.17Å; I12-M116 HydrophobicContact CG2-SD 4Å; V83-M116 WeakPolarHBondContact O-CA 2.84Å; V107-M116 HydrophobicContact CG1-CE 3.52Å; V107-M116 HydrophobicContact CG1-SD 4.06Å; I111-M116 HydrophobicContact CD1-CB 3.58Å; I111-M116 HydrophobicContact CD1-CE 4.45Å; I111-M116 HydrophobicContact CG2-CE 3.98Å; M116-Y118 HydrophobicContact CB-CD2 4.42Å; M116-Y118 HydrophobicContact CB-CE1 4.4Å; M116-Y118 HydrophobicContact CB-CE2 3.67Å; M116-Y118 HydrophobicContact CG-CD1 4.37Å; M116-Y118 HydrophobicContact CG-CD2 4.41Å; M116-Y118 HydrophobicContact CG-CE1 3.9Å; M116-Y118 HydrophobicContact CG-CE2 3.95Å; M116-Y118 WeakPolarHBondContact O-CD2 3.42Å; M116-Y118 VanDerWaalsContact O-CE2 3.23Å; M116-Y118 WeakPolarHBondContact O-CE2 3.2Å; M116-Y118 HydrophobicContact SD-CD1 4.11Å; M116-Y118 HydrophobicContact SD-CE1 3.33Å; M116-Y118 WeakPolarHBondContact SD-CE1 3.28Å; M116-Y118 HydrophobicContact SD-CE2 4.36Å; M116-Y118 PolarHBondContact SD-OH 2.72Å
117V96.3Very high90.7Very high19 Ų1941 Ų4112%0.11521%0.212CC..EExtended strand (participates in β ladder)trans-84.9130.3173-174.20000108.6V83 G84 G85 L167 D170 I171 L174 I180V83-V117 PolarHBondContact O-N 2.91Å; G84-V117 CarbonylContact C-O 3.52Å; G84-V117 VanDerWaalsContact CA-O 3.24Å; G84-V117 WeakPolarHBondContact CA-O 3.42Å; G85-V117 PolarHBondContact N-O 2.96Å; V117-L167 HydrophobicContact CB-CD1 3.98Å; V117-L167 HydrophobicContact CG1-CD1 3.77Å; V117-L167 WeakPolarHBondContact O-CD1 2.86Å; V117-D170 HydrophobicContact CG1-CB 3.92Å; V117-I171 HydrophobicContact CB-CG1 3.77Å; V117-I171 HydrophobicContact CG1-CG1 4.27Å; V117-I171 HydrophobicContact CG2-CG1 3.69Å; V117-L174 HydrophobicContact CG2-CD1 3.58Å; V117-I180 HydrophobicContact CG2-CD1 3.73Å
118Y96.9Very high91.1Very high15 Ų1545.6 Ų45.66%0.05924%0.236CC..EExtended strand (participates in β ladder)trans-118.2151.1-176.9-63.4-88.3000112.9L14 G85 L87 H104 V107 M116L14-Y118 HydrophobicContact CD1-CE1 4.06Å; G85-Y118 VanDerWaalsContact O-CA 3.28Å; G85-Y118 WeakPolarHBondContact O-CA 3.29Å; L87-Y118 HydrophobicContact CD1-CD1 4.03Å; L87-Y118 HydrophobicContact CD1-CG 4.36Å; L87-Y118 HydrophobicContact CG-CD1 4.02Å; H104-Y118 AromaticContact CD2-CD2 3.95Å; H104-Y118 AromaticContact CD2-CE2 3.82Å; H104-Y118 AromaticContact NE2-CD2 3.96Å; H104-Y118 AromaticContact NE2-CE2 3.79Å; V107-Y118 WeakPolarHBondContact CG1-OH 3.49Å; M116-Y118 HydrophobicContact CB-CD2 4.42Å; M116-Y118 HydrophobicContact CB-CE1 4.4Å; M116-Y118 HydrophobicContact CB-CE2 3.67Å; M116-Y118 HydrophobicContact CG-CD1 4.37Å; M116-Y118 HydrophobicContact CG-CD2 4.41Å; M116-Y118 HydrophobicContact CG-CE1 3.9Å; M116-Y118 HydrophobicContact CG-CE2 3.95Å; M116-Y118 WeakPolarHBondContact O-CD2 3.42Å; M116-Y118 VanDerWaalsContact O-CE2 3.23Å; M116-Y118 WeakPolarHBondContact O-CE2 3.2Å; M116-Y118 HydrophobicContact SD-CD1 4.11Å; M116-Y118 HydrophobicContact SD-CE1 3.33Å; M116-Y118 WeakPolarHBondContact SD-CE1 3.28Å; M116-Y118 HydrophobicContact SD-CE2 4.36Å; M116-Y118 PolarHBondContact SD-OH 2.72Å
119I98.2Very high91.7Very high0 Ų053.7 Ų53.70%027%0.267CS..EExtended strand (participates in β ladder)trans-127.7136161.2-63.8-170.8000108.9G85 L86 L87 I121 R148 V150 L166 L167G85-I119 PolarHBondContact O-N 3.47Å; L86-I119 HydrophobicContact CD2-CB 4.01Å; L87-I119 PolarHBondContact N-O 3.37Å; I119-I121 HydrophobicContact CG2-CD1 3.6Å; I119-I121 HydrophobicContact CG2-CG1 4.39Å; I119-R148 HydrophobicContact CD1-CB 4.47Å; I119-R148 HydrophobicContact CG1-CB 4.29Å; I119-R148 HydrophobicContact CG2-CB 4.41Å; I119-V150 HydrophobicContact CG2-CG2 4.04Å; I119-L166 HydrophobicContact CD1-CB 3.56Å; I119-L167 HydrophobicContact CD1-CB 3.76Å; I119-L167 VanDerWaalsContact CD1-N 3.33Å; I119-L167 HydrophobicContact CG1-CB 4.23Å; I119-L167 HydrophobicContact CG1-CD1 4.35Å
120L98.8Very high92.3Very high0 Ų052.5 Ų52.50%026%0.264CS..EExtended strand (participates in β ladder)trans-82.4128.8170.1-175.763.1000110.3L87 F89 V100 A138 L141 A142 I147 R148 Y149 V150L87-L120 HydrophobicContact CB-CD1 4.11Å; F89-L120 HydrophobicContact CD1-CD1 3.77Å; F89-L120 HydrophobicContact CD1-CG 4.3Å; F89-L120 HydrophobicContact CE1-CD1 3.83Å; F89-L120 HydrophobicContact CE1-CD2 4.12Å; F89-L120 HydrophobicContact CE1-CG 3.86Å; V100-L120 HydrophobicContact CB-CD1 4.48Å; V100-L120 HydrophobicContact CG1-CD1 3.62Å; V100-L120 HydrophobicContact CG2-CD1 4.03Å; L120-A138 WeakPolarHBondContact CD2-O 3.48Å; L120-L141 HydrophobicContact CD2-CB 4.44Å; L120-L141 HydrophobicContact CD2-CD2 4.13Å; L120-L141 HydrophobicContact CD2-CG 4.28Å; L120-A142 HydrophobicContact CB-CB 4.35Å; L120-A142 HydrophobicContact CD2-CB 3.98Å; L120-I147 HydrophobicContact CB-CD1 3.85Å; L120-I147 HydrophobicContact CB-CG1 4.36Å; L120-R148 PolarHBondContact N-O 2.95Å; L120-Y149 HydrophobicContact CB-CD2 4.05Å; L120-Y149 HydrophobicContact CD2-CD2 3.84Å; L120-Y149 HydrophobicContact CD2-CE2 4.34Å; L120-Y149 HydrophobicContact CG-CD2 3.78Å; L120-Y149 HydrophobicContact CG-CE2 4.27Å; L120-Y149 CarbonylContact O-C 3.49Å; L120-Y149 WeakPolarHBondContact O-CA 3.43Å; L120-Y149 WeakPolarHBondContact O-CD2 3.48Å; L120-V150 PolarHBondContact O-N 3.07Å
121I98.8Very high93Very high0 Ų052.1 Ų52.10%026%0.26CS..EExtended strand (participates in β ladder)trans-119.1114.5-177.6-55.7-62.6000110.5L24 L86 L87 V88 F89 I119 H123 V150 T152 A163L24-I121 HydrophobicContact CD2-CG2 4.28Å; L86-I121 HydrophobicContact CB-CG1 4.3Å; L86-I121 HydrophobicContact CD2-CD1 4.26Å; L86-I121 HydrophobicContact CD2-CG1 4.14Å; L87-I121 PolarHBondContact O-N 2.81Å; V88-I121 HydrophobicContact CB-CB 4.48Å; V88-I121 HydrophobicContact CG1-CB 4.39Å; V88-I121 HydrophobicContact CG1-CG2 4.24Å; V88-I121 HydrophobicContact CG2-CB 4.19Å; V88-I121 HydrophobicContact CG2-CG1 4.47Å; F89-I121 WeakPolarHBondContact CD1-O 3.42Å; F89-I121 PolarHBondContact N-O 2.81Å; I119-I121 HydrophobicContact CG2-CD1 3.6Å; I119-I121 HydrophobicContact CG2-CG1 4.39Å; I121-H123 HydrophobicContact CG2-CB 4.5Å; I121-H123 PolarHBondContact O-N 2.67Å; I121-V150 WeakPolarHBondContact CA-O 3.31Å; I121-V150 HydrophobicContact CD1-CB 3.97Å; I121-T152 HydrophobicContact CD1-CG2 4.46Å; I121-T152 HydrophobicContact CG2-CG2 3.93Å; I121-T152 WeakPolarHBondContact CG2-OG1 3.31Å; I121-A163 HydrophobicContact CD1-CB 3.72Å
122G98.8Very high93.8Very high0 Ų058 Ų580%029%0.285CS..EExtended strand (participates in β ladder)trans-86.1100.5165.800000109.8V150 E151 T152G122-V150 PolarHBondContact N-O 3.12Å; G122-E151 CarbonylContact O-C 3.52Å; G122-E151 VanDerWaalsContact O-CA 3.24Å; G122-E151 WeakPolarHBondContact O-CA 3.37Å; G122-T152 PolarHBondContact O-N 2.78Å
123H98.8Very high94.8Very high5 Ų552.3 Ų52.32%0.02326%0.255CS..EExtended strand (participates in β ladder)trans-89.4166-175.2-157.957.4000112.9V19 V88 F89 L91 I121 S125 T152 A154V19-H123 PolarHBondContact O-CD2 2.97Å; V88-H123 HydrophobicContact CG1-CB 3.83Å; F89-H123 WeakPolarHBondContact O-CB 3.4Å; F89-H123 PolarHBondContact O-N 2.88Å; L91-H123 WeakPolarHBondContact CB-O 3.4Å; L91-H123 WeakPolarHBondContact CD1-O 3.09Å; L91-H123 VanDerWaalsContact CG-O 3.3Å; L91-H123 WeakPolarHBondContact CG-O 3.3Å; L91-H123 PolarHBondContact N-O 3.26Å; I121-H123 HydrophobicContact CG2-CB 4.5Å; I121-H123 PolarHBondContact O-N 2.67Å; H123-S125 VanDerWaalsContact C-N 3.33Å; H123-S125 PolarHBondContact O-N 2.95Å; H123-T152 CarbonylContact C-O 3.52Å; H123-T152 PolarHBondContact ND1-OG1 2.94Å; H123-A154 PolarHBondContact CE1-N 2.97Å; H123-A154 VanDerWaalsContact CE1-N 3.27Å
