A0A087YDW1_POEFO Loading...

Cellular retinoic acid-binding protein 1

Cytosolic CRABPs may regulate the access of retinoic acid to the nuclear retinoic acid receptors.

AlphaFold DB (A0A3B3U127), UniProt , Accession A0A087YDW1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 134 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
1M51.4Low89.6Confident236 Ų23659.2 Ų59.2100%1.16334%0.337SS*.  0139.80-71-178.8-112.400106.7
2P72.6Confident90.3Very high82 Ų8261.7 Ų61.753%0.53235%0.353SS..  trans-54.9151.4173.4-17.329.1000110.2W89P2-W89 HydrophobicContact CB-CH2 3.85Å; P2-W89 HydrophobicContact CB-CZ2 3.52Å; P2-W89 HydrophobicContact CB-CZ3 4.45Å
3A85.3Confident90.8Very high28 Ų2861 Ų6123%0.23136%0.355CS..  trans-60.5142.9176.200000110.6F5 Q45A3-F5 HydrophobicContact CB-CD2 4.35Å; A3-F5 HydrophobicContact CB-CE2 3.74Å; A3-F5 HydrophobicContact CB-CZ 4.38Å; A3-F5 WeakPolarHBondContact O-CD2 3.11Å; A3-Q45 PolarHBondContact O-NE2 3.11Å; A3-Q45 PolarHBondContact O-OE1 3.5Å
4D92.8Very high91.3Very high90 Ų9060.4 Ų60.448%0.48135%0.349SS..  trans-94.4108.3178.7-177.28000110.5N6 I111D4-N6 VanDerWaalsContact OD1-CB 3.23Å; D4-N6 WeakPolarHBondContact OD1-CB 3.33Å; D4-N6 PolarHBondContact OD1-N 3.16Å; D4-N6 PolarHBondContact OD1-ND2 3.32Å; D4-I111 VanDerWaalsContact O-CD1 3.28Å; D4-I111 WeakPolarHBondContact O-CD1 3.5Å
5F96.9Very high91.8Very high0 Ų063.5 Ų63.50%036%0.364CS..  trans-89.7-5.1-179.7-69.9-99.8000113.6A3 G7 W9 I43 F50 W89 L94 H109 I111 L116A3-F5 HydrophobicContact CB-CD2 4.35Å; A3-F5 HydrophobicContact CB-CE2 3.74Å; A3-F5 HydrophobicContact CB-CZ 4.38Å; A3-F5 WeakPolarHBondContact O-CD2 3.11Å; F5-G7 PolarHBondContact O-N 2.93Å; F5-W9 PolarHBondContact O-NE1 3.14Å; F5-W9 VanDerWaalsContact O-NE1 3.14Å; F5-I43 HydrophobicContact CB-CD1 4.19Å; F5-I43 HydrophobicContact CB-CG2 3.76Å; F5-I43 HydrophobicContact CD1-CD1 4.48Å; F5-I43 WeakPolarHBondContact O-CB 3.36Å; F5-I43 WeakPolarHBondContact O-CG2 3.28Å; F5-F50 HydrophobicContact CB-CE1 4.37Å; F5-F50 HydrophobicContact CD2-CE1 4.44Å; F5-W89 AromaticContact CD2-CH2 4Å; F5-W89 HydrophobicContact CD2-CH2 4Å; F5-W89 AromaticContact CE2-CH2 3.59Å; F5-W89 HydrophobicContact CE2-CH2 3.59Å; F5-W89 AromaticContact CE2-CZ3 3.65Å; F5-W89 HydrophobicContact CE2-CZ3 3.65Å; F5-W89 HydrophobicContact CZ-CZ3 4.42Å; F5-L94 HydrophobicContact CD1-CD1 4.37Å; F5-L94 HydrophobicContact CD2-CD1 3.96Å; F5-L94 HydrophobicContact CD2-CG 4.44Å; F5-L94 HydrophobicContact CE1-CD1 4.35Å; F5-L94 HydrophobicContact CE2-CD1 3.95Å; F5-L94 HydrophobicContact CE2-CG 3.95Å; F5-L94 HydrophobicContact CG-CD1 4.19Å; F5-L94 HydrophobicContact CZ-CD1 4.14Å; F5-L94 HydrophobicContact CZ-CG 4.05Å; F5-H109 HydrophobicContact CE1-CB 3.95Å; F5-I111 HydrophobicContact CB-CD1 4.46Å; F5-I111 HydrophobicContact CD1-CD1 3.77Å; F5-I111 HydrophobicContact CD1-CG1 3.97Å; F5-I111 HydrophobicContact CD2-CD1 4.43Å; F5-I111 HydrophobicContact CE1-CD1 4.05Å; F5-I111 HydrophobicContact CE1-CG1 3.84Å; F5-I111 HydrophobicContact CG-CD1 3.98Å; F5-I111 HydrophobicContact CZ-CD1 4.49Å; F5-I111 HydrophobicContact CZ-CG1 4.39Å; F5-L116 HydrophobicContact CD1-CD1 3.65Å; F5-L116 HydrophobicContact CE1-CD1 3.81Å
6N97.4Very high92.2Very high56 Ų5663.6 Ų63.630%0.29936%0.363SS..  trans-53.2134.2-177.3-80.7-67.8000111.6D4 I43 K44 Q45 R133D4-N6 VanDerWaalsContact OD1-CB 3.23Å; D4-N6 WeakPolarHBondContact OD1-CB 3.33Å; D4-N6 PolarHBondContact OD1-N 3.16Å; D4-N6 PolarHBondContact OD1-ND2 3.32Å; N6-I43 WeakPolarHBondContact CA-O 3.35Å; N6-K44 WeakPolarHBondContact OD1-CA 3.42Å; N6-Q45 PolarHBondContact ND2-O 2.98Å; N6-Q45 PolarHBondContact OD1-N 3.4Å; N6-Q45 PolarHBondContact OD1-O 3.27Å; N6-R133 PolarHBondContact O-NH1 2.96Å
7G97.2Very high92.5Very high24 Ų2461.4 Ų61.425%0.24735%0.35CS..EExtended strand (participates in β ladder)trans143.8-177.4172.200000114.2F5 I43F5-G7 PolarHBondContact O-N 2.93Å; G7-I43 PolarHBondContact N-O 2.86Å; G7-I43 PolarHBondContact O-N 2.85Å
8T98.1Very high92.8Very high45 Ų4561.6 Ų61.628%0.27635%0.35SS..EExtended strand (participates in β ladder)trans-109.2133.3172.9-55.90000108.6Q40 K41 V42 M134T8-Q40 HydrophobicContact CG2-CG 3.47Å; T8-Q40 VanDerWaalsContact CG2-CG 3.47Å; T8-Q40 VanDerWaalsContact CG2-NE2 3.31Å; T8-K41 CarbonylContact C-O 3.56Å; T8-K41 WeakPolarHBondContact CA-O 3.38Å; T8-V42 HydrophobicContact CG2-CG2 4.19Å; T8-M134 HydrophobicContact CG2-CG 4.06Å; T8-M134 HydrophobicContact CG2-SD 3.4Å; T8-M134 WeakPolarHBondContact CG2-SD 3.4Å; T8-M134 PolarHBondContact O-N 3.27Å
9W98.4Very high93.1Very high0 Ų058.9 Ų58.90%034%0.337CS..EExtended strand (participates in β ladder)trans-131.5121.2-169.6-52.688.5000110.1F5 Q40 K41 I111 L116 F131 K132 R133F5-W9 PolarHBondContact O-NE1 3.14Å; F5-W9 VanDerWaalsContact O-NE1 3.14Å; W9-Q40 CarbonylContact O-C 3.55Å; W9-Q40 WeakPolarHBondContact O-CA 3.37Å; W9-K41 HydrophobicContact CB-CB 4.23Å; W9-K41 PolarHBondContact N-O 2.71Å; W9-K41 PolarHBondContact O-N 2.88Å; W9-I111 HydrophobicContact CH2-CD1 3.97Å; W9-I111 HydrophobicContact CH2-CG1 4.23Å; W9-I111 HydrophobicContact CZ2-CD1 4.06Å; W9-L116 HydrophobicContact CB-CD2 4.06Å; W9-L116 HydrophobicContact CD2-CB 3.65Å; W9-L116 HydrophobicContact CD2-CD2 3.92Å; W9-L116 HydrophobicContact CD2-CG 4.38Å; W9-L116 HydrophobicContact CE3-CB 3.39Å; W9-L116 HydrophobicContact CG-CB 4.23Å; W9-L116 HydrophobicContact CG-CD2 3.7Å; W9-L116 HydrophobicContact CH2-CB 4.09Å; W9-L116 HydrophobicContact CZ2-CB 4.34Å; W9-L116 HydrophobicContact CZ3-CB 3.63Å; W9-F131 HydrophobicContact CB-CB 3.7Å; W9-F131 HydrophobicContact CB-CG 4.37Å; W9-K132 CarbonylContact C-O 3.6Å; W9-K132 WeakPolarHBondContact CA-O 3.45Å; W9-R133 HydrophobicContact CE3-CB 3.78Å; W9-R133 HydrophobicContact CE3-CG 4.42Å; W9-R133 HydrophobicContact CH2-CB 4.3Å; W9-R133 HydrophobicContact CZ3-CB 3.65Å; W9-R133 HydrophobicContact CZ3-CG 4.3Å
10D97.9Very high93.4Very high66 Ų6656.3 Ų56.335%0.35332%0.321SS..EExtended strand (participates in β ladder)trans-96.5133.7-180-76-23000111.1V12 Q40 F131 K132 M134D10-V12 PolarHBondContact O-N 2.84Å; D10-Q40 WeakPolarHBondContact OD1-CG 3.16Å; D10-Q40 PolarHBondContact OD1-NE2 3.09Å; D10-F131 CarbonylContact O-C 3.56Å; D10-F131 WeakPolarHBondContact O-CA 3.46Å; D10-F131 WeakPolarHBondContact O-CB 3.43Å; D10-K132 PolarHBondContact N-O 3.12Å; D10-K132 PolarHBondContact O-N 3.44Å; D10-M134 WeakPolarHBondContact OD2-CG 3.37Å
11M97.8Very high93.6Very high24 Ų2454 Ų5412%0.11831%0.308CS..EExtended strand (participates in β ladder)trans-64128.5-178.7-179.3175.8-80.500111.9N14 P39 Q129 F131M11-N14 HydrophobicContact CE-CB 4.21Å; M11-N14 HydrophobicContact SD-CB 3.71Å; M11-P39 VanDerWaalsContact CB-O 3.24Å; M11-P39 WeakPolarHBondContact CB-O 3.22Å; M11-P39 HydrophobicContact CE-CG 3.45Å; M11-P39 VanDerWaalsContact CE-CG 3.45Å; M11-P39 PolarHBondContact N-O 2.87Å; M11-P39 VanDerWaalsContact SD-CD 3.6Å; M11-P39 HydrophobicContact SD-CG 4.06Å; M11-Q129 HydrophobicContact CE-CB 4.35Å; M11-Q129 HydrophobicContact CE-CG 4.07Å; M11-F131 VanDerWaalsContact CA-CD1 3.46Å; M11-F131 HydrophobicContact CB-CD1 3.8Å; M11-F131 HydrophobicContact CB-CE1 3.69Å; M11-F131 HydrophobicContact CE-CE1 3.76Å; M11-F131 HydrophobicContact CE-CE2 4.49Å; M11-F131 HydrophobicContact CE-CZ 3.53Å; M11-F131 HydrophobicContact CG-CE1 4.26Å
12V97.4Very high95.8Very high89 Ų8946.8 Ų46.854%0.53927%0.273SS..EExtended strand (participates in β ladder)trans-101-46.6175.5179.30000110.6D10 V130 K132D10-V12 PolarHBondContact O-N 2.84Å; V12-V130 PolarHBondContact N-O 2.73Å; V12-K132 HydrophobicContact CG2-CB 3.65Å
13S97.6Very high97Very high53 Ų5343.4 Ų43.437%0.37125%0.252SS..EExtended strand (participates in β ladder)trans-143.2155.6-177.670.70000112Q129 V130S13-Q129 WeakPolarHBondContact O-CA 3.48Å; S13-V130 PolarHBondContact N-O 2.9Å; S13-V130 PolarHBondContact O-N 3.02Å; S13-V130 VanDerWaalsContact O-N 3.1Å; S13-V130 WeakPolarHBondContact OG-CB 3.35Å; S13-V130 WeakPolarHBondContact OG-CG2 3.49Å
