A0A060Y484_ONCMY Loading...

Cytosolic fatty-acid binding proteins domain-containing protein

AlphaFold DB , UniProt , Accession A0A060Y484, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 135 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
1M82.9Confident94.4Very high176 Ų17650.5 Ų50.587%0.86726%0.261SS*.  0157.40-54.2-176.9-151.100108.7D3M1-D3 WeakPolarHBondContact CB-OD2 3.2Å; M1-D3 PolarHBondContact O-N 3.19Å
2V89.9Confident94.5Very high7 Ų753.2 Ų53.24%0.04227%0.274CS..G310 helixtrans-72.4-19.5-176.995.60000112.2K4 F5 M45 I51 L88 L93V2-K4 PolarHBondContact O-N 3.01Å; V2-K4 VanDerWaalsContact O-N 3.09Å; V2-F5 HydrophobicContact CG2-CD2 4.21Å; V2-F5 WeakPolarHBondContact O-CB 3.21Å; V2-F5 WeakPolarHBondContact O-CD2 3.38Å; V2-F5 PolarHBondContact O-N 2.74Å; V2-M45 HydrophobicContact CG1-CE 4.09Å; V2-M45 HydrophobicContact CG1-CG 4.47Å; V2-M45 HydrophobicContact CG1-SD 3.32Å; V2-M45 WeakPolarHBondContact CG1-SD 3.29Å; V2-I51 HydrophobicContact CB-CD1 4.42Å; V2-I51 HydrophobicContact CG1-CD1 4.16Å; V2-I51 HydrophobicContact CG1-CG1 4.27Å; V2-I51 HydrophobicContact CG2-CD1 3.91Å; V2-L88 HydrophobicContact CB-CD1 4.28Å; V2-L93 HydrophobicContact CG2-CD1 4.2Å; V2-L93 HydrophobicContact CG2-CD2 4.49Å
3D92.9Very high94.6Very high87 Ų8752.2 Ų52.247%0.46528%0.275SS..G310 helixtrans-53.5-33.7-177-53.9-93.7000113.5M1 F5 V6 M45M1-D3 WeakPolarHBondContact CB-OD2 3.2Å; M1-D3 PolarHBondContact O-N 3.19Å; D3-F5 PolarHBondContact O-N 2.5Å; D3-V6 WeakPolarHBondContact O-CB 3.43Å; D3-V6 PolarHBondContact O-N 3.5Å; D3-M45 VanDerWaalsContact OD1-CE 3.3Å; D3-M45 WeakPolarHBondContact OD1-CE 3.41Å
4K94.6Very high94.7Very high80 Ų8051.1 Ų51.135%0.34827%0.274SS..G310 helixtrans-62.6-24.9177.570.9179.7-178.4168.20113V2 G91 V110V2-K4 PolarHBondContact O-N 3.01Å; V2-K4 VanDerWaalsContact O-N 3.09Å; K4-G91 WeakPolarHBondContact CE-O 3.14Å; K4-G91 PolarHBondContact NZ-O 2.85Å; K4-V110 HydrophobicContact CD-CB 4.3Å; K4-V110 HydrophobicContact CG-CB 4.39Å; K4-V110 HydrophobicContact CG-CG2 4.37Å
5F96.8Very high94.9Very high0 Ų054.1 Ų54.10%029%0.29CS..G310 helixtrans-86-16.9177.4-59.6-82.8000112.6V2 D3 G7 W9 I43 L88 L93 R108 V110 L116V2-F5 HydrophobicContact CG2-CD2 4.21Å; V2-F5 WeakPolarHBondContact O-CB 3.21Å; V2-F5 WeakPolarHBondContact O-CD2 3.38Å; V2-F5 PolarHBondContact O-N 2.74Å; D3-F5 PolarHBondContact O-N 2.5Å; F5-G7 PolarHBondContact O-N 3.11Å; F5-W9 PolarHBondContact O-NE1 2.81Å; F5-I43 HydrophobicContact CB-CD1 4.05Å; F5-I43 HydrophobicContact CB-CG2 4.47Å; F5-I43 WeakPolarHBondContact O-CB 3.48Å; F5-L88 HydrophobicContact CE2-CD2 4.16Å; F5-L93 HydrophobicContact CD1-CB 4.4Å; F5-L93 HydrophobicContact CD2-CB 4.16Å; F5-L93 HydrophobicContact CE1-CB 4.06Å; F5-L93 HydrophobicContact CE2-CB 3.79Å; F5-L93 HydrophobicContact CG-CB 4.46Å; F5-L93 HydrophobicContact CG-CD2 4.5Å; F5-L93 HydrophobicContact CZ-CB 3.74Å; F5-R108 HydrophobicContact CD1-CB 4.35Å; F5-R108 HydrophobicContact CE1-CB 3.91Å; F5-R108 WeakPolarHBondContact CE1-O 3.21Å; F5-R108 VanDerWaalsContact CZ-O 3.23Å; F5-R108 WeakPolarHBondContact CZ-O 3.27Å; F5-V110 HydrophobicContact CD1-CG2 3.59Å; F5-V110 HydrophobicContact CE1-CG2 3.74Å; F5-V110 HydrophobicContact CG-CG2 4.27Å; F5-L116 HydrophobicContact CD1-CD1 4.1Å
6V96.8Very high95.1Very high42 Ų4255.6 Ų55.626%0.25530%0.298SS..  trans-66132.9-177.4174.50000110.7D3 I43 M45 K133D3-V6 WeakPolarHBondContact O-CB 3.43Å; D3-V6 PolarHBondContact O-N 3.5Å; V6-I43 WeakPolarHBondContact CA-O 3.48Å; V6-M45 HydrophobicContact CG2-CB 4.22Å; V6-K133 WeakPolarHBondContact O-CE 3.44Å; V6-K133 PolarHBondContact O-NZ 3.13Å
7G96.8Very high95.1Very high18 Ų1853.7 Ų53.719%0.18629%0.286CS..EExtended strand (participates in β ladder)trans134.7-176-179.600000113.1F5 I43F5-G7 PolarHBondContact O-N 3.11Å; G7-I43 PolarHBondContact N-O 3.25Å; G7-I43 PolarHBondContact O-N 2.96Å
8T97.6Very high95.2Very high38 Ų3853.1 Ų53.123%0.23328%0.283CS..EExtended strand (participates in β ladder)trans-97.9132174.2-56.10000109.9I42 E134T8-I42 HydrophobicContact CG2-CG1 3.84Å; T8-E134 HydrophobicContact CG2-CB 4.12Å; T8-E134 WeakPolarHBondContact CG2-OE2 3.46Å; T8-E134 PolarHBondContact O-N 3.21Å
9W98.1Very high95.4Very high3 Ų354.2 Ų54.21%0.01129%0.289CS..EExtended strand (participates in β ladder)trans-123.6121.9-177-59.990.8000109.8F5 S40 L41 V110 G114 L116 Y131 V132 K133F5-W9 PolarHBondContact O-NE1 2.81Å; W9-S40 CarbonylContact O-C 3.52Å; W9-S40 WeakPolarHBondContact O-CA 3.34Å; W9-L41 HydrophobicContact CB-CB 4.22Å; W9-L41 WeakPolarHBondContact CB-O 3.43Å; W9-L41 PolarHBondContact N-O 2.73Å; W9-L41 PolarHBondContact O-N 2.89Å; W9-V110 HydrophobicContact CH2-CG1 4.02Å; W9-V110 HydrophobicContact CH2-CG2 3.93Å; W9-V110 HydrophobicContact CZ2-CG2 3.99Å; W9-G114 WeakPolarHBondContact CZ3-O 3.35Å; W9-L116 HydrophobicContact CD2-CB 3.77Å; W9-L116 HydrophobicContact CD2-CD1 3.79Å; W9-L116 HydrophobicContact CD2-CG 4.45Å; W9-L116 HydrophobicContact CE3-CB 3.46Å; W9-L116 VanDerWaalsContact CE3-CB 3.46Å; W9-L116 HydrophobicContact CE3-CD1 4.36Å; W9-L116 HydrophobicContact CG-CB 4.44Å; W9-L116 HydrophobicContact CG-CD1 3.94Å; W9-L116 HydrophobicContact CH2-CB 4.13Å; W9-L116 HydrophobicContact CZ2-CB 4.4Å; W9-L116 HydrophobicContact CZ2-CD1 4.24Å; W9-L116 HydrophobicContact CZ3-CB 3.65Å; W9-Y131 HydrophobicContact CB-CD1 4.15Å; W9-Y131 HydrophobicContact CB-CG 4.28Å; W9-V132 CarbonylContact C-O 3.6Å; W9-V132 WeakPolarHBondContact CA-O 3.41Å; W9-K133 HydrophobicContact CD2-CB 4.45Å; W9-K133 HydrophobicContact CD2-CG 4.43Å; W9-K133 HydrophobicContact CE3-CB 3.88Å; W9-K133 HydrophobicContact CE3-CG 4.34Å; W9-K133 HydrophobicContact CH2-CB 4.13Å; W9-K133 HydrophobicContact CH2-CD 4.07Å; W9-K133 HydrophobicContact CH2-CG 4.27Å; W9-K133 HydrophobicContact CZ2-CD 4.12Å; W9-K133 HydrophobicContact CZ2-CG 4.36Å; W9-K133 HydrophobicContact CZ3-CB 3.71Å; W9-K133 HydrophobicContact CZ3-CG 4.26Å
10K96.6Very high95.5Very high92 Ų9251.9 Ų51.940%0.428%0.276SS..EExtended strand (participates in β ladder)trans-95128.4177.1-76.4-177.9175.2166.40110.8I12 Y131 V132 E134K10-I12 PolarHBondContact O-N 3.48Å; K10-Y131 CarbonylContact O-C 3.52Å; K10-Y131 WeakPolarHBondContact O-CA 3.48Å; K10-Y131 WeakPolarHBondContact O-CB 3.36Å; K10-V132 HydrophobicContact CB-CG2 4.3Å; K10-V132 PolarHBondContact N-O 3.15Å; K10-V132 PolarHBondContact O-N 2.94Å; K10-E134 WeakPolarHBondContact CE-OE1 2.91Å; K10-E134 IonicContact NZ-OE1 3.62Å; K10-E134 PolarHBondContact NZ-OE1 3.49Å
11M95.8Very high95.5Very high13 Ų1350 Ų506%0.06427%0.266CS..EExtended strand (participates in β ladder)trans-69130.5177-170.4-179.8-67.300111.6K38 P39 R129 Y131M11-K38 HydrophobicContact CB-CB 4.4Å; M11-P39 WeakPolarHBondContact CB-O 3.23Å; M11-P39 HydrophobicContact CE-CG 3.6Å; M11-R129 HydrophobicContact CE-CB 4.46Å; M11-R129 PolarHBondContact SD-NH2 2.85Å; M11-Y131 HydrophobicContact CB-CD1 3.77Å; M11-Y131 HydrophobicContact CB-CE1 3.71Å; M11-Y131 HydrophobicContact CB-CG 4.49Å; M11-Y131 HydrophobicContact CE-CE1 3.54Å; M11-Y131 HydrophobicContact CE-CE2 4.23Å; M11-Y131 WeakPolarHBondContact CE-OH 3.41Å; M11-Y131 HydrophobicContact CG-CD1 4.44Å; M11-Y131 HydrophobicContact CG-CE1 4.21Å
12I95.5Very high96.2Very high82 Ų8247.6 Ų47.642%0.42125%0.25SS..EExtended strand (participates in β ladder)trans-113.8-31.6178.157.3158.7000112.9K10 T130 V132K10-I12 PolarHBondContact O-N 3.48Å; I12-T130 HydrophobicContact CD1-CG2 3.77Å; I12-T130 HydrophobicContact CG1-CG2 3.78Å; I12-T130 WeakPolarHBondContact CG1-O 3.32Å; I12-T130 PolarHBondContact N-O 3.21Å; I12-V132 HydrophobicContact CD1-CG1 3.68Å; I12-V132 HydrophobicContact CG1-CG1 4.17Å; I12-V132 HydrophobicContact CG2-CB 4.44Å; I12-V132 HydrophobicContact CG2-CG1 3.98Å; I12-V132 HydrophobicContact CG2-CG2 3.7Å
13S95.5Very high96.6Very high40 Ų4049 Ų4928%0.2826%0.263SS..EExtended strand (participates in β ladder)trans-142.5157.9175.5800000111.9R129 T130S13-R129 WeakPolarHBondContact O-CA 3.37Å; S13-T130 PolarHBondContact N-O 2.95Å; S13-T130 PolarHBondContact O-N 3.37Å; S13-T130 VanDerWaalsContact OG-CB 3.24Å; S13-T130 WeakPolarHBondContact OG-CB 3.44Å; S13-T130 PolarHBondContact OG-OG1 3.45Å
14S96.1Very high96.7Very high37 Ų3745.5 Ų45.526%0.25924%0.244SC..EExtended strand (participates in β ladder)trans-154.2105.5179.6-173.40000108.7F17 V128 R129S14-F17 WeakPolarHBondContact OG-CB 3.3Å; S14-V128 WeakPolarHBondContact CA-O 3.3Å; S14-R129 PolarHBondContact OG-NE 3.12Å
15D97.6Very high96.6Very high96 Ų9644.6 Ų44.651%0.51326%0.258SS..EExtended strand (participates in β ladder)trans-106137.1-176-58.3-53000110F17 A127 V128D15-F17 PolarHBondContact O-N 3.05Å; D15-F17 VanDerWaalsContact O-N 3.1Å; D15-A127 WeakPolarHBondContact O-CA 3.47Å; D15-A127 WeakPolarHBondContact O-CB 3.32Å; D15-V128 PolarHBondContact N-O 2.71Å; D15-V128 PolarHBondContact O-N 2.87Å
16N97.8Very high96.5Very high78 Ų7845.3 Ų45.342%0.41726%0.262SS..SBendtrans58.818.2176.6-153.236.2000116.5D18 D19 Y20 V126 A127N16-D18 PolarHBondContact O-N 3.18Å; N16-D19 PolarHBondContact O-N 2.86Å; N16-D19 WeakPolarHBondContact OD1-CB 3.31Å; N16-D19 PolarHBondContact OD1-OD2 3.39Å; N16-D19 VanDerWaalsContact OD1-OD2 3.09Å; N16-Y20 PolarHBondContact O-N 3.09Å; N16-V126 WeakPolarHBondContact CB-O 3.34Å; N16-V126 PolarHBondContact ND2-O 3.01Å; N16-A127 HydrophobicContact CB-CB 4.45Å
17F96.2Very high96.3Very high24 Ų2445.3 Ų45.311%0.10527%0.27CS..Hα-helixtrans-70.8-27.4-174.9-166.9-116.2000113.7S14 D15 Y20 M21 A127 R129S14-F17 WeakPolarHBondContact OG-CB 3.3Å; D15-F17 PolarHBondContact O-N 3.05Å; D15-F17 VanDerWaalsContact O-N 3.1Å; F17-Y20 AromaticContact CD2-CD1 3.84Å; F17-Y20 HydrophobicContact CD2-CD1 3.84Å; F17-Y20 AromaticContact CE2-CD1 3.59Å; F17-Y20 HydrophobicContact CE2-CD1 3.59Å; F17-Y20 AromaticContact CE2-CE1 3.96Å; F17-Y20 HydrophobicContact CE2-CE1 3.96Å; F17-Y20 HydrophobicContact CZ-CD1 4.5Å; F17-Y20 PolarHBondContact O-N 2.95Å; F17-M21 HydrophobicContact CD1-CE 3.52Å; F17-M21 HydrophobicContact CD1-CG 4.16Å; F17-M21 HydrophobicContact CD1-SD 3.89Å; F17-M21 HydrophobicContact CE1-CE 3.73Å; F17-M21 HydrophobicContact CE1-CG 3.79Å; F17-M21 HydrophobicContact CE1-SD 3.43Å; F17-M21 WeakPolarHBondContact CE1-SD 3.26Å; F17-M21 HydrophobicContact CE2-CG 4.38Å; F17-M21 HydrophobicContact CG-CE 4.36Å; F17-M21 HydrophobicContact CZ-CG 3.9Å; F17-M21 HydrophobicContact CZ-SD 4.06Å; F17-M21 WeakPolarHBondContact O-CB 3.49Å; F17-M21 WeakPolarHBondContact O-CG 3.35Å; F17-M21 PolarHBondContact O-N 2.8Å; F17-A127 HydrophobicContact CB-CB 4.42Å; F17-A127 HydrophobicContact CD2-CB 4.21Å; F17-R129 HydrophobicContact CD2-CG 4.47Å; F17-R129 VanDerWaalsContact CE1-NH1 3.26Å