124K98.4Very high96Very high50 Ų5051.1 Ų51.122%0.21725%0.246CC..  trans61.336.8-178.2-46.8-170.3-167165.50113.8T18 D90 D126 L127 T152T18-K124 WeakPolarHBondContact O-CE 3.18Å; T18-K124 PolarHBondContact O-NZ 2.8Å; D90-K124 WeakPolarHBondContact OD2-CD 3.41Å; D90-K124 VanDerWaalsContact OD2-CE 3.25Å; D90-K124 WeakPolarHBondContact OD2-CE 3.47Å; D90-K124 IonicContact OD2-NZ 3.35Å; D90-K124 PolarHBondContact OD2-NZ 3.04Å; K124-D126 PolarHBondContact O-N 3.13Å; K124-L127 HydrophobicContact CB-CD1 4.14Å; K124-L127 HydrophobicContact CB-CG 4.43Å; K124-L127 HydrophobicContact CD-CD1 4.24Å; K124-L127 PolarHBondContact O-N 2.76Å; K124-T152 PolarHBondContact N-O 3.46Å; K124-T152 VanDerWaalsContact N-O 3.12Å
125S98.4Very high96.9Very high14 Ų1456.9 Ų56.910%0.09827%0.267CS..THydrogen-bonded Turntrans-60.8-13.8177.354.30000114.6H123 L127 N128 T152H123-S125 VanDerWaalsContact C-N 3.33Å; H123-S125 PolarHBondContact O-N 2.95Å; S125-L127 VanDerWaalsContact C-N 3.26Å; S125-L127 PolarHBondContact O-N 2.96Å; S125-N128 VanDerWaalsContact O-CG 3.26Å; S125-N128 PolarHBondContact O-ND2 2.94Å; S125-N128 PolarHBondContact O-OD1 2.62Å; S125-T152 PolarHBondContact N-O 3.14Å; S125-T152 PolarHBondContact OG-O 2.97Å
126D98.1Very high97.7Very high48 Ų4855.4 Ų55.426%0.25726%0.264SS..THydrogen-bonded Turntrans-67-25.1170.454.5-73.9000113.2K124 N128 S153 K155 C156K124-D126 PolarHBondContact O-N 3.13Å; D126-N128 PolarHBondContact O-N 3.21Å; D126-N128 VanDerWaalsContact O-N 3.12Å; D126-S153 VanDerWaalsContact CG-OG 3.25Å; D126-S153 VanDerWaalsContact OD1-CB 3.26Å; D126-S153 WeakPolarHBondContact OD1-CB 3.36Å; D126-S153 PolarHBondContact OD1-OG 2.89Å; D126-K155 WeakPolarHBondContact OD2-CD 3.5Å; D126-C156 VanDerWaalsContact CB-SG 3.58Å
127L97.1Very high97.9Very high61 Ų6156.4 Ų56.432%0.31927%0.269SS..  trans-88.446.3-179.1-57.3-179.5000112.4T92 K124 S125 K129 D130 R131T92-L127 HydrophobicContact CG2-CB 3.52Å; T92-L127 HydrophobicContact CG2-CD1 3.92Å; T92-L127 HydrophobicContact CG2-CG 4.37Å; K124-L127 HydrophobicContact CB-CD1 4.14Å; K124-L127 HydrophobicContact CB-CG 4.43Å; K124-L127 HydrophobicContact CD-CD1 4.24Å; K124-L127 PolarHBondContact O-N 2.76Å; S125-L127 VanDerWaalsContact C-N 3.26Å; S125-L127 PolarHBondContact O-N 2.96Å; L127-K129 PolarHBondContact O-N 3.45Å; L127-K129 VanDerWaalsContact O-N 3.09Å; L127-D130 PolarHBondContact O-N 2.68Å; L127-R131 PolarHBondContact O-N 3.24Å
128N94.9Very high98.1Very high97 Ų9755.5 Ų55.552%0.51926%0.263SS..G310 helixtrans-57.5-28.5-174.8-80.3-53.6000114.5S125 D126 D130 R131S125-N128 VanDerWaalsContact O-CG 3.26Å; S125-N128 PolarHBondContact O-ND2 2.94Å; S125-N128 PolarHBondContact O-OD1 2.62Å; D126-N128 PolarHBondContact O-N 3.21Å; D126-N128 VanDerWaalsContact O-N 3.12Å; N128-D130 VanDerWaalsContact C-N 3.27Å; N128-D130 PolarHBondContact O-N 3.15Å; N128-R131 WeakPolarHBondContact O-CB 3.5Å; N128-R131 PolarHBondContact O-N 3.22Å; N128-R131 PolarHBondContact OD1-NE 3.05Å; N128-R131 PolarHBondContact OD1-NH2 3.21Å
129K97.1Very high98.1Very high207 Ų20758.3 Ų58.390%0.928%0.277SS*.G310 helixtrans-67.8-29.1177.8-66.4-176.9180178.80112.9L127L127-K129 PolarHBondContact O-N 3.45Å; L127-K129 VanDerWaalsContact O-N 3.09Å
130D97.8Very high98.2Very high92 Ų9264 Ų6449%0.49230%0.303SS..G310 helixtrans-100.36.5-176.9-59.2-54.6000112.3T92 L127 N128 K132T92-D130 WeakPolarHBondContact CA-O 3.49Å; T92-D130 HydrophobicContact CG2-CB 3.88Å; L127-D130 PolarHBondContact O-N 2.68Å; N128-D130 VanDerWaalsContact C-N 3.27Å; N128-D130 PolarHBondContact O-N 3.15Å; D130-K132 PolarHBondContact O-N 3.48Å
131R98.4Very high98.1Very high65 Ų6564.5 Ų64.525%0.24531%0.306CS..  trans-54.5126.5-178.3-178.1179.9-73.4-97.97.2111.4L127 N128 V133 E151L127-R131 PolarHBondContact O-N 3.24Å; N128-R131 WeakPolarHBondContact O-CB 3.5Å; N128-R131 PolarHBondContact O-N 3.22Å; N128-R131 PolarHBondContact OD1-NE 3.05Å; N128-R131 PolarHBondContact OD1-NH2 3.21Å; R131-V133 VanDerWaalsContact CD-O 3.3Å; R131-V133 WeakPolarHBondContact CD-O 3.3Å; R131-V133 WeakPolarHBondContact CG-O 3.49Å; R131-V133 PolarHBondContact NH1-O 2.9Å; R131-V133 VanDerWaalsContact NH1-O 3.08Å; R131-E151 IonicContact CZ-OE1 2.92Å; R131-E151 IonicContact CZ-OE2 3.95Å; R131-E151 IonicContact NH1-OE1 3.81Å; R131-E151 PolarHBondContact NH1-OE1 3.27Å; R131-E151 IonicContact NH1-OE2 3.8Å; R131-E151 IonicContact NH2-OE1 2.71Å; R131-E151 PolarHBondContact NH2-OE1 2.99Å; R131-E151 IonicContact NH2-OE2 3.86Å; R131-E151 PolarHBondContact NH2-OE2 3.37Å
132K98.5Very high98.1Very high132 Ų13264.7 Ų64.757%0.57431%0.307SS*.  trans-114.2-12.7174.3-56.6-57.6179.4-173.10113.1L91 T92 R94 D130L91-K132 PolarHBondContact O-N 3.46Å; T92-K132 WeakPolarHBondContact O-CG 3.34Å; R94-K132 HydrophobicContact CB-CB 4.22Å; D130-K132 PolarHBondContact O-N 3.48Å
133V98.6Very high98.1Very high0 Ų068.3 Ų68.30%034%0.337CS..SBendtrans-122116.9176.6-171.90000109.1F89 L91 F97 R131 E137 A138F89-V133 HydrophobicContact CE2-CB 3.94Å; F89-V133 HydrophobicContact CE2-CG1 3.75Å; F89-V133 HydrophobicContact CE2-CG2 4.13Å; F89-V133 HydrophobicContact CZ-CG1 4.16Å; L91-V133 HydrophobicContact CD2-CB 4.34Å; L91-V133 PolarHBondContact O-N 3.29Å; L91-V133 VanDerWaalsContact O-N 3.15Å; F97-V133 HydrophobicContact CB-CG1 4.46Å; F97-V133 HydrophobicContact CB-CG2 3.78Å; F97-V133 HydrophobicContact CD1-CG1 4.14Å; F97-V133 HydrophobicContact CD1-CG2 4.4Å; F97-V133 HydrophobicContact CD2-CG1 3.89Å; F97-V133 HydrophobicContact CE1-CG1 4.3Å; F97-V133 HydrophobicContact CE2-CG1 4.06Å; F97-V133 HydrophobicContact CG-CG1 3.91Å; F97-V133 HydrophobicContact CG-CG2 4.07Å; F97-V133 HydrophobicContact CZ-CG1 4.25Å; R131-V133 VanDerWaalsContact CD-O 3.3Å; R131-V133 WeakPolarHBondContact CD-O 3.3Å; R131-V133 WeakPolarHBondContact CG-O 3.49Å; R131-V133 PolarHBondContact NH1-O 2.9Å; R131-V133 VanDerWaalsContact NH1-O 3.08Å; V133-E137 WeakPolarHBondContact CA-OE1 3.37Å; V133-E137 HydrophobicContact CG1-CG 3.59Å; V133-A138 HydrophobicContact CG1-CB 4.34Å
134T98.4Very high98Very high71 Ų7173.2 Ų73.244%0.43636%0.361SS..  trans-69.5160.5175.363.10000111E137 A138T134-E137 PolarHBondContact N-OE1 2.96Å; T134-E137 WeakPolarHBondContact O-CG 3.24Å; T134-E137 VanDerWaalsContact OG1-CG 3.28Å; T134-E137 WeakPolarHBondContact OG1-CG 3.34Å; T134-E137 PolarHBondContact OG1-N 3.45Å; T134-E137 PolarHBondContact OG1-OE1 3.47Å; T134-E137 VanDerWaalsContact OG1-OE1 3.04Å; T134-A138 PolarHBondContact O-N 2.72Å
135R98.1Very high97.9Very high149 Ų14972.5 Ų72.556%0.56236%0.358SS*.Hα-helixtrans-66.6-44.2176-179.9167.5177.5172.4-1.7111.3E137 A138 E139 Y149R135-E137 PolarHBondContact O-N 2.87Å; R135-A138 PolarHBondContact O-N 3.05Å; R135-E139 HydrophobicContact CG-CG 4.17Å; R135-E139 IonicContact CZ-OE1 2.73Å; R135-E139 IonicContact NE-OE1 3.88Å; R135-E139 PolarHBondContact NE-OE1 3.08Å; R135-E139 IonicContact NH2-OE1 2.67Å; R135-E139 PolarHBondContact NH2-OE1 3.15Å; R135-E139 WeakPolarHBondContact O-CB 3.41Å; R135-E139 WeakPolarHBondContact O-CG 3.46Å; R135-E139 PolarHBondContact O-N 2.96Å; R135-Y149 HydrophobicContact CG-CE1 4.28Å
136D98.5Very high97.7Very high122 Ų12275.1 Ų75.165%0.65239%0.388SS*.Hα-helixtrans-59.3-43.7-176.4-60.8-6.3000112.3A138 E139 Q140D136-A138 PolarHBondContact O-N 3.22Å; D136-E139 PolarHBondContact O-N 3.12Å; D136-Q140 WeakPolarHBondContact O-CB 3.48Å; D136-Q140 PolarHBondContact O-N 3.39Å