14N97.7Very high97.6Very high52 Ų5242.1 Ų42.128%0.27824%0.242SC..EExtended strand (participates in β ladder)trans-152.999-177.9-171.48.3000109.2M11 L17 C127 K128 Q129M11-N14 HydrophobicContact CE-CB 4.21Å; M11-N14 HydrophobicContact SD-CB 3.71Å; N14-L17 VanDerWaalsContact ND2-CD2 3.26Å; N14-L17 WeakPolarHBondContact ND2-CD2 3.47Å; N14-L17 WeakPolarHBondContact OD1-CB 3.36Å; N14-C127 PolarHBondContact OD1-SG 2.84Å; N14-K128 CarbonylContact C-O 3.59Å; N14-K128 WeakPolarHBondContact CA-O 3.35Å; N14-Q129 HydrophobicContact CB-CG 4.38Å; N14-Q129 WeakPolarHBondContact OD1-CG 3.31Å; N14-Q129 PolarHBondContact OD1-NE2 2.84Å
15D98.3Very high97.8Very high108 Ų10842.6 Ų42.658%0.57824%0.244SC*.EExtended strand (participates in β ladder)trans-103136-175.6-174.228.8000110.9L17 C127 K128D15-L17 VanDerWaalsContact C-N 3.3Å; D15-L17 PolarHBondContact O-N 2.87Å; D15-C127 CarbonylContact O-C 3.59Å; D15-C127 VanDerWaalsContact O-CA 3.22Å; D15-C127 WeakPolarHBondContact O-CA 3.32Å; D15-C127 PolarHBondContact O-SG 2.82Å; D15-C127 VanDerWaalsContact O-SG 3.36Å; D15-K128 HydrophobicContact CB-CB 4.39Å; D15-K128 PolarHBondContact N-O 2.96Å; D15-K128 PolarHBondContact O-N 3.45Å
16N98.3Very high97.8Very high64 Ų6443.6 Ų43.634%0.34225%0.249SC..SBendtrans55.630.8-178.5-16535.1000116.5D18 G19 Y20 Q125 V126N16-D18 VanDerWaalsContact C-N 3.3Å; N16-D18 PolarHBondContact O-N 2.97Å; N16-G19 PolarHBondContact O-N 2.86Å; N16-G19 WeakPolarHBondContact OD1-CA 3.33Å; N16-Y20 PolarHBondContact O-N 2.91Å; N16-Q125 PolarHBondContact ND2-OE1 2.82Å; N16-V126 WeakPolarHBondContact CB-O 3.39Å; N16-V126 PolarHBondContact ND2-O 3.33Å
17L97.6Very high97.8Very high27 Ų2745.3 Ų45.314%0.14126%0.258CS..Hα-helixtrans-59.5-39.9173.7-17365.7000112.3N14 D15 Y20 M21 A34N14-L17 VanDerWaalsContact ND2-CD2 3.26Å; N14-L17 WeakPolarHBondContact ND2-CD2 3.47Å; N14-L17 WeakPolarHBondContact OD1-CB 3.36Å; D15-L17 VanDerWaalsContact C-N 3.3Å; D15-L17 PolarHBondContact O-N 2.87Å; L17-Y20 HydrophobicContact CD1-CD1 4.47Å; L17-Y20 PolarHBondContact O-N 3.12Å; L17-M21 HydrophobicContact CD1-CG 4.29Å; L17-M21 HydrophobicContact CD2-CE 4Å; L17-M21 HydrophobicContact CD2-SD 4.21Å; L17-M21 HydrophobicContact CG-CE 3.8Å; L17-M21 HydrophobicContact CG-CG 4.2Å; L17-M21 HydrophobicContact CG-SD 4.06Å; L17-M21 WeakPolarHBondContact O-CB 3.29Å; L17-M21 VanDerWaalsContact O-CG 3.28Å; L17-M21 WeakPolarHBondContact O-CG 3.47Å; L17-M21 PolarHBondContact O-N 3.07Å; L17-A34 HydrophobicContact CD2-CB 4.43Å
18D97.6Very high97.7Very high65 Ų6550 Ų5035%0.34827%0.272SS..Hα-helixtrans-63.7-43.7-178.2-167.558.7000111.7N16 M21 I22 R31N16-D18 VanDerWaalsContact C-N 3.3Å; N16-D18 PolarHBondContact O-N 2.97Å; D18-M21 PolarHBondContact O-N 2.73Å; D18-I22 VanDerWaalsContact O-CG1 3.27Å; D18-I22 WeakPolarHBondContact O-CG1 3.48Å; D18-I22 PolarHBondContact O-N 2.77Å; D18-R31 WeakPolarHBondContact OD1-CB 3.26Å; D18-R31 WeakPolarHBondContact OD1-CD 3.48Å; D18-R31 IonicContact OD1-CZ 3.46Å; D18-R31 IonicContact OD1-NE 2.88Å; D18-R31 PolarHBondContact OD1-NE 2.87Å; D18-R31 IonicContact OD1-NH2 3.27Å
19G98.4Very high97.6Very high10 Ų1051 Ų5110%0.10328%0.284CS..Hα-helixtrans-60.9-46.6175.700000112.2N16 M21 I22 A23N16-G19 PolarHBondContact O-N 2.86Å; N16-G19 WeakPolarHBondContact OD1-CA 3.33Å; G19-M21 PolarHBondContact O-N 2.89Å; G19-I22 WeakPolarHBondContact O-CB 3.46Å; G19-I22 PolarHBondContact O-N 2.85Å; G19-A23 PolarHBondContact O-N 2.92Å
20Y98.6Very high97.4Very high6 Ų654.1 Ų54.12%0.02430%0.304CS..Hα-helixtrans-58.9-44.1174.4174.6-101.1000112.4N16 L17 I22 A23 L24 L120 C122 C127N16-Y20 PolarHBondContact O-N 2.91Å; L17-Y20 HydrophobicContact CD1-CD1 4.47Å; L17-Y20 PolarHBondContact O-N 3.12Å; Y20-I22 PolarHBondContact O-N 3.12Å; Y20-A23 WeakPolarHBondContact O-CB 3.47Å; Y20-A23 PolarHBondContact O-N 3.36Å; Y20-L24 HydrophobicContact CD1-CD1 4.04Å; Y20-L24 HydrophobicContact CE1-CD1 3.38Å; Y20-L24 HydrophobicContact CE1-CG 4.3Å; Y20-L24 HydrophobicContact CE2-CD1 4.45Å; Y20-L24 PolarHBondContact O-N 3.33Å; Y20-L120 HydrophobicContact CD1-CD1 4.46Å; Y20-L120 HydrophobicContact CD2-CB 4.06Å; Y20-L120 HydrophobicContact CE1-CB 4.26Å; Y20-L120 HydrophobicContact CE1-CD1 4.21Å; Y20-L120 HydrophobicContact CE2-CB 3.79Å; Y20-L120 HydrophobicContact CG-CB 4.41Å; Y20-C122 HydrophobicContact CD2-CB 3.92Å; Y20-C122 HydrophobicContact CE2-CB 3.61Å; Y20-C127 HydrophobicContact CG-CB 4.06Å
21M97.8Very high97.3Very high10 Ų1052.7 Ų52.75%0.04929%0.293CS..Hα-helixtrans-69.3-30.9178.6-72-171.7-59.600113.1L17 D18 G19 L24 D25 I26 R31 A34L17-M21 HydrophobicContact CD1-CG 4.29Å; L17-M21 HydrophobicContact CD2-CE 4Å; L17-M21 HydrophobicContact CD2-SD 4.21Å; L17-M21 HydrophobicContact CG-CE 3.8Å; L17-M21 HydrophobicContact CG-CG 4.2Å; L17-M21 HydrophobicContact CG-SD 4.06Å; L17-M21 WeakPolarHBondContact O-CB 3.29Å; L17-M21 VanDerWaalsContact O-CG 3.28Å; L17-M21 WeakPolarHBondContact O-CG 3.47Å; L17-M21 PolarHBondContact O-N 3.07Å; D18-M21 PolarHBondContact O-N 2.73Å; G19-M21 PolarHBondContact O-N 2.89Å; M21-L24 PolarHBondContact O-N 2.8Å; M21-D25 PolarHBondContact O-N 3.36Å; M21-I26 HydrophobicContact CB-CB 4.19Å; M21-I26 HydrophobicContact CB-CD1 4.05Å; M21-I26 HydrophobicContact CG-CD1 3.94Å; M21-I26 WeakPolarHBondContact O-CB 3.23Å; M21-I26 PolarHBondContact O-N 3.19Å; M21-R31 VanDerWaalsContact CB-CD 3.44Å; M21-R31 HydrophobicContact CB-CG 3.73Å; M21-R31 HydrophobicContact CE-CB 3.51Å; M21-R31 HydrophobicContact CE-CG 3.69Å; M21-R31 HydrophobicContact SD-CB 4.3Å; M21-R31 HydrophobicContact SD-CG 4.02Å; M21-A34 HydrophobicContact CE-CB 4.1Å; M21-A34 HydrophobicContact SD-CB 3.64Å
22I98.3Very high97.2Very high83 Ų8356.5 Ų56.543%0.42631%0.309SS..Hα-helixtrans-63.2-45.7170.8-72.4164.6000110.1D18 G19 Y20 L24 D25 R31D18-I22 VanDerWaalsContact O-CG1 3.27Å; D18-I22 WeakPolarHBondContact O-CG1 3.48Å; D18-I22 PolarHBondContact O-N 2.77Å; G19-I22 WeakPolarHBondContact O-CB 3.46Å; G19-I22 PolarHBondContact O-N 2.85Å; Y20-I22 PolarHBondContact O-N 3.12Å; I22-L24 PolarHBondContact O-N 3.36Å; I22-D25 PolarHBondContact O-N 2.78Å; I22-R31 VanDerWaalsContact CG1-CZ 3.45Å
23A98.3Very high97.1Very high11 Ų1155.3 Ų55.39%0.09130%0.302CS..Hα-helixtrans-61-24.2176.200000112.8G19 Y20 D25 K102 C122 E123 Q125G19-A23 PolarHBondContact O-N 2.92Å; Y20-A23 WeakPolarHBondContact O-CB 3.47Å; Y20-A23 PolarHBondContact O-N 3.36Å; A23-D25 VanDerWaalsContact C-N 3.34Å; A23-K102 WeakPolarHBondContact O-CD 3.38Å; A23-K102 WeakPolarHBondContact O-CE 3.46Å; A23-K102 PolarHBondContact O-NZ 2.8Å; A23-C122 HydrophobicContact CB-CB 4.28Å; A23-E123 HydrophobicContact CB-CB 4.38Å; A23-Q125 HydrophobicContact CB-CB 4.13Å; A23-Q125 HydrophobicContact CB-CG 3.87Å
24L98.1Very high96.9Very high2 Ų253.9 Ų53.91%0.0129%0.294CS..THydrogen-bonded Turntrans-86.65.2172.8-67.9178.7000114.5Y20 M21 I22 I26 D79 R81 K102 C122Y20-L24 HydrophobicContact CD1-CD1 4.04Å; Y20-L24 HydrophobicContact CE1-CD1 3.38Å; Y20-L24 HydrophobicContact CE1-CG 4.3Å; Y20-L24 HydrophobicContact CE2-CD1 4.45Å; Y20-L24 PolarHBondContact O-N 3.33Å; M21-L24 PolarHBondContact O-N 2.8Å; I22-L24 PolarHBondContact O-N 3.36Å; L24-I26 HydrophobicContact CB-CD1 4.09Å; L24-I26 HydrophobicContact CB-CG1 3.97Å; L24-I26 HydrophobicContact CD1-CD1 4.19Å; L24-I26 PolarHBondContact O-N 3.3Å; L24-D79 HydrophobicContact CB-CB 4.19Å; L24-D79 HydrophobicContact CD1-CB 4.5Å; L24-R81 PolarHBondContact O-NH1 3.08Å; L24-K102 HydrophobicContact CD2-CG 4.23Å; L24-C122 HydrophobicContact CD2-CB 4.31Å
25D97.3Very high96.7Very high99 Ų9954.7 Ų54.753%0.52930%0.303SS..THydrogen-bonded Turntrans59.526.5-174.3-43.3-53.3000114.4M21 I22 A23 N27 R81 K102M21-D25 PolarHBondContact O-N 3.36Å; I22-D25 PolarHBondContact O-N 2.78Å; A23-D25 VanDerWaalsContact C-N 3.34Å; D25-N27 PolarHBondContact O-N 3.1Å; D25-R81 IonicContact OD2-CZ 3.93Å; D25-R81 IonicContact OD2-NH2 2.78Å; D25-R81 PolarHBondContact OD2-NH2 2.93Å; D25-K102 IonicContact OD1-NZ 3.76Å; D25-K102 PolarHBondContact OD1-NZ 3.03Å; D25-K102 VanDerWaalsContact OD1-NZ 3.1Å; D25-K102 WeakPolarHBondContact OD2-CE 3.35Å; D25-K102 IonicContact OD2-NZ 3.43Å; D25-K102 PolarHBondContact OD2-NZ 3.48Å