18D96.5Very high96.1Very high42 Ų4250.6 Ų50.623%0.22529%0.289CS..Hα-helixtrans-61.5-47.6173-164.776.5000111.7N16 Y20 M21 K22 R31 N35N16-D18 PolarHBondContact O-N 3.18Å; D18-Y20 VanDerWaalsContact C-N 3.35Å; D18-Y20 PolarHBondContact O-N 2.9Å; D18-M21 PolarHBondContact O-N 2.82Å; D18-K22 WeakPolarHBondContact O-CB 3.19Å; D18-K22 PolarHBondContact O-N 2.83Å; D18-R31 WeakPolarHBondContact O-CD 3.34Å; D18-R31 VanDerWaalsContact OD1-CB 3.25Å; D18-R31 WeakPolarHBondContact OD1-CB 3.35Å; D18-R31 IonicContact OD1-NE 3.38Å; D18-R31 PolarHBondContact OD1-NE 3.14Å; D18-R31 IonicContact OD2-NE 3.32Å; D18-R31 PolarHBondContact OD2-NE 2.83Å; D18-R31 IonicContact OD2-NH2 3.42Å; D18-N35 WeakPolarHBondContact CB-ND2 3.24Å; D18-N35 PolarHBondContact N-OD1 2.97Å; D18-N35 PolarHBondContact OD1-ND2 2.83Å
19D98.1Very high95.8Very high74 Ų7452.3 Ų52.340%0.39631%0.307SS..Hα-helixtrans-67-38.3-179.7-76.9-24.2000111.3N16 K22 A23 V125N16-D19 PolarHBondContact O-N 2.86Å; N16-D19 WeakPolarHBondContact OD1-CB 3.31Å; N16-D19 PolarHBondContact OD1-OD2 3.39Å; N16-D19 VanDerWaalsContact OD1-OD2 3.09Å; D19-K22 WeakPolarHBondContact O-CB 3.43Å; D19-K22 PolarHBondContact O-N 2.88Å; D19-A23 WeakPolarHBondContact O-CB 3.37Å; D19-A23 PolarHBondContact O-N 3.46Å; D19-V125 HydrophobicContact CB-CG1 4.03Å
20Y98.1Very high95.4Very high8 Ų856.1 Ų56.13%0.03133%0.33CS..Hα-helixtrans-59.9-49.6172171.6-100.4000111.7N16 F17 D18 K22 A23 L24 T104 C120 M122 A127N16-Y20 PolarHBondContact O-N 3.09Å; F17-Y20 AromaticContact CD2-CD1 3.84Å; F17-Y20 HydrophobicContact CD2-CD1 3.84Å; F17-Y20 AromaticContact CE2-CD1 3.59Å; F17-Y20 HydrophobicContact CE2-CD1 3.59Å; F17-Y20 AromaticContact CE2-CE1 3.96Å; F17-Y20 HydrophobicContact CE2-CE1 3.96Å; F17-Y20 HydrophobicContact CZ-CD1 4.5Å; F17-Y20 PolarHBondContact O-N 2.95Å; D18-Y20 VanDerWaalsContact C-N 3.35Å; D18-Y20 PolarHBondContact O-N 2.9Å; Y20-K22 VanDerWaalsContact C-N 3.28Å; Y20-K22 PolarHBondContact O-N 2.88Å; Y20-A23 PolarHBondContact O-N 2.9Å; Y20-L24 HydrophobicContact CD1-CD1 4.06Å; Y20-L24 HydrophobicContact CE1-CD1 3.4Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.4Å; Y20-L24 HydrophobicContact CE1-CG 4.19Å; Y20-L24 HydrophobicContact CE2-CD1 4.39Å; Y20-L24 HydrophobicContact CE2-CD2 4.46Å; Y20-L24 HydrophobicContact CE2-CG 4.38Å; Y20-L24 WeakPolarHBondContact O-CG 3.26Å; Y20-L24 PolarHBondContact O-N 2.85Å; Y20-T104 WeakPolarHBondContact CE2-OG1 3.42Å; Y20-T104 PolarHBondContact OH-OG1 3.42Å; Y20-C120 HydrophobicContact CD1-CB 4.07Å; Y20-C120 HydrophobicContact CD2-CB 3.8Å; Y20-C120 HydrophobicContact CE1-CB 3.84Å; Y20-C120 HydrophobicContact CE2-CB 3.56Å; Y20-C120 HydrophobicContact CG-CB 4.05Å; Y20-M122 HydrophobicContact CD2-CB 3.91Å; Y20-M122 HydrophobicContact CE2-CB 3.78Å; Y20-A127 HydrophobicContact CG-CB 4.15Å
21M96.2Very high95.2Very high13 Ų1353.2 Ų53.26%0.06432%0.317CS..Hα-helixtrans-61.5-37.4176.1-75.1-172-67.900111.9F17 D18 L24 G25 V26 R31 N35F17-M21 HydrophobicContact CD1-CE 3.52Å; F17-M21 HydrophobicContact CD1-CG 4.16Å; F17-M21 HydrophobicContact CD1-SD 3.89Å; F17-M21 HydrophobicContact CE1-CE 3.73Å; F17-M21 HydrophobicContact CE1-CG 3.79Å; F17-M21 HydrophobicContact CE1-SD 3.43Å; F17-M21 WeakPolarHBondContact CE1-SD 3.26Å; F17-M21 HydrophobicContact CE2-CG 4.38Å; F17-M21 HydrophobicContact CG-CE 4.36Å; F17-M21 HydrophobicContact CZ-CG 3.9Å; F17-M21 HydrophobicContact CZ-SD 4.06Å; F17-M21 WeakPolarHBondContact O-CB 3.49Å; F17-M21 WeakPolarHBondContact O-CG 3.35Å; F17-M21 PolarHBondContact O-N 2.8Å; D18-M21 PolarHBondContact O-N 2.82Å; M21-L24 WeakPolarHBondContact O-CB 3.41Å; M21-L24 PolarHBondContact O-N 2.78Å; M21-G25 PolarHBondContact O-N 3.45Å; M21-V26 HydrophobicContact CB-CB 4.04Å; M21-V26 HydrophobicContact CB-CG2 4.16Å; M21-V26 WeakPolarHBondContact O-CB 3.39Å; M21-V26 VanDerWaalsContact O-CG2 3.31Å; M21-V26 WeakPolarHBondContact O-CG2 3.35Å; M21-V26 PolarHBondContact O-N 2.8Å; M21-R31 HydrophobicContact CB-CG 3.77Å; M21-R31 HydrophobicContact CE-CB 3.8Å; M21-R31 HydrophobicContact CE-CG 4.2Å; M21-R31 HydrophobicContact SD-CB 4.41Å; M21-R31 HydrophobicContact SD-CG 4.34Å; M21-N35 WeakPolarHBondContact CE-ND2 3.35Å
22K97.1Very high95Very high125 Ų12555.8 Ų55.854%0.54333%0.329SS..Hα-helixtrans-64-42.7175.5-175.5-175.5175-172.70111.3D18 D19 Y20 L24 G25D18-K22 WeakPolarHBondContact O-CB 3.19Å; D18-K22 PolarHBondContact O-N 2.83Å; D19-K22 WeakPolarHBondContact O-CB 3.43Å; D19-K22 PolarHBondContact O-N 2.88Å; Y20-K22 VanDerWaalsContact C-N 3.28Å; Y20-K22 PolarHBondContact O-N 2.88Å; K22-L24 VanDerWaalsContact C-N 3.29Å; K22-L24 PolarHBondContact O-N 2.88Å; K22-G25 WeakPolarHBondContact O-CA 3.47Å; K22-G25 PolarHBondContact O-N 2.8Å
23A97.2Very high94.7Very high37 Ų3754.8 Ų54.831%0.30633%0.326SS..Hα-helixtrans-63.8-33.2176.700000112.6D19 Y20 G25 M122 V125D19-A23 WeakPolarHBondContact O-CB 3.37Å; D19-A23 PolarHBondContact O-N 3.46Å; Y20-A23 PolarHBondContact O-N 2.9Å; A23-G25 PolarHBondContact O-N 2.8Å; A23-M122 HydrophobicContact CB-CB 4.2Å; A23-M122 HydrophobicContact CB-CG 3.77Å; A23-V125 HydrophobicContact CB-CB 4.24Å; A23-V125 HydrophobicContact CB-CG2 4.01Å
24L96Very high94.3Very high13 Ų1353.6 Ų53.67%0.06832%0.32CS..Hα-helixtrans-68.2-16.3170.9-67.8178000113.6Y20 M21 K22 V26 W99 T104 M122Y20-L24 HydrophobicContact CD1-CD1 4.06Å; Y20-L24 HydrophobicContact CE1-CD1 3.4Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.4Å; Y20-L24 HydrophobicContact CE1-CG 4.19Å; Y20-L24 HydrophobicContact CE2-CD1 4.39Å; Y20-L24 HydrophobicContact CE2-CD2 4.46Å; Y20-L24 HydrophobicContact CE2-CG 4.38Å; Y20-L24 WeakPolarHBondContact O-CG 3.26Å; Y20-L24 PolarHBondContact O-N 2.85Å; M21-L24 WeakPolarHBondContact O-CB 3.41Å; M21-L24 PolarHBondContact O-N 2.78Å; K22-L24 VanDerWaalsContact C-N 3.29Å; K22-L24 PolarHBondContact O-N 2.88Å; L24-V26 HydrophobicContact CB-CG2 4.1Å; L24-W99 HydrophobicContact CD2-CH2 3.57Å; L24-W99 HydrophobicContact CD2-CZ2 4.01Å; L24-T104 HydrophobicContact CD2-CG2 4.06Å; L24-M122 HydrophobicContact CD2-CB 4.37Å; L24-M122 HydrophobicContact CD2-CG 4.03Å; L24-M122 HydrophobicContact CD2-SD 3.89Å
25G93.4Very high93.9Very high62 Ų6254.6 Ų54.664%0.63932%0.323SS*.THydrogen-bonded Turntrans91.612.8-175.100000114.4M21 K22 A23 G27M21-G25 PolarHBondContact O-N 3.45Å; K22-G25 WeakPolarHBondContact O-CA 3.47Å; K22-G25 PolarHBondContact O-N 2.8Å; A23-G25 PolarHBondContact O-N 2.8Å; G25-G27 PolarHBondContact O-N 2.84Å
26V93.8Very high93.5Very high14 Ų1459.7 Ų59.79%0.08534%0.335CS..  trans-67.6129.8179.6-1780000110.4M21 L24 T30 R31 D78M21-V26 HydrophobicContact CB-CB 4.04Å; M21-V26 HydrophobicContact CB-CG2 4.16Å; M21-V26 WeakPolarHBondContact O-CB 3.39Å; M21-V26 VanDerWaalsContact O-CG2 3.31Å; M21-V26 WeakPolarHBondContact O-CG2 3.35Å; M21-V26 PolarHBondContact O-N 2.8Å; L24-V26 HydrophobicContact CB-CG2 4.1Å; V26-T30 HydrophobicContact CG1-CG2 3.68Å; V26-R31 HydrophobicContact CB-CG 4Å; V26-R31 HydrophobicContact CG1-CG 3.78Å; V26-R31 WeakPolarHBondContact O-CD 3.46Å; V26-R31 PolarHBondContact O-NH1 3.33Å; V26-D78 HydrophobicContact CG2-CB 3.81Å; V26-D78 WeakPolarHBondContact CG2-OD2 3.47Å
27G93Very high93Very high42 Ų4257.4 Ų57.443%0.43332%0.324SS..  trans-62.8149179.900000114G25 A29 T30 R31G25-G27 PolarHBondContact O-N 2.84Å; G27-A29 VanDerWaalsContact C-N 3.34Å; G27-A29 PolarHBondContact O-N 2.78Å; G27-T30 PolarHBondContact O-N 3.24Å; G27-T30 VanDerWaalsContact O-N 3.13Å; G27-R31 WeakPolarHBondContact O-CG 3.4Å; G27-R31 PolarHBondContact O-N 3.07Å; G27-R31 VanDerWaalsContact O-N 3.12Å
28F91.9Very high92.6Very high130 Ų13063.4 Ų63.457%0.5735%0.35SS*.Hα-helixtrans-52.6-44.1-171.5176.8-100.7000114.4T30 R31 Q32F28-T30 PolarHBondContact O-N 3.45Å; F28-R31 PolarHBondContact O-N 3.04Å; F28-Q32 HydrophobicContact CD1-CG 4.35Å; F28-Q32 HydrophobicContact CE1-CG 3.9Å; F28-Q32 HydrophobicContact CE2-CG 4.21Å; F28-Q32 HydrophobicContact CZ-CG 3.82Å; F28-Q32 PolarHBondContact O-N 3.47Å
29A90.8Very high92.3Very high74 Ų7461.7 Ų61.761%0.61234%0.341SS*.Hα-helixtrans-61.6-45.8-179.700000112.1G27 R31 Q32 V33G27-A29 VanDerWaalsContact C-N 3.34Å; G27-A29 PolarHBondContact O-N 2.78Å; A29-R31 VanDerWaalsContact C-N 3.3Å; A29-R31 PolarHBondContact O-N 2.94Å; A29-Q32 PolarHBondContact O-N 2.83Å; A29-V33 PolarHBondContact O-N 2.86Å
30T89.4Confident92.1Very high82 Ų8259.4 Ų59.450%0.50333%0.331SS..Hα-helixtrans-62.6-38.4176.6-53.80000111.3V26 G27 F28 V33 G34V26-T30 HydrophobicContact CG1-CG2 3.68Å; G27-T30 PolarHBondContact O-N 3.24Å; G27-T30 VanDerWaalsContact O-N 3.13Å; F28-T30 PolarHBondContact O-N 3.45Å; T30-V33 PolarHBondContact O-N 3.01Å; T30-G34 PolarHBondContact O-N 2.85Å
31R93.7Very high92.1Very high31 Ų3159.4 Ų59.412%0.11733%0.331CS..Hα-helixtrans-64.4-41.7176.2-56.6-159.3-53.5-90.24.4112.6D18 M21 V26 G27 F28 A29 V33 G34 N35D18-R31 WeakPolarHBondContact O-CD 3.34Å; D18-R31 VanDerWaalsContact OD1-CB 3.25Å; D18-R31 WeakPolarHBondContact OD1-CB 3.35Å; D18-R31 IonicContact OD1-NE 3.38Å; D18-R31 PolarHBondContact OD1-NE 3.14Å; D18-R31 IonicContact OD2-NE 3.32Å; D18-R31 PolarHBondContact OD2-NE 2.83Å; D18-R31 IonicContact OD2-NH2 3.42Å; M21-R31 HydrophobicContact CB-CG 3.77Å; M21-R31 HydrophobicContact CE-CB 3.8Å; M21-R31 HydrophobicContact CE-CG 4.2Å; M21-R31 HydrophobicContact SD-CB 4.41Å; M21-R31 HydrophobicContact SD-CG 4.34Å; V26-R31 HydrophobicContact CB-CG 4Å; V26-R31 HydrophobicContact CG1-CG 3.78Å; V26-R31 WeakPolarHBondContact O-CD 3.46Å; V26-R31 PolarHBondContact O-NH1 3.33Å; G27-R31 WeakPolarHBondContact O-CG 3.4Å; G27-R31 PolarHBondContact O-N 3.07Å; G27-R31 VanDerWaalsContact O-N 3.12Å; F28-R31 PolarHBondContact O-N 3.04Å; A29-R31 VanDerWaalsContact C-N 3.3Å; A29-R31 PolarHBondContact O-N 2.94Å; R31-V33 VanDerWaalsContact C-N 3.32Å; R31-V33 PolarHBondContact O-N 3.1Å; R31-G34 PolarHBondContact O-N 2.83Å; R31-N35 PolarHBondContact O-N 2.84Å; R31-N35 PolarHBondContact O-ND2 3.48Å