137E98Very high97.7Very high38 Ų3874.2 Ų74.218%0.17838%0.382CS..Hα-helixtrans-70.3-33.1179.274.1-171.2128.500112.9R94 F97 V133 T134 R135 Q140 L141R94-E137 IonicContact CZ-OE2 3.34Å; R94-E137 IonicContact NH1-OE1 2.7Å; R94-E137 PolarHBondContact NH1-OE1 3.21Å; R94-E137 IonicContact NH1-OE2 3.93Å; R94-E137 PolarHBondContact NH1-OE2 3.37Å; R94-E137 IonicContact NH2-OE2 3.67Å; R94-E137 PolarHBondContact NH2-OE2 3.44Å; F97-E137 HydrophobicContact CE1-CG 4.29Å; F97-E137 HydrophobicContact CZ-CG 4.19Å; V133-E137 WeakPolarHBondContact CA-OE1 3.37Å; V133-E137 HydrophobicContact CG1-CG 3.59Å; T134-E137 PolarHBondContact N-OE1 2.96Å; T134-E137 WeakPolarHBondContact O-CG 3.24Å; T134-E137 VanDerWaalsContact OG1-CG 3.28Å; T134-E137 WeakPolarHBondContact OG1-CG 3.34Å; T134-E137 PolarHBondContact OG1-N 3.45Å; T134-E137 PolarHBondContact OG1-OE1 3.47Å; T134-E137 VanDerWaalsContact OG1-OE1 3.04Å; R135-E137 PolarHBondContact O-N 2.87Å; E137-Q140 PolarHBondContact O-N 3.35Å; E137-L141 PolarHBondContact O-N 3.02Å
138A98.6Very high97.7Very high0 Ų076.6 Ų76.60%039%0.387CS..Hα-helixtrans-72.7-38.5176.600000111.6F89 F97 L120 V133 T134 R135 D136 L141 A142 Y149F89-A138 HydrophobicContact CE1-CB 4.49Å; F89-A138 HydrophobicContact CZ-CB 3.88Å; F97-A138 HydrophobicContact CE2-CB 4.02Å; L120-A138 WeakPolarHBondContact CD2-O 3.48Å; V133-A138 HydrophobicContact CG1-CB 4.34Å; T134-A138 PolarHBondContact O-N 2.72Å; R135-A138 PolarHBondContact O-N 3.05Å; D136-A138 PolarHBondContact O-N 3.22Å; A138-L141 PolarHBondContact O-N 3.45Å; A138-A142 WeakPolarHBondContact O-CB 3.27Å; A138-A142 PolarHBondContact O-N 3.42Å; A138-Y149 HydrophobicContact CB-CD1 4.33Å; A138-Y149 HydrophobicContact CB-CD2 4.17Å; A138-Y149 HydrophobicContact CB-CE1 3.76Å; A138-Y149 HydrophobicContact CB-CE2 3.6Å; A138-Y149 HydrophobicContact CB-CG 4.49Å; A138-Y149 WeakPolarHBondContact CB-OH 3.45Å
139E98.6Very high97.9Very high74 Ų7473.7 Ų73.735%0.34637%0.369SS..Hα-helixtrans-63.9-40.5171.2-73.8-178.417000111.3R135 D136 A142 A143 Y149R135-E139 HydrophobicContact CG-CG 4.17Å; R135-E139 IonicContact CZ-OE1 2.73Å; R135-E139 IonicContact NE-OE1 3.88Å; R135-E139 PolarHBondContact NE-OE1 3.08Å; R135-E139 IonicContact NH2-OE1 2.67Å; R135-E139 PolarHBondContact NH2-OE1 3.15Å; R135-E139 WeakPolarHBondContact O-CB 3.41Å; R135-E139 WeakPolarHBondContact O-CG 3.46Å; R135-E139 PolarHBondContact O-N 2.96Å; D136-E139 PolarHBondContact O-N 3.12Å; E139-A142 PolarHBondContact O-N 3.2Å; E139-A143 WeakPolarHBondContact O-CB 3.5Å; E139-A143 PolarHBondContact O-N 3Å; E139-Y149 HydrophobicContact CG-CD1 3.58Å; E139-Y149 HydrophobicContact CG-CE1 4.24Å; E139-Y149 HydrophobicContact CG-CG 4.41Å
140Q98.6Very high98Very high118 Ų11864.5 Ų64.555%0.55133%0.33SS*.Hα-helixtrans-61.2-48.6174-178.2177.2-0.100111.6D136 E137 A142 A143 E144D136-Q140 WeakPolarHBondContact O-CB 3.48Å; D136-Q140 PolarHBondContact O-N 3.39Å; E137-Q140 PolarHBondContact O-N 3.35Å; Q140-A142 VanDerWaalsContact C-N 3.32Å; Q140-A142 PolarHBondContact O-N 3.42Å; Q140-A143 PolarHBondContact O-N 3.5Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.26Å; Q140-E144 PolarHBondContact NE2-OE1 3.45Å; Q140-E144 VanDerWaalsContact NE2-OE1 3.1Å; Q140-E144 WeakPolarHBondContact O-CG 3.24Å; Q140-E144 PolarHBondContact O-N 2.79Å
141L98.4Very high98Very high12 Ų1261.7 Ų61.76%0.06331%0.314CS..Hα-helixtrans-58.4-45.1176.4175.462000111.5F97 V100 R101 L120 E137 A138 A143 E144 M145F97-L141 HydrophobicContact CD2-CD2 4.02Å; F97-L141 HydrophobicContact CE1-CD2 4.38Å; F97-L141 HydrophobicContact CE2-CB 4.11Å; F97-L141 HydrophobicContact CE2-CD2 3.34Å; F97-L141 HydrophobicContact CE2-CG 4.34Å; F97-L141 HydrophobicContact CZ-CB 3.83Å; F97-L141 HydrophobicContact CZ-CD2 3.56Å; F97-L141 HydrophobicContact CZ-CG 4.32Å; V100-L141 HydrophobicContact CB-CD2 4.16Å; V100-L141 HydrophobicContact CG1-CD2 3.99Å; R101-L141 HydrophobicContact CG-CD1 4.08Å; L120-L141 HydrophobicContact CD2-CB 4.44Å; L120-L141 HydrophobicContact CD2-CD2 4.13Å; L120-L141 HydrophobicContact CD2-CG 4.28Å; E137-L141 PolarHBondContact O-N 3.02Å; A138-L141 PolarHBondContact O-N 3.45Å; L141-A143 VanDerWaalsContact C-N 3.34Å; L141-A143 PolarHBondContact O-N 3.48Å; L141-E144 PolarHBondContact O-N 2.86Å; L141-M145 HydrophobicContact CD1-CG 4.23Å; L141-M145 HydrophobicContact CD1-SD 3.82Å; L141-M145 HydrophobicContact CG-SD 3.96Å; L141-M145 WeakPolarHBondContact O-CG 3.48Å; L141-M145 PolarHBondContact O-N 2.81Å
142A98.3Very high98Very high3 Ų358.6 Ų58.63%0.02530%0.303CS..Hα-helixtrans-62.5-41.7178.800000112L120 A138 E139 Q140 M145 G146 I147L120-A142 HydrophobicContact CB-CB 4.35Å; L120-A142 HydrophobicContact CD2-CB 3.98Å; A138-A142 WeakPolarHBondContact O-CB 3.27Å; A138-A142 PolarHBondContact O-N 3.42Å; E139-A142 PolarHBondContact O-N 3.2Å; Q140-A142 VanDerWaalsContact C-N 3.32Å; Q140-A142 PolarHBondContact O-N 3.42Å; A142-M145 CarbonylContact O-C 3.52Å; A142-M145 PolarHBondContact O-N 2.86Å; A142-G146 PolarHBondContact O-N 3.21Å; A142-I147 CarbonylContact C-O 3.42Å; A142-I147 HydrophobicContact CB-CG1 4.22Å; A142-I147 WeakPolarHBondContact CB-O 3.27Å; A142-I147 PolarHBondContact O-N 3.34Å
143A98Very high98Very high76 Ų7652.3 Ų52.363%0.62828%0.276SS*.Hα-helixtrans-63-44175.900000112.1E139 Q140 L141 M145 G146E139-A143 WeakPolarHBondContact O-CB 3.5Å; E139-A143 PolarHBondContact O-N 3Å; Q140-A143 PolarHBondContact O-N 3.5Å; L141-A143 VanDerWaalsContact C-N 3.34Å; L141-A143 PolarHBondContact O-N 3.48Å; A143-M145 PolarHBondContact O-N 2.63Å; A143-G146 PolarHBondContact O-N 2.95Å
144E97.3Very high98Very high109 Ų10952.4 Ų52.451%0.50928%0.276SS..Hα-helixtrans-63.1-30.7175.9-71.6174.7-16400112.8R101 Q140 L141R101-E144 IonicContact CZ-OE2 3.85Å; R101-E144 IonicContact NH2-OE2 3.45Å; R101-E144 PolarHBondContact NH2-OE2 2.98Å; Q140-E144 WeakPolarHBondContact CG-OE1 3.26Å; Q140-E144 PolarHBondContact NE2-OE1 3.45Å; Q140-E144 VanDerWaalsContact NE2-OE1 3.1Å; Q140-E144 WeakPolarHBondContact O-CG 3.24Å; Q140-E144 PolarHBondContact O-N 2.79Å; L141-E144 PolarHBondContact O-N 2.86Å
145M95.3Very high97.9Very high34 Ų3453.7 Ų53.717%0.16728%0.275CS..Hα-helixtrans-85.9-9.1175.3-68.2177.768.900113.2L87 V100 H104 L141 A142 A143 I147L87-M145 HydrophobicContact CD1-CE 3.71Å; V100-M145 HydrophobicContact CG1-SD 4.25Å; H104-M145 HydrophobicContact CB-CE 3.61Å; H104-M145 VanDerWaalsContact CG-CE 3.43Å; L141-M145 HydrophobicContact CD1-CG 4.23Å; L141-M145 HydrophobicContact CD1-SD 3.82Å; L141-M145 HydrophobicContact CG-SD 3.96Å; L141-M145 WeakPolarHBondContact O-CG 3.48Å; L141-M145 PolarHBondContact O-N 2.81Å; A142-M145 CarbonylContact O-C 3.52Å; A142-M145 PolarHBondContact O-N 2.86Å; A143-M145 PolarHBondContact O-N 2.63Å; M145-I147 VanDerWaalsContact C-N 3.34Å; M145-I147 HydrophobicContact CB-CD1 4.04Å; M145-I147 HydrophobicContact CB-CG1 3.87Å; M145-I147 HydrophobicContact CB-CG2 4.47Å; M145-I147 HydrophobicContact CE-CD1 3.88Å; M145-I147 HydrophobicContact SD-CD1 4.17Å
146G95.8Very high97.9Very high70 Ų7050.7 Ų50.772%0.72228%0.277SS*.THydrogen-bonded Turntrans6928-176.300000114.1A142 A143A142-G146 PolarHBondContact O-N 3.21Å; A143-G146 PolarHBondContact O-N 2.95Å