26I96.8Very high96.5Very high21 Ų2156.4 Ų56.411%0.10831%0.31CS..  trans-73.7129.5178.3-62.1176.5000109.1M21 L24 T30 R31 D79M21-I26 HydrophobicContact CB-CB 4.19Å; M21-I26 HydrophobicContact CB-CD1 4.05Å; M21-I26 HydrophobicContact CG-CD1 3.94Å; M21-I26 WeakPolarHBondContact O-CB 3.23Å; M21-I26 PolarHBondContact O-N 3.19Å; L24-I26 HydrophobicContact CB-CD1 4.09Å; L24-I26 HydrophobicContact CB-CG1 3.97Å; L24-I26 HydrophobicContact CD1-CD1 4.19Å; L24-I26 PolarHBondContact O-N 3.3Å; I26-T30 HydrophobicContact CG2-CG2 3.57Å; I26-R31 HydrophobicContact CB-CG 4.05Å; I26-R31 HydrophobicContact CG2-CG 3.7Å; I26-R31 WeakPolarHBondContact O-CD 3.48Å; I26-R31 PolarHBondContact O-NH1 2.85Å; I26-D79 HydrophobicContact CD1-CB 4.4Å; I26-D79 HydrophobicContact CG1-CB 4.27Å
27N95.9Very high96.3Very high92 Ų9254.8 Ų54.849%0.49230%0.301SS..  trans-62.9153.1-178.375.474.1000112.8D25 A29 T30 R31D25-N27 PolarHBondContact O-N 3.1Å; N27-A29 VanDerWaalsContact C-N 3.33Å; N27-A29 PolarHBondContact O-N 2.83Å; N27-A29 PolarHBondContact OD1-N 2.85Å; N27-A29 VanDerWaalsContact OD1-N 3.12Å; N27-T30 PolarHBondContact ND2-OG1 3.31Å; N27-T30 PolarHBondContact O-N 2.82Å; N27-T30 PolarHBondContact OD1-N 3.47Å; N27-T30 PolarHBondContact OD1-OG1 2.78Å; N27-R31 WeakPolarHBondContact O-CG 3.47Å; N27-R31 PolarHBondContact O-N 2.87Å
28F95.3Very high96.1Very high124 Ų12462 Ų6254%0.54433%0.331SS..Hα-helixtrans-56.1-40.3-174.1178.4-102.9000114.4R31 K32F28-R31 PolarHBondContact O-N 2.93Å; F28-K32 HydrophobicContact CD1-CG 4.3Å; F28-K32 HydrophobicContact CD2-CG 4.49Å; F28-K32 HydrophobicContact CE1-CG 3.89Å; F28-K32 HydrophobicContact CE2-CD 4.36Å; F28-K32 HydrophobicContact CE2-CG 4.12Å; F28-K32 HydrophobicContact CZ-CD 4.14Å; F28-K32 HydrophobicContact CZ-CG 3.82Å; F28-K32 WeakPolarHBondContact O-CG 3.3Å; F28-K32 PolarHBondContact O-N 2.79Å
29A95.5Very high96Very high64 Ų6459.9 Ų59.953%0.52932%0.321SS..Hα-helixtrans-64.9-46.4-178.800000111.2N27 R31 K32 V33N27-A29 VanDerWaalsContact C-N 3.33Å; N27-A29 PolarHBondContact O-N 2.83Å; N27-A29 PolarHBondContact OD1-N 2.85Å; N27-A29 VanDerWaalsContact OD1-N 3.12Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 2.87Å; A29-K32 PolarHBondContact O-N 3.14Å; A29-V33 PolarHBondContact O-N 3.05Å; A29-V33 VanDerWaalsContact O-N 3.13Å
30T94.6Very high96Very high66 Ų6662 Ų6241%0.40533%0.328SS..Hα-helixtrans-60.4-42.5174.8-600000111.4I26 N27 K32 V33 A34I26-T30 HydrophobicContact CG2-CG2 3.57Å; N27-T30 PolarHBondContact ND2-OG1 3.31Å; N27-T30 PolarHBondContact O-N 2.82Å; N27-T30 PolarHBondContact OD1-N 3.47Å; N27-T30 PolarHBondContact OD1-OG1 2.78Å; T30-K32 PolarHBondContact O-N 2.89Å; T30-V33 PolarHBondContact O-N 3.35Å; T30-A34 WeakPolarHBondContact O-CB 3.45Å; T30-A34 PolarHBondContact O-N 3.34Å
31R96.2Very high95.9Very high36 Ų3662.5 Ų62.514%0.13633%0.33CS..Hα-helixtrans-61.8-41.9177.2-65.1-160.2-43.6-96.710.5112.9D18 M21 I22 I26 N27 F28 A29 A34 S35D18-R31 WeakPolarHBondContact OD1-CB 3.26Å; D18-R31 WeakPolarHBondContact OD1-CD 3.48Å; D18-R31 IonicContact OD1-CZ 3.46Å; D18-R31 IonicContact OD1-NE 2.88Å; D18-R31 PolarHBondContact OD1-NE 2.87Å; D18-R31 IonicContact OD1-NH2 3.27Å; M21-R31 VanDerWaalsContact CB-CD 3.44Å; M21-R31 HydrophobicContact CB-CG 3.73Å; M21-R31 HydrophobicContact CE-CB 3.51Å; M21-R31 HydrophobicContact CE-CG 3.69Å; M21-R31 HydrophobicContact SD-CB 4.3Å; M21-R31 HydrophobicContact SD-CG 4.02Å; I22-R31 VanDerWaalsContact CG1-CZ 3.45Å; I26-R31 HydrophobicContact CB-CG 4.05Å; I26-R31 HydrophobicContact CG2-CG 3.7Å; I26-R31 WeakPolarHBondContact O-CD 3.48Å; I26-R31 PolarHBondContact O-NH1 2.85Å; N27-R31 WeakPolarHBondContact O-CG 3.47Å; N27-R31 PolarHBondContact O-N 2.87Å; F28-R31 PolarHBondContact O-N 2.93Å; A29-R31 VanDerWaalsContact C-N 3.32Å; A29-R31 PolarHBondContact O-N 2.87Å; R31-A34 PolarHBondContact O-N 2.88Å; R31-S35 PolarHBondContact O-N 2.99Å
32K95.4Very high95.9Very high104 Ų10463.2 Ų63.245%0.45234%0.335SS..Hα-helixtrans-61.6-44.9176.4-75.9-63.6-179.7-1690112F28 A29 T30 S35F28-K32 HydrophobicContact CD1-CG 4.3Å; F28-K32 HydrophobicContact CD2-CG 4.49Å; F28-K32 HydrophobicContact CE1-CG 3.89Å; F28-K32 HydrophobicContact CE2-CD 4.36Å; F28-K32 HydrophobicContact CE2-CG 4.12Å; F28-K32 HydrophobicContact CZ-CD 4.14Å; F28-K32 HydrophobicContact CZ-CG 3.82Å; F28-K32 WeakPolarHBondContact O-CG 3.3Å; F28-K32 PolarHBondContact O-N 2.79Å; A29-K32 PolarHBondContact O-N 3.14Å; T30-K32 PolarHBondContact O-N 2.89Å; K32-S35 PolarHBondContact O-N 2.91Å; K32-S35 PolarHBondContact O-OG 3.05Å
33V94.8Very high95.9Very high65 Ų6559.6 Ų59.639%0.39432%0.317SS..Hα-helixtrans-60.6-50.2174.4176.30000110.6A29 T30 S35 M36 V58A29-V33 PolarHBondContact O-N 3.05Å; A29-V33 VanDerWaalsContact O-N 3.13Å; T30-V33 PolarHBondContact O-N 3.35Å; V33-S35 VanDerWaalsContact C-N 3.28Å; V33-S35 PolarHBondContact O-N 2.94Å; V33-M36 PolarHBondContact O-N 3.04Å; V33-M36 VanDerWaalsContact O-N 3.08Å; V33-V58 HydrophobicContact CG1-CG2 4.5Å
34A94.4Very high95.9Very high23 Ų2365.2 Ų65.219%0.1934%0.339CS..Hα-helixtrans-58.2-37.7-178.500000113.2L17 M21 T30 R31 M36 L37L17-A34 HydrophobicContact CD2-CB 4.43Å; M21-A34 HydrophobicContact CE-CB 4.1Å; M21-A34 HydrophobicContact SD-CB 3.64Å; T30-A34 WeakPolarHBondContact O-CB 3.45Å; T30-A34 PolarHBondContact O-N 3.34Å; R31-A34 PolarHBondContact O-N 2.88Å; A34-M36 PolarHBondContact O-N 2.96Å; A34-L37 WeakPolarHBondContact O-CB 3.39Å; A34-L37 PolarHBondContact O-N 3.45Å; A34-L37 VanDerWaalsContact O-N 3.1Å
35S93.9Very high95.9Very high69 Ų6966.6 Ų66.648%0.48335%0.345SS..Hα-helixtrans-64.5-19.8179.171.60000114.6R31 K32 V33R31-S35 PolarHBondContact O-N 2.99Å; K32-S35 PolarHBondContact O-N 2.91Å; K32-S35 PolarHBondContact O-OG 3.05Å; V33-S35 VanDerWaalsContact C-N 3.28Å; V33-S35 PolarHBondContact O-N 2.94Å
36M93.9Very high95.9Very high143 Ų14368.2 Ų68.270%0.70435%0.354SS*.THydrogen-bonded Turntrans-92.1-9.2178-61-177.3-69.900112.6V33 A34V33-M36 PolarHBondContact O-N 3.04Å; V33-M36 VanDerWaalsContact O-N 3.08Å; A34-M36 PolarHBondContact O-N 2.96Å
37L93.7Very high95.8Very high31 Ų3169.7 Ų69.716%0.16237%0.374CS..  trans-82.2146.7-177.7-57.2178.4000110.9A34 P39 S57 V58A34-L37 WeakPolarHBondContact O-CB 3.39Å; A34-L37 PolarHBondContact O-N 3.45Å; A34-L37 VanDerWaalsContact O-N 3.1Å; L37-P39 WeakPolarHBondContact O-CD 3.27Å; L37-S57 WeakPolarHBondContact CD2-OG 3.32Å; L37-V58 HydrophobicContact CD1-CB 4.26Å; L37-V58 HydrophobicContact CD2-CG2 4.07Å
38K93.9Very high95.8Very high178 Ų17869 Ų6977%0.77437%0.371SS*.  trans-11983.2168.9-65-172.5178.8-171.70108.5
39P95.3Very high96Very high20 Ų2065.7 Ų65.713%0.1336%0.363CS..  trans-67.7146.5-178.627.3-35.6000111.8M11 L37 T54 I55M11-P39 VanDerWaalsContact CB-O 3.24Å; M11-P39 WeakPolarHBondContact CB-O 3.22Å; M11-P39 HydrophobicContact CE-CG 3.45Å; M11-P39 VanDerWaalsContact CE-CG 3.45Å; M11-P39 PolarHBondContact N-O 2.87Å; M11-P39 VanDerWaalsContact SD-CD 3.6Å; M11-P39 HydrophobicContact SD-CG 4.06Å; L37-P39 WeakPolarHBondContact O-CD 3.27Å; P39-T54 HydrophobicContact CB-CG2 3.77Å; P39-T54 HydrophobicContact CG-CG2 4.39Å; P39-I55 CarbonylContact C-O 3.55Å; P39-I55 WeakPolarHBondContact CA-O 3.46Å; P39-I55 WeakPolarHBondContact CB-O 3.1Å
40Q97.2Very high96.1Very high56 Ų5662.8 Ų62.826%0.26234%0.339SS..EExtended strand (participates in β ladder)trans-94.2144.3166.1-179.9174.785.900109.2T8 W9 D10 T54 I55 M134T8-Q40 HydrophobicContact CG2-CG 3.47Å; T8-Q40 VanDerWaalsContact CG2-CG 3.47Å; T8-Q40 VanDerWaalsContact CG2-NE2 3.31Å; W9-Q40 CarbonylContact O-C 3.55Å; W9-Q40 WeakPolarHBondContact O-CA 3.37Å; D10-Q40 WeakPolarHBondContact OD1-CG 3.16Å; D10-Q40 PolarHBondContact OD1-NE2 3.09Å; Q40-T54 WeakPolarHBondContact O-CA 3.49Å; Q40-I55 PolarHBondContact N-O 2.96Å; Q40-I55 PolarHBondContact O-N 2.87Å; Q40-M134 PolarHBondContact NE2-SD 2.99Å