32Q92.1Very high92.1Very high68 Ų6860.1 Ų60.132%0.31834%0.335SS..Hα-helixtrans-59.6-42176.6-75-65.3-42.600112.2F28 A29 R36F28-Q32 HydrophobicContact CD1-CG 4.35Å; F28-Q32 HydrophobicContact CE1-CG 3.9Å; F28-Q32 HydrophobicContact CE2-CG 4.21Å; F28-Q32 HydrophobicContact CZ-CG 3.82Å; F28-Q32 PolarHBondContact O-N 3.47Å; A29-Q32 PolarHBondContact O-N 2.83Å; Q32-R36 WeakPolarHBondContact O-CG 3.42Å
33V88.5Confident92.1Very high61 Ų6154.1 Ų54.137%0.3731%0.309SS..Hα-helixtrans-67.2-50.1174.5177.80000110.2A29 T30 R31 N35 R36 T37 F59A29-V33 PolarHBondContact O-N 2.86Å; T30-V33 PolarHBondContact O-N 3.01Å; R31-V33 VanDerWaalsContact C-N 3.32Å; R31-V33 PolarHBondContact O-N 3.1Å; V33-N35 PolarHBondContact O-N 2.98Å; V33-R36 PolarHBondContact O-N 2.79Å; V33-T37 HydrophobicContact CG1-CG2 4.33Å; V33-T37 WeakPolarHBondContact O-CG2 3.43Å; V33-T37 PolarHBondContact O-N 2.79Å; V33-F59 HydrophobicContact CG1-CD1 4.12Å; V33-F59 HydrophobicContact CG1-CD2 4.36Å; V33-F59 HydrophobicContact CG1-CE1 4.28Å; V33-F59 HydrophobicContact CG1-CG 4.16Å; V33-F59 HydrophobicContact CG1-CZ 4.47Å
34G86.9Confident92.1Very high15 Ų1556.2 Ų56.216%0.15532%0.315CS..Hα-helixtrans-54.5-45.6-177.600000113.7T30 R31 R36 T37T30-G34 PolarHBondContact O-N 2.85Å; R31-G34 PolarHBondContact O-N 2.83Å; G34-R36 VanDerWaalsContact C-N 3.28Å; G34-R36 PolarHBondContact O-N 2.88Å; G34-T37 PolarHBondContact O-N 2.84Å; G34-T37 PolarHBondContact O-OG1 2.76Å
35N88.6Confident92.1Very high58 Ų5858.9 Ų58.931%0.3133%0.328SS..Hα-helixtrans-66.4-27179-77.2-66.5000113.9D18 M21 R31 V33D18-N35 WeakPolarHBondContact CB-ND2 3.24Å; D18-N35 PolarHBondContact N-OD1 2.97Å; D18-N35 PolarHBondContact OD1-ND2 2.83Å; M21-N35 WeakPolarHBondContact CE-ND2 3.35Å; R31-N35 PolarHBondContact O-N 2.84Å; R31-N35 PolarHBondContact O-ND2 3.48Å; V33-N35 PolarHBondContact O-N 2.98Å
36R87.8Confident92.1Very high202 Ų20259.3 Ų59.376%0.76232%0.316SS*.Hα-helixtrans-85.1-19.2178.9-66.1177.2-170.1-171.64.3112.3Q32 V33 G34Q32-R36 WeakPolarHBondContact O-CG 3.42Å; V33-R36 PolarHBondContact O-N 2.79Å; G34-R36 VanDerWaalsContact C-N 3.28Å; G34-R36 PolarHBondContact O-N 2.88Å
37T86.8Confident92Very high30 Ų3067.1 Ų67.118%0.18436%0.357CS..  trans-78.2136.2177.961.70000111.9V33 G34 P39 F59V33-T37 HydrophobicContact CG1-CG2 4.33Å; V33-T37 WeakPolarHBondContact O-CG2 3.43Å; V33-T37 PolarHBondContact O-N 2.79Å; G34-T37 PolarHBondContact O-N 2.84Å; G34-T37 PolarHBondContact O-OG1 2.76Å; T37-P39 VanDerWaalsContact C-CD 3.46Å; T37-P39 VanDerWaalsContact O-CD 3.3Å; T37-P39 WeakPolarHBondContact O-CD 3.4Å; T37-F59 HydrophobicContact CG2-CB 4.42Å
38K88.6Confident91.9Very high150 Ų15073.1 Ų73.165%0.65237%0.374SS*.  trans-114.678.4170.4-65.3-174.2179.6-172.50108.9M11M11-K38 HydrophobicContact CB-CB 4.4Å
39P90.3Very high91.9Very high6 Ų668.4 Ų68.44%0.03936%0.362CS..  trans-67.2148.4-178.426.6-34.1000111.8M11 T37 Q56M11-P39 WeakPolarHBondContact CB-O 3.23Å; M11-P39 HydrophobicContact CE-CG 3.6Å; T37-P39 VanDerWaalsContact C-CD 3.46Å; T37-P39 VanDerWaalsContact O-CD 3.3Å; T37-P39 WeakPolarHBondContact O-CD 3.4Å; P39-Q56 CarbonylContact C-O 3.52Å; P39-Q56 WeakPolarHBondContact CA-O 3.47Å; P39-Q56 WeakPolarHBondContact CB-O 3.48Å
40S94.6Very high92.2Very high27 Ų2767.9 Ų67.919%0.18935%0.348CS..EExtended strand (participates in β ladder)trans-80.5133.9160.8-63.30000109.2W9 Q56W9-S40 CarbonylContact O-C 3.52Å; W9-S40 WeakPolarHBondContact O-CA 3.34Å; S40-Q56 PolarHBondContact N-O 2.6Å; S40-Q56 PolarHBondContact O-N 2.87Å
41L96.4Very high92.5Very high7 Ų764 Ų644%0.03732%0.324CS..EExtended strand (participates in β ladder)trans-102.2113.9173.1-179.271000108.3W9 I43 V53 K54 L116 Y131W9-L41 HydrophobicContact CB-CB 4.22Å; W9-L41 WeakPolarHBondContact CB-O 3.43Å; W9-L41 PolarHBondContact N-O 2.73Å; W9-L41 PolarHBondContact O-N 2.89Å; L41-I43 HydrophobicContact CD2-CD1 4.04Å; L41-I43 HydrophobicContact CD2-CG1 4.48Å; L41-I43 HydrophobicContact CG-CD1 4.26Å; L41-I43 HydrophobicContact CG-CG1 4.14Å; L41-V53 HydrophobicContact CD1-CG1 3.56Å; L41-K54 CarbonylContact C-O 3.59Å; L41-K54 WeakPolarHBondContact CA-O 3.17Å; L41-L116 HydrophobicContact CD2-CD1 4.25Å; L41-L116 HydrophobicContact CD2-CD2 4.3Å; L41-Y131 HydrophobicContact CB-CD1 4.19Å; L41-Y131 HydrophobicContact CB-CE1 3.84Å
42I97.3Very high92.7Very high28 Ų2863.6 Ų63.614%0.14433%0.325CS..EExtended strand (participates in β ladder)trans-108.4123.1-178.9-58.3157000107.3T8 N44 K54 Q56T8-I42 HydrophobicContact CG2-CG1 3.84Å; I42-N44 WeakPolarHBondContact CG2-ND2 3.4Å; I42-K54 HydrophobicContact CB-CB 4.24Å; I42-K54 HydrophobicContact CD1-CD 4.31Å; I42-K54 PolarHBondContact N-O 3.32Å; I42-K54 PolarHBondContact O-N 2.91Å; I42-Q56 HydrophobicContact CD1-CB 4.42Å
43I97.4Very high92.9Very high0 Ų060.7 Ų60.70%031%0.312CS..EExtended strand (participates in β ladder)trans-122.1123.6-179.3-54.1-178.8000108.2F5 V6 G7 L41 I51 C52 V53 L116F5-I43 HydrophobicContact CB-CD1 4.05Å; F5-I43 HydrophobicContact CB-CG2 4.47Å; F5-I43 WeakPolarHBondContact O-CB 3.48Å; V6-I43 WeakPolarHBondContact CA-O 3.48Å; G7-I43 PolarHBondContact N-O 3.25Å; G7-I43 PolarHBondContact O-N 2.96Å; L41-I43 HydrophobicContact CD2-CD1 4.04Å; L41-I43 HydrophobicContact CD2-CG1 4.48Å; L41-I43 HydrophobicContact CG-CD1 4.26Å; L41-I43 HydrophobicContact CG-CG1 4.14Å; I43-I51 HydrophobicContact CG2-CG2 4.26Å; I43-C52 WeakPolarHBondContact CA-O 3.49Å; I43-V53 HydrophobicContact CG1-CG1 4.48Å; I43-V53 HydrophobicContact CG1-CG2 4.21Å; I43-V53 HydrophobicContact CG2-CG2 4.27Å; I43-L116 HydrophobicContact CD1-CD1 4.33Å
44N96.6Very high93.2Very high81 Ų8160.5 Ų60.543%0.43331%0.306SS..EExtended strand (participates in β ladder)trans-127.1155.3176-61-63.8000110I42 I51 C52I42-N44 WeakPolarHBondContact CG2-ND2 3.4Å; N44-I51 CarbonylContact O-C 3.46Å; N44-I51 WeakPolarHBondContact O-CA 3.46Å; N44-C52 PolarHBondContact N-O 2.92Å; N44-C52 PolarHBondContact O-N 2.91Å
45M95.8Very high93.5Very high69 Ų6961.8 Ų61.834%0.3431%0.313SS..EExtended strand (participates in β ladder)trans-134.4133.8172.3-178.3177.465.800108V2 D3 V6 M50 I51V2-M45 HydrophobicContact CG1-CE 4.09Å; V2-M45 HydrophobicContact CG1-CG 4.47Å; V2-M45 HydrophobicContact CG1-SD 3.32Å; V2-M45 WeakPolarHBondContact CG1-SD 3.29Å; D3-M45 VanDerWaalsContact OD1-CE 3.3Å; D3-M45 WeakPolarHBondContact OD1-CE 3.41Å; V6-M45 HydrophobicContact CG2-CB 4.22Å; M45-M50 WeakPolarHBondContact CA-O 3.4Å; M45-I51 HydrophobicContact CB-CG1 4.41Å; M45-I51 HydrophobicContact CG-CG1 4.16Å; M45-I51 HydrophobicContact SD-CG1 4.44Å
46D94.2Very high93.6Very high70 Ų7063 Ų6337%0.37432%0.317SS..  trans-87.8172.917372.614.6000112.2Q48 G49 M50D46-Q48 PolarHBondContact O-N 2.84Å; D46-Q48 VanDerWaalsContact O-N 3.1Å; D46-Q48 WeakPolarHBondContact OD1-CA 3.09Å; D46-Q48 WeakPolarHBondContact OD1-CB 3.33Å; D46-Q48 PolarHBondContact OD1-N 2.83Å; D46-G49 PolarHBondContact O-N 2.78Å; D46-G49 PolarHBondContact OD1-N 2.91Å; D46-M50 PolarHBondContact N-O 2.93Å; D46-M50 WeakPolarHBondContact OD1-CB 3.45Å; D46-M50 PolarHBondContact OD1-N 2.99Å; D46-M50 VanDerWaalsContact OD2-CB 3.31Å; D46-M50 WeakPolarHBondContact OD2-CB 2.9Å
47D91.6Very high93.5Very high179 Ų17954.8 Ų54.896%0.95729%0.29SS*.THydrogen-bonded Turntrans-65.1-13.7-178.6-59.3-33.7000113.4
48Q91.7Very high93.2Very high167 Ų16760.7 Ų60.778%0.7833%0.327SS*.THydrogen-bonded Turntrans-95.41.9178.2-58-172-40.500112.4D46 M50D46-Q48 PolarHBondContact O-N 2.84Å; D46-Q48 VanDerWaalsContact O-N 3.1Å; D46-Q48 WeakPolarHBondContact OD1-CA 3.09Å; D46-Q48 WeakPolarHBondContact OD1-CB 3.33Å; D46-Q48 PolarHBondContact OD1-N 2.83Å; Q48-M50 VanDerWaalsContact C-N 3.34Å
49G90.8Very high92.5Very high32 Ų3260.9 Ų60.933%0.3333%0.328SS..  trans78.413.6-17900000114.2D46D46-G49 PolarHBondContact O-N 2.78Å; D46-G49 PolarHBondContact OD1-N 2.91Å
50M96.3Very high92Very high62 Ų6264.4 Ų64.431%0.30534%0.343SS..  trans-74.1125.2169.1-176.368.173.500108.9M45 D46 Q48 K65 F66 K67M45-M50 WeakPolarHBondContact CA-O 3.4Å; D46-M50 PolarHBondContact N-O 2.93Å; D46-M50 WeakPolarHBondContact OD1-CB 3.45Å; D46-M50 PolarHBondContact OD1-N 2.99Å; D46-M50 VanDerWaalsContact OD2-CB 3.31Å; D46-M50 WeakPolarHBondContact OD2-CB 2.9Å; Q48-M50 VanDerWaalsContact C-N 3.34Å; M50-K65 HydrophobicContact CG-CB 4.43Å; M50-K65 HydrophobicContact SD-CB 4.15Å; M50-F66 VanDerWaalsContact SD-C 3.53Å; M50-F66 VanDerWaalsContact SD-O 3.4Å; M50-K67 HydrophobicContact CE-CG 4.25Å; M50-K67 HydrophobicContact SD-CG 4.19Å
51I97.3Very high91.7Very high2 Ų266.4 Ų66.41%0.0135%0.354CS..EExtended strand (participates in β ladder)trans-101.2131.7179.7-61153.9000108.5V2 I43 N44 M45 V53 K65 F66 L68V2-I51 HydrophobicContact CB-CD1 4.42Å; V2-I51 HydrophobicContact CG1-CD1 4.16Å; V2-I51 HydrophobicContact CG1-CG1 4.27Å; V2-I51 HydrophobicContact CG2-CD1 3.91Å; I43-I51 HydrophobicContact CG2-CG2 4.26Å; N44-I51 CarbonylContact O-C 3.46Å; N44-I51 WeakPolarHBondContact O-CA 3.46Å; M45-I51 HydrophobicContact CB-CG1 4.41Å; M45-I51 HydrophobicContact CG-CG1 4.16Å; M45-I51 HydrophobicContact SD-CG1 4.44Å; I51-V53 HydrophobicContact CG2-CG2 4.18Å; I51-K65 CarbonylContact O-C 3.58Å; I51-K65 VanDerWaalsContact O-CA 3.29Å; I51-K65 WeakPolarHBondContact O-CA 3.29Å; I51-F66 HydrophobicContact CB-CD2 4.22Å; I51-F66 HydrophobicContact CB-CE1 4.36Å; I51-F66 HydrophobicContact CB-CE2 3.74Å; I51-F66 HydrophobicContact CB-CZ 3.83Å; I51-F66 HydrophobicContact CD1-CD2 4.38Å; I51-F66 HydrophobicContact CD1-CE2 3.73Å; I51-F66 HydrophobicContact CD1-CZ 4.42Å; I51-F66 HydrophobicContact CG1-CE2 4.38Å; I51-F66 HydrophobicContact CG2-CE1 4.01Å; I51-F66 HydrophobicContact CG2-CE2 3.86Å; I51-F66 HydrophobicContact CG2-CZ 3.44Å; I51-F66 VanDerWaalsContact CG2-CZ 3.44Å; I51-F66 PolarHBondContact N-O 2.81Å; I51-F66 PolarHBondContact O-N 3.05Å; I51-L68 HydrophobicContact CD1-CD1 4.14Å; I51-L68 HydrophobicContact CD1-CD2 3.87Å; I51-L68 HydrophobicContact CD1-CG 3.63Å
52C96.8Very high91.4Very high21 Ų2167.6 Ų67.614%0.14236%0.361CS..EExtended strand (participates in β ladder)trans-111.5123.6172.8-177.50000109.3I43 N44 I64 K65I43-C52 WeakPolarHBondContact CA-O 3.49Å; N44-C52 PolarHBondContact N-O 2.92Å; N44-C52 PolarHBondContact O-N 2.91Å; C52-I64 WeakPolarHBondContact CA-O 3.38Å; C52-K65 HydrophobicContact CB-CG 4.1Å