147I96.9Very high97.8Very high28 Ų2848.6 Ų48.614%0.14427%0.266CS..  trans-122.5163-175.466.1177.7000111.1L87 L120 A142 M145L87-I147 HydrophobicContact CD1-CD1 3.99Å; L120-I147 HydrophobicContact CB-CD1 3.85Å; L120-I147 HydrophobicContact CB-CG1 4.36Å; A142-I147 CarbonylContact C-O 3.42Å; A142-I147 HydrophobicContact CB-CG1 4.22Å; A142-I147 WeakPolarHBondContact CB-O 3.27Å; A142-I147 PolarHBondContact O-N 3.34Å; M145-I147 VanDerWaalsContact C-N 3.34Å; M145-I147 HydrophobicContact CB-CD1 4.04Å; M145-I147 HydrophobicContact CB-CG1 3.87Å; M145-I147 HydrophobicContact CB-CG2 4.47Å; M145-I147 HydrophobicContact CE-CD1 3.88Å; M145-I147 HydrophobicContact SD-CD1 4.17Å
148R97.6Very high97.9Very high112 Ų11249.1 Ų49.142%0.42327%0.273SS..EExtended strand (participates in β ladder)trans-77.6155.2175.2-59.2-172.7-162.8-144.9-2.1111.3I119 L120 L166 D170I119-R148 HydrophobicContact CD1-CB 4.47Å; I119-R148 HydrophobicContact CG1-CB 4.29Å; I119-R148 HydrophobicContact CG2-CB 4.41Å; L120-R148 PolarHBondContact N-O 2.95Å; R148-L166 VanDerWaalsContact NH1-CD2 3.26Å; R148-D170 IonicContact CZ-OD1 2.82Å; R148-D170 IonicContact CZ-OD2 3.43Å; R148-D170 VanDerWaalsContact CZ-OD2 3.26Å; R148-D170 IonicContact NE-OD1 2.6Å; R148-D170 PolarHBondContact NE-OD1 3.12Å; R148-D170 IonicContact NE-OD2 3.34Å; R148-D170 PolarHBondContact NE-OD2 3.47Å; R148-D170 IonicContact NH1-OD1 3.07Å; R148-D170 VanDerWaalsContact NH2-CG 3.32Å; R148-D170 IonicContact NH2-OD1 3.26Å; R148-D170 PolarHBondContact NH2-OD1 2.97Å; R148-D170 IonicContact NH2-OD2 3.34Å; R148-D170 PolarHBondContact NH2-OD2 3.06Å
149Y98.7Very high97.9Very high36 Ų3652.8 Ų52.814%0.14129%0.293CS..EExtended strand (participates in β ladder)trans-116.9137.6170.8177.9-121.3000111.6F89 L120 R135 A138 E139 E151F89-Y149 AromaticContact CE1-CE2 3.85Å; F89-Y149 HydrophobicContact CE1-CE2 3.85Å; F89-Y149 AromaticContact CZ-CE2 3.92Å; F89-Y149 HydrophobicContact CZ-CE2 3.92Å; L120-Y149 HydrophobicContact CB-CD2 4.05Å; L120-Y149 HydrophobicContact CD2-CD2 3.84Å; L120-Y149 HydrophobicContact CD2-CE2 4.34Å; L120-Y149 HydrophobicContact CG-CD2 3.78Å; L120-Y149 HydrophobicContact CG-CE2 4.27Å; L120-Y149 CarbonylContact O-C 3.49Å; L120-Y149 WeakPolarHBondContact O-CA 3.43Å; L120-Y149 WeakPolarHBondContact O-CD2 3.48Å; R135-Y149 HydrophobicContact CG-CE1 4.28Å; A138-Y149 HydrophobicContact CB-CD1 4.33Å; A138-Y149 HydrophobicContact CB-CD2 4.17Å; A138-Y149 HydrophobicContact CB-CE1 3.76Å; A138-Y149 HydrophobicContact CB-CE2 3.6Å; A138-Y149 HydrophobicContact CB-CG 4.49Å; A138-Y149 WeakPolarHBondContact CB-OH 3.45Å; E139-Y149 HydrophobicContact CG-CD1 3.58Å; E139-Y149 HydrophobicContact CG-CE1 4.24Å; E139-Y149 HydrophobicContact CG-CG 4.41Å; Y149-E151 HydrophobicContact CE1-CG 3.76Å; Y149-E151 WeakPolarHBondContact OH-CG 3.49Å; Y149-E151 PolarHBondContact OH-OE1 3.2Å
150V98.7Very high97.8Very high13 Ų1349.3 Ų49.38%0.07928%0.277CS..EExtended strand (participates in β ladder)trans-139.6127.8173.9-174.20000110.1I119 L120 I121 G122 T152 N159 A163 L166I119-V150 HydrophobicContact CG2-CG2 4.04Å; L120-V150 PolarHBondContact O-N 3.07Å; I121-V150 WeakPolarHBondContact CA-O 3.31Å; I121-V150 HydrophobicContact CD1-CB 3.97Å; G122-V150 PolarHBondContact N-O 3.12Å; V150-T152 HydrophobicContact CG1-CG2 3.93Å; V150-N159 HydrophobicContact CG1-CB 3.86Å; V150-A163 HydrophobicContact CG1-CB 4.39Å; V150-L166 HydrophobicContact CG2-CD1 3.76Å
151E98.8Very high97.8Very high33 Ų3346 Ų4615%0.15426%0.262CS..EExtended strand (participates in β ladder)trans-83.5132.4166.2-71.7-166.9-177.800110.8L91 G122 R131 Y149 N159L91-E151 HydrophobicContact CD1-CG 4.08Å; G122-E151 CarbonylContact O-C 3.52Å; G122-E151 VanDerWaalsContact O-CA 3.24Å; G122-E151 WeakPolarHBondContact O-CA 3.37Å; R131-E151 IonicContact CZ-OE1 2.92Å; R131-E151 IonicContact CZ-OE2 3.95Å; R131-E151 IonicContact NH1-OE1 3.81Å; R131-E151 PolarHBondContact NH1-OE1 3.27Å; R131-E151 IonicContact NH1-OE2 3.8Å; R131-E151 IonicContact NH2-OE1 2.71Å; R131-E151 PolarHBondContact NH2-OE1 2.99Å; R131-E151 IonicContact NH2-OE2 3.86Å; R131-E151 PolarHBondContact NH2-OE2 3.37Å; Y149-E151 HydrophobicContact CE1-CG 3.76Å; Y149-E151 WeakPolarHBondContact OH-CG 3.49Å; Y149-E151 PolarHBondContact OH-OE1 3.2Å; E151-N159 WeakPolarHBondContact O-CB 3.34Å; E151-N159 PolarHBondContact O-ND2 2.9Å
152T98.8Very high97.7Very high0 Ų050.4 Ų50.40%028%0.278CS..  trans-130.3157.7-17759.90000112.3I121 G122 H123 K124 S125 V150 S158 N159 A163I121-T152 HydrophobicContact CD1-CG2 4.46Å; I121-T152 HydrophobicContact CG2-CG2 3.93Å; I121-T152 WeakPolarHBondContact CG2-OG1 3.31Å; G122-T152 PolarHBondContact O-N 2.78Å; H123-T152 CarbonylContact C-O 3.52Å; H123-T152 PolarHBondContact ND1-OG1 2.94Å; K124-T152 PolarHBondContact N-O 3.46Å; K124-T152 VanDerWaalsContact N-O 3.12Å; S125-T152 PolarHBondContact N-O 3.14Å; S125-T152 PolarHBondContact OG-O 2.97Å; V150-T152 HydrophobicContact CG1-CG2 3.93Å; T152-S158 WeakPolarHBondContact CA-O 3.41Å; T152-N159 HydrophobicContact CG2-CB 4.12Å; T152-A163 HydrophobicContact CG2-CB 4.1Å
153S98.5Very high97.7Very high1 Ų150.3 Ų50.31%0.00728%0.277CS..BIsolated β-bridgetrans-140116.4168.3172.20000109.6D126 K155 C156 N157 S158 V160D126-S153 VanDerWaalsContact CG-OG 3.25Å; D126-S153 VanDerWaalsContact OD1-CB 3.26Å; D126-S153 WeakPolarHBondContact OD1-CB 3.36Å; D126-S153 PolarHBondContact OD1-OG 2.89Å; S153-K155 VanDerWaalsContact C-N 3.28Å; S153-K155 PolarHBondContact OG-N 3.02Å; S153-C156 PolarHBondContact OG-N 2.57Å; S153-N157 CarbonylContact O-C 3.4Å; S153-N157 VanDerWaalsContact O-CA 3.27Å; S153-N157 WeakPolarHBondContact O-CA 3.09Å; S153-N157 PolarHBondContact O-N 3.26Å; S153-S158 PolarHBondContact N-O 2.96Å; S153-S158 PolarHBondContact O-N 3.33Å; S153-V160 WeakPolarHBondContact O-CG2 3.33Å
154A97.9Very high97.7Very high1 Ų146.7 Ų46.71%0.00825%0.248CC..THydrogen-bonded Turntrans-68.3-32.3172.200000111.1S23 R27 Y33 H123S23-A154 WeakPolarHBondContact O-CB 3.33Å; R27-A154 HydrophobicContact CB-CB 4.08Å; R27-A154 VanDerWaalsContact CZ-O 3.31Å; R27-A154 PolarHBondContact NE-O 3Å; R27-A154 PolarHBondContact NH2-O 3.33Å; Y33-A154 HydrophobicContact CD2-CB 3.86Å; Y33-A154 HydrophobicContact CE2-CB 4.35Å; H123-A154 PolarHBondContact CE1-N 2.97Å; H123-A154 VanDerWaalsContact CE1-N 3.27Å
155K97.3Very high97.7Very high98 Ų9844.6 Ų44.643%0.42624%0.238SC..THydrogen-bonded Turntrans-65-51.8179.3-174.3171.7-174.2164.10111.7R27 Y33 D35 D126 S153 N157R27-K155 PolarHBondContact NH2-O 3Å; R27-K155 VanDerWaalsContact NH2-O 3.16Å; Y33-K155 HydrophobicContact CD1-CB 4.38Å; Y33-K155 HydrophobicContact CD1-CG 4.26Å; Y33-K155 HydrophobicContact CD2-CB 4.32Å; Y33-K155 HydrophobicContact CE1-CB 4.02Å; Y33-K155 HydrophobicContact CE1-CD 4.24Å; Y33-K155 HydrophobicContact CE1-CG 3.79Å; Y33-K155 HydrophobicContact CE2-CB 3.93Å; D35-K155 IonicContact OD1-NZ 2.6Å; D126-K155 WeakPolarHBondContact OD2-CD 3.5Å; S153-K155 VanDerWaalsContact C-N 3.28Å; S153-K155 PolarHBondContact OG-N 3.02Å; K155-N157 VanDerWaalsContact C-N 3.34Å
156C96.9Very high97.8Very high87 Ų8743.6 Ų43.659%0.58823%0.233SC*.THydrogen-bonded Turntrans-89.62.2-178.4-63.80000113.9D126 S153 S158D126-C156 VanDerWaalsContact CB-SG 3.58Å; S153-C156 PolarHBondContact OG-N 2.57Å; C156-S158 PolarHBondContact O-N 2.98Å
157N97.7Very high97.9Very high78 Ų7840.3 Ų40.342%0.41720%0.199SC..THydrogen-bonded Turntrans51.537.7-171.4-164.335.8000113.3R27 S153 K155R27-N157 WeakPolarHBondContact CD-OD1 3.32Å; R27-N157 HydrophobicContact CG-CB 4.49Å; R27-N157 WeakPolarHBondContact CG-OD1 3.31Å; S153-N157 CarbonylContact O-C 3.4Å; S153-N157 VanDerWaalsContact O-CA 3.27Å; S153-N157 WeakPolarHBondContact O-CA 3.09Å; S153-N157 PolarHBondContact O-N 3.26Å; K155-N157 VanDerWaalsContact C-N 3.34Å