41K97.9Very high96.3Very high16 Ų1661.4 Ų61.47%0.0733%0.33CS..EExtended strand (participates in β ladder)trans-107.9131.7169.5-76.1-179.7179.9-71.70110.4T8 W9 Q53 T54 L116 F131T8-K41 CarbonylContact C-O 3.56Å; T8-K41 WeakPolarHBondContact CA-O 3.38Å; W9-K41 HydrophobicContact CB-CB 4.23Å; W9-K41 PolarHBondContact N-O 2.71Å; W9-K41 PolarHBondContact O-N 2.88Å; K41-Q53 CarbonylContact C-O 3.57Å; K41-Q53 VanDerWaalsContact CA-O 3.24Å; K41-Q53 WeakPolarHBondContact CA-O 3.33Å; K41-T54 PolarHBondContact NZ-OG1 3.2Å; K41-T54 VanDerWaalsContact NZ-OG1 3.16Å; K41-L116 HydrophobicContact CD-CD2 4.07Å; K41-F131 HydrophobicContact CD-CD1 4.24Å; K41-F131 HydrophobicContact CD-CD2 4.19Å; K41-F131 HydrophobicContact CD-CE1 3.84Å; K41-F131 HydrophobicContact CD-CE2 3.78Å; K41-F131 HydrophobicContact CD-CG 4.43Å; K41-F131 HydrophobicContact CD-CZ 3.63Å; K41-F131 VanDerWaalsContact CE-CE2 3.47Å; K41-F131 HydrophobicContact CG-CD1 4.27Å; K41-F131 HydrophobicContact CG-CE1 3.84Å; K41-F131 HydrophobicContact CG-CZ 4.09Å
42V98.3Very high96.3Very high25 Ų2560.4 Ų60.415%0.15233%0.328CS..EExtended strand (participates in β ladder)trans-114.1122.7169.7-175.80000107.3T8 Q53 I55T8-V42 HydrophobicContact CG2-CG2 4.19Å; V42-Q53 HydrophobicContact CB-CB 4.2Å; V42-Q53 PolarHBondContact N-O 2.84Å; V42-Q53 PolarHBondContact O-N 3.2Å; V42-I55 HydrophobicContact CG2-CD1 4.09Å
43I98.4Very high96.4Very high6 Ų657.2 Ų57.23%0.03131%0.314CS..EExtended strand (participates in β ladder)trans-117.6125.9-179.3-55-174.8000108.5F5 N6 G7 F50 L52 L116F5-I43 HydrophobicContact CB-CD1 4.19Å; F5-I43 HydrophobicContact CB-CG2 3.76Å; F5-I43 HydrophobicContact CD1-CD1 4.48Å; F5-I43 WeakPolarHBondContact O-CB 3.36Å; F5-I43 WeakPolarHBondContact O-CG2 3.28Å; N6-I43 WeakPolarHBondContact CA-O 3.35Å; G7-I43 PolarHBondContact N-O 2.86Å; G7-I43 PolarHBondContact O-N 2.85Å; I43-F50 HydrophobicContact CG2-CD1 4.32Å; I43-L52 HydrophobicContact CB-CD2 4.03Å; I43-L52 HydrophobicContact CD1-CD2 3.89Å; I43-L52 HydrophobicContact CG1-CD2 3.6Å; I43-L52 HydrophobicContact CG2-CD2 3.61Å; I43-L116 HydrophobicContact CD1-CD1 4.43Å; I43-L116 HydrophobicContact CD1-CD2 3.72Å
44K98.3Very high96.5Very high129 Ų12955.1 Ų55.156%0.56130%0.302SS*.EExtended strand (participates in β ladder)trans-114.5126.2167.6-61.7-179.2-179.5179.70108.2N6 F50 T51N6-K44 WeakPolarHBondContact OD1-CA 3.42Å; K44-F50 CarbonylContact O-C 3.57Å; K44-F50 VanDerWaalsContact O-CA 3.32Å; K44-F50 WeakPolarHBondContact O-CA 3.39Å; K44-T51 PolarHBondContact N-O 3.26Å; K44-T51 PolarHBondContact O-N 3.4Å
45Q97.4Very high96.6Very high31 Ų3156.4 Ų56.415%0.14531%0.305CS..EExtended strand (participates in β ladder)trans-127.5119.1179.7170.6-178.9-3.400108.6A3 N6 S49 F50A3-Q45 PolarHBondContact O-NE2 3.11Å; A3-Q45 PolarHBondContact O-OE1 3.5Å; N6-Q45 PolarHBondContact ND2-O 2.98Å; N6-Q45 PolarHBondContact OD1-N 3.4Å; N6-Q45 PolarHBondContact OD1-O 3.27Å; Q45-S49 WeakPolarHBondContact CA-O 3.43Å; Q45-F50 HydrophobicContact CB-CD1 3.88Å; Q45-F50 HydrophobicContact CB-CE1 3.6Å; Q45-F50 HydrophobicContact CB-CZ 4.06Å; Q45-F50 VanDerWaalsContact CD-CE1 3.45Å; Q45-F50 HydrophobicContact CG-CD1 4.15Å; Q45-F50 HydrophobicContact CG-CE1 3.51Å; Q45-F50 HydrophobicContact CG-CE2 3.97Å; Q45-F50 HydrophobicContact CG-CZ 3.41Å; Q45-F50 VanDerWaalsContact CG-CZ 3.41Å
46D96.9Very high96.6Very high133 Ų13354.3 Ų54.371%0.71129%0.29SS*.EExtended strand (participates in β ladder)trans-123.194.4173.8-177.819.6000109D48 S49D46-D48 PolarHBondContact O-N 3.27Å; D46-D48 VanDerWaalsContact O-N 3.12Å; D46-S49 PolarHBondContact N-O 2.9Å; D46-S49 WeakPolarHBondContact O-CB 3.41Å; D46-S49 PolarHBondContact O-N 3.03Å
47G94.9Very high96.4Very high52 Ų5252.8 Ų52.854%0.53629%0.293SS..THydrogen-bonded Turntrans57.9-114.6-168.600000111.1
48D96.3Very high96.2Very high77 Ų7756.4 Ų56.441%0.41232%0.316SS..THydrogen-bonded Turntrans-93.1-1.2177.6-70.3-33.6000113.6D46 K66 I67D46-D48 PolarHBondContact O-N 3.27Å; D46-D48 VanDerWaalsContact O-N 3.12Å; D48-K66 HydrophobicContact CB-CG 4.27Å; D48-K66 CarbonylContact O-C 3.54Å; D48-K66 VanDerWaalsContact O-CA 3.3Å; D48-K66 WeakPolarHBondContact O-CA 3.36Å; D48-I67 HydrophobicContact CB-CB 4.02Å; D48-I67 HydrophobicContact CB-CG1 4.12Å; D48-I67 WeakPolarHBondContact O-CG1 3.31Å; D48-I67 PolarHBondContact O-N 3.19Å
49S98Very high96Very high56 Ų5649.8 Ų49.839%0.39229%0.29SS..EExtended strand (participates in β ladder)trans-93.8127.6178-54.70000110.1Q45 D46Q45-S49 WeakPolarHBondContact CA-O 3.43Å; D46-S49 PolarHBondContact N-O 2.9Å; D46-S49 WeakPolarHBondContact O-CB 3.41Å; D46-S49 PolarHBondContact O-N 3.03Å
50F98.4Very high95.8Very high3 Ų356.1 Ų56.11%0.01332%0.315CS..EExtended strand (participates in β ladder)trans-124.5143.5-177.7-74.9-102.5000111.4F5 I43 K44 Q45 S64 F65 I67 W89 L94F5-F50 HydrophobicContact CB-CE1 4.37Å; F5-F50 HydrophobicContact CD2-CE1 4.44Å; I43-F50 HydrophobicContact CG2-CD1 4.32Å; K44-F50 CarbonylContact O-C 3.57Å; K44-F50 VanDerWaalsContact O-CA 3.32Å; K44-F50 WeakPolarHBondContact O-CA 3.39Å; Q45-F50 HydrophobicContact CB-CD1 3.88Å; Q45-F50 HydrophobicContact CB-CE1 3.6Å; Q45-F50 HydrophobicContact CB-CZ 4.06Å; Q45-F50 VanDerWaalsContact CD-CE1 3.45Å; Q45-F50 HydrophobicContact CG-CD1 4.15Å; Q45-F50 HydrophobicContact CG-CE1 3.51Å; Q45-F50 HydrophobicContact CG-CE2 3.97Å; Q45-F50 HydrophobicContact CG-CZ 3.41Å; Q45-F50 VanDerWaalsContact CG-CZ 3.41Å; F50-S64 CarbonylContact O-C 3.54Å; F50-S64 WeakPolarHBondContact O-CA 3.31Å; F50-F65 HydrophobicContact CB-CD1 4.32Å; F50-F65 HydrophobicContact CB-CD2 4.04Å; F50-F65 HydrophobicContact CB-CE1 3.85Å; F50-F65 HydrophobicContact CB-CE2 3.52Å; F50-F65 HydrophobicContact CB-CG 4.41Å; F50-F65 HydrophobicContact CB-CZ 3.41Å; F50-F65 VanDerWaalsContact CB-CZ 3.41Å; F50-F65 HydrophobicContact CD1-CZ 4.35Å; F50-F65 AromaticContact CD2-CE2 3.82Å; F50-F65 HydrophobicContact CD2-CE2 3.82Å; F50-F65 HydrophobicContact CD2-CZ 4.34Å; F50-F65 AromaticContact CG-CE2 3.75Å; F50-F65 HydrophobicContact CG-CE2 3.75Å; F50-F65 AromaticContact CG-CZ 3.81Å; F50-F65 HydrophobicContact CG-CZ 3.81Å; F50-F65 PolarHBondContact N-O 3.13Å; F50-F65 PolarHBondContact O-N 2.77Å; F50-I67 HydrophobicContact CD2-CD1 4.09Å; F50-I67 HydrophobicContact CD2-CG1 4.12Å; F50-I67 HydrophobicContact CE2-CD1 3.82Å; F50-I67 HydrophobicContact CE2-CG1 3.77Å; F50-W89 HydrophobicContact CE2-CZ2 4.3Å; F50-W89 HydrophobicContact CZ-CH2 4.25Å; F50-W89 AromaticContact CZ-CZ2 3.84Å; F50-W89 HydrophobicContact CZ-CZ2 3.84Å; F50-L94 HydrophobicContact CD1-CD1 4.19Å; F50-L94 HydrophobicContact CE1-CD1 3.66Å; F50-L94 HydrophobicContact CZ-CD1 3.99Å; F50-L94 HydrophobicContact CZ-CD2 4.21Å
51T98.3Very high95.7Very high37 Ų3754.7 Ų54.723%0.22731%0.307CS..EExtended strand (participates in β ladder)trans-125.4119162-59.80000108.6K44 Q53 E62 C63 S64K44-T51 PolarHBondContact N-O 3.26Å; K44-T51 PolarHBondContact O-N 3.4Å; T51-Q53 HydrophobicContact CG2-CG 4.46Å; T51-E62 HydrophobicContact CG2-CG 4.02Å; T51-C63 WeakPolarHBondContact CA-O 3.3Å; T51-S64 WeakPolarHBondContact CG2-OG 3.33Å; T51-S64 PolarHBondContact OG1-OG 2.79Å
52L97.6Very high95.6Very high15 Ų1559 Ų598%0.07933%0.328CS..EExtended strand (participates in β ladder)trans-107.3124.8174.8-54.7-177.1000109.4I43 E62 C63 F65 W107I43-L52 HydrophobicContact CB-CD2 4.03Å; I43-L52 HydrophobicContact CD1-CD2 3.89Å; I43-L52 HydrophobicContact CG1-CD2 3.6Å; I43-L52 HydrophobicContact CG2-CD2 3.61Å; L52-E62 CarbonylContact O-C 3.59Å; L52-E62 VanDerWaalsContact O-CA 3.3Å; L52-E62 WeakPolarHBondContact O-CA 3.07Å; L52-C63 PolarHBondContact N-O 2.84Å; L52-C63 PolarHBondContact O-N 2.93Å; L52-F65 HydrophobicContact CD1-CE1 3.66Å; L52-F65 HydrophobicContact CD1-CZ 4.12Å; L52-F65 HydrophobicContact CG-CE1 3.82Å; L52-F65 HydrophobicContact CG-CZ 4.35Å; L52-W107 HydrophobicContact CD1-CH2 3.93Å; L52-W107 HydrophobicContact CD1-CZ2 4.01Å