53V95.9Very high91.2Very high8 Ų870.7 Ų70.75%0.04838%0.375CS..EExtended strand (participates in β ladder)trans-115.2123.9172.8177.10000108.6L41 I43 I51 E63 I64 F66L41-V53 HydrophobicContact CD1-CG1 3.56Å; I43-V53 HydrophobicContact CG1-CG1 4.48Å; I43-V53 HydrophobicContact CG1-CG2 4.21Å; I43-V53 HydrophobicContact CG2-CG2 4.27Å; I51-V53 HydrophobicContact CG2-CG2 4.18Å; V53-E63 WeakPolarHBondContact O-CA 3.38Å; V53-I64 HydrophobicContact CB-CD1 4.28Å; V53-I64 HydrophobicContact CB-CG1 3.94Å; V53-I64 PolarHBondContact N-O 2.81Å; V53-I64 WeakPolarHBondContact O-CG1 3.29Å; V53-I64 PolarHBondContact O-N 3.1Å; V53-F66 HydrophobicContact CB-CE1 4.23Å; V53-F66 HydrophobicContact CG2-CE1 3.6Å; V53-F66 HydrophobicContact CG2-CZ 3.9Å
54K95.3Very high91.1Very high56 Ų5671.8 Ų71.824%0.24338%0.381CS..EExtended strand (participates in β ladder)trans-124.5121.9-178.9-179.1177-169.7160.10110.4L41 I42 T61 V62 E63L41-K54 CarbonylContact C-O 3.59Å; L41-K54 WeakPolarHBondContact CA-O 3.17Å; I42-K54 HydrophobicContact CB-CB 4.24Å; I42-K54 HydrophobicContact CD1-CD 4.31Å; I42-K54 PolarHBondContact N-O 3.32Å; I42-K54 PolarHBondContact O-N 2.91Å; K54-T61 HydrophobicContact CD-CG2 4.26Å; K54-T61 HydrophobicContact CG-CG2 3.97Å; K54-V62 CarbonylContact C-O 3.59Å; K54-V62 VanDerWaalsContact CA-O 3.31Å; K54-V62 WeakPolarHBondContact CA-O 3.3Å; K54-E63 HydrophobicContact CB-CG 4.34Å; K54-E63 HydrophobicContact CG-CB 4.39Å; K54-E63 IonicContact NZ-OE2 3.52Å
55S92.9Very high91.1Very high42 Ų4274 Ų7429%0.29439%0.386SS..EExtended strand (participates in β ladder)trans-101.2110.3171.11760000108.8T61 V62S55-T61 WeakPolarHBondContact O-CA 3.22Å; S55-V62 PolarHBondContact N-O 2.89Å; S55-V62 PolarHBondContact O-N 3.43Å
56Q91.8Very high91.2Very high84 Ų8470.9 Ų70.939%0.39337%0.371SS..EExtended strand (participates in β ladder)trans-113.2124.9-175.2-177.3176.255.200110.8P39 S40 I42 T61P39-Q56 CarbonylContact C-O 3.52Å; P39-Q56 WeakPolarHBondContact CA-O 3.47Å; P39-Q56 WeakPolarHBondContact CB-O 3.48Å; S40-Q56 PolarHBondContact N-O 2.6Å; S40-Q56 PolarHBondContact O-N 2.87Å; I42-Q56 HydrophobicContact CD1-CB 4.42Å; Q56-T61 HydrophobicContact CB-CG2 4.45Å
57S86.1Confident91.3Very high29 Ų2971.4 Ų71.420%0.20337%0.37CS..  trans-130.2173.7170.366.80000110.2F59 K60S57-F59 PolarHBondContact O-N 2.82Å; S57-F59 PolarHBondContact OG-N 3.09Å; S57-K60 PolarHBondContact N-O 2.93Å; S57-K60 PolarHBondContact OG-N 3.4Å; S57-K60 PolarHBondContact OG-O 3.2Å
58T79.3Confident91.6Very high155 Ų15565 Ų6595%0.95134%0.336SS*.SBendtrans-63.6-18.2170.6490000113.3
59F74.3Confident91.9Very high153 Ų15362.4 Ų62.467%0.67133%0.327SS*.SBendtrans-98.9-51.3-175.2-177.1-103.5000113.1V33 T37 S57V33-F59 HydrophobicContact CG1-CD1 4.12Å; V33-F59 HydrophobicContact CG1-CD2 4.36Å; V33-F59 HydrophobicContact CG1-CE1 4.28Å; V33-F59 HydrophobicContact CG1-CG 4.16Å; V33-F59 HydrophobicContact CG1-CZ 4.47Å; T37-F59 HydrophobicContact CG2-CB 4.42Å; S57-F59 PolarHBondContact O-N 2.82Å; S57-F59 PolarHBondContact OG-N 3.09Å
60K79.1Confident92.2Very high81 Ų8165.7 Ų65.735%0.35233%0.334SS..  trans-141.7144.8-177.4-169.3171.5-179.9175.50109.5S57 V62 A77 D79S57-K60 PolarHBondContact N-O 2.93Å; S57-K60 PolarHBondContact OG-N 3.4Å; S57-K60 PolarHBondContact OG-O 3.2Å; K60-V62 HydrophobicContact CD-CG2 4.17Å; K60-V62 HydrophobicContact CG-CG2 4.07Å; K60-A77 PolarHBondContact NZ-O 2.89Å; K60-D79 IonicContact NZ-OD1 3.54Å
61T87.9Confident92.3Very high69 Ų6967 Ų6742%0.42335%0.347SS..EExtended strand (participates in β ladder)trans-113.2130.1166.4-62.30000108K54 S55 Q56K54-T61 HydrophobicContact CD-CG2 4.26Å; K54-T61 HydrophobicContact CG-CG2 3.97Å; S55-T61 WeakPolarHBondContact O-CA 3.22Å; Q56-T61 HydrophobicContact CB-CG2 4.45Å
62V90.8Very high92.3Very high32 Ų3269 Ų6919%0.19436%0.355CS..EExtended strand (participates in β ladder)trans-122.2133.3174.7-178.60000107.7K54 S55 K60 A77K54-V62 CarbonylContact C-O 3.59Å; K54-V62 VanDerWaalsContact CA-O 3.31Å; K54-V62 WeakPolarHBondContact CA-O 3.3Å; S55-V62 PolarHBondContact N-O 2.89Å; S55-V62 PolarHBondContact O-N 3.43Å; K60-V62 HydrophobicContact CD-CG2 4.17Å; K60-V62 HydrophobicContact CG-CG2 4.07Å; V62-A77 HydrophobicContact CG2-CB 3.84Å
63E93.9Very high92.3Very high92 Ų9276.1 Ų76.143%0.4339%0.387SS..EExtended strand (participates in β ladder)trans-132.5133.7-178.3-174.9175.112600109.2V53 K54 K65V53-E63 WeakPolarHBondContact O-CA 3.38Å; K54-E63 HydrophobicContact CB-CG 4.34Å; K54-E63 HydrophobicContact CG-CB 4.39Å; K54-E63 IonicContact NZ-OE2 3.52Å; E63-K65 VanDerWaalsContact OE1-CE 3.25Å; E63-K65 WeakPolarHBondContact OE1-CE 3.41Å; E63-K65 IonicContact OE1-NZ 3.01Å
64I95.5Very high92.3Very high23 Ų2376.4 Ų76.412%0.11839%0.388CS..EExtended strand (participates in β ladder)trans-131.3145.517554.5168.2000109.7C52 V53 F66 E74 F86C52-I64 WeakPolarHBondContact CA-O 3.38Å; V53-I64 HydrophobicContact CB-CD1 4.28Å; V53-I64 HydrophobicContact CB-CG1 3.94Å; V53-I64 PolarHBondContact N-O 2.81Å; V53-I64 WeakPolarHBondContact O-CG1 3.29Å; V53-I64 PolarHBondContact O-N 3.1Å; I64-F66 HydrophobicContact CD1-CD1 4.19Å; I64-F66 HydrophobicContact CD1-CE1 4.16Å; I64-F66 HydrophobicContact CG1-CD1 4.4Å; I64-F66 HydrophobicContact CG1-CE1 4.46Å; I64-E74 HydrophobicContact CG2-CG 4.04Å; I64-F86 HydrophobicContact CD1-CE2 3.69Å; I64-F86 HydrophobicContact CD1-CZ 3.5Å; I64-F86 VanDerWaalsContact CD1-CZ 3.5Å
65K96.6Very high92.2Very high127 Ų12777.9 Ų77.955%0.55240%0.401SS*.EExtended strand (participates in β ladder)trans-126.4131.5175.9-65.6179.9-176177.30109M50 I51 C52 E63M50-K65 HydrophobicContact CG-CB 4.43Å; M50-K65 HydrophobicContact SD-CB 4.15Å; I51-K65 CarbonylContact O-C 3.58Å; I51-K65 VanDerWaalsContact O-CA 3.29Å; I51-K65 WeakPolarHBondContact O-CA 3.29Å; C52-K65 HydrophobicContact CB-CG 4.1Å; E63-K65 VanDerWaalsContact OE1-CE 3.25Å; E63-K65 WeakPolarHBondContact OE1-CE 3.41Å; E63-K65 IonicContact OE1-NZ 3.01Å
66F97Very high92.2Very high5 Ų576.1 Ų76.12%0.02239%0.389CS..EExtended strand (participates in β ladder)trans-153.4162.8-174.761.1-92.7000111.7M50 I51 V53 I64 L68 F72 F86M50-F66 VanDerWaalsContact SD-C 3.53Å; M50-F66 VanDerWaalsContact SD-O 3.4Å; I51-F66 HydrophobicContact CB-CD2 4.22Å; I51-F66 HydrophobicContact CB-CE1 4.36Å; I51-F66 HydrophobicContact CB-CE2 3.74Å; I51-F66 HydrophobicContact CB-CZ 3.83Å; I51-F66 HydrophobicContact CD1-CD2 4.38Å; I51-F66 HydrophobicContact CD1-CE2 3.73Å; I51-F66 HydrophobicContact CD1-CZ 4.42Å; I51-F66 HydrophobicContact CG1-CE2 4.38Å; I51-F66 HydrophobicContact CG2-CE1 4.01Å; I51-F66 HydrophobicContact CG2-CE2 3.86Å; I51-F66 HydrophobicContact CG2-CZ 3.44Å; I51-F66 VanDerWaalsContact CG2-CZ 3.44Å; I51-F66 PolarHBondContact N-O 2.81Å; I51-F66 PolarHBondContact O-N 3.05Å; V53-F66 HydrophobicContact CB-CE1 4.23Å; V53-F66 HydrophobicContact CG2-CE1 3.6Å; V53-F66 HydrophobicContact CG2-CZ 3.9Å; I64-F66 HydrophobicContact CD1-CD1 4.19Å; I64-F66 HydrophobicContact CD1-CE1 4.16Å; I64-F66 HydrophobicContact CG1-CD1 4.4Å; I64-F66 HydrophobicContact CG1-CE1 4.46Å; F66-L68 HydrophobicContact CE2-CD2 4.23Å; F66-F72 HydrophobicContact CB-CD1 3.83Å; F66-F72 HydrophobicContact CB-CE1 3.47Å; F66-F72 VanDerWaalsContact CB-CE1 3.47Å; F66-F72 HydrophobicContact CB-CZ 3.93Å; F66-F72 HydrophobicContact CD1-CE1 4.49Å; F66-F72 HydrophobicContact CD1-CZ 4.39Å; F66-F72 HydrophobicContact CG-CE1 4.15Å; F66-F72 HydrophobicContact CG-CZ 4.47Å; F66-F86 HydrophobicContact CB-CD2 4.46Å; F66-F86 AromaticContact CD1-CD2 3.74Å; F66-F86 HydrophobicContact CD1-CD2 3.74Å; F66-F86 AromaticContact CD1-CE2 3.68Å; F66-F86 HydrophobicContact CD1-CE2 3.68Å; F66-F86 HydrophobicContact CD1-CG 4.24Å; F66-F86 HydrophobicContact CD1-CZ 4.1Å; F66-F86 HydrophobicContact CD2-CB 3.54Å; F66-F86 HydrophobicContact CD2-CD1 4.38Å; F66-F86 AromaticContact CD2-CD2 3.71Å; F66-F86 HydrophobicContact CD2-CD2 3.71Å; F66-F86 HydrophobicContact CD2-CE2 4.47Å; F66-F86 AromaticContact CD2-CG 3.64Å; F66-F86 HydrophobicContact CD2-CG 3.64Å; F66-F86 AromaticContact CE1-CD1 3.92Å; F66-F86 HydrophobicContact CE1-CD1 3.92Å; F66-F86 AromaticContact CE1-CD2 3.78Å; F66-F86 HydrophobicContact CE1-CD2 3.78Å; F66-F86 AromaticContact CE1-CE1 3.72Å; F66-F86 HydrophobicContact CE1-CE1 3.72Å; F66-F86 AromaticContact CE1-CE2 3.62Å; F66-F86 HydrophobicContact CE1-CE2 3.62Å; F66-F86 AromaticContact CE1-CG 3.92Å; F66-F86 HydrophobicContact CE1-CG 3.92Å; F66-F86 AromaticContact CE1-CZ 3.56Å; F66-F86 HydrophobicContact CE1-CZ 3.56Å; F66-F86 HydrophobicContact CE2-CB 3.32Å; F66-F86 AromaticContact CE2-CD1 3.61Å; F66-F86 HydrophobicContact CE2-CD1 3.61Å; F66-F86 AromaticContact CE2-CD2 3.77Å; F66-F86 HydrophobicContact CE2-CD2 3.77Å; F66-F86 HydrophobicContact CE2-CE1 4.27Å; F66-F86 HydrophobicContact CE2-CE2 4.44Å; F66-F86 AromaticContact CE2-CG 3.29Å; F66-F86 HydrophobicContact CE2-CG 3.29Å; F66-F86 HydrophobicContact CG-CB 4.39Å; F66-F86 AromaticContact CG-CD2 3.7Å; F66-F86 HydrophobicContact CG-CD2 3.7Å; F66-F86 HydrophobicContact CG-CE2 4.12Å; F66-F86 HydrophobicContact CG-CG 4.11Å; F66-F86 HydrophobicContact CZ-CB 4Å; F66-F86 AromaticContact CZ-CD1 3.33Å; F66-F86 HydrophobicContact CZ-CD1 3.33Å; F66-F86 AromaticContact CZ-CD2 3.81Å; F66-F86 HydrophobicContact CZ-CD2 3.81Å; F66-F86 AromaticContact CZ-CE1 3.54Å; F66-F86 HydrophobicContact CZ-CE1 3.54Å; F66-F86 HydrophobicContact CZ-CE2 4.03Å; F66-F86 AromaticContact CZ-CG 3.44Å; F66-F86 HydrophobicContact CZ-CG 3.44Å; F66-F86 VanDerWaalsContact CZ-CG 3.44Å; F66-F86 AromaticContact CZ-CZ 3.88Å; F66-F86 HydrophobicContact CZ-CZ 3.88Å
67K96.9Very high91.9Very high81 Ų8174.8 Ų74.835%0.35239%0.392SS..  trans-106.2150164.2-70.5-179.6176.9179.70109.6M50 E70M50-K67 HydrophobicContact CE-CG 4.25Å; M50-K67 HydrophobicContact SD-CG 4.19Å; K67-E70 HydrophobicContact CB-CB 4.18Å; K67-E70 HydrophobicContact CB-CG 4.12Å; K67-E70 VanDerWaalsContact CD-OE1 3.26Å; K67-E70 WeakPolarHBondContact CD-OE1 3.48Å; K67-E70 WeakPolarHBondContact CD-OE2 3.31Å; K67-E70 PolarHBondContact O-N 3.36Å
68L97Very high92.1Very high45 Ų4575.5 Ų75.524%0.23639%0.394CS..THydrogen-bonded Turntrans-64.4140.2175.8-67174.6000110.3I51 F66 E70 F86 L88 L93I51-L68 HydrophobicContact CD1-CD1 4.14Å; I51-L68 HydrophobicContact CD1-CD2 3.87Å; I51-L68 HydrophobicContact CD1-CG 3.63Å; F66-L68 HydrophobicContact CE2-CD2 4.23Å; L68-E70 PolarHBondContact O-N 2.96Å; L68-F86 CarbonylContact C-O 3.53Å; L68-F86 WeakPolarHBondContact CA-O 3.32Å; L68-F86 HydrophobicContact CD2-CB 4.03Å; L68-L88 HydrophobicContact CD1-CD1 3.62Å; L68-L88 HydrophobicContact CD1-CG 3.88Å; L68-L88 HydrophobicContact CD2-CG 4.45Å; L68-L93 HydrophobicContact CD2-CD1 3.8Å