158S98.4Very high98Very high48 Ų4839 Ų3934%0.33619%0.192SC..BIsolated β-bridgetrans-90.1126.5-178.7-175.70000110.5T152 S153 C156 V160T152-S158 WeakPolarHBondContact CA-O 3.41Å; S153-S158 PolarHBondContact N-O 2.96Å; S153-S158 PolarHBondContact O-N 3.33Å; C156-S158 PolarHBondContact O-N 2.98Å; S158-V160 PolarHBondContact O-N 3.16Å
159N98.4Very high97.9Very high78 Ų7838.7 Ų38.742%0.41719%0.191SC..SBendtrans54.613.8177.5-65.3-35.9000116.2V150 E151 T152 R162 A163V150-N159 HydrophobicContact CG1-CB 3.86Å; E151-N159 WeakPolarHBondContact O-CB 3.34Å; E151-N159 PolarHBondContact O-ND2 2.9Å; T152-N159 HydrophobicContact CG2-CB 4.12Å; N159-R162 HydrophobicContact CB-CB 4.38Å; N159-R162 PolarHBondContact O-N 2.86Å; N159-A163 PolarHBondContact O-N 3.28Å
160V98.4Very high97.8Very high1 Ų138.3 Ų38.31%0.00619%0.191CC..Hα-helixtrans-62.6-61.5-178.3176.70000110.2L24 R27 F28 S153 S158 R162 A163 F164L24-V160 HydrophobicContact CD1-CB 4.31Å; L24-V160 HydrophobicContact CD1-CG1 3.88Å; L24-V160 HydrophobicContact CD1-CG2 3.89Å; R27-V160 HydrophobicContact CB-CG1 4.39Å; R27-V160 HydrophobicContact CG-CB 4.35Å; R27-V160 HydrophobicContact CG-CG1 4.06Å; R27-V160 HydrophobicContact CG-CG2 3.97Å; F28-V160 HydrophobicContact CB-CG1 3.71Å; F28-V160 HydrophobicContact CD2-CG1 4.33Å; S153-V160 WeakPolarHBondContact O-CG2 3.33Å; S158-V160 PolarHBondContact O-N 3.16Å; V160-R162 PolarHBondContact O-N 2.67Å; V160-A163 PolarHBondContact O-N 3.44Å; V160-F164 HydrophobicContact CG1-CE2 4.33Å; V160-F164 VanDerWaalsContact O-CD2 3.3Å; V160-F164 WeakPolarHBondContact O-CD2 3.47Å
161D97.3Very high97.7Very high47 Ų4737.7 Ų37.725%0.25119%0.188SC..Hα-helixtrans-57.5-36.9176.5-66.4-94000112.4R48 A163 F164 Q165R48-D161 IonicContact CZ-OD1 2.62Å; R48-D161 IonicContact NH1-OD1 2.94Å; R48-D161 PolarHBondContact NH1-OD1 2.99Å; R48-D161 IonicContact NH2-OD1 3.1Å; R48-D161 PolarHBondContact NH2-OD1 2.77Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 3.29Å; D161-F164 PolarHBondContact O-N 3.2Å; D161-Q165 WeakPolarHBondContact O-CB 3.41Å; D161-Q165 VanDerWaalsContact O-CG 3.24Å; D161-Q165 WeakPolarHBondContact O-CG 3.25Å; D161-Q165 PolarHBondContact O-N 3.37Å
162R97.6Very high97.6Very high106 Ų10637.1 Ų37.140%0.418%0.184SC..Hα-helixtrans-60.1-42.2-179.3179.457.1176.1163.7-1.4112N159 V160 Q165 L166N159-R162 HydrophobicContact CB-CB 4.38Å; N159-R162 PolarHBondContact O-N 2.86Å; V160-R162 PolarHBondContact O-N 2.67Å; R162-Q165 PolarHBondContact O-N 3.18Å; R162-L166 HydrophobicContact CG-CD1 4.09Å; R162-L166 HydrophobicContact CG-CG 4.44Å; R162-L166 WeakPolarHBondContact O-CB 3.38Å; R162-L166 VanDerWaalsContact O-CG 3.29Å; R162-L166 WeakPolarHBondContact O-CG 3.21Å; R162-L166 PolarHBondContact O-N 3.5Å
163A98.2Very high97.4Very high0 Ų040.3 Ų40.30%020%0.199CC..Hα-helixtrans-61-49.2178.900000111.9I121 V150 T152 N159 V160 D161 L166 L167I121-A163 HydrophobicContact CD1-CB 3.72Å; V150-A163 HydrophobicContact CG1-CB 4.39Å; T152-A163 HydrophobicContact CG2-CB 4.1Å; N159-A163 PolarHBondContact O-N 3.28Å; V160-A163 PolarHBondContact O-N 3.44Å; D161-A163 VanDerWaalsContact C-N 3.34Å; D161-A163 PolarHBondContact O-N 3.29Å; A163-L166 PolarHBondContact O-N 3.25Å; A163-L167 PolarHBondContact O-N 2.9Å; A163-L167 VanDerWaalsContact O-N 3.16Å
164F98.1Very high97.3Very high1 Ų142.5 Ų42.50%0.00421%0.21CC..Hα-helixtrans-69.1-37.3179.5-67.9-87.7000112.5L13 L24 L25 F28 L60 L62 L86 V160 D161 S168L13-F164 HydrophobicContact CD1-CE1 4.45Å; L24-F164 HydrophobicContact CD1-CE2 4.43Å; L24-F164 HydrophobicContact CG-CE2 4.17Å; L24-F164 HydrophobicContact CG-CZ 4.36Å; L25-F164 HydrophobicContact CD2-CE1 4.01Å; L25-F164 HydrophobicContact CD2-CZ 3.91Å; F28-F164 HydrophobicContact CB-CD2 3.94Å; F28-F164 HydrophobicContact CB-CE2 3.57Å; F28-F164 HydrophobicContact CB-CZ 4.11Å; F28-F164 AromaticContact CD1-CD1 4Å; F28-F164 HydrophobicContact CD1-CD1 4Å; F28-F164 AromaticContact CD1-CD2 3.88Å; F28-F164 HydrophobicContact CD1-CD2 3.88Å; F28-F164 HydrophobicContact CD1-CE1 4.08Å; F28-F164 AromaticContact CD1-CE2 4Å; F28-F164 HydrophobicContact CD1-CE2 4Å; F28-F164 AromaticContact CD1-CG 3.9Å; F28-F164 HydrophobicContact CD1-CG 3.9Å; F28-F164 HydrophobicContact CD1-CZ 4.09Å; F28-F164 HydrophobicContact CD2-CB 4.08Å; F28-F164 AromaticContact CD2-CD2 3.35Å; F28-F164 HydrophobicContact CD2-CD2 3.35Å; F28-F164 AromaticContact CD2-CE2 3.93Å; F28-F164 HydrophobicContact CD2-CE2 3.93Å; F28-F164 AromaticContact CD2-CG 3.81Å; F28-F164 HydrophobicContact CD2-CG 3.81Å; F28-F164 HydrophobicContact CE1-CB 4.09Å; F28-F164 AromaticContact CE1-CD1 3.9Å; F28-F164 HydrophobicContact CE1-CD1 3.9Å; F28-F164 HydrophobicContact CE1-CD2 4.22Å; F28-F164 HydrophobicContact CE1-CE1 4.4Å; F28-F164 AromaticContact CE1-CG 3.81Å; F28-F164 HydrophobicContact CE1-CG 3.81Å; F28-F164 HydrophobicContact CE2-CB 3.52Å; F28-F164 AromaticContact CE2-CD2 3.75Å; F28-F164 HydrophobicContact CE2-CD2 3.75Å; F28-F164 AromaticContact CE2-CG 3.73Å; F28-F164 HydrophobicContact CE2-CG 3.73Å; F28-F164 HydrophobicContact CG-CD1 4.39Å; F28-F164 AromaticContact CG-CD2 3.43Å; F28-F164 HydrophobicContact CG-CD2 3.43Å; F28-F164 VanDerWaalsContact CG-CD2 3.43Å; F28-F164 HydrophobicContact CG-CE1 4.47Å; F28-F164 AromaticContact CG-CE2 3.56Å; F28-F164 HydrophobicContact CG-CE2 3.56Å; F28-F164 AromaticContact CG-CG 3.9Å; F28-F164 HydrophobicContact CG-CG 3.9Å; F28-F164 HydrophobicContact CG-CZ 4.09Å; F28-F164 HydrophobicContact CZ-CB 3.53Å; F28-F164 HydrophobicContact CZ-CD1 4.24Å; F28-F164 HydrophobicContact CZ-CD2 4.17Å; F28-F164 AromaticContact CZ-CG 3.73Å; F28-F164 HydrophobicContact CZ-CG 3.73Å; L60-F164 HydrophobicContact CD1-CB 4.31Å; L60-F164 HydrophobicContact CD1-CD1 4.26Å; L62-F164 HydrophobicContact CD1-CE1 4.5Å; L62-F164 HydrophobicContact CD2-CD1 4.07Å; L62-F164 HydrophobicContact CD2-CE1 3.91Å; L86-F164 HydrophobicContact CD1-CD1 3.98Å; L86-F164 HydrophobicContact CD1-CE1 3.44Å; L86-F164 VanDerWaalsContact CD1-CE1 3.44Å; L86-F164 HydrophobicContact CD1-CE2 4.28Å; L86-F164 HydrophobicContact CD1-CZ 3.6Å; V160-F164 HydrophobicContact CG1-CE2 4.33Å; V160-F164 VanDerWaalsContact O-CD2 3.3Å; V160-F164 WeakPolarHBondContact O-CD2 3.47Å; D161-F164 PolarHBondContact O-N 3.2Å; F164-S168 WeakPolarHBondContact O-CB 3.27Å; F164-S168 PolarHBondContact O-N 2.92Å; F164-S168 PolarHBondContact O-OG 3.4Å
165Q97.1Very high97.1Very high65 Ų6543.8 Ų43.830%0.30422%0.217SC..Hα-helixtrans-63.9-42.1174.9-75.7175.12.700112.2D161 R162 S168 R169D161-Q165 WeakPolarHBondContact O-CB 3.41Å; D161-Q165 VanDerWaalsContact O-CG 3.24Å; D161-Q165 WeakPolarHBondContact O-CG 3.25Å; D161-Q165 PolarHBondContact O-N 3.37Å; R162-Q165 PolarHBondContact O-N 3.18Å; Q165-S168 PolarHBondContact O-N 3.31Å; Q165-R169 WeakPolarHBondContact O-CB 3.36Å; Q165-R169 WeakPolarHBondContact O-CG 3.3Å; Q165-R169 PolarHBondContact O-N 3.48Å
166L97.6Very high96.9Very high12 Ų1244.4 Ų44.46%0.06322%0.219CC..Hα-helixtrans-60.6-50.3176.9-82.1175.7000111.3I119 R148 V150 R162 A163 S168 R169 D170I119-L166 HydrophobicContact CD1-CB 3.56Å; R148-L166 VanDerWaalsContact NH1-CD2 3.26Å; V150-L166 HydrophobicContact CG2-CD1 3.76Å; R162-L166 HydrophobicContact CG-CD1 4.09Å; R162-L166 HydrophobicContact CG-CG 4.44Å; R162-L166 WeakPolarHBondContact O-CB 3.38Å; R162-L166 VanDerWaalsContact O-CG 3.29Å; R162-L166 WeakPolarHBondContact O-CG 3.21Å; R162-L166 PolarHBondContact O-N 3.5Å; A163-L166 PolarHBondContact O-N 3.25Å; L166-S168 VanDerWaalsContact C-N 3.32Å; L166-S168 PolarHBondContact O-N 3.08Å; L166-R169 PolarHBondContact O-N 3.19Å; L166-D170 VanDerWaalsContact O-CG 3.27Å; L166-D170 PolarHBondContact O-N 2.79Å