53Q97.2Very high95.4Very high37 Ų3758.3 Ų58.317%0.17332%0.324CS..EExtended strand (participates in β ladder)trans-113.4134.7169.3-62.7177.2-14.900109.4K41 V42 T51 I55 Y61 E62K41-Q53 CarbonylContact C-O 3.57Å; K41-Q53 VanDerWaalsContact CA-O 3.24Å; K41-Q53 WeakPolarHBondContact CA-O 3.33Å; V42-Q53 HydrophobicContact CB-CB 4.2Å; V42-Q53 PolarHBondContact N-O 2.84Å; V42-Q53 PolarHBondContact O-N 3.2Å; T51-Q53 HydrophobicContact CG2-CG 4.46Å; Q53-I55 HydrophobicContact CB-CD1 4.17Å; Q53-I55 HydrophobicContact CB-CG1 4.16Å; Q53-Y61 CarbonylContact C-O 3.58Å; Q53-Y61 WeakPolarHBondContact CA-O 3.33Å; Q53-E62 HydrophobicContact CG-CB 4.2Å; Q53-E62 HydrophobicContact CG-CG 3.92Å; Q53-E62 PolarHBondContact NE2-OE2 2.8Å
54T96.6Very high95.4Very high21 Ų2161 Ų6113%0.12934%0.343CS..EExtended strand (participates in β ladder)trans-116.8117.3168.8-58.80000108.1P39 Q40 K41 Y61P39-T54 HydrophobicContact CB-CG2 3.77Å; P39-T54 HydrophobicContact CG-CG2 4.39Å; Q40-T54 WeakPolarHBondContact O-CA 3.49Å; K41-T54 PolarHBondContact NZ-OG1 3.2Å; K41-T54 VanDerWaalsContact NZ-OG1 3.16Å; T54-Y61 PolarHBondContact N-O 3.39Å; T54-Y61 PolarHBondContact O-N 2.92Å
55I95.6Very high95.4Very high49 Ų4955.4 Ų55.425%0.25132%0.319SS..EExtended strand (participates in β ladder)trans-126.1132.1-166.9-53.4171.2000109P39 Q40 V42 Q53 L59P39-I55 CarbonylContact C-O 3.55Å; P39-I55 WeakPolarHBondContact CA-O 3.46Å; P39-I55 WeakPolarHBondContact CB-O 3.1Å; Q40-I55 PolarHBondContact N-O 2.96Å; Q40-I55 PolarHBondContact O-N 2.87Å; V42-I55 HydrophobicContact CG2-CD1 4.09Å; Q53-I55 HydrophobicContact CB-CD1 4.17Å; Q53-I55 HydrophobicContact CB-CG1 4.16Å; I55-L59 CarbonylContact C-O 3.55Å; I55-L59 WeakPolarHBondContact CA-O 3.47Å
56S93.9Very high95.4Very high25 Ų2558.1 Ų58.118%0.17533%0.33CS..  trans-140.6-176.2171.162.90000109.4V58 L59S56-V58 PolarHBondContact O-N 3.25Å; S56-V58 PolarHBondContact OG-N 3.06Å; S56-L59 PolarHBondContact N-O 3.43Å; S56-L59 WeakPolarHBondContact OG-CB 3.31Å; S56-L59 PolarHBondContact OG-N 3.44Å; S56-L59 PolarHBondContact OG-O 3.38Å
57S90.9Very high95.5Very high111 Ų11153 Ų5378%0.77630%0.302SS*.SBendtrans-62.6-18174.353.10000114.1L37L37-S57 WeakPolarHBondContact CD2-OG 3.32Å
58V89.3Confident95.6Very high107 Ų10752.6 Ų52.665%0.64830%0.298SS*.SBendtrans-123.3-41.7-174.6-177.10000112.7V33 L37 S56V33-V58 HydrophobicContact CG1-CG2 4.5Å; L37-V58 HydrophobicContact CD1-CB 4.26Å; L37-V58 HydrophobicContact CD2-CG2 4.07Å; S56-V58 PolarHBondContact O-N 3.25Å; S56-V58 PolarHBondContact OG-N 3.06Å
59L88.4Confident95.7Very high40 Ų4053.5 Ų53.521%0.20930%0.3CS..  trans-102.7132.9-177.317764.4000111.1I55 S56 G77 M78I55-L59 CarbonylContact C-O 3.55Å; I55-L59 WeakPolarHBondContact CA-O 3.47Å; S56-L59 PolarHBondContact N-O 3.43Å; S56-L59 WeakPolarHBondContact OG-CB 3.31Å; S56-L59 PolarHBondContact OG-N 3.44Å; S56-L59 PolarHBondContact OG-O 3.38Å; L59-G77 WeakPolarHBondContact CD1-O 3.26Å; L59-M78 HydrophobicContact CD1-CG 4.49Å; L59-M78 HydrophobicContact CD2-CG 4.19Å
60K92.4Very high95.8Very high153 Ų15355.8 Ų55.867%0.66531%0.305SS*.EExtended strand (participates in β ladder)trans-126.2109.5161.2-174.6175.8-177.2179.50108.5
61Y94.7Very high95.8Very high26 Ų2657.6 Ų57.610%0.10231%0.313CS..EExtended strand (participates in β ladder)trans-117.4139.6176.5168.6-92.8000109.1Q53 T54 C63 E73 M78Q53-Y61 CarbonylContact C-O 3.58Å; Q53-Y61 WeakPolarHBondContact CA-O 3.33Å; T54-Y61 PolarHBondContact N-O 3.39Å; T54-Y61 PolarHBondContact O-N 2.92Å; Y61-C63 HydrophobicContact CE1-CB 3.89Å; Y61-C63 WeakPolarHBondContact OH-CB 3.11Å; Y61-E73 VanDerWaalsContact OH-CD 3.26Å; Y61-E73 PolarHBondContact OH-OE1 3.43Å; Y61-M78 HydrophobicContact CD2-SD 4.1Å; Y61-M78 HydrophobicContact CE2-SD 4.38Å; Y61-M78 HydrophobicContact CG-SD 4.19Å
62E95.1Very high95.7Very high106 Ų10661.9 Ų61.950%0.49533%0.33SS..EExtended strand (participates in β ladder)trans-135.8139.6177.9-179.6177.8108.300109.5T51 L52 Q53T51-E62 HydrophobicContact CG2-CG 4.02Å; L52-E62 CarbonylContact O-C 3.59Å; L52-E62 VanDerWaalsContact O-CA 3.3Å; L52-E62 WeakPolarHBondContact O-CA 3.07Å; Q53-E62 HydrophobicContact CG-CB 4.2Å; Q53-E62 HydrophobicContact CG-CG 3.92Å; Q53-E62 PolarHBondContact NE2-OE2 2.8Å
63C94.8Very high95.7Very high10 Ų1061.5 Ų61.57%0.06833%0.328CS..EExtended strand (participates in β ladder)trans-136.4128.6174-179.60000108.8T51 L52 Y61 F71T51-C63 WeakPolarHBondContact CA-O 3.3Å; L52-C63 PolarHBondContact N-O 2.84Å; L52-C63 PolarHBondContact O-N 2.93Å; Y61-C63 HydrophobicContact CE1-CB 3.89Å; Y61-C63 WeakPolarHBondContact OH-CB 3.11Å; C63-F71 WeakPolarHBondContact SG-CE2 3.2Å; C63-F71 WeakPolarHBondContact SG-CZ 3.32Å
64S97.6Very high95.6Very high62 Ų6263.2 Ų63.243%0.43434%0.341SS..EExtended strand (participates in β ladder)trans-118135170.8-62.50000109.6F50 T51F50-S64 CarbonylContact O-C 3.54Å; F50-S64 WeakPolarHBondContact O-CA 3.31Å; T51-S64 WeakPolarHBondContact CG2-OG 3.33Å; T51-S64 PolarHBondContact OG1-OG 2.79Å
65F98.3Very high95.4Very high13 Ų1362.2 Ų62.26%0.05733%0.334CS..EExtended strand (participates in β ladder)trans-151165.9-177.160.4-94.1000110.7F50 L52 I67 F71 V87 W107F50-F65 HydrophobicContact CB-CD1 4.32Å; F50-F65 HydrophobicContact CB-CD2 4.04Å; F50-F65 HydrophobicContact CB-CE1 3.85Å; F50-F65 HydrophobicContact CB-CE2 3.52Å; F50-F65 HydrophobicContact CB-CG 4.41Å; F50-F65 HydrophobicContact CB-CZ 3.41Å; F50-F65 VanDerWaalsContact CB-CZ 3.41Å; F50-F65 HydrophobicContact CD1-CZ 4.35Å; F50-F65 AromaticContact CD2-CE2 3.82Å; F50-F65 HydrophobicContact CD2-CE2 3.82Å; F50-F65 HydrophobicContact CD2-CZ 4.34Å; F50-F65 AromaticContact CG-CE2 3.75Å; F50-F65 HydrophobicContact CG-CE2 3.75Å; F50-F65 AromaticContact CG-CZ 3.81Å; F50-F65 HydrophobicContact CG-CZ 3.81Å; F50-F65 PolarHBondContact N-O 3.13Å; F50-F65 PolarHBondContact O-N 2.77Å; L52-F65 HydrophobicContact CD1-CE1 3.66Å; L52-F65 HydrophobicContact CD1-CZ 4.12Å; L52-F65 HydrophobicContact CG-CE1 3.82Å; L52-F65 HydrophobicContact CG-CZ 4.35Å; F65-I67 HydrophobicContact CE2-CD1 3.99Å; F65-F71 HydrophobicContact CB-CD1 3.73Å; F65-F71 HydrophobicContact CB-CE1 3.43Å; F65-F71 VanDerWaalsContact CB-CE1 3.43Å; F65-F71 HydrophobicContact CB-CG 4.44Å; F65-F71 HydrophobicContact CB-CZ 3.89Å; F65-F71 HydrophobicContact CD1-CZ 4.44Å; F65-F71 HydrophobicContact CG-CE1 4.17Å; F65-F71 HydrophobicContact CG-CZ 4.48Å; F65-V87 HydrophobicContact CD1-CG2 4.04Å; F65-V87 HydrophobicContact CD2-CB 3.66Å; F65-V87 HydrophobicContact CD2-CG1 4.25Å; F65-V87 HydrophobicContact CD2-CG2 3.62Å; F65-V87 HydrophobicContact CE1-CG2 4.05Å; F65-V87 HydrophobicContact CE2-CB 3.53Å; F65-V87 HydrophobicContact CE2-CG1 3.59Å; F65-V87 HydrophobicContact CE2-CG2 3.65Å; F65-V87 HydrophobicContact CG-CB 4.37Å; F65-V87 HydrophobicContact CG-CG2 3.83Å; F65-V87 HydrophobicContact CZ-CB 4.15Å; F65-V87 HydrophobicContact CZ-CG1 3.95Å; F65-V87 HydrophobicContact CZ-CG2 3.87Å; F65-W107 HydrophobicContact CE1-CH2 4.25Å; F65-W107 HydrophobicContact CE1-CZ2 4.31Å; F65-W107 HydrophobicContact CZ-CH2 4.06Å
66K98.4Very high95.1Very high87 Ų8767.6 Ų67.638%0.37836%0.356SS..EExtended strand (participates in β ladder)trans-119.1139.6168.7-176.2166165.7-138.50109.2D48 G68 E69D48-K66 HydrophobicContact CB-CG 4.27Å; D48-K66 CarbonylContact O-C 3.54Å; D48-K66 VanDerWaalsContact O-CA 3.3Å; D48-K66 WeakPolarHBondContact O-CA 3.36Å; K66-G68 PolarHBondContact O-N 3.48Å; K66-E69 HydrophobicContact CB-CB 4.37Å; K66-E69 HydrophobicContact CB-CG 4.34Å; K66-E69 VanDerWaalsContact CD-OE1 3.27Å; K66-E69 WeakPolarHBondContact CD-OE1 3.48Å; K66-E69 VanDerWaalsContact CE-OE1 3.32Å; K66-E69 WeakPolarHBondContact CE-OE1 3.18Å; K66-E69 HydrophobicContact CG-CG 4.44Å; K66-E69 IonicContact NZ-OE1 3.48Å; K66-E69 PolarHBondContact NZ-OE1 2.83Å; K66-E69 PolarHBondContact O-N 3.26Å; K66-E69 VanDerWaalsContact O-N 3.12Å