69N97.5Very high92.6Very high111 Ų11173.7 Ų73.759%0.59438%0.378SS*.THydrogen-bonded Turntrans64.611.2179-42.5-67.7000115.1F86 T87N69-F86 PolarHBondContact N-O 2.88Å; N69-T87 WeakPolarHBondContact OD1-CG2 3.38Å
70E97.9Very high93.5Very high102 Ų10267.9 Ų67.948%0.47735%0.352SS..  trans-109.1114174.5-67.6-177.4-153.600109.5K67 L68K67-E70 HydrophobicContact CB-CB 4.18Å; K67-E70 HydrophobicContact CB-CG 4.12Å; K67-E70 VanDerWaalsContact CD-OE1 3.26Å; K67-E70 WeakPolarHBondContact CD-OE1 3.48Å; K67-E70 WeakPolarHBondContact CD-OE2 3.31Å; K67-E70 PolarHBondContact O-N 3.36Å; L68-E70 PolarHBondContact O-N 2.96Å
71P97.8Very high94.2Very high89 Ų8972.3 Ų72.358%0.57837%0.371SS*.  trans-64.7143.3174-2133000112M83 T84 V85P71-M83 HydrophobicContact CB-CG 4.21Å; P71-M83 HydrophobicContact CB-SD 3.82Å; P71-T84 CarbonylContact C-O 3.56Å; P71-T84 VanDerWaalsContact CA-O 3.3Å; P71-T84 WeakPolarHBondContact CA-O 3.43Å; P71-V85 HydrophobicContact CG-CB 4.47Å; P71-V85 HydrophobicContact CG-CG2 4.46Å
72F97.8Very high94.7Very high43 Ų4369.4 Ų69.419%0.18935%0.353CS..EExtended strand (participates in β ladder)trans-146.3159.5176.870.2-77.1000111.7F66 E74 T84 F86F66-F72 HydrophobicContact CB-CD1 3.83Å; F66-F72 HydrophobicContact CB-CE1 3.47Å; F66-F72 VanDerWaalsContact CB-CE1 3.47Å; F66-F72 HydrophobicContact CB-CZ 3.93Å; F66-F72 HydrophobicContact CD1-CE1 4.49Å; F66-F72 HydrophobicContact CD1-CZ 4.39Å; F66-F72 HydrophobicContact CG-CE1 4.15Å; F66-F72 HydrophobicContact CG-CZ 4.47Å; F72-E74 HydrophobicContact CD2-CB 4.42Å; F72-E74 HydrophobicContact CE2-CB 3.81Å; F72-E74 HydrophobicContact CE2-CG 4.41Å; F72-E74 HydrophobicContact CZ-CB 4.34Å; F72-T84 WeakPolarHBondContact CD1-O 3.01Å; F72-T84 HydrophobicContact CE1-CG2 3.76Å; F72-T84 HydrophobicContact CZ-CG2 3.84Å; F72-T84 PolarHBondContact N-O 2.93Å; F72-T84 PolarHBondContact O-N 3.23Å; F72-F86 AromaticContact CE1-CD2 3.91Å; F72-F86 HydrophobicContact CE1-CD2 3.91Å; F72-F86 HydrophobicContact CE1-CE2 4.06Å; F72-F86 HydrophobicContact CZ-CD2 4.32Å; F72-F86 HydrophobicContact CZ-CE2 4Å
73E97.4Very high95Very high171 Ų17172.5 Ų72.580%0.79937%0.367SS*.EExtended strand (participates in β ladder)trans-76.4124.4173.2-64-171.8164.900110.6M83E73-M83 HydrophobicContact CG-CE 4.45Å
74E95.5Very high95.3Very high15 Ų1568.1 Ų68.17%0.0735%0.346CS..EExtended strand (participates in β ladder)trans-119.3130.4176.4179.2-175.4-174.200109.6I64 F72 T76 T82 T84 Q95 Q97I64-E74 HydrophobicContact CG2-CG 4.04Å; F72-E74 HydrophobicContact CD2-CB 4.42Å; F72-E74 HydrophobicContact CE2-CB 3.81Å; F72-E74 HydrophobicContact CE2-CG 4.41Å; F72-E74 HydrophobicContact CZ-CB 4.34Å; E74-T76 HydrophobicContact CG-CG2 4.3Å; E74-T82 PolarHBondContact N-O 2.88Å; E74-T82 PolarHBondContact O-N 2.92Å; E74-T82 PolarHBondContact O-OG1 2.62Å; E74-T84 WeakPolarHBondContact CB-OG1 3.37Å; E74-T84 VanDerWaalsContact OE2-CB 3.29Å; E74-T84 WeakPolarHBondContact OE2-CB 3.46Å; E74-T84 VanDerWaalsContact OE2-CG2 3.25Å; E74-T84 WeakPolarHBondContact OE2-CG2 3.48Å; E74-T84 PolarHBondContact OE2-OG1 2.86Å; E74-Q95 PolarHBondContact OE2-NE2 3.05Å; E74-Q97 VanDerWaalsContact CD-NE2 3.25Å; E74-Q97 PolarHBondContact OE1-NE2 3.28Å; E74-Q97 PolarHBondContact OE2-NE2 2.95Å
75T93.9Very high95.4Very high87 Ų8768.5 Ų68.553%0.53435%0.35SS..EExtended strand (participates in β ladder)trans-94.3112.8161-58.20000108.4R80T75-R80 WeakPolarHBondContact CA-O 3.4Å
76T91.6Very high95.5Very high5 Ų562.5 Ų62.53%0.03132%0.323CS..  trans-75.4169.2-173.766.90000112E74 D78 D79 R80 T82E74-T76 HydrophobicContact CG-CG2 4.3Å; T76-D78 VanDerWaalsContact CB-OD1 3.24Å; T76-D78 WeakPolarHBondContact CB-OD1 3.33Å; T76-D78 PolarHBondContact O-N 2.81Å; T76-D78 VanDerWaalsContact O-N 3.15Å; T76-D78 PolarHBondContact OG1-OD1 2.81Å; T76-D79 PolarHBondContact O-N 3.02Å; T76-R80 HydrophobicContact CG2-CB 4.33Å; T76-R80 PolarHBondContact N-O 3.23Å; T76-R80 WeakPolarHBondContact OG1-CB 3.38Å; T76-R80 PolarHBondContact OG1-N 3.21Å; T76-R80 VanDerWaalsContact OG1-N 3.09Å; T76-R80 PolarHBondContact OG1-O 3.18Å; T76-T82 HydrophobicContact CG2-CG2 3.82Å
77A87.2Confident95.5Very high56 Ų5663.1 Ų63.146%0.46333%0.328SS..THydrogen-bonded Turntrans-59.4-27.1179.400000113.8K60 V62K60-A77 PolarHBondContact NZ-O 2.89Å; V62-A77 HydrophobicContact CG2-CB 3.84Å
78D88.6Confident95.5Very high43 Ų4362.1 Ų62.123%0.2333%0.326CS..THydrogen-bonded Turntrans-97.720.117661.1-40.8000113.3V26 T76 R80V26-D78 HydrophobicContact CG2-CB 3.81Å; V26-D78 WeakPolarHBondContact CG2-OD2 3.47Å; T76-D78 VanDerWaalsContact CB-OD1 3.24Å; T76-D78 WeakPolarHBondContact CB-OD1 3.33Å; T76-D78 PolarHBondContact O-N 2.81Å; T76-D78 VanDerWaalsContact O-N 3.15Å; T76-D78 PolarHBondContact OG1-OD1 2.81Å; D78-R80 VanDerWaalsContact C-N 3.27Å; D78-R80 PolarHBondContact O-N 2.79Å; D78-R80 IonicContact OD1-CZ 2.83Å; D78-R80 IonicContact OD1-NE 3.81Å; D78-R80 PolarHBondContact OD1-NE 2.81Å; D78-R80 IonicContact OD1-NH2 2.6Å; D78-R80 PolarHBondContact OD1-NH2 2.84Å; D78-R80 IonicContact OD2-CZ 3.38Å; D78-R80 IonicContact OD2-NE 3.82Å; D78-R80 PolarHBondContact OD2-NE 2.97Å; D78-R80 IonicContact OD2-NH2 3.57Å; D78-R80 PolarHBondContact OD2-NH2 2.97Å
79D89.8Confident95.5Very high118 Ų11863.4 Ų63.463%0.63133%0.331SS*.  trans65.218.4171.2-51.8-41.6000115.6K60 T76K60-D79 IonicContact NZ-OD1 3.54Å; T76-D79 PolarHBondContact O-N 3.02Å
80R92.9Very high95.3Very high30 Ų3066.3 Ų66.311%0.11335%0.346CS..  trans-72.9138.4168-64.7178.1-75.4118.213.8109.5T75 T76 D78 T82T75-R80 WeakPolarHBondContact CA-O 3.4Å; T76-R80 HydrophobicContact CG2-CB 4.33Å; T76-R80 PolarHBondContact N-O 3.23Å; T76-R80 WeakPolarHBondContact OG1-CB 3.38Å; T76-R80 PolarHBondContact OG1-N 3.21Å; T76-R80 VanDerWaalsContact OG1-N 3.09Å; T76-R80 PolarHBondContact OG1-O 3.18Å; D78-R80 VanDerWaalsContact C-N 3.27Å; D78-R80 PolarHBondContact O-N 2.79Å; D78-R80 IonicContact OD1-CZ 2.83Å; D78-R80 IonicContact OD1-NE 3.81Å; D78-R80 PolarHBondContact OD1-NE 2.81Å; D78-R80 IonicContact OD1-NH2 2.6Å; D78-R80 PolarHBondContact OD1-NH2 2.84Å; D78-R80 IonicContact OD2-CZ 3.38Å; D78-R80 IonicContact OD2-NE 3.82Å; D78-R80 PolarHBondContact OD2-NE 2.97Å; D78-R80 IonicContact OD2-NH2 3.57Å; D78-R80 PolarHBondContact OD2-NH2 2.97Å; R80-T82 HydrophobicContact CB-CG2 3.98Å
81K95.4Very high95.1Very high175 Ų17562.8 Ų62.876%0.76134%0.337SS*.EExtended strand (participates in β ladder)trans-91.7118.6166.7-63.6-173.7179.4-1730108.1W99K81-W99 WeakPolarHBondContact O-CB 3.44Å
82T97.4Very high95.1Very high8 Ų859.5 Ų59.55%0.04932%0.315CS..EExtended strand (participates in β ladder)trans-128.8150.2-173.460.40000110.4E74 T76 R80 T84 Q97 N98 W99E74-T82 PolarHBondContact N-O 2.88Å; E74-T82 PolarHBondContact O-N 2.92Å; E74-T82 PolarHBondContact O-OG1 2.62Å; T76-T82 HydrophobicContact CG2-CG2 3.82Å; R80-T82 HydrophobicContact CB-CG2 3.98Å; T82-T84 PolarHBondContact OG1-OG1 3.25Å; T82-T84 VanDerWaalsContact OG1-OG1 3.12Å; T82-Q97 HydrophobicContact CG2-CB 4.18Å; T82-N98 CarbonylContact C-O 3.54Å; T82-N98 WeakPolarHBondContact CA-O 3.29Å; T82-W99 HydrophobicContact CG2-CB 4.05Å; T82-W99 HydrophobicContact CG2-CD2 4.18Å; T82-W99 HydrophobicContact CG2-CE3 3.93Å; T82-W99 HydrophobicContact CG2-CG 4.24Å
83M98.3Very high95.1Very high97 Ų9757.4 Ų57.448%0.47831%0.306SS..EExtended strand (participates in β ladder)trans-88.7116159.4-174.565.166.100107.3P71 E73 N98P71-M83 HydrophobicContact CB-CG 4.21Å; P71-M83 HydrophobicContact CB-SD 3.82Å; E73-M83 HydrophobicContact CG-CE 4.45Å; M83-N98 PolarHBondContact N-O 3.12Å; M83-N98 PolarHBondContact O-N 3.04Å
84T98.4Very high95.1Very high0 Ų049.5 Ų49.50%027%0.269CS..EExtended strand (participates in β ladder)trans-115140.3-174.5-65.40000110.9P71 F72 E74 T82 F86 Q95 K96 Q97P71-T84 CarbonylContact C-O 3.56Å; P71-T84 VanDerWaalsContact CA-O 3.3Å; P71-T84 WeakPolarHBondContact CA-O 3.43Å; F72-T84 WeakPolarHBondContact CD1-O 3.01Å; F72-T84 HydrophobicContact CE1-CG2 3.76Å; F72-T84 HydrophobicContact CZ-CG2 3.84Å; F72-T84 PolarHBondContact N-O 2.93Å; F72-T84 PolarHBondContact O-N 3.23Å; E74-T84 WeakPolarHBondContact CB-OG1 3.37Å; E74-T84 VanDerWaalsContact OE2-CB 3.29Å; E74-T84 WeakPolarHBondContact OE2-CB 3.46Å; E74-T84 VanDerWaalsContact OE2-CG2 3.25Å; E74-T84 WeakPolarHBondContact OE2-CG2 3.48Å; E74-T84 PolarHBondContact OE2-OG1 2.86Å; T82-T84 PolarHBondContact OG1-OG1 3.25Å; T82-T84 VanDerWaalsContact OG1-OG1 3.12Å; T84-F86 HydrophobicContact CG2-CD2 3.97Å; T84-F86 HydrophobicContact CG2-CE2 3.7Å; T84-Q95 HydrophobicContact CG2-CG 3.81Å; T84-K96 VanDerWaalsContact CA-O 3.29Å; T84-K96 WeakPolarHBondContact CA-O 3.49Å; T84-Q97 HydrophobicContact CG2-CG 4.22Å
85V98.5Very high95.3Very high31 Ų3149 Ų4919%0.18827%0.266CS..EExtended strand (participates in β ladder)trans-131.2139.5169.263.60000110P71 T87 K96P71-V85 HydrophobicContact CG-CB 4.47Å; P71-V85 HydrophobicContact CG-CG2 4.46Å; V85-T87 HydrophobicContact CG2-CG2 4.18Å; V85-K96 HydrophobicContact CG1-CB 4.06Å; V85-K96 PolarHBondContact N-O 3.33Å; V85-K96 PolarHBondContact O-N 2.94Å