167L98.1Very high96.7Very high1 Ų146.1 Ų46.11%0.00522%0.22CC..Hα-helixtrans-60.2-45179178.158.4000111.3I11 L86 V117 I119 A163 R169 D170 I171I11-L167 HydrophobicContact CD1-CD2 3.94Å; I11-L167 HydrophobicContact CD1-CG 4.32Å; I11-L167 HydrophobicContact CG1-CD2 4.49Å; I11-L167 HydrophobicContact CG2-CD2 3.6Å; L86-L167 HydrophobicContact CD2-CD2 3.75Å; L86-L167 HydrophobicContact CG-CD2 4.08Å; V117-L167 HydrophobicContact CB-CD1 3.98Å; V117-L167 HydrophobicContact CG1-CD1 3.77Å; V117-L167 WeakPolarHBondContact O-CD1 2.86Å; I119-L167 HydrophobicContact CD1-CB 3.76Å; I119-L167 VanDerWaalsContact CD1-N 3.33Å; I119-L167 HydrophobicContact CG1-CB 4.23Å; I119-L167 HydrophobicContact CG1-CD1 4.35Å; A163-L167 PolarHBondContact O-N 2.9Å; A163-L167 VanDerWaalsContact O-N 3.16Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.96Å; L167-D170 PolarHBondContact O-N 2.73Å; L167-I171 HydrophobicContact CD1-CD1 3.91Å; L167-I171 HydrophobicContact CD1-CG1 4.28Å; L167-I171 HydrophobicContact CG-CD1 3.88Å; L167-I171 WeakPolarHBondContact O-CD1 3.44Å; L167-I171 WeakPolarHBondContact O-CG1 3.25Å; L167-I171 PolarHBondContact O-N 3.49Å
168S97.5Very high96.5Very high1 Ų144.6 Ų44.61%0.00722%0.223CC..Hα-helixtrans-63-40-179.8-54.80000112.2F9 F164 Q165 L166 Y172F9-S168 WeakPolarHBondContact CE2-O 3.44Å; F164-S168 WeakPolarHBondContact O-CB 3.27Å; F164-S168 PolarHBondContact O-N 2.92Å; F164-S168 PolarHBondContact O-OG 3.4Å; Q165-S168 PolarHBondContact O-N 3.31Å; L166-S168 VanDerWaalsContact C-N 3.32Å; L166-S168 PolarHBondContact O-N 3.08Å; S168-Y172 WeakPolarHBondContact O-CB 3.14Å; S168-Y172 PolarHBondContact O-N 3.17Å
169R96.8Very high96.1Very high105 Ų10548.7 Ų48.740%0.39624%0.237SC..Hα-helixtrans-66.9-41.6176.3-76.3178.6179.3177.65111.9I52 Q165 L166 L167 I171 Y172 E173I52-R169 HydrophobicContact CB-CG 4.2Å; I52-R169 HydrophobicContact CG2-CG 4.12Å; I52-R169 PolarHBondContact O-NE 3.34Å; I52-R169 PolarHBondContact O-NH2 3.3Å; Q165-R169 WeakPolarHBondContact O-CB 3.36Å; Q165-R169 WeakPolarHBondContact O-CG 3.3Å; Q165-R169 PolarHBondContact O-N 3.48Å; L166-R169 PolarHBondContact O-N 3.19Å; L167-R169 VanDerWaalsContact C-N 3.34Å; L167-R169 PolarHBondContact O-N 2.96Å; R169-I171 PolarHBondContact O-N 3.07Å; R169-Y172 PolarHBondContact O-N 3.16Å; R169-E173 WeakPolarHBondContact O-CG 3.35Å; R169-E173 PolarHBondContact O-N 2.82Å
170D96.5Very high95.8Very high28 Ų2845.7 Ų45.715%0.1522%0.221CC..Hα-helixtrans-63.4-44.4179.8-69.40.5000111.4V117 R148 L166 L167 Y172 E173 L174V117-D170 HydrophobicContact CG1-CB 3.92Å; R148-D170 IonicContact CZ-OD1 2.82Å; R148-D170 IonicContact CZ-OD2 3.43Å; R148-D170 VanDerWaalsContact CZ-OD2 3.26Å; R148-D170 IonicContact NE-OD1 2.6Å; R148-D170 PolarHBondContact NE-OD1 3.12Å; R148-D170 IonicContact NE-OD2 3.34Å; R148-D170 PolarHBondContact NE-OD2 3.47Å; R148-D170 IonicContact NH1-OD1 3.07Å; R148-D170 VanDerWaalsContact NH2-CG 3.32Å; R148-D170 IonicContact NH2-OD1 3.26Å; R148-D170 PolarHBondContact NH2-OD1 2.97Å; R148-D170 IonicContact NH2-OD2 3.34Å; R148-D170 PolarHBondContact NH2-OD2 3.06Å; L166-D170 VanDerWaalsContact O-CG 3.27Å; L166-D170 PolarHBondContact O-N 2.79Å; L167-D170 PolarHBondContact O-N 2.73Å; D170-Y172 VanDerWaalsContact C-N 3.33Å; D170-Y172 PolarHBondContact O-N 2.95Å; D170-E173 PolarHBondContact O-N 3.29Å; D170-L174 WeakPolarHBondContact O-CG 3.42Å; D170-L174 PolarHBondContact O-N 2.99Å; D170-L174 VanDerWaalsContact O-N 3.13Å
171I96.8Very high95.4Very high0 Ų048.5 Ų48.50%024%0.238CC..Hα-helixtrans-60.4-45.5173.9-64158.4000110.5F9 I11 V83 V117 L167 R169 L174 M175 I180F9-I171 HydrophobicContact CD1-CG2 4.14Å; F9-I171 HydrophobicContact CD2-CB 4.01Å; F9-I171 HydrophobicContact CD2-CD1 4.01Å; F9-I171 HydrophobicContact CD2-CG2 3.77Å; F9-I171 HydrophobicContact CE1-CG2 3.93Å; F9-I171 HydrophobicContact CE2-CB 3.68Å; F9-I171 HydrophobicContact CE2-CG2 3.46Å; F9-I171 VanDerWaalsContact CE2-CG2 3.46Å; F9-I171 HydrophobicContact CG-CG2 4.11Å; F9-I171 HydrophobicContact CZ-CB 4.24Å; F9-I171 HydrophobicContact CZ-CG2 3.58Å; I11-I171 HydrophobicContact CD1-CD1 3.66Å; V83-I171 HydrophobicContact CG1-CD1 4.04Å; V83-I171 HydrophobicContact CG1-CG2 4.21Å; V83-I171 HydrophobicContact CG2-CG1 4.44Å; V83-I171 HydrophobicContact CG2-CG2 3.77Å; V117-I171 HydrophobicContact CB-CG1 3.77Å; V117-I171 HydrophobicContact CG1-CG1 4.27Å; V117-I171 HydrophobicContact CG2-CG1 3.69Å; L167-I171 HydrophobicContact CD1-CD1 3.91Å; L167-I171 HydrophobicContact CD1-CG1 4.28Å; L167-I171 HydrophobicContact CG-CD1 3.88Å; L167-I171 WeakPolarHBondContact O-CD1 3.44Å; L167-I171 WeakPolarHBondContact O-CG1 3.25Å; L167-I171 PolarHBondContact O-N 3.49Å; R169-I171 PolarHBondContact O-N 3.07Å; I171-L174 PolarHBondContact O-N 2.97Å; I171-M175 WeakPolarHBondContact O-CG 3.21Å; I171-M175 PolarHBondContact O-N 2.66Å; I171-I180 HydrophobicContact CG2-CD1 4.37Å
172Y95.9Very high95Very high22 Ų2249.4 Ų49.49%0.08625%0.245CC..Hα-helixtrans-64.9-40-178.7-179.7-113.6000113.4Y7 I52 E53 I56 I58 S168 R169 D170 M175 K176Y7-Y172 HydrophobicContact CD2-CD2 4.25Å; Y7-Y172 HydrophobicContact CD2-CE2 4.06Å; Y7-Y172 HydrophobicContact CE2-CD2 4.29Å; Y7-Y172 AromaticContact CE2-CE2 3.73Å; Y7-Y172 HydrophobicContact CE2-CE2 3.73Å; I52-Y172 HydrophobicContact CD1-CD1 3.16Å; I52-Y172 HydrophobicContact CD1-CD2 3.71Å; I52-Y172 HydrophobicContact CD1-CE1 3.59Å; I52-Y172 HydrophobicContact CD1-CE2 4.14Å; I52-Y172 HydrophobicContact CD1-CG 3.18Å; E53-Y172 HydrophobicContact CG-CE1 4.48Å; I56-Y172 HydrophobicContact CG2-CE1 4.33Å; I56-Y172 HydrophobicContact CG2-CE2 3.96Å; I58-Y172 HydrophobicContact CD1-CD2 4.4Å; I58-Y172 HydrophobicContact CD1-CG 4.47Å; S168-Y172 WeakPolarHBondContact O-CB 3.14Å; S168-Y172 PolarHBondContact O-N 3.17Å; R169-Y172 PolarHBondContact O-N 3.16Å; D170-Y172 VanDerWaalsContact C-N 3.33Å; D170-Y172 PolarHBondContact O-N 2.95Å; Y172-M175 WeakPolarHBondContact O-CB 3.42Å; Y172-M175 PolarHBondContact O-N 3.25Å; Y172-M175 VanDerWaalsContact O-N 3.16Å; Y172-K176 HydrophobicContact CD1-CD 3.79Å; Y172-K176 HydrophobicContact CE1-CD 3.35Å; Y172-K176 HydrophobicContact CE1-CG 4.23Å; Y172-K176 HydrophobicContact CE2-CD 4.4Å; Y172-K176 HydrophobicContact CE2-CG 4.45Å; Y172-K176 PolarHBondContact O-N 3.31Å
173E95.4Very high94.4Very high67 Ų6750 Ų5031%0.31325%0.247SC..Hα-helixtrans-64.5-41.8175.7-74.2-58.6147.800111.6R169 D170 M175 K176 M177R169-E173 WeakPolarHBondContact O-CG 3.35Å; R169-E173 PolarHBondContact O-N 2.82Å; D170-E173 PolarHBondContact O-N 3.29Å; E173-M175 PolarHBondContact O-N 2.84Å; E173-K176 WeakPolarHBondContact O-CB 3.24Å; E173-K176 PolarHBondContact O-N 3.02Å; E173-K176 VanDerWaalsContact O-N 3.09Å; E173-K176 IonicContact OE1-NZ 3.7Å; E173-K176 PolarHBondContact OE1-NZ 3.21Å; E173-K176 IonicContact OE2-NZ 3.69Å; E173-K176 PolarHBondContact OE2-NZ 3.41Å; E173-M177 WeakPolarHBondContact O-CG 3.33Å; E173-M177 PolarHBondContact O-N 3.07Å