67I98.2Very high94.6Very high25 Ų2568.7 Ų68.713%0.12837%0.372CS..THydrogen-bonded Turntrans-55.9131.6-178.5-61.4-64.1000110.3D48 F50 F65 E69 V87 W89 L94D48-I67 HydrophobicContact CB-CB 4.02Å; D48-I67 HydrophobicContact CB-CG1 4.12Å; D48-I67 WeakPolarHBondContact O-CG1 3.31Å; D48-I67 PolarHBondContact O-N 3.19Å; F50-I67 HydrophobicContact CD2-CD1 4.09Å; F50-I67 HydrophobicContact CD2-CG1 4.12Å; F50-I67 HydrophobicContact CE2-CD1 3.82Å; F50-I67 HydrophobicContact CE2-CG1 3.77Å; F65-I67 HydrophobicContact CE2-CD1 3.99Å; I67-E69 VanDerWaalsContact C-N 3.26Å; I67-E69 PolarHBondContact O-N 3.16Å; I67-V87 WeakPolarHBondContact CA-O 3.42Å; I67-V87 HydrophobicContact CD1-CB 4.44Å; I67-V87 HydrophobicContact CD1-CG1 4.08Å; I67-W89 HydrophobicContact CG2-CG 4.5Å; I67-L94 HydrophobicContact CD1-CD2 3.59Å
68G98.3Very high94.5Very high44 Ų4466.4 Ų66.445%0.45435%0.35SS..THydrogen-bonded Turntrans80.2-6.3179.200000115.5K66 V87 N88K66-G68 PolarHBondContact O-N 3.48Å; G68-V87 PolarHBondContact N-O 2.88Å; G68-N88 WeakPolarHBondContact CA-OD1 3.49Å
69E98.6Very high94.7Very high96 Ų9662.3 Ų62.345%0.44932%0.324SS..  trans-100.3124.2-178.3-63.2-176.6-166.100110.9K66 I67K66-E69 HydrophobicContact CB-CB 4.37Å; K66-E69 HydrophobicContact CB-CG 4.34Å; K66-E69 VanDerWaalsContact CD-OE1 3.27Å; K66-E69 WeakPolarHBondContact CD-OE1 3.48Å; K66-E69 VanDerWaalsContact CE-OE1 3.32Å; K66-E69 WeakPolarHBondContact CE-OE1 3.18Å; K66-E69 HydrophobicContact CG-CG 4.44Å; K66-E69 IonicContact NZ-OE1 3.48Å; K66-E69 PolarHBondContact NZ-OE1 2.83Å; K66-E69 PolarHBondContact O-N 3.26Å; K66-E69 VanDerWaalsContact O-N 3.12Å; I67-E69 VanDerWaalsContact C-N 3.26Å; I67-E69 PolarHBondContact O-N 3.16Å
70E98.4Very high95Very high104 Ų10465.6 Ų65.649%0.48634%0.342SS..  trans-68.7137.5172.7-75.1-167.9150.600110.3S85 V86 K99E70-S85 CarbonylContact C-O 3.55Å; E70-S85 WeakPolarHBondContact CA-O 3.45Å; E70-V86 HydrophobicContact CG-CB 3.98Å; E70-V86 HydrophobicContact CG-CG2 4.31Å; E70-K99 IonicContact OE1-NZ 2.71Å; E70-K99 PolarHBondContact OE1-NZ 2.8Å
71F98.3Very high95.2Very high41 Ų4160 Ų6018%0.1832%0.316CS..EExtended strand (participates in β ladder)trans-137.3156.217766.9-80.8000112.3C63 F65 E73 S85 V87C63-F71 WeakPolarHBondContact SG-CE2 3.2Å; C63-F71 WeakPolarHBondContact SG-CZ 3.32Å; F65-F71 HydrophobicContact CB-CD1 3.73Å; F65-F71 HydrophobicContact CB-CE1 3.43Å; F65-F71 VanDerWaalsContact CB-CE1 3.43Å; F65-F71 HydrophobicContact CB-CG 4.44Å; F65-F71 HydrophobicContact CB-CZ 3.89Å; F65-F71 HydrophobicContact CD1-CZ 4.44Å; F65-F71 HydrophobicContact CG-CE1 4.17Å; F65-F71 HydrophobicContact CG-CZ 4.48Å; F71-E73 HydrophobicContact CD2-CB 4.22Å; F71-E73 HydrophobicContact CE2-CB 3.74Å; F71-E73 HydrophobicContact CE2-CG 4.06Å; F71-S85 WeakPolarHBondContact CD1-O 3.34Å; F71-S85 WeakPolarHBondContact CE1-O 3.42Å; F71-S85 VanDerWaalsContact CZ-CB 3.41Å; F71-S85 PolarHBondContact N-O 3.1Å; F71-S85 PolarHBondContact O-N 3.27Å; F71-V87 HydrophobicContact CE1-CG2 4.32Å
72E97.6Very high95.3Very high127 Ų12765.5 Ų65.559%0.59334%0.341SS*.EExtended strand (participates in β ladder)trans-80.3121.3170.5-174.9172.7143.800109.2K82E72-K82 WeakPolarHBondContact OE1-CE 3.47Å; E72-K82 IonicContact OE1-NZ 2.96Å; E72-K82 PolarHBondContact OE1-NZ 2.85Å
73E96.5Very high95.4Very high7 Ų760.7 Ų60.73%0.03332%0.319CS..EExtended strand (participates in β ladder)trans-111133177.3-169.3-168.8154.400109.8Y61 F71 T75 K82 C83 S85 Q98Y61-E73 VanDerWaalsContact OH-CD 3.26Å; Y61-E73 PolarHBondContact OH-OE1 3.43Å; F71-E73 HydrophobicContact CD2-CB 4.22Å; F71-E73 HydrophobicContact CE2-CB 3.74Å; F71-E73 HydrophobicContact CE2-CG 4.06Å; E73-T75 HydrophobicContact CG-CG2 4.44Å; E73-T75 WeakPolarHBondContact OE1-CG2 3.35Å; E73-K82 CarbonylContact O-C 3.57Å; E73-K82 WeakPolarHBondContact O-CA 3.43Å; E73-C83 HydrophobicContact CB-CB 4.44Å; E73-C83 PolarHBondContact N-O 2.95Å; E73-C83 PolarHBondContact O-N 3.44Å; E73-S85 WeakPolarHBondContact OE2-CB 3.24Å; E73-S85 PolarHBondContact OE2-OG 3.27Å; E73-Q98 PolarHBondContact OE1-NE2 2.7Å; E73-Q98 PolarHBondContact OE2-NE2 2.73Å
74V95.1Very high95.5Very high73 Ų7368.4 Ų68.444%0.44235%0.347SS..EExtended strand (participates in β ladder)trans-113.8114.8169.9-171.90000108.6K76 R81 K82V74-K76 HydrophobicContact CG1-CB 4.38Å; V74-K76 PolarHBondContact O-N 2.76Å; V74-R81 WeakPolarHBondContact CA-O 3.5Å; V74-K82 HydrophobicContact CG2-CG 4.29Å
75T93.1Very high95.6Very high0 Ų065.4 Ų65.40%033%0.326CS..  trans-81.249.4-176.757.60000111.8E73 G77 M78 D79 N80 R81E73-T75 HydrophobicContact CG-CG2 4.44Å; E73-T75 WeakPolarHBondContact OE1-CG2 3.35Å; T75-G77 PolarHBondContact O-N 2.52Å; T75-M78 WeakPolarHBondContact O-CB 3.24Å; T75-M78 PolarHBondContact O-N 2.81Å; T75-D79 VanDerWaalsContact CB-OD1 3.24Å; T75-D79 WeakPolarHBondContact CB-OD1 3.41Å; T75-D79 PolarHBondContact OG1-OD1 2.84Å; T75-N80 PolarHBondContact O-N 2.57Å; T75-R81 PolarHBondContact N-O 2.93Å; T75-R81 PolarHBondContact OG1-N 2.97Å; T75-R81 PolarHBondContact OG1-O 3.01Å
76K88.6Confident95.6Very high162 Ų16265.7 Ų65.770%0.70433%0.328SS*.THydrogen-bonded Turntrans-60.5133.2-176.1-173.8178.4179.8-179.70110.6V74 M78V74-K76 HydrophobicContact CG1-CB 4.38Å; V74-K76 PolarHBondContact O-N 2.76Å; K76-M78 PolarHBondContact O-N 2.89Å
77G83.4Confident95.6Very high49 Ų4961.5 Ų61.551%0.50531%0.31SS..THydrogen-bonded Turntrans79.3-3.7-176.700000114.1L59 T75 N80L59-G77 WeakPolarHBondContact CD1-O 3.26Å; T75-G77 PolarHBondContact O-N 2.52Å; G77-N80 PolarHBondContact N-OD1 2.83Å
78M89.4Confident95.6Very high63 Ų6363.7 Ų63.731%0.3132%0.322SS..THydrogen-bonded Turntrans-104.9-110.5167.7-54.1178.280.700108.2L59 Y61 T75 K76L59-M78 HydrophobicContact CD1-CG 4.49Å; L59-M78 HydrophobicContact CD2-CG 4.19Å; Y61-M78 HydrophobicContact CD2-SD 4.1Å; Y61-M78 HydrophobicContact CE2-SD 4.38Å; Y61-M78 HydrophobicContact CG-SD 4.19Å; T75-M78 WeakPolarHBondContact O-CB 3.24Å; T75-M78 PolarHBondContact O-N 2.81Å; K76-M78 PolarHBondContact O-N 2.89Å
79D94.1Very high95.6Very high20 Ų2064.5 Ų64.511%0.10731%0.312CS..THydrogen-bonded Turntrans-93.71177.369.6-47.1000113.8L24 I26 T75 R81 R105L24-D79 HydrophobicContact CB-CB 4.19Å; L24-D79 HydrophobicContact CD1-CB 4.5Å; I26-D79 HydrophobicContact CD1-CB 4.4Å; I26-D79 HydrophobicContact CG1-CB 4.27Å; T75-D79 VanDerWaalsContact CB-OD1 3.24Å; T75-D79 WeakPolarHBondContact CB-OD1 3.41Å; T75-D79 PolarHBondContact OG1-OD1 2.84Å; D79-R81 VanDerWaalsContact C-N 3.29Å; D79-R81 PolarHBondContact O-N 2.96Å; D79-R81 VanDerWaalsContact OD2-CD 3.27Å; D79-R81 WeakPolarHBondContact OD2-CD 3.4Å; D79-R81 WeakPolarHBondContact OD2-CG 3.38Å; D79-R81 IonicContact OD2-CZ 3.8Å; D79-R81 IonicContact OD2-NH1 2.79Å; D79-R81 PolarHBondContact OD2-NH1 3.2Å; D79-R105 IonicContact OD1-CZ 3.26Å; D79-R105 IonicContact OD1-NH1 2.8Å; D79-R105 PolarHBondContact OD1-NH1 3.46Å; D79-R105 IonicContact OD1-NH2 2.73Å; D79-R105 PolarHBondContact OD1-NH2 3.2Å; D79-R105 IonicContact OD2-CZ 2.73Å; D79-R105 IonicContact OD2-NH1 3.1Å; D79-R105 PolarHBondContact OD2-NH1 2.59Å; D79-R105 IonicContact OD2-NH2 3.93Å; D79-R105 PolarHBondContact OD2-NH2 3.03Å
80N93.9Very high95.5Very high109 Ų10964 Ų6458%0.58331%0.312SS*.  trans56.835.9174.2-56-68.5000114.5T75 G77T75-N80 PolarHBondContact O-N 2.57Å; G77-N80 PolarHBondContact N-OD1 2.83Å