86F98.4Very high95.5Very high0 Ų047.3 Ų47.30%025%0.252CS..EExtended strand (participates in β ladder)trans-107.1131.1170.5-77.9-105.6000110.1I64 F66 L68 N69 F72 T84 L93 V94 Q95I64-F86 HydrophobicContact CD1-CE2 3.69Å; I64-F86 HydrophobicContact CD1-CZ 3.5Å; I64-F86 VanDerWaalsContact CD1-CZ 3.5Å; F66-F86 HydrophobicContact CB-CD2 4.46Å; F66-F86 AromaticContact CD1-CD2 3.74Å; F66-F86 HydrophobicContact CD1-CD2 3.74Å; F66-F86 AromaticContact CD1-CE2 3.68Å; F66-F86 HydrophobicContact CD1-CE2 3.68Å; F66-F86 HydrophobicContact CD1-CG 4.24Å; F66-F86 HydrophobicContact CD1-CZ 4.1Å; F66-F86 HydrophobicContact CD2-CB 3.54Å; F66-F86 HydrophobicContact CD2-CD1 4.38Å; F66-F86 AromaticContact CD2-CD2 3.71Å; F66-F86 HydrophobicContact CD2-CD2 3.71Å; F66-F86 HydrophobicContact CD2-CE2 4.47Å; F66-F86 AromaticContact CD2-CG 3.64Å; F66-F86 HydrophobicContact CD2-CG 3.64Å; F66-F86 AromaticContact CE1-CD1 3.92Å; F66-F86 HydrophobicContact CE1-CD1 3.92Å; F66-F86 AromaticContact CE1-CD2 3.78Å; F66-F86 HydrophobicContact CE1-CD2 3.78Å; F66-F86 AromaticContact CE1-CE1 3.72Å; F66-F86 HydrophobicContact CE1-CE1 3.72Å; F66-F86 AromaticContact CE1-CE2 3.62Å; F66-F86 HydrophobicContact CE1-CE2 3.62Å; F66-F86 AromaticContact CE1-CG 3.92Å; F66-F86 HydrophobicContact CE1-CG 3.92Å; F66-F86 AromaticContact CE1-CZ 3.56Å; F66-F86 HydrophobicContact CE1-CZ 3.56Å; F66-F86 HydrophobicContact CE2-CB 3.32Å; F66-F86 AromaticContact CE2-CD1 3.61Å; F66-F86 HydrophobicContact CE2-CD1 3.61Å; F66-F86 AromaticContact CE2-CD2 3.77Å; F66-F86 HydrophobicContact CE2-CD2 3.77Å; F66-F86 HydrophobicContact CE2-CE1 4.27Å; F66-F86 HydrophobicContact CE2-CE2 4.44Å; F66-F86 AromaticContact CE2-CG 3.29Å; F66-F86 HydrophobicContact CE2-CG 3.29Å; F66-F86 HydrophobicContact CG-CB 4.39Å; F66-F86 AromaticContact CG-CD2 3.7Å; F66-F86 HydrophobicContact CG-CD2 3.7Å; F66-F86 HydrophobicContact CG-CE2 4.12Å; F66-F86 HydrophobicContact CG-CG 4.11Å; F66-F86 HydrophobicContact CZ-CB 4Å; F66-F86 AromaticContact CZ-CD1 3.33Å; F66-F86 HydrophobicContact CZ-CD1 3.33Å; F66-F86 AromaticContact CZ-CD2 3.81Å; F66-F86 HydrophobicContact CZ-CD2 3.81Å; F66-F86 AromaticContact CZ-CE1 3.54Å; F66-F86 HydrophobicContact CZ-CE1 3.54Å; F66-F86 HydrophobicContact CZ-CE2 4.03Å; F66-F86 AromaticContact CZ-CG 3.44Å; F66-F86 HydrophobicContact CZ-CG 3.44Å; F66-F86 VanDerWaalsContact CZ-CG 3.44Å; F66-F86 AromaticContact CZ-CZ 3.88Å; F66-F86 HydrophobicContact CZ-CZ 3.88Å; L68-F86 CarbonylContact C-O 3.53Å; L68-F86 WeakPolarHBondContact CA-O 3.32Å; L68-F86 HydrophobicContact CD2-CB 4.03Å; N69-F86 PolarHBondContact N-O 2.88Å; F72-F86 AromaticContact CE1-CD2 3.91Å; F72-F86 HydrophobicContact CE1-CD2 3.91Å; F72-F86 HydrophobicContact CE1-CE2 4.06Å; F72-F86 HydrophobicContact CZ-CD2 4.32Å; F72-F86 HydrophobicContact CZ-CE2 4Å; T84-F86 HydrophobicContact CG2-CD2 3.97Å; T84-F86 HydrophobicContact CG2-CE2 3.7Å; F86-L93 HydrophobicContact CB-CD1 4.42Å; F86-L93 HydrophobicContact CD1-CD1 3.95Å; F86-L93 HydrophobicContact CD1-CD2 4.36Å; F86-L93 HydrophobicContact CD1-CG 4.07Å; F86-V94 CarbonylContact C-O 3.51Å; F86-V94 VanDerWaalsContact CA-O 3.26Å; F86-V94 WeakPolarHBondContact CA-O 3.5Å; F86-Q95 HydrophobicContact CD1-CB 3.83Å; F86-Q95 HydrophobicContact CD1-CG 4.3Å; F86-Q95 HydrophobicContact CD2-CB 4.48Å; F86-Q95 HydrophobicContact CD2-CG 4.17Å; F86-Q95 HydrophobicContact CE1-CB 3.55Å; F86-Q95 HydrophobicContact CE1-CG 3.79Å; F86-Q95 HydrophobicContact CE2-CB 4.21Å; F86-Q95 HydrophobicContact CE2-CG 3.6Å; F86-Q95 HydrophobicContact CG-CB 4.32Å; F86-Q95 HydrophobicContact CZ-CB 3.75Å; F86-Q95 HydrophobicContact CZ-CG 3.41Å; F86-Q95 VanDerWaalsContact CZ-CG 3.41Å
87T98.1Very high95.8Very high18 Ų1847.4 Ų47.411%0.1125%0.252CS..EExtended strand (participates in β ladder)trans-127.9158.4177.957.50000110.3N69 V85 E89 V94N69-T87 WeakPolarHBondContact OD1-CG2 3.38Å; V85-T87 HydrophobicContact CG2-CG2 4.18Å; T87-E89 PolarHBondContact OG1-OE1 3.05Å; T87-V94 PolarHBondContact N-O 2.81Å; T87-V94 PolarHBondContact O-N 3.36Å
88L96.8Very high96.3Very high60 Ų6047.8 Ų47.831%0.31425%0.246SC..EExtended strand (participates in β ladder)trans-104.5108.9166.7-83.2175.1000108.6V2 F5 L68 N92 L93V2-L88 HydrophobicContact CB-CD1 4.28Å; F5-L88 HydrophobicContact CE2-CD2 4.16Å; L68-L88 HydrophobicContact CD1-CD1 3.62Å; L68-L88 HydrophobicContact CD1-CG 3.88Å; L68-L88 HydrophobicContact CD2-CG 4.45Å; L88-N92 WeakPolarHBondContact CA-O 3.34Å; L88-L93 HydrophobicContact CD2-CB 4.31Å; L88-L93 HydrophobicContact CD2-CD1 4.36Å
89E96Very high96.7Very high73 Ų7346.8 Ų46.834%0.34124%0.239SC..EExtended strand (participates in β ladder)trans-119.3118.5-177.2-62178.4-164.600108.4T87 G91 N92 V94 K96T87-E89 PolarHBondContact OG1-OE1 3.05Å; E89-G91 PolarHBondContact O-N 3.36Å; E89-N92 PolarHBondContact N-O 3.19Å; E89-N92 WeakPolarHBondContact O-CB 3.34Å; E89-N92 PolarHBondContact O-N 2.83Å; E89-V94 HydrophobicContact CB-CG2 3.91Å; E89-V94 HydrophobicContact CG-CG2 4.14Å; E89-K96 IonicContact OE1-NZ 3.65Å; E89-K96 PolarHBondContact OE1-NZ 3.35Å; E89-K96 IonicContact OE2-NZ 2.74Å
90N93.1Very high97Very high172 Ų17248.6 Ų48.692%0.9225%0.249SC*.THydrogen-bonded Turntrans52.228.8-177.6-57.1-40000114.5N92N90-N92 VanDerWaalsContact C-N 3.32Å
91G93.9Very high97.1Very high27 Ų2751.3 Ų51.328%0.27829%0.286SS..THydrogen-bonded Turntrans85.5-2.7-176.700000114.6K4 E89K4-G91 WeakPolarHBondContact CE-O 3.14Å; K4-G91 PolarHBondContact NZ-O 2.85Å; E89-G91 PolarHBondContact O-N 3.36Å
92N97.2Very high97.1Very high20 Ų2047.9 Ų47.911%0.10727%0.271CS..EExtended strand (participates in β ladder)trans-91.2143.3174.5-65.2-12.4000110.5L88 E89 N90 V94 E107 R108L88-N92 WeakPolarHBondContact CA-O 3.34Å; E89-N92 PolarHBondContact N-O 3.19Å; E89-N92 WeakPolarHBondContact O-CB 3.34Å; E89-N92 PolarHBondContact O-N 2.83Å; N90-N92 VanDerWaalsContact C-N 3.32Å; N92-V94 HydrophobicContact CB-CG2 4.46Å; N92-V94 PolarHBondContact O-N 3.27Å; N92-E107 HydrophobicContact CB-CG 3.94Å; N92-E107 PolarHBondContact ND2-OE1 3.24Å; N92-R108 CarbonylContact C-O 3.58Å; N92-R108 WeakPolarHBondContact CA-O 3.41Å
93L98Very high97.1Very high0 Ų051.6 Ų51.60%029%0.288CS..EExtended strand (participates in β ladder)trans-88.6105.4174.3178.566.4000108.2V2 F5 L68 F86 L88 R108V2-L93 HydrophobicContact CG2-CD1 4.2Å; V2-L93 HydrophobicContact CG2-CD2 4.49Å; F5-L93 HydrophobicContact CD1-CB 4.4Å; F5-L93 HydrophobicContact CD2-CB 4.16Å; F5-L93 HydrophobicContact CE1-CB 4.06Å; F5-L93 HydrophobicContact CE2-CB 3.79Å; F5-L93 HydrophobicContact CG-CB 4.46Å; F5-L93 HydrophobicContact CG-CD2 4.5Å; F5-L93 HydrophobicContact CZ-CB 3.74Å; L68-L93 HydrophobicContact CD2-CD1 3.8Å; F86-L93 HydrophobicContact CB-CD1 4.42Å; F86-L93 HydrophobicContact CD1-CD1 3.95Å; F86-L93 HydrophobicContact CD1-CD2 4.36Å; F86-L93 HydrophobicContact CD1-CG 4.07Å; L88-L93 HydrophobicContact CD2-CB 4.31Å; L88-L93 HydrophobicContact CD2-CD1 4.36Å; L93-R108 HydrophobicContact CB-CB 4.3Å; L93-R108 PolarHBondContact N-O 3.36Å; L93-R108 PolarHBondContact O-N 3.05Å
94V98.4Very high97.1Very high4 Ų447 Ų472%0.02427%0.266CS..EExtended strand (participates in β ladder)trans-101.6124.1-175.2-175.80000109F86 T87 E89 N92 K96 I105 E107F86-V94 CarbonylContact C-O 3.51Å; F86-V94 VanDerWaalsContact CA-O 3.26Å; F86-V94 WeakPolarHBondContact CA-O 3.5Å; T87-V94 PolarHBondContact N-O 2.81Å; T87-V94 PolarHBondContact O-N 3.36Å; E89-V94 HydrophobicContact CB-CG2 3.91Å; E89-V94 HydrophobicContact CG-CG2 4.14Å; N92-V94 HydrophobicContact CB-CG2 4.46Å; N92-V94 PolarHBondContact O-N 3.27Å; V94-K96 HydrophobicContact CG1-CG 4.09Å; V94-I105 HydrophobicContact CG1-CG2 3.72Å; V94-E107 HydrophobicContact CG2-CG 4.22Å
95Q98.4Very high97.1Very high5 Ų549.2 Ų49.22%0.02328%0.277CS..EExtended strand (participates in β ladder)trans-108.2118.8172.9176.5179.6-0.600108.3E74 T84 F86 Q97 I105 I106E74-Q95 PolarHBondContact OE2-NE2 3.05Å; T84-Q95 HydrophobicContact CG2-CG 3.81Å; F86-Q95 HydrophobicContact CD1-CB 3.83Å; F86-Q95 HydrophobicContact CD1-CG 4.3Å; F86-Q95 HydrophobicContact CD2-CB 4.48Å; F86-Q95 HydrophobicContact CD2-CG 4.17Å; F86-Q95 HydrophobicContact CE1-CB 3.55Å; F86-Q95 HydrophobicContact CE1-CG 3.79Å; F86-Q95 HydrophobicContact CE2-CB 4.21Å; F86-Q95 HydrophobicContact CE2-CG 3.6Å; F86-Q95 HydrophobicContact CG-CB 4.32Å; F86-Q95 HydrophobicContact CZ-CB 3.75Å; F86-Q95 HydrophobicContact CZ-CG 3.41Å; F86-Q95 VanDerWaalsContact CZ-CG 3.41Å; Q95-Q97 HydrophobicContact CG-CG 4.23Å; Q95-Q97 VanDerWaalsContact NE2-NE2 3.15Å; Q95-I105 CarbonylContact O-C 3.59Å; Q95-I105 WeakPolarHBondContact O-CA 3.47Å; Q95-I106 HydrophobicContact CB-CB 4.2Å; Q95-I106 PolarHBondContact N-O 3.04Å; Q95-I106 PolarHBondContact O-N 3.27Å
96K98.5Very high97.1Very high52 Ų5248.8 Ų48.823%0.22627%0.273CS..EExtended strand (participates in β ladder)trans-108.9123.3174.7-63.6177.6175.2150.20108.4T84 V85 E89 V94 I105T84-K96 VanDerWaalsContact CA-O 3.29Å; T84-K96 WeakPolarHBondContact CA-O 3.49Å; V85-K96 HydrophobicContact CG1-CB 4.06Å; V85-K96 PolarHBondContact N-O 3.33Å; V85-K96 PolarHBondContact O-N 2.94Å; E89-K96 IonicContact OE1-NZ 3.65Å; E89-K96 PolarHBondContact OE1-NZ 3.35Å; E89-K96 IonicContact OE2-NZ 2.74Å; V94-K96 HydrophobicContact CG1-CG 4.09Å; K96-I105 HydrophobicContact CG-CG1 4.24Å; K96-I105 HydrophobicContact CG-CG2 4.47Å
97Q98.5Very high97.1Very high6 Ų651.9 Ų51.93%0.02829%0.288CS..EExtended strand (participates in β ladder)trans-114.2127.9176.5-48.9-178.1-46.900109.2E74 T82 T84 Q95 W99 E103 T104E74-Q97 VanDerWaalsContact CD-NE2 3.25Å; E74-Q97 PolarHBondContact OE1-NE2 3.28Å; E74-Q97 PolarHBondContact OE2-NE2 2.95Å; T82-Q97 HydrophobicContact CG2-CB 4.18Å; T84-Q97 HydrophobicContact CG2-CG 4.22Å; Q95-Q97 HydrophobicContact CG-CG 4.23Å; Q95-Q97 VanDerWaalsContact NE2-NE2 3.15Å; Q97-W99 WeakPolarHBondContact O-CZ3 3.25Å; Q97-E103 WeakPolarHBondContact O-CA 3.38Å; Q97-T104 HydrophobicContact CB-CG2 3.9Å; Q97-T104 HydrophobicContact CG-CG2 4.19Å; Q97-T104 PolarHBondContact N-O 3.34Å; Q97-T104 PolarHBondContact O-N 3.17Å; Q97-T104 VanDerWaalsContact OE1-CG2 3.3Å
98N97.8Very high97.1Very high64 Ų6451.9 Ų51.934%0.34229%0.286SS..EExtended strand (participates in β ladder)trans-120.3133.8180-79.9-82.8000111.2T82 M83 K102 E103T82-N98 CarbonylContact C-O 3.54Å; T82-N98 WeakPolarHBondContact CA-O 3.29Å; M83-N98 PolarHBondContact N-O 3.12Å; M83-N98 PolarHBondContact O-N 3.04Å; N98-K102 WeakPolarHBondContact CA-O 3.25Å; N98-E103 PolarHBondContact ND2-OE2 2.95Å; N98-E103 WeakPolarHBondContact OD1-CB 3.18Å; N98-E103 PolarHBondContact OD1-OE2 3.26Å
99W97.3Very high97.2Very high23 Ų2353.1 Ų53.19%0.08729%0.29CS..EExtended strand (participates in β ladder)trans-157.2140.7175.271.6104.4000110.7L24 K81 T82 Q97 G101 K102 T104 M122L24-W99 HydrophobicContact CD2-CH2 3.57Å; L24-W99 HydrophobicContact CD2-CZ2 4.01Å; K81-W99 WeakPolarHBondContact O-CB 3.44Å; T82-W99 HydrophobicContact CG2-CB 4.05Å; T82-W99 HydrophobicContact CG2-CD2 4.18Å; T82-W99 HydrophobicContact CG2-CE3 3.93Å; T82-W99 HydrophobicContact CG2-CG 4.24Å; Q97-W99 WeakPolarHBondContact O-CZ3 3.25Å; W99-G101 PolarHBondContact O-N 3.5Å; W99-K102 HydrophobicContact CD2-CB 4.18Å; W99-K102 HydrophobicContact CE3-CB 4.41Å; W99-K102 HydrophobicContact CH2-CB 4.13Å; W99-K102 HydrophobicContact CZ2-CB 3.92Å; W99-K102 HydrophobicContact CZ2-CD 4.05Å; W99-K102 HydrophobicContact CZ3-CB 4.36Å; W99-K102 PolarHBondContact N-O 3.31Å; W99-K102 WeakPolarHBondContact O-CA 3.49Å; W99-K102 WeakPolarHBondContact O-CB 3.31Å; W99-K102 PolarHBondContact O-N 3.49Å; W99-T104 HydrophobicContact CH2-CG2 4.04Å; W99-T104 HydrophobicContact CZ3-CG2 3.75Å; W99-M122 HydrophobicContact CH2-CE 3.98Å; W99-M122 HydrophobicContact CH2-SD 3.89Å; W99-M122 HydrophobicContact CZ2-CE 4.06Å