174L95.1Very high93.7Very high46 Ų4658.3 Ų58.324%0.24129%0.292CS..Hα-helixtrans-62.8-31.1173.2-68.7173.3000112.4V117 D170 I171 M177 G178 E179 I180V117-L174 HydrophobicContact CG2-CD1 3.58Å; D170-L174 WeakPolarHBondContact O-CG 3.42Å; D170-L174 PolarHBondContact O-N 2.99Å; D170-L174 VanDerWaalsContact O-N 3.13Å; I171-L174 PolarHBondContact O-N 2.97Å; L174-M177 PolarHBondContact O-N 2.7Å; L174-G178 PolarHBondContact O-N 2.76Å; L174-E179 HydrophobicContact CB-CB 4.39Å; L174-E179 HydrophobicContact CD2-CB 4.22Å; L174-E179 PolarHBondContact O-N 3.45Å; L174-I180 HydrophobicContact CB-CB 4.38Å; L174-I180 HydrophobicContact CB-CD1 3.85Å; L174-I180 HydrophobicContact CB-CG1 3.97Å; L174-I180 HydrophobicContact CD1-CD1 3.8Å; L174-I180 HydrophobicContact CD1-CG1 4.46Å; L174-I180 PolarHBondContact O-N 3.09Å
175M93.3Very high93Very high28 Ų2862.1 Ų62.114%0.13833%0.331CS..Hα-helixtrans-67.9-42.1171.2-70.4-175.16600112.7Y7 F9 I171 Y172 E173 M177 G178 I180 V189Y7-M175 HydrophobicContact CD1-CE 3.47Å; Y7-M175 VanDerWaalsContact CD1-CE 3.47Å; Y7-M175 HydrophobicContact CD1-SD 4.35Å; Y7-M175 HydrophobicContact CE1-CE 3.41Å; Y7-M175 VanDerWaalsContact CE1-CE 3.41Å; Y7-M175 HydrophobicContact CG-CE 4.14Å; Y7-M175 HydrophobicContact CG-SD 4.49Å; F9-M175 HydrophobicContact CE1-SD 3.41Å; F9-M175 WeakPolarHBondContact CE1-SD 3.25Å; F9-M175 HydrophobicContact CZ-SD 3.65Å; I171-M175 WeakPolarHBondContact O-CG 3.21Å; I171-M175 PolarHBondContact O-N 2.66Å; Y172-M175 WeakPolarHBondContact O-CB 3.42Å; Y172-M175 PolarHBondContact O-N 3.25Å; Y172-M175 VanDerWaalsContact O-N 3.16Å; E173-M175 PolarHBondContact O-N 2.84Å; M175-M177 PolarHBondContact O-N 3.08Å; M175-G178 PolarHBondContact O-N 2.91Å; M175-I180 WeakPolarHBondContact CA-O 3.44Å; M175-I180 HydrophobicContact CG-CB 3.95Å; M175-I180 HydrophobicContact CG-CG2 3.86Å; M175-I180 WeakPolarHBondContact CG-O 3.41Å; M175-V189 HydrophobicContact CE-CG1 3.53Å; M175-V189 HydrophobicContact SD-CG1 3.61Å; M175-V189 HydrophobicContact SD-CG2 4.37Å
176K93.1Very high92.6Very high111 Ų11159.7 Ų59.748%0.48332%0.32SS..Hα-helixtrans-62.1-33.4175.3-75.4166.361.5-171.40112E53 Y172 E173 G178E53-K176 IonicContact OE1-NZ 3.45Å; E53-K176 PolarHBondContact OE1-NZ 2.83Å; Y172-K176 HydrophobicContact CD1-CD 3.79Å; Y172-K176 HydrophobicContact CE1-CD 3.35Å; Y172-K176 HydrophobicContact CE1-CG 4.23Å; Y172-K176 HydrophobicContact CE2-CD 4.4Å; Y172-K176 HydrophobicContact CE2-CG 4.45Å; Y172-K176 PolarHBondContact O-N 3.31Å; E173-K176 WeakPolarHBondContact O-CB 3.24Å; E173-K176 PolarHBondContact O-N 3.02Å; E173-K176 VanDerWaalsContact O-N 3.09Å; E173-K176 IonicContact OE1-NZ 3.7Å; E173-K176 PolarHBondContact OE1-NZ 3.21Å; E173-K176 IonicContact OE2-NZ 3.69Å; E173-K176 PolarHBondContact OE2-NZ 3.41Å; K176-G178 VanDerWaalsContact C-N 3.28Å
177M94.6Very high92.2Very high124 Ų12461.5 Ų61.561%0.61133%0.329SS*.THydrogen-bonded Turntrans-78.2-10.2174.9-64.2175.1-172.400113.3E173 L174 M175 E179E173-M177 WeakPolarHBondContact O-CG 3.33Å; E173-M177 PolarHBondContact O-N 3.07Å; L174-M177 PolarHBondContact O-N 2.7Å; M175-M177 PolarHBondContact O-N 3.08Å; M177-E179 VanDerWaalsContact C-N 3.28Å; M177-E179 HydrophobicContact CB-CG 4.21Å; M177-E179 PolarHBondContact O-N 2.89Å
178G91.8Very high91.8Very high46 Ų4661.4 Ų61.447%0.47433%0.329SS..THydrogen-bonded Turntrans77.68.3-177.700000114.6L174 M175 K176L174-G178 PolarHBondContact O-N 2.76Å; M175-G178 PolarHBondContact O-N 2.91Å; K176-G178 VanDerWaalsContact C-N 3.28Å
179E91.3Very high91.7Very high133 Ų13361.5 Ų61.562%0.62133%0.329SS*.SBendtrans-75.3-32.7177.5-65-172-142.700111.8L174 M177L174-E179 HydrophobicContact CB-CB 4.39Å; L174-E179 HydrophobicContact CD2-CB 4.22Å; L174-E179 PolarHBondContact O-N 3.45Å; M177-E179 VanDerWaalsContact C-N 3.28Å; M177-E179 HydrophobicContact CB-CG 4.21Å; M177-E179 PolarHBondContact O-N 2.89Å
180I91.8Very high91.5Very high16 Ų1660.6 Ų60.68%0.08233%0.328CS..SBendtrans-113.4127.6169.9-64.5178000108.6V83 V117 I171 L174 M175 W186 V189V83-I180 HydrophobicContact CG2-CD1 3.96Å; V83-I180 HydrophobicContact CG2-CG2 3.99Å; V117-I180 HydrophobicContact CG2-CD1 3.73Å; I171-I180 HydrophobicContact CG2-CD1 4.37Å; L174-I180 HydrophobicContact CB-CB 4.38Å; L174-I180 HydrophobicContact CB-CD1 3.85Å; L174-I180 HydrophobicContact CB-CG1 3.97Å; L174-I180 HydrophobicContact CD1-CD1 3.8Å; L174-I180 HydrophobicContact CD1-CG1 4.46Å; L174-I180 PolarHBondContact O-N 3.09Å; M175-I180 WeakPolarHBondContact CA-O 3.44Å; M175-I180 HydrophobicContact CG-CB 3.95Å; M175-I180 HydrophobicContact CG-CG2 3.86Å; M175-I180 WeakPolarHBondContact CG-O 3.41Å; I180-W186 HydrophobicContact CG2-CH2 4.38Å; I180-W186 HydrophobicContact CG2-CZ3 4.38Å; I180-V189 HydrophobicContact CG2-CG2 3.81Å
181T89.9Confident91.1Very high59 Ų5962.4 Ų62.436%0.36234%0.343SS..  trans-131.3154.5179.357.40000111.1
182T88.7Confident90.2Very high66 Ų6663.5 Ų63.541%0.40535%0.354SS..  trans-64.8137167.351.30000109.5V189T182-V189 HydrophobicContact CG2-CB 4.39Å; T182-V189 HydrophobicContact CG2-CG1 3.79Å
183R85.1Confident88.6Confident118 Ų11866.5 Ų66.545%0.44537%0.371SS..  trans-136.2141.5179.7-60.9-178.4-175.6-179.41.7110.3G185 W186R183-G185 PolarHBondContact O-N 2.85Å; R183-W186 HydrophobicContact CB-CB 4.2Å; R183-W186 PolarHBondContact O-N 3.25Å
184D83Confident86.6Confident175 Ų17568 Ų6894%0.93639%0.385SS*.THydrogen-bonded Turntrans-61.6131.2174.6-68.1-26.8000110.4W186D184-W186 VanDerWaalsContact C-N 3.3Å; D184-W186 PolarHBondContact O-N 2.86Å
185G83.2Confident84.3Confident81 Ų8169.2 Ų69.284%0.83539%0.394SS*.THydrogen-bonded Turntrans78.43.6-178.800000115.8R183R183-G185 PolarHBondContact O-N 2.85Å
186W88.3Confident81.9Confident15 Ų1571.2 Ų71.26%0.05742%0.423CS..  trans-114.9119.2173-176.454.6000111.6R80 V83 H114 I180 R183 D184 G188 V189R80-W186 VanDerWaalsContact O-CD1 3.26Å; R80-W186 PolarHBondContact O-NE1 3.08Å; V83-W186 HydrophobicContact CB-CH2 4.02Å; V83-W186 HydrophobicContact CB-CZ2 4.15Å; V83-W186 HydrophobicContact CG2-CH2 3.87Å; V83-W186 HydrophobicContact CG2-CZ2 4.42Å; H114-W186 HydrophobicContact CB-CZ2 4.1Å; H114-W186 AromaticContact CD2-CD1 3.88Å; H114-W186 AromaticContact CD2-NE1 3.81Å; H114-W186 AromaticContact CE1-CD1 3.73Å; H114-W186 AromaticContact CE1-CD2 3.8Å; H114-W186 AromaticContact CE1-CG 3.56Å; H114-W186 AromaticContact CG-CE2 3.82Å; H114-W186 AromaticContact CG-NE1 3.71Å; H114-W186 AromaticContact ND1-CD2 3.68Å; H114-W186 AromaticContact ND1-CE2 3.66Å; H114-W186 AromaticContact ND1-CG 3.92Å; H114-W186 AromaticContact ND1-NE1 3.87Å; H114-W186 AromaticContact NE2-CD1 3.66Å; H114-W186 AromaticContact NE2-CG 3.92Å; I180-W186 HydrophobicContact CG2-CH2 4.38Å; I180-W186 HydrophobicContact CG2-CZ3 4.38Å; R183-W186 HydrophobicContact CB-CB 4.2Å; R183-W186 PolarHBondContact O-N 3.25Å; D184-W186 VanDerWaalsContact C-N 3.3Å; D184-W186 PolarHBondContact O-N 2.86Å; W186-G188 VanDerWaalsContact C-N 3.33Å; W186-G188 PolarHBondContact O-N 3.41Å; W186-V189 HydrophobicContact CH2-CG2 4.26Å; W186-V189 HydrophobicContact CZ3-CB 4.37Å; W186-V189 HydrophobicContact CZ3-CG2 4.09Å
187D89.6Confident79.4Confident49 Ų4970.5 Ų70.526%0.26243%0.427SS..  trans-87.42.8-175.1-71.3-35.1000114.3N81 V189 K190N81-D187 HydrophobicContact CB-CB 4.02Å; N81-D187 CarbonylContact O-C 3.53Å; N81-D187 PolarHBondContact OD1-N 3.43Å; D187-V189 VanDerWaalsContact C-N 3.33Å; D187-V189 PolarHBondContact O-N 2.98Å; D187-K190 WeakPolarHBondContact OD1-CE 3.32Å; D187-K190 IonicContact OD1-NZ 3.43Å; D187-K190 PolarHBondContact OD1-NZ 2.97Å