81R96.2Very high95.3Very high36 Ų3665.8 Ų65.814%0.13633%0.325CS..  trans-102.1158.9178.2-69.4-168.8172.991.4-8111.8L24 D25 V74 T75 D79 E101L24-R81 PolarHBondContact O-NH1 3.08Å; D25-R81 IonicContact OD2-CZ 3.93Å; D25-R81 IonicContact OD2-NH2 2.78Å; D25-R81 PolarHBondContact OD2-NH2 2.93Å; V74-R81 WeakPolarHBondContact CA-O 3.5Å; T75-R81 PolarHBondContact N-O 2.93Å; T75-R81 PolarHBondContact OG1-N 2.97Å; T75-R81 PolarHBondContact OG1-O 3.01Å; D79-R81 VanDerWaalsContact C-N 3.29Å; D79-R81 PolarHBondContact O-N 2.96Å; D79-R81 VanDerWaalsContact OD2-CD 3.27Å; D79-R81 WeakPolarHBondContact OD2-CD 3.4Å; D79-R81 WeakPolarHBondContact OD2-CG 3.38Å; D79-R81 IonicContact OD2-CZ 3.8Å; D79-R81 IonicContact OD2-NH1 2.79Å; D79-R81 PolarHBondContact OD2-NH1 3.2Å; R81-E101 WeakPolarHBondContact CD-OE2 3.48Å; R81-E101 IonicContact CZ-OE1 3.6Å; R81-E101 IonicContact CZ-OE2 3.53Å; R81-E101 IonicContact NE-OE1 3.87Å; R81-E101 PolarHBondContact NE-OE1 2.88Å; R81-E101 IonicContact NE-OE2 3.82Å; R81-E101 PolarHBondContact NE-OE2 2.79Å; R81-E101 IonicContact NH2-OE1 3.93Å; R81-E101 PolarHBondContact NH2-OE1 2.75Å; R81-E101 IonicContact NH2-OE2 3.56Å
82K96.8Very high95.1Very high141 Ų14167.7 Ų67.761%0.61334%0.337SS*.EExtended strand (participates in β ladder)trans-95.2131.2167.6-64.3-167.4168.4-149.30109.6E72 E73 V74E72-K82 WeakPolarHBondContact OE1-CE 3.47Å; E72-K82 IonicContact OE1-NZ 2.96Å; E72-K82 PolarHBondContact OE1-NZ 2.85Å; E73-K82 CarbonylContact O-C 3.57Å; E73-K82 WeakPolarHBondContact O-CA 3.43Å; V74-K82 HydrophobicContact CG2-CG 4.29Å
83C97.3Very high95.1Very high6 Ų665.3 Ų65.34%0.04133%0.325CS..EExtended strand (participates in β ladder)trans-126.1152.8173.9-57.60000109.8E73 Q98 K99E73-C83 HydrophobicContact CB-CB 4.44Å; E73-C83 PolarHBondContact N-O 2.95Å; E73-C83 PolarHBondContact O-N 3.44Å; C83-Q98 HydrophobicContact CB-CB 4.14Å; C83-K99 CarbonylContact C-O 3.42Å; C83-K99 WeakPolarHBondContact CA-O 3.28Å
84R98.3Very high95.2Very high171 Ų17165.1 Ų65.165%0.64532%0.324SS*.EExtended strand (participates in β ladder)trans-95.7111.1159.3-81.2-178.2137.9-179.4-8.2107.9K99R84-K99 HydrophobicContact CB-CB 4.44Å; R84-K99 PolarHBondContact N-O 2.74Å; R84-K99 PolarHBondContact O-N 3.1Å
85S98.6Very high95.3Very high0 Ų063.6 Ų63.60%031%0.314CS..EExtended strand (participates in β ladder)trans-110.9144.1-171.2-61.90000110.4E70 F71 E73 V97E70-S85 CarbonylContact C-O 3.55Å; E70-S85 WeakPolarHBondContact CA-O 3.45Å; F71-S85 WeakPolarHBondContact CD1-O 3.34Å; F71-S85 WeakPolarHBondContact CE1-O 3.42Å; F71-S85 VanDerWaalsContact CZ-CB 3.41Å; F71-S85 PolarHBondContact N-O 3.1Å; F71-S85 PolarHBondContact O-N 3.27Å; E73-S85 WeakPolarHBondContact OE2-CB 3.24Å; E73-S85 PolarHBondContact OE2-OG 3.27Å; S85-V97 VanDerWaalsContact CA-O 3.31Å; S85-V97 WeakPolarHBondContact CA-O 3.44Å
86V98.8Very high95.6Very high18 Ų1863.7 Ų63.711%0.10932%0.315CS..EExtended strand (participates in β ladder)trans-140.7134.1172.362.40000109.3E70 C96 V97E70-V86 HydrophobicContact CG-CB 3.98Å; E70-V86 HydrophobicContact CG-CG2 4.31Å; V86-C96 VanDerWaalsContact O-CA 3.3Å; V86-C96 WeakPolarHBondContact O-CA 3.46Å; V86-V97 HydrophobicContact CG1-CB 4.3Å; V86-V97 PolarHBondContact N-O 2.94Å; V86-V97 VanDerWaalsContact N-O 3.09Å; V86-V97 PolarHBondContact O-N 3Å
87V98.8Very high96.1Very high0 Ų059.2 Ų59.20%030%0.302CS..EExtended strand (participates in β ladder)trans-113.3128.9178.1-169.30000108.9F65 I67 G68 F71 L94 V95 C96 W107F65-V87 HydrophobicContact CD1-CG2 4.04Å; F65-V87 HydrophobicContact CD2-CB 3.66Å; F65-V87 HydrophobicContact CD2-CG1 4.25Å; F65-V87 HydrophobicContact CD2-CG2 3.62Å; F65-V87 HydrophobicContact CE1-CG2 4.05Å; F65-V87 HydrophobicContact CE2-CB 3.53Å; F65-V87 HydrophobicContact CE2-CG1 3.59Å; F65-V87 HydrophobicContact CE2-CG2 3.65Å; F65-V87 HydrophobicContact CG-CB 4.37Å; F65-V87 HydrophobicContact CG-CG2 3.83Å; F65-V87 HydrophobicContact CZ-CB 4.15Å; F65-V87 HydrophobicContact CZ-CG1 3.95Å; F65-V87 HydrophobicContact CZ-CG2 3.87Å; I67-V87 WeakPolarHBondContact CA-O 3.42Å; I67-V87 HydrophobicContact CD1-CB 4.44Å; I67-V87 HydrophobicContact CD1-CG1 4.08Å; G68-V87 PolarHBondContact N-O 2.88Å; F71-V87 HydrophobicContact CE1-CG2 4.32Å; V87-L94 HydrophobicContact CG1-CB 4.19Å; V87-L94 HydrophobicContact CG1-CD2 4.33Å; V87-V95 CarbonylContact C-O 3.57Å; V87-V95 WeakPolarHBondContact CA-O 3.32Å; V87-C96 HydrophobicContact CG2-CB 3.92Å; V87-W107 HydrophobicContact CG1-CH2 3.81Å; V87-W107 HydrophobicContact CG1-CZ3 4.29Å; V87-W107 HydrophobicContact CG2-CH2 3.93Å; V87-W107 HydrophobicContact CG2-CZ2 3.91Å
88N98.2Very high96.8Very high70 Ų7057.3 Ų57.337%0.37428%0.279SS..EExtended strand (participates in β ladder)trans-128.9156.6177.7-67.9-75.5000110.7G68 V95G68-N88 WeakPolarHBondContact CA-OD1 3.49Å; N88-V95 PolarHBondContact N-O 3.27Å; N88-V95 PolarHBondContact O-N 3.44Å
89W97.3Very high97.2Very high62 Ų6260 Ų6024%0.23529%0.289CS..EExtended strand (participates in β ladder)trans-73.4131.6165-70.1113000110.3P2 F5 F50 I67 K93 L94P2-W89 HydrophobicContact CB-CH2 3.85Å; P2-W89 HydrophobicContact CB-CZ2 3.52Å; P2-W89 HydrophobicContact CB-CZ3 4.45Å; F5-W89 AromaticContact CD2-CH2 4Å; F5-W89 HydrophobicContact CD2-CH2 4Å; F5-W89 AromaticContact CE2-CH2 3.59Å; F5-W89 HydrophobicContact CE2-CH2 3.59Å; F5-W89 AromaticContact CE2-CZ3 3.65Å; F5-W89 HydrophobicContact CE2-CZ3 3.65Å; F5-W89 HydrophobicContact CZ-CZ3 4.42Å; F50-W89 HydrophobicContact CE2-CZ2 4.3Å; F50-W89 HydrophobicContact CZ-CH2 4.25Å; F50-W89 AromaticContact CZ-CZ2 3.84Å; F50-W89 HydrophobicContact CZ-CZ2 3.84Å; I67-W89 HydrophobicContact CG2-CG 4.5Å; W89-K93 CarbonylContact C-O 3.59Å; W89-K93 WeakPolarHBondContact CA-O 3.47Å; W89-L94 HydrophobicContact CD2-CD2 3.74Å; W89-L94 HydrophobicContact CE3-CD2 3.62Å; W89-L94 HydrophobicContact CE3-CG 4.24Å; W89-L94 HydrophobicContact CH2-CD2 3.56Å; W89-L94 HydrophobicContact CH2-CG 3.98Å; W89-L94 HydrophobicContact CZ2-CD2 3.67Å; W89-L94 HydrophobicContact CZ3-CD2 3.54Å; W89-L94 HydrophobicContact CZ3-CG 3.82Å
90D96.7Very high97.4Very high86 Ų8661.4 Ų61.446%0.4631%0.309SS..EExtended strand (participates in β ladder)trans-118.596.2158.2177.510.8000107.1D92 K93 V95D90-D92 PolarHBondContact O-N 3.18Å; D90-D92 VanDerWaalsContact O-N 3.11Å; D90-K93 PolarHBondContact N-O 2.81Å; D90-K93 WeakPolarHBondContact O-CB 3.16Å; D90-K93 PolarHBondContact O-N 2.9Å; D90-V95 HydrophobicContact CB-CG2 3.7Å
91N93.8Very high97.5Very high141 Ų14162.5 Ų62.575%0.75431%0.311SS*.THydrogen-bonded Turntrans55-111.6-168.2-58.7-72.9000111.8
92D94.4Very high97.6Very high81 Ų8161.6 Ų61.643%0.43331%0.308SS..THydrogen-bonded Turntrans-95.86.717962.4-16.9000113.4D90D90-D92 PolarHBondContact O-N 3.18Å; D90-D92 VanDerWaalsContact O-N 3.11Å
93K97.6Very high97.6Very high77 Ų7762.2 Ų62.234%0.33531%0.31SS..EExtended strand (participates in β ladder)trans-106.8144.3-177.4-47.9-168.8177.2174.10111.8W89 D90 T108 H109 W110W89-K93 CarbonylContact C-O 3.59Å; W89-K93 WeakPolarHBondContact CA-O 3.47Å; D90-K93 PolarHBondContact N-O 2.81Å; D90-K93 WeakPolarHBondContact O-CB 3.16Å; D90-K93 PolarHBondContact O-N 2.9Å; K93-T108 HydrophobicContact CB-CG2 3.99Å; K93-T108 HydrophobicContact CD-CG2 4.05Å; K93-H109 CarbonylContact C-O 3.51Å; K93-H109 WeakPolarHBondContact CA-O 3.34Å; K93-W110 HydrophobicContact CB-CB 4.29Å; K93-W110 HydrophobicContact CD-CB 4.18Å; K93-W110 HydrophobicContact CG-CB 3.77Å
94L98.1Very high97.6Very high2 Ų268.3 Ų68.31%0.0134%0.342CS..EExtended strand (participates in β ladder)trans-94.6113168.3-66.6176.5000109.1F5 F50 I67 V87 W89 W107 T108 H109F5-L94 HydrophobicContact CD1-CD1 4.37Å; F5-L94 HydrophobicContact CD2-CD1 3.96Å; F5-L94 HydrophobicContact CD2-CG 4.44Å; F5-L94 HydrophobicContact CE1-CD1 4.35Å; F5-L94 HydrophobicContact CE2-CD1 3.95Å; F5-L94 HydrophobicContact CE2-CG 3.95Å; F5-L94 HydrophobicContact CG-CD1 4.19Å; F5-L94 HydrophobicContact CZ-CD1 4.14Å; F5-L94 HydrophobicContact CZ-CG 4.05Å; F50-L94 HydrophobicContact CD1-CD1 4.19Å; F50-L94 HydrophobicContact CE1-CD1 3.66Å; F50-L94 HydrophobicContact CZ-CD1 3.99Å; F50-L94 HydrophobicContact CZ-CD2 4.21Å; I67-L94 HydrophobicContact CD1-CD2 3.59Å; V87-L94 HydrophobicContact CG1-CB 4.19Å; V87-L94 HydrophobicContact CG1-CD2 4.33Å; W89-L94 HydrophobicContact CD2-CD2 3.74Å; W89-L94 HydrophobicContact CE3-CD2 3.62Å; W89-L94 HydrophobicContact CE3-CG 4.24Å; W89-L94 HydrophobicContact CH2-CD2 3.56Å; W89-L94 HydrophobicContact CH2-CG 3.98Å; W89-L94 HydrophobicContact CZ2-CD2 3.67Å; W89-L94 HydrophobicContact CZ3-CD2 3.54Å; W89-L94 HydrophobicContact CZ3-CG 3.82Å; L94-W107 HydrophobicContact CB-CZ3 3.99Å; L94-T108 CarbonylContact O-C 3.52Å; L94-T108 VanDerWaalsContact O-CA 3.26Å; L94-T108 WeakPolarHBondContact O-CA 3.43Å; L94-H109 HydrophobicContact CB-CB 4.31Å; L94-H109 PolarHBondContact N-O 2.94Å; L94-H109 PolarHBondContact O-N 2.78Å