100D94.9Very high97.2Very high155 Ų15551 Ų5183%0.82928%0.282SS*.THydrogen-bonded Turntrans47.337.2173.5-55-30.9000114.8K102D100-K102 VanDerWaalsContact C-N 3.26Å; D100-K102 PolarHBondContact O-N 2.78Å
101G95.1Very high97.4Very high88 Ų8844.3 Ų44.391%0.90725%0.247SC*.THydrogen-bonded Turntrans73.78.6-17700000115.5W99W99-G101 PolarHBondContact O-N 3.5Å
102K96.5Very high97.2Very high103 Ų10347.6 Ų47.645%0.44828%0.281SS..EExtended strand (participates in β ladder)trans-104.5151.3174.1-62.1177.5-178.71780110.8N98 W99 D100 M122N98-K102 WeakPolarHBondContact CA-O 3.25Å; W99-K102 HydrophobicContact CD2-CB 4.18Å; W99-K102 HydrophobicContact CE3-CB 4.41Å; W99-K102 HydrophobicContact CH2-CB 4.13Å; W99-K102 HydrophobicContact CZ2-CB 3.92Å; W99-K102 HydrophobicContact CZ2-CD 4.05Å; W99-K102 HydrophobicContact CZ3-CB 4.36Å; W99-K102 PolarHBondContact N-O 3.31Å; W99-K102 WeakPolarHBondContact O-CA 3.49Å; W99-K102 WeakPolarHBondContact O-CB 3.31Å; W99-K102 PolarHBondContact O-N 3.49Å; D100-K102 VanDerWaalsContact C-N 3.26Å; D100-K102 PolarHBondContact O-N 2.78Å; K102-M122 HydrophobicContact CB-CE 4.22Å; K102-M122 HydrophobicContact CD-CE 4.08Å; K102-M122 HydrophobicContact CG-CE 4.44Å
103E97.7Very high97Very high86 Ų8651.4 Ų51.440%0.40230%0.301SS..EExtended strand (participates in β ladder)trans-132139.8175.2-173172.68200110.6Q97 N98 I105Q97-E103 WeakPolarHBondContact O-CA 3.38Å; N98-E103 PolarHBondContact ND2-OE2 2.95Å; N98-E103 WeakPolarHBondContact OD1-CB 3.18Å; N98-E103 PolarHBondContact OD1-OE2 3.26Å; E103-I105 HydrophobicContact CG-CG1 4.42Å
104T98.4Very high96.7Very high0 Ų053.3 Ų53.30%032%0.321CS..EExtended strand (participates in β ladder)trans-126.6147163.7-173.70000110Y20 L24 Q97 W99 V121Y20-T104 WeakPolarHBondContact CE2-OG1 3.42Å; Y20-T104 PolarHBondContact OH-OG1 3.42Å; L24-T104 HydrophobicContact CD2-CG2 4.06Å; Q97-T104 HydrophobicContact CB-CG2 3.9Å; Q97-T104 HydrophobicContact CG-CG2 4.19Å; Q97-T104 PolarHBondContact N-O 3.34Å; Q97-T104 PolarHBondContact O-N 3.17Å; Q97-T104 VanDerWaalsContact OE1-CG2 3.3Å; W99-T104 HydrophobicContact CH2-CG2 4.04Å; W99-T104 HydrophobicContact CZ3-CG2 3.75Å; T104-V121 WeakPolarHBondContact CA-O 3.24Å; T104-V121 PolarHBondContact OG1-O 3.38Å
105I98.6Very high96.7Very high46 Ų4656.7 Ų56.724%0.23634%0.335CS..EExtended strand (participates in β ladder)trans-119.6130.5-179.5-53.4-177.4000109.1V94 Q95 K96 E103 C120 V121V94-I105 HydrophobicContact CG1-CG2 3.72Å; Q95-I105 CarbonylContact O-C 3.59Å; Q95-I105 WeakPolarHBondContact O-CA 3.47Å; K96-I105 HydrophobicContact CG-CG1 4.24Å; K96-I105 HydrophobicContact CG-CG2 4.47Å; E103-I105 HydrophobicContact CG-CG1 4.42Å; I105-C120 CarbonylContact O-C 3.55Å; I105-C120 WeakPolarHBondContact O-CA 3.42Å; I105-V121 PolarHBondContact N-O 2.74Å; I105-V121 PolarHBondContact O-N 3.32Å
106I98.3Very high96.7Very high23 Ų2356.4 Ų56.412%0.11833%0.334CS..EExtended strand (participates in β ladder)trans-117.4105.4170.2-53.3169.7000107.6Q95 K119 C120Q95-I106 HydrophobicContact CB-CB 4.2Å; Q95-I106 PolarHBondContact N-O 3.04Å; Q95-I106 PolarHBondContact O-N 3.27Å; I106-K119 WeakPolarHBondContact CA-O 3.35Å; I106-C120 HydrophobicContact CG1-CB 4.47Å
107E98.3Very high96.7Very high64 Ų6456 Ų5630%0.29933%0.334SS..EExtended strand (participates in β ladder)trans-97.5128.3177.7-180174.9-162.200109.8N92 V94 A118 K119N92-E107 HydrophobicContact CB-CG 3.94Å; N92-E107 PolarHBondContact ND2-OE1 3.24Å; V94-E107 HydrophobicContact CG2-CG 4.22Å; E107-A118 CarbonylContact O-C 3.51Å; E107-A118 VanDerWaalsContact O-CA 3.31Å; E107-A118 WeakPolarHBondContact O-CA 3.31Å; E107-K119 PolarHBondContact N-O 2.91Å; E107-K119 PolarHBondContact O-N 2.8Å
108R98.3Very high96.6Very high18 Ų1855.9 Ų55.97%0.06833%0.334CS..EExtended strand (participates in β ladder)trans-114.8127.6176.8-60176.3-172.879.7-5.1110.2F5 N92 L93 L116 I117 A118F5-R108 HydrophobicContact CD1-CB 4.35Å; F5-R108 HydrophobicContact CE1-CB 3.91Å; F5-R108 WeakPolarHBondContact CE1-O 3.21Å; F5-R108 VanDerWaalsContact CZ-O 3.23Å; F5-R108 WeakPolarHBondContact CZ-O 3.27Å; N92-R108 CarbonylContact C-O 3.58Å; N92-R108 WeakPolarHBondContact CA-O 3.41Å; L93-R108 HydrophobicContact CB-CB 4.3Å; L93-R108 PolarHBondContact N-O 3.36Å; L93-R108 PolarHBondContact O-N 3.05Å; R108-L116 HydrophobicContact CB-CD2 4.38Å; R108-L116 HydrophobicContact CG-CD2 4.37Å; R108-I117 CarbonylContact C-O 3.58Å; R108-I117 VanDerWaalsContact CA-O 3.32Å; R108-I117 WeakPolarHBondContact CA-O 3.32Å; R108-A118 HydrophobicContact CG-CB 4.14Å
109E97.6Very high96.7Very high87 Ų8757.1 Ų57.141%0.40734%0.336SS..EExtended strand (participates in β ladder)trans-119.8139.5173.3179.9-179.7176.300109.4T111 L116 I117E109-T111 HydrophobicContact CG-CG2 4.5Å; E109-L116 CarbonylContact O-C 3.58Å; E109-L116 VanDerWaalsContact O-CA 3.3Å; E109-L116 WeakPolarHBondContact O-CA 3.3Å; E109-I117 PolarHBondContact N-O 2.9Å; E109-I117 PolarHBondContact O-N 2.87Å
110V97.4Very high96.7Very high29 Ų2956.3 Ų56.318%0.17633%0.334CS..EExtended strand (participates in β ladder)trans-100.8115163.7177.10000107.5K4 F5 W9 K115 L116K4-V110 HydrophobicContact CD-CB 4.3Å; K4-V110 HydrophobicContact CG-CB 4.39Å; K4-V110 HydrophobicContact CG-CG2 4.37Å; F5-V110 HydrophobicContact CD1-CG2 3.59Å; F5-V110 HydrophobicContact CE1-CG2 3.74Å; F5-V110 HydrophobicContact CG-CG2 4.27Å; W9-V110 HydrophobicContact CH2-CG1 4.02Å; W9-V110 HydrophobicContact CH2-CG2 3.93Å; W9-V110 HydrophobicContact CZ2-CG2 3.99Å; V110-K115 CarbonylContact C-O 3.55Å; V110-K115 VanDerWaalsContact CA-O 3.27Å; V110-K115 WeakPolarHBondContact CA-O 3.43Å; V110-L116 HydrophobicContact CG2-CB 4.41Å; V110-L116 HydrophobicContact CG2-CD1 4.47Å; V110-L116 HydrophobicContact CG2-CG 4.44Å
111T95.4Very high96.9Very high31 Ų3150.8 Ų50.819%0.1931%0.306CS..  trans-78.4162.8-175.955.10000111.4E109 D113 G114 K115 I117E109-T111 HydrophobicContact CG-CG2 4.5Å; T111-D113 WeakPolarHBondContact CB-OD1 3.46Å; T111-D113 PolarHBondContact O-N 3.38Å; T111-D113 PolarHBondContact OG1-OD1 2.54Å; T111-G114 PolarHBondContact O-N 3.09Å; T111-K115 PolarHBondContact N-O 3.41Å; T111-K115 WeakPolarHBondContact OG1-CB 3.49Å; T111-K115 PolarHBondContact OG1-N 2.76Å; T111-K115 PolarHBondContact OG1-O 2.99Å; T111-K115 VanDerWaalsContact OG1-O 3.11Å; T111-I117 HydrophobicContact CG2-CG1 3.66Å
112G90.8Very high97Very high95 Ų9547.8 Ų47.898%0.97927%0.268SS*.THydrogen-bonded Turntrans-61.2-23.6179.400000114.6G114G112-G114 VanDerWaalsContact C-N 3.27Å; G112-G114 PolarHBondContact O-N 3.01Å
113D92Very high97Very high101 Ų10145.9 Ų45.954%0.5428%0.278SS..THydrogen-bonded Turntrans-87.311.317470.6-33.4000113.5T111 K115T111-D113 WeakPolarHBondContact CB-OD1 3.46Å; T111-D113 PolarHBondContact O-N 3.38Å; T111-D113 PolarHBondContact OG1-OD1 2.54Å; D113-K115 WeakPolarHBondContact OD2-CD 3.45Å; D113-K115 VanDerWaalsContact OD2-CE 3.29Å; D113-K115 WeakPolarHBondContact OD2-CE 3.44Å; D113-K115 IonicContact OD2-NZ 2.74Å; D113-K115 PolarHBondContact OD2-NZ 2.92Å
114G93.4Very high96.9Very high39 Ų3949.9 Ų49.940%0.40230%0.302SS..SBendtrans77.619.9171.800000114.9W9 T111 G112W9-G114 WeakPolarHBondContact CZ3-O 3.35Å; T111-G114 PolarHBondContact O-N 3.09Å; G112-G114 VanDerWaalsContact C-N 3.27Å; G112-G114 PolarHBondContact O-N 3.01Å
115K97.1Very high96.9Very high75 Ų7551.7 Ų51.733%0.32631%0.313SS..EExtended strand (participates in β ladder)trans-94.8153.1172.2-63.9177.2-174.3136.50110.6V110 T111 D113 I117 T130 Y131 V132V110-K115 CarbonylContact C-O 3.55Å; V110-K115 VanDerWaalsContact CA-O 3.27Å; V110-K115 WeakPolarHBondContact CA-O 3.43Å; T111-K115 PolarHBondContact N-O 3.41Å; T111-K115 WeakPolarHBondContact OG1-CB 3.49Å; T111-K115 PolarHBondContact OG1-N 2.76Å; T111-K115 PolarHBondContact OG1-O 2.99Å; T111-K115 VanDerWaalsContact OG1-O 3.11Å; D113-K115 WeakPolarHBondContact OD2-CD 3.45Å; D113-K115 VanDerWaalsContact OD2-CE 3.29Å; D113-K115 WeakPolarHBondContact OD2-CE 3.44Å; D113-K115 IonicContact OD2-NZ 2.74Å; D113-K115 PolarHBondContact OD2-NZ 2.92Å; K115-I117 HydrophobicContact CB-CD1 4.49Å; K115-T130 HydrophobicContact CB-CG2 4.47Å; K115-T130 HydrophobicContact CD-CG2 4.04Å; K115-Y131 WeakPolarHBondContact CA-O 3.37Å; K115-Y131 WeakPolarHBondContact CB-O 3.49Å; K115-V132 HydrophobicContact CG-CG1 4.42Å
116L98.2Very high96.9Very high0 Ų052.1 Ų52.10%032%0.318CS..EExtended strand (participates in β ladder)trans-103.5120.2168-175.9161000108.6F5 W9 L41 I43 R108 E109 V110 A118 Y131F5-L116 HydrophobicContact CD1-CD1 4.1Å; W9-L116 HydrophobicContact CD2-CB 3.77Å; W9-L116 HydrophobicContact CD2-CD1 3.79Å; W9-L116 HydrophobicContact CD2-CG 4.45Å; W9-L116 HydrophobicContact CE3-CB 3.46Å; W9-L116 VanDerWaalsContact CE3-CB 3.46Å; W9-L116 HydrophobicContact CE3-CD1 4.36Å; W9-L116 HydrophobicContact CG-CB 4.44Å; W9-L116 HydrophobicContact CG-CD1 3.94Å; W9-L116 HydrophobicContact CH2-CB 4.13Å; W9-L116 HydrophobicContact CZ2-CB 4.4Å; W9-L116 HydrophobicContact CZ2-CD1 4.24Å; W9-L116 HydrophobicContact CZ3-CB 3.65Å; L41-L116 HydrophobicContact CD2-CD1 4.25Å; L41-L116 HydrophobicContact CD2-CD2 4.3Å; I43-L116 HydrophobicContact CD1-CD1 4.33Å; R108-L116 HydrophobicContact CB-CD2 4.38Å; R108-L116 HydrophobicContact CG-CD2 4.37Å; E109-L116 CarbonylContact O-C 3.58Å; E109-L116 VanDerWaalsContact O-CA 3.3Å; E109-L116 WeakPolarHBondContact O-CA 3.3Å; V110-L116 HydrophobicContact CG2-CB 4.41Å; V110-L116 HydrophobicContact CG2-CD1 4.47Å; V110-L116 HydrophobicContact CG2-CG 4.44Å; L116-A118 HydrophobicContact CD2-CB 4.24Å; L116-Y131 HydrophobicContact CD2-CD2 3.8Å; L116-Y131 HydrophobicContact CD2-CE2 4.31Å; L116-Y131 HydrophobicContact CD2-CG 4.45Å; L116-Y131 PolarHBondContact N-O 3.24Å; L116-Y131 PolarHBondContact O-N 3.2Å
117I98.3Very high96.9Very high43 Ų4351 Ų5122%0.22131%0.312CS..EExtended strand (participates in β ladder)trans-103.5120.3175.6-53.1-60.2000108.1R108 E109 T111 K115 V128 T130R108-I117 CarbonylContact C-O 3.58Å; R108-I117 VanDerWaalsContact CA-O 3.32Å; R108-I117 WeakPolarHBondContact CA-O 3.32Å; E109-I117 PolarHBondContact N-O 2.9Å; E109-I117 PolarHBondContact O-N 2.87Å; T111-I117 HydrophobicContact CG2-CG1 3.66Å; K115-I117 HydrophobicContact CB-CD1 4.49Å; I117-V128 HydrophobicContact CG2-CG1 3.79Å; I117-T130 HydrophobicContact CD1-CG2 3.66Å