188G90.9Very high76.7Confident0 Ų069.4 Ų69.40%042%0.423CS..SBendtrans-59.7-43.3-178.200000112.8R10 N81 V83 W186R10-G188 PolarHBondContact N-O 2.95Å; N81-G188 WeakPolarHBondContact O-CA 3.28Å; N81-G188 PolarHBondContact O-N 3.2Å; N81-G188 VanDerWaalsContact O-N 3.08Å; V83-G188 WeakPolarHBondContact CB-O 3.16Å; V83-G188 WeakPolarHBondContact CG1-O 3.28Å; W186-G188 VanDerWaalsContact C-N 3.33Å; W186-G188 PolarHBondContact O-N 3.41Å
189V93.9Very high73.9Confident2 Ų277.2 Ų77.21%0.01244%0.44CS..EExtended strand (participates in β ladder)trans-133.4129.8177.5-177.30000109.5Q8 F9 V83 M175 I180 T182 W186 D187Q8-V189 WeakPolarHBondContact O-CA 3.37Å; F9-V189 HydrophobicContact CD1-CG1 4.16Å; F9-V189 HydrophobicContact CD1-CG2 4.14Å; F9-V189 HydrophobicContact CE1-CG1 3.97Å; F9-V189 HydrophobicContact CE1-CG2 4.35Å; V83-V189 HydrophobicContact CB-CG2 3.89Å; V83-V189 HydrophobicContact CG1-CG2 4.02Å; V83-V189 HydrophobicContact CG2-CG2 3.64Å; M175-V189 HydrophobicContact CE-CG1 3.53Å; M175-V189 HydrophobicContact SD-CG1 3.61Å; M175-V189 HydrophobicContact SD-CG2 4.37Å; I180-V189 HydrophobicContact CG2-CG2 3.81Å; T182-V189 HydrophobicContact CG2-CB 4.39Å; T182-V189 HydrophobicContact CG2-CG1 3.79Å; W186-V189 HydrophobicContact CH2-CG2 4.26Å; W186-V189 HydrophobicContact CZ3-CB 4.37Å; W186-V189 HydrophobicContact CZ3-CG2 4.09Å; D187-V189 VanDerWaalsContact C-N 3.33Å; D187-V189 PolarHBondContact O-N 2.98Å
190K92.7Very high71.2Confident86 Ų8676.7 Ų76.737%0.37445%0.448SS..EExtended strand (participates in β ladder)trans-124.3143.3169-59.8-171.8178.7-172.80110.8Y7 Q8 D187Y7-K190 CarbonylContact C-O 3.6Å; Y7-K190 VanDerWaalsContact CA-O 3.27Å; Y7-K190 WeakPolarHBondContact CA-O 3.46Å; Q8-K190 HydrophobicContact CB-CB 4.28Å; Q8-K190 PolarHBondContact N-O 3.48Å; Q8-K190 PolarHBondContact O-N 2.82Å; D187-K190 WeakPolarHBondContact OD1-CE 3.32Å; D187-K190 IonicContact OD1-NZ 3.43Å; D187-K190 PolarHBondContact OD1-NZ 2.97Å
191S89.2Confident68.5Low67 Ų6779.2 Ų79.247%0.46948%0.478SS..EExtended strand (participates in β ladder)trans-72.8147.5167.4-62.80000110.7W5 L193W5-S191 WeakPolarHBondContact CZ3-O 3.45Å; S191-L193 PolarHBondContact O-N 2.55Å
192G78.4Confident65.8Low22 Ų2285.4 Ų85.423%0.22750%0.503CS..  trans-50.7129.7172.700000111.9W5 Q6 T194W5-G192 VanDerWaalsContact CE3-CA 3.45Å; W5-G192 VanDerWaalsContact CZ3-N 3.35Å; W5-G192 VanDerWaalsContact O-CA 3.26Å; W5-G192 WeakPolarHBondContact O-CA 3.32Å; Q6-G192 PolarHBondContact O-N 2.73Å; G192-T194 PolarHBondContact O-N 3.35Å; G192-T194 VanDerWaalsContact O-N 3.14Å
193L61Low63.2Low86 Ų8690.6 Ų90.645%0.4552%0.523SS..  trans-63.9112.9163.8-72.5158000107.2S191 T195 V197S191-L193 PolarHBondContact O-N 2.55Å; L193-T195 PolarHBondContact O-N 3.24Å; L193-V197 HydrophobicContact CD2-CB 3.98Å; L193-V197 HydrophobicContact CD2-CG1 4.38Å; L193-V197 HydrophobicContact CD2-CG2 4.48Å
194T52.8Low60.8Low99 Ų9992.6 Ų92.661%0.60754%0.542SS*.  trans-55133.1152.944.10000106.6G192 G196 V197G192-T194 PolarHBondContact O-N 3.35Å; G192-T194 VanDerWaalsContact O-N 3.14Å; T194-G196 PolarHBondContact O-N 3.21Å; T194-V197 PolarHBondContact O-N 2.96Å
195T47Very low58.5Low70 Ų7091 Ų9143%0.42953%0.532SS..G310 helixtrans-54.32.6-175.822.70000116.1L193L193-T195 PolarHBondContact O-N 3.24Å
196G43.2Very low56.1Low71 Ų7195.7 Ų95.773%0.73253%0.532SS*.G310 helixtrans-82.94.4174.700000116.7T194T194-G196 PolarHBondContact O-N 3.21Å
197V40.3Very low53.6Low96 Ų96101.1 Ų101.158%0.58257%0.567SS**G310 helixtrans-121.19.2-178.5-162.60000113.1L193 T194L193-V197 HydrophobicContact CD2-CB 3.98Å; L193-V197 HydrophobicContact CD2-CG1 4.38Å; L193-V197 HydrophobicContact CD2-CG2 4.48Å; T194-V197 PolarHBondContact O-N 2.96Å
198L38.8Very low51Low100 Ų100106.9 Ų106.952%0.52459%0.592SS.*SBendtrans-915.9179.5-79.7169.2000115.3
199Y33.3Very low48.2Very low211 Ų211112.7 Ų112.783%0.82763%0.63SS**  trans-138.1103.7165.5-61.8-81.4000109.2G201Y199-G201 PolarHBondContact O-N 3.06Å
200P34.8Very low45.7Very low121 Ų121124.2 Ų124.279%0.78667%0.673SS**  trans-62124.3152.6-0.416.4000106E202P200-E202 PolarHBondContact O-N 3.05Å
201G33.9Very low43.1Very low70 Ų70129.2 Ų129.272%0.72270%0.698SS**  trans-46.9123.4-174.300000112.6Y199 E203Y199-G201 PolarHBondContact O-N 3.06Å; G201-E203 VanDerWaalsContact C-N 3.27Å; G201-E203 PolarHBondContact O-N 3.3Å; G201-E203 VanDerWaalsContact O-N 3.14Å
202E34.6Very low40.8Very low189 Ų189136 Ų13688%0.88372%0.719SS**  trans-64.2103.5144.2-71.4-179.4156.700104.4P200 D204P200-E202 PolarHBondContact O-N 3.05Å; E202-D204 PolarHBondContact O-N 2.94Å
203E34.1Very low38.7Very low175 Ų175140.5 Ų140.582%0.81875%0.747SS**  trans-53.1121.3162.1-73.4177.7161.200106.8G201 I205G201-E203 VanDerWaalsContact C-N 3.27Å; G201-E203 PolarHBondContact O-N 3.3Å; G201-E203 VanDerWaalsContact O-N 3.14Å; E203-I205 VanDerWaalsContact C-N 3.3Å; E203-I205 PolarHBondContact O-N 3.16Å
204D33.9Very low37.5Very low160 Ų160142.3 Ų142.386%0.85677%0.765SS**  trans-55.895.3168.8-71.7-53.4000108.3E202 E206E202-D204 PolarHBondContact O-N 2.94Å; D204-E206 VanDerWaalsContact C-N 3.32Å; D204-E206 PolarHBondContact O-N 3.22Å; D204-E206 VanDerWaalsContact O-N 3.08Å
205I34.9Very low36.9Very low141 Ų141144.8 Ų144.872%0.72378%0.775SS**  trans-75.495.4164.4-58.9175.6000105.5E203 V207E203-I205 VanDerWaalsContact C-N 3.3Å; E203-I205 PolarHBondContact O-N 3.16Å; I205-V207 HydrophobicContact CG2-CG2 4.49Å; I205-V207 PolarHBondContact O-N 3.21Å
206E32.4Very low36.5Very low179 Ų179151.2 Ų151.284%0.83682%0.821SS**  trans-54.7103.8162.7-75.8-174.7155.500108.6D204 E208D204-E206 VanDerWaalsContact C-N 3.32Å; D204-E206 PolarHBondContact O-N 3.22Å; D204-E206 VanDerWaalsContact O-N 3.08Å; E206-E208 PolarHBondContact O-N 2.9Å
207V35.6Very low36.2Very low130 Ų130155.3 Ų155.379%0.78883%0.825SS**  trans-79.3100.1172.3-1770000107.6I205I205-V207 HydrophobicContact CG2-CG2 4.49Å; I205-V207 PolarHBondContact O-N 3.21Å
208E34.4Very low36Very low169 Ų169158.4 Ų158.479%0.7984%0.838SS**  trans-55.5133.5167.3-76.1-168.9154.600110.5E206 R210E206-E208 PolarHBondContact O-N 2.9Å; E208-R210 PolarHBondContact O-N 3.37Å; E208-R210 VanDerWaalsContact O-N 3.15Å
209P33.7Very low35.8Very low123 Ų123161.6 Ų161.680%0.79986%0.855SS**  trans-71.9111.5177.321.7-21.5000110.3E211P209-E211 PolarHBondContact O-N 3.34Å
210R40.3Very low35.9Very low244 Ų244158.7 Ų158.792%0.92186%0.857SS**  trans-65.5114.4169.7-77.6-175.8176.8-176.8-0.4110.5E208 K212E208-R210 PolarHBondContact O-N 3.37Å; E208-R210 VanDerWaalsContact O-N 3.15Å; R210-K212 PolarHBondContact O-N 3.21Å
211E38.5Very low36Very low190 Ų190161.1 Ų161.189%0.88886%0.862SS**  trans-57.7130.4168.3-68.1-177.4150.500111.1P209 S213P209-E211 PolarHBondContact O-N 3.34Å; E211-S213 PolarHBondContact O-N 2.68Å
212K39.7Very low36.2Very low209 Ų209167.1 Ų167.191%0.90987%0.871SS**  trans-77103.4170.9-72.1-178.9179177.90109R210R210-K212 PolarHBondContact O-N 3.21Å
213S36Very low36.3Very low117 Ų117165.6 Ų165.682%0.81887%0.87SS**  trans-90.4103.1159.4177.90000108.7E211E211-S213 PolarHBondContact O-N 2.68Å
214C35.8Very low36.4Very low124 Ų124164.8 Ų164.884%0.83887%0.874SS**  trans-90125.5157.4-103.10000107.1
215N39.3Very low36.7Very low152 Ų152165.3 Ų165.381%0.81388%0.876SS**  trans-152.9137.6154.2-122.36000110.7
216C39.1Very low36.8Very low205 Ų205167.5 Ų167.5100%1.38589%0.889SS**  trans85.40-179.4-51.50000115.8

Retrieved 216 of 216 residues in 1948.5 ms (Link to these results)

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