118A98.1Very high96.9Very high4 Ų450.2 Ų50.23%0.03331%0.311CS..EExtended strand (participates in β ladder)trans-108.3111.6173.900000109.5E107 R108 L116 V128 R129 Y131E107-A118 CarbonylContact O-C 3.51Å; E107-A118 VanDerWaalsContact O-CA 3.31Å; E107-A118 WeakPolarHBondContact O-CA 3.31Å; R108-A118 HydrophobicContact CG-CB 4.14Å; L116-A118 HydrophobicContact CD2-CB 4.24Å; A118-V128 WeakPolarHBondContact O-CA 3.25Å; A118-R129 HydrophobicContact CB-CB 4.41Å; A118-R129 PolarHBondContact N-O 3.23Å; A118-R129 PolarHBondContact O-N 3.42Å; A118-Y131 HydrophobicContact CB-CE2 4.09Å
119K98.4Very high96.9Very high89 Ų8950.5 Ų50.539%0.38731%0.312SS..EExtended strand (participates in β ladder)trans-97.9115.7175.7-171.7-178-179.6-174.10109.2I106 E107 V121 V126 A127I106-K119 WeakPolarHBondContact CA-O 3.35Å; E107-K119 PolarHBondContact N-O 2.91Å; E107-K119 PolarHBondContact O-N 2.8Å; K119-V121 HydrophobicContact CD-CG2 4.41Å; K119-V121 HydrophobicContact CG-CG2 4.08Å; K119-V126 HydrophobicContact CD-CG1 4.22Å; K119-V126 VanDerWaalsContact CE-CG1 3.47Å; K119-V126 HydrophobicContact CG-CG1 3.74Å; K119-A127 CarbonylContact C-O 3.5Å; K119-A127 WeakPolarHBondContact CA-O 3.37Å
120C98.3Very high96.9Very high6 Ų647.2 Ų47.24%0.04130%0.299CS..EExtended strand (participates in β ladder)trans-102.8125.5178.6-51.10000109.3Y20 I105 I106 V126 A127Y20-C120 HydrophobicContact CD1-CB 4.07Å; Y20-C120 HydrophobicContact CD2-CB 3.8Å; Y20-C120 HydrophobicContact CE1-CB 3.84Å; Y20-C120 HydrophobicContact CE2-CB 3.56Å; Y20-C120 HydrophobicContact CG-CB 4.05Å; I105-C120 CarbonylContact O-C 3.55Å; I105-C120 WeakPolarHBondContact O-CA 3.42Å; I106-C120 HydrophobicContact CG1-CB 4.47Å; C120-V126 WeakPolarHBondContact O-CA 3.38Å; C120-A127 HydrophobicContact CB-CB 4.33Å; C120-A127 PolarHBondContact N-O 3.4Å; C120-A127 PolarHBondContact O-N 3.26Å
121V98.6Very high96.9Very high40 Ų4046.5 Ų46.524%0.24229%0.293CS..EExtended strand (participates in β ladder)trans-127.2123.9-172.4-174.80000110.2T104 I105 K119 V125 V126T104-V121 WeakPolarHBondContact CA-O 3.24Å; T104-V121 PolarHBondContact OG1-O 3.38Å; I105-V121 PolarHBondContact N-O 2.74Å; I105-V121 PolarHBondContact O-N 3.32Å; K119-V121 HydrophobicContact CD-CG2 4.41Å; K119-V121 HydrophobicContact CG-CG2 4.08Å; V121-V125 WeakPolarHBondContact CA-O 3.36Å; V121-V126 HydrophobicContact CG1-CG2 4.44Å; V121-V126 HydrophobicContact CG2-CG2 4.32Å
122M97.9Very high97Very high24 Ų2447.5 Ų47.512%0.11830%0.298CS..EExtended strand (participates in β ladder)trans-136.5105.3175.217865.4-177.900109Y20 A23 L24 W99 K102 D124 V125Y20-M122 HydrophobicContact CD2-CB 3.91Å; Y20-M122 HydrophobicContact CE2-CB 3.78Å; A23-M122 HydrophobicContact CB-CB 4.2Å; A23-M122 HydrophobicContact CB-CG 3.77Å; L24-M122 HydrophobicContact CD2-CB 4.37Å; L24-M122 HydrophobicContact CD2-CG 4.03Å; L24-M122 HydrophobicContact CD2-SD 3.89Å; W99-M122 HydrophobicContact CH2-CE 3.98Å; W99-M122 HydrophobicContact CH2-SD 3.89Å; W99-M122 HydrophobicContact CZ2-CE 4.06Å; K102-M122 HydrophobicContact CB-CE 4.22Å; K102-M122 HydrophobicContact CD-CE 4.08Å; K102-M122 HydrophobicContact CG-CE 4.44Å; M122-D124 PolarHBondContact O-N 3.43Å; M122-V125 PolarHBondContact N-O 3.26Å; M122-V125 WeakPolarHBondContact O-CB 3.37Å; M122-V125 PolarHBondContact O-N 2.76Å
123G95.9Very high97.3Very high63 Ų6347.9 Ų47.965%0.64927%0.273SS*.THydrogen-bonded Turntrans56.7-128.3-168.600000111V125G123-V125 VanDerWaalsContact C-N 3.28Å; G123-V125 PolarHBondContact O-N 2.97Å
124D96.8Very high97.3Very high170 Ų17047 Ų4791%0.90927%0.266SS*.THydrogen-bonded Turntrans-82.1-3.4177.6-57.8-43.6000113.7M122M122-D124 PolarHBondContact O-N 3.43Å
125V98.3Very high96.4Very high39 Ų3953.2 Ų53.224%0.23631%0.313CS..EExtended strand (participates in β ladder)trans-90.3125.1-176.7-176.60000110.5D19 A23 V121 M122 G123D19-V125 HydrophobicContact CB-CG1 4.03Å; A23-V125 HydrophobicContact CB-CB 4.24Å; A23-V125 HydrophobicContact CB-CG2 4.01Å; V121-V125 WeakPolarHBondContact CA-O 3.36Å; M122-V125 PolarHBondContact N-O 3.26Å; M122-V125 WeakPolarHBondContact O-CB 3.37Å; M122-V125 PolarHBondContact O-N 2.76Å; G123-V125 VanDerWaalsContact C-N 3.28Å; G123-V125 PolarHBondContact O-N 2.97Å
126V98.5Very high96.4Very high54 Ų5452.1 Ų52.133%0.32731%0.312SS..EExtended strand (participates in β ladder)trans-120.9125.2177.9-178.30000109.8N16 K119 C120 V121 V128N16-V126 WeakPolarHBondContact CB-O 3.34Å; N16-V126 PolarHBondContact ND2-O 3.01Å; K119-V126 HydrophobicContact CD-CG1 4.22Å; K119-V126 VanDerWaalsContact CE-CG1 3.47Å; K119-V126 HydrophobicContact CG-CG1 3.74Å; C120-V126 WeakPolarHBondContact O-CA 3.38Å; V121-V126 HydrophobicContact CG1-CG2 4.44Å; V121-V126 HydrophobicContact CG2-CG2 4.32Å; V126-V128 HydrophobicContact CG1-CG2 4.43Å
127A98.3Very high96.3Very high0 Ų054.8 Ų54.80%033%0.329CS..EExtended strand (participates in β ladder)trans-112.8148.5167.800000110.6D15 N16 F17 Y20 K119 C120D15-A127 WeakPolarHBondContact O-CA 3.47Å; D15-A127 WeakPolarHBondContact O-CB 3.32Å; N16-A127 HydrophobicContact CB-CB 4.45Å; F17-A127 HydrophobicContact CB-CB 4.42Å; F17-A127 HydrophobicContact CD2-CB 4.21Å; Y20-A127 HydrophobicContact CG-CB 4.15Å; K119-A127 CarbonylContact C-O 3.5Å; K119-A127 WeakPolarHBondContact CA-O 3.37Å; C120-A127 HydrophobicContact CB-CB 4.33Å; C120-A127 PolarHBondContact N-O 3.4Å; C120-A127 PolarHBondContact O-N 3.26Å
128V98.3Very high96.2Very high47 Ų4755.5 Ų55.529%0.28534%0.335SS..EExtended strand (participates in β ladder)trans-127126.3179.3-178.80000109.1S14 D15 I117 A118 V126S14-V128 WeakPolarHBondContact CA-O 3.3Å; D15-V128 PolarHBondContact N-O 2.71Å; D15-V128 PolarHBondContact O-N 2.87Å; I117-V128 HydrophobicContact CG2-CG1 3.79Å; A118-V128 WeakPolarHBondContact O-CA 3.25Å; V126-V128 HydrophobicContact CG1-CG2 4.43Å
129R97.3Very high96.1Very high24 Ų2458.5 Ų58.59%0.09135%0.353CS..EExtended strand (participates in β ladder)trans-118.5128.2175.2-50.9-172.887.41673.2109.1M11 S13 S14 F17 A118 Y131M11-R129 HydrophobicContact CE-CB 4.46Å; M11-R129 PolarHBondContact SD-NH2 2.85Å; S13-R129 WeakPolarHBondContact O-CA 3.37Å; S14-R129 PolarHBondContact OG-NE 3.12Å; F17-R129 HydrophobicContact CD2-CG 4.47Å; F17-R129 VanDerWaalsContact CE1-NH1 3.26Å; A118-R129 HydrophobicContact CB-CB 4.41Å; A118-R129 PolarHBondContact N-O 3.23Å; A118-R129 PolarHBondContact O-N 3.42Å; R129-Y131 HydrophobicContact CB-CE2 3.72Å
130T97.7Very high95.9Very high19 Ų1956.6 Ų56.612%0.11735%0.35CS..EExtended strand (participates in β ladder)trans-109134.3-178.4-55.70000109.8I12 S13 K115 I117I12-T130 HydrophobicContact CD1-CG2 3.77Å; I12-T130 HydrophobicContact CG1-CG2 3.78Å; I12-T130 WeakPolarHBondContact CG1-O 3.32Å; I12-T130 PolarHBondContact N-O 3.21Å; S13-T130 PolarHBondContact N-O 2.95Å; S13-T130 PolarHBondContact O-N 3.37Å; S13-T130 VanDerWaalsContact OG-CB 3.24Å; S13-T130 WeakPolarHBondContact OG-CB 3.44Å; S13-T130 PolarHBondContact OG-OG1 3.45Å; K115-T130 HydrophobicContact CB-CG2 4.47Å; K115-T130 HydrophobicContact CD-CG2 4.04Å; I117-T130 HydrophobicContact CD1-CG2 3.66Å
131Y97.9Very high95.8Very high14 Ų1460 Ų606%0.05537%0.371CS..EExtended strand (participates in β ladder)trans-126.8151.6178-54.7-111.3000111.2W9 K10 M11 L41 K115 L116 A118 R129W9-Y131 HydrophobicContact CB-CD1 4.15Å; W9-Y131 HydrophobicContact CB-CG 4.28Å; K10-Y131 CarbonylContact O-C 3.52Å; K10-Y131 WeakPolarHBondContact O-CA 3.48Å; K10-Y131 WeakPolarHBondContact O-CB 3.36Å; M11-Y131 HydrophobicContact CB-CD1 3.77Å; M11-Y131 HydrophobicContact CB-CE1 3.71Å; M11-Y131 HydrophobicContact CB-CG 4.49Å; M11-Y131 HydrophobicContact CE-CE1 3.54Å; M11-Y131 HydrophobicContact CE-CE2 4.23Å; M11-Y131 WeakPolarHBondContact CE-OH 3.41Å; M11-Y131 HydrophobicContact CG-CD1 4.44Å; M11-Y131 HydrophobicContact CG-CE1 4.21Å; L41-Y131 HydrophobicContact CB-CD1 4.19Å; L41-Y131 HydrophobicContact CB-CE1 3.84Å; K115-Y131 WeakPolarHBondContact CA-O 3.37Å; K115-Y131 WeakPolarHBondContact CB-O 3.49Å; L116-Y131 HydrophobicContact CD2-CD2 3.8Å; L116-Y131 HydrophobicContact CD2-CE2 4.31Å; L116-Y131 HydrophobicContact CD2-CG 4.45Å; L116-Y131 PolarHBondContact N-O 3.24Å; L116-Y131 PolarHBondContact O-N 3.2Å; A118-Y131 HydrophobicContact CB-CE2 4.09Å; R129-Y131 HydrophobicContact CB-CE2 3.72Å
132V97.2Very high95.6Very high51 Ų5161.4 Ų61.431%0.30938%0.38SS..EExtended strand (participates in β ladder)trans-112.3144.4169.6-63.40000109.4W9 K10 I12 K115 E134W9-V132 CarbonylContact C-O 3.6Å; W9-V132 WeakPolarHBondContact CA-O 3.41Å; K10-V132 HydrophobicContact CB-CG2 4.3Å; K10-V132 PolarHBondContact N-O 3.15Å; K10-V132 PolarHBondContact O-N 2.94Å; I12-V132 HydrophobicContact CD1-CG1 3.68Å; I12-V132 HydrophobicContact CG1-CG1 4.17Å; I12-V132 HydrophobicContact CG2-CB 4.44Å; I12-V132 HydrophobicContact CG2-CG1 3.98Å; I12-V132 HydrophobicContact CG2-CG2 3.7Å; K115-V132 HydrophobicContact CG-CG1 4.42Å; V132-E134 PolarHBondContact O-N 2.8Å
133K96.1Very high95.4Very high104 Ų10464.3 Ų64.345%0.45240%0.401SS..EExtended strand (participates in β ladder)trans-66.5132.7175.9-156166.8-171.7166.10109.4V6 W9V6-K133 WeakPolarHBondContact O-CE 3.44Å; V6-K133 PolarHBondContact O-NZ 3.13Å; W9-K133 HydrophobicContact CD2-CB 4.45Å; W9-K133 HydrophobicContact CD2-CG 4.43Å; W9-K133 HydrophobicContact CE3-CB 3.88Å; W9-K133 HydrophobicContact CE3-CG 4.34Å; W9-K133 HydrophobicContact CH2-CB 4.13Å; W9-K133 HydrophobicContact CH2-CD 4.07Å; W9-K133 HydrophobicContact CH2-CG 4.27Å; W9-K133 HydrophobicContact CZ2-CD 4.12Å; W9-K133 HydrophobicContact CZ2-CG 4.36Å; W9-K133 HydrophobicContact CZ3-CB 3.71Å; W9-K133 HydrophobicContact CZ3-CG 4.26Å
134E91.9Very high95.4Very high83 Ų8364.4 Ų64.439%0.38838%0.38SS..  trans-70.2134.4168.5-169.9169.7-138.300108.4T8 K10 V132T8-E134 HydrophobicContact CG2-CB 4.12Å; T8-E134 WeakPolarHBondContact CG2-OE2 3.46Å; T8-E134 PolarHBondContact O-N 3.21Å; K10-E134 WeakPolarHBondContact CE-OE1 2.91Å; K10-E134 IonicContact NZ-OE1 3.62Å; K10-E134 PolarHBondContact NZ-OE1 3.49Å; V132-E134 PolarHBondContact O-N 2.8Å
135A76.1Confident95.2Very high168 Ų16854.8 Ų54.8100%1.38833%0.332SS*.  trans-710-179.800000112

Retrieved 135 of 135 residues in 253.2 ms (Link to these results)

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