95V98.6Very high97.6Very high41 Ų4160.6 Ų60.625%0.24831%0.313CS..EExtended strand (participates in β ladder)trans-108.6120.5179.8-178.50000109.3V87 N88 D90 T108V87-V95 CarbonylContact C-O 3.57Å; V87-V95 WeakPolarHBondContact CA-O 3.32Å; N88-V95 PolarHBondContact N-O 3.27Å; N88-V95 PolarHBondContact O-N 3.44Å; D90-V95 HydrophobicContact CB-CG2 3.7Å; V95-T108 HydrophobicContact CG2-CG2 3.94Å
96C98.8Very high97.6Very high3 Ų360.9 Ų60.92%0.0232%0.317CS..EExtended strand (participates in β ladder)trans-107.2131.7175.1-176.30000111.3V86 V87 G106 W107V86-C96 VanDerWaalsContact O-CA 3.3Å; V86-C96 WeakPolarHBondContact O-CA 3.46Å; V87-C96 HydrophobicContact CG2-CB 3.92Å; C96-G106 CarbonylContact O-C 3.55Å; C96-G106 WeakPolarHBondContact O-CA 3.3Å; C96-W107 HydrophobicContact CB-CD2 3.29Å; C96-W107 HydrophobicContact CB-CE3 3.72Å; C96-W107 HydrophobicContact CB-CG 3.77Å; C96-W107 HydrophobicContact CB-CH2 3.82Å; C96-W107 HydrophobicContact CB-CZ2 3.41Å; C96-W107 VanDerWaalsContact CB-CZ2 3.41Å; C96-W107 HydrophobicContact CB-CZ3 3.95Å; C96-W107 PolarHBondContact N-O 3.27Å; C96-W107 PolarHBondContact O-N 2.88Å; C96-W107 PolarHBondContact SG-NE1 2.86Å
97V98.7Very high97.6Very high68 Ų6861 Ų6141%0.41232%0.315SS..EExtended strand (participates in β ladder)trans-109.4126.9168.4179.20000108.3S85 V86 K99S85-V97 VanDerWaalsContact CA-O 3.31Å; S85-V97 WeakPolarHBondContact CA-O 3.44Å; V86-V97 HydrophobicContact CG1-CB 4.3Å; V86-V97 PolarHBondContact N-O 2.94Å; V86-V97 VanDerWaalsContact N-O 3.09Å; V86-V97 PolarHBondContact O-N 3Å; V97-K99 HydrophobicContact CG1-CG 4.16Å
98Q98.6Very high97.6Very high9 Ų962.5 Ų62.54%0.04232%0.324CS..EExtended strand (participates in β ladder)trans-11196.9179.5-59.9-177.3-57.500109.3E73 C83 R105E73-Q98 PolarHBondContact OE1-NE2 2.7Å; E73-Q98 PolarHBondContact OE2-NE2 2.73Å; C83-Q98 HydrophobicContact CB-CB 4.14Å; Q98-R105 HydrophobicContact CB-CB 4.27Å; Q98-R105 HydrophobicContact CB-CG 3.99Å; Q98-R105 PolarHBondContact N-O 2.74Å
99K98.4Very high97.6Very high118 Ų11859.4 Ų59.451%0.51331%0.308SS..EExtended strand (participates in β ladder)trans-82125.8178.5-63.5175.1-171.3158.20110.1E70 C83 R84 V97E70-K99 IonicContact OE1-NZ 2.71Å; E70-K99 PolarHBondContact OE1-NZ 2.8Å; C83-K99 CarbonylContact C-O 3.42Å; C83-K99 WeakPolarHBondContact CA-O 3.28Å; R84-K99 HydrophobicContact CB-CB 4.44Å; R84-K99 PolarHBondContact N-O 2.74Å; R84-K99 PolarHBondContact O-N 3.1Å; V97-K99 HydrophobicContact CG1-CG 4.16Å
100G97.1Very high97.7Very high51 Ų5158.5 Ų58.553%0.52630%0.304SS..SBendtrans-175.5-148.2179.400000112.2K102G100-K102 VanDerWaalsContact C-N 3.34Å
101E96.9Very high97.7Very high132 Ų13256.1 Ų56.162%0.61729%0.291SS*.SBendtrans-62.3-39.7178.8-173.8-170.1138.800112.7R81R81-E101 WeakPolarHBondContact CD-OE2 3.48Å; R81-E101 IonicContact CZ-OE1 3.6Å; R81-E101 IonicContact CZ-OE2 3.53Å; R81-E101 IonicContact NE-OE1 3.87Å; R81-E101 PolarHBondContact NE-OE1 2.88Å; R81-E101 IonicContact NE-OE2 3.82Å; R81-E101 PolarHBondContact NE-OE2 2.79Å; R81-E101 IonicContact NH2-OE1 3.93Å; R81-E101 PolarHBondContact NH2-OE1 2.75Å; R81-E101 IonicContact NH2-OE2 3.56Å
102K97.7Very high97.8Very high16 Ų1655.6 Ų55.67%0.0728%0.284CS..SBendtrans-87134.7-178.5-68.2-67179.9174.20111.3A23 L24 D25 G100 R105 E123A23-K102 WeakPolarHBondContact O-CD 3.38Å; A23-K102 WeakPolarHBondContact O-CE 3.46Å; A23-K102 PolarHBondContact O-NZ 2.8Å; L24-K102 HydrophobicContact CD2-CG 4.23Å; D25-K102 IonicContact OD1-NZ 3.76Å; D25-K102 PolarHBondContact OD1-NZ 3.03Å; D25-K102 VanDerWaalsContact OD1-NZ 3.1Å; D25-K102 WeakPolarHBondContact OD2-CE 3.35Å; D25-K102 IonicContact OD2-NZ 3.43Å; D25-K102 PolarHBondContact OD2-NZ 3.48Å; G100-K102 VanDerWaalsContact C-N 3.34Å; K102-R105 HydrophobicContact CB-CB 4.33Å; K102-E123 HydrophobicContact CD-CG 4.4Å; K102-E123 WeakPolarHBondContact CD-OE1 3.37Å; K102-E123 IonicContact NZ-OE1 2.74Å; K102-E123 IonicContact NZ-OE2 2.82Å; K102-E123 PolarHBondContact NZ-OE2 2.9Å
103K97.4Very high97.8Very high154 Ų15455.3 Ų55.367%0.6730%0.3SS*.THydrogen-bonded Turntrans-81.8151.5179.7-63.4-179.8-177.7176.50111.4R105 E123K103-R105 PolarHBondContact O-N 2.82Å; K103-E123 HydrophobicContact CB-CG 4.32Å; K103-E123 WeakPolarHBondContact O-CG 3.5Å; K103-E123 PolarHBondContact O-N 3.2Å
104D97.4Very high97.6Very high134 Ų13455.5 Ų55.572%0.71731%0.305SS*.THydrogen-bonded Turntrans50.235.9175.5-50.6-40.4000112.8A121D104-A121 CarbonylContact O-C 3.43Å
105R98.6Very high97.5Very high9 Ų958.7 Ų58.73%0.03432%0.32CS..  trans-88.7130.6-178.7-171.3-168.7176148.112.8109.8D79 Q98 K102 K103 A121 C122D79-R105 IonicContact OD1-CZ 3.26Å; D79-R105 IonicContact OD1-NH1 2.8Å; D79-R105 PolarHBondContact OD1-NH1 3.46Å; D79-R105 IonicContact OD1-NH2 2.73Å; D79-R105 PolarHBondContact OD1-NH2 3.2Å; D79-R105 IonicContact OD2-CZ 2.73Å; D79-R105 IonicContact OD2-NH1 3.1Å; D79-R105 PolarHBondContact OD2-NH1 2.59Å; D79-R105 IonicContact OD2-NH2 3.93Å; D79-R105 PolarHBondContact OD2-NH2 3.03Å; Q98-R105 HydrophobicContact CB-CB 4.27Å; Q98-R105 HydrophobicContact CB-CG 3.99Å; Q98-R105 PolarHBondContact N-O 2.74Å; K102-R105 HydrophobicContact CB-CB 4.33Å; K103-R105 PolarHBondContact O-N 2.82Å; R105-A121 VanDerWaalsContact CA-O 3.31Å; R105-A121 WeakPolarHBondContact CA-O 3.49Å; R105-C122 HydrophobicContact CG-CB 4.48Å
106G98.5Very high97.5Very high7 Ų756.8 Ų56.87%0.07231%0.308CS..EExtended strand (participates in β ladder)trans176.4-172.3179.400000112.3C96 A121C96-G106 CarbonylContact O-C 3.55Å; C96-G106 WeakPolarHBondContact O-CA 3.3Å; G106-A121 PolarHBondContact N-O 3.23Å; G106-A121 PolarHBondContact O-N 3.24Å
107W98.7Very high97.5Very high21 Ų2157.7 Ų57.78%0.0831%0.312CS..EExtended strand (participates in β ladder)trans-153.1157.7175.254.9-103.6000112.7L52 F65 V87 L94 C96 H109 L118 E119 L120L52-W107 HydrophobicContact CD1-CH2 3.93Å; L52-W107 HydrophobicContact CD1-CZ2 4.01Å; F65-W107 HydrophobicContact CE1-CH2 4.25Å; F65-W107 HydrophobicContact CE1-CZ2 4.31Å; F65-W107 HydrophobicContact CZ-CH2 4.06Å; V87-W107 HydrophobicContact CG1-CH2 3.81Å; V87-W107 HydrophobicContact CG1-CZ3 4.29Å; V87-W107 HydrophobicContact CG2-CH2 3.93Å; V87-W107 HydrophobicContact CG2-CZ2 3.91Å; L94-W107 HydrophobicContact CB-CZ3 3.99Å; C96-W107 HydrophobicContact CB-CD2 3.29Å; C96-W107 HydrophobicContact CB-CE3 3.72Å; C96-W107 HydrophobicContact CB-CG 3.77Å; C96-W107 HydrophobicContact CB-CH2 3.82Å; C96-W107 HydrophobicContact CB-CZ2 3.41Å; C96-W107 VanDerWaalsContact CB-CZ2 3.41Å; C96-W107 HydrophobicContact CB-CZ3 3.95Å; C96-W107 PolarHBondContact N-O 3.27Å; C96-W107 PolarHBondContact O-N 2.88Å; C96-W107 PolarHBondContact SG-NE1 2.86Å; W107-H109 AromaticContact CD2-ND1 3.89Å; W107-H109 AromaticContact CE3-CE1 3.79Å; W107-H109 AromaticContact CE3-ND1 3.07Å; W107-H109 AromaticContact CH2-ND1 3.91Å; W107-H109 HydrophobicContact CZ3-CB 4.38Å; W107-H109 AromaticContact CZ3-CE1 3.97Å; W107-H109 AromaticContact CZ3-ND1 3.1Å; W107-H109 WeakPolarHBondContact CZ3-ND1 3.35Å; W107-L118 HydrophobicContact CB-CD1 3.82Å; W107-L118 HydrophobicContact CG-CD1 4.44Å; W107-E119 CarbonylContact C-O 3.46Å; W107-E119 WeakPolarHBondContact CA-O 3.45Å; W107-E119 WeakPolarHBondContact CB-O 3.43Å; W107-L120 HydrophobicContact CB-CD2 3.85Å
108T98.8Very high97.5Very high31 Ų3154.5 Ų54.519%0.1929%0.293CS..EExtended strand (participates in β ladder)trans-129.9124.6173.8-57.40000110.1K93 L94 V95 W110 L118 E119K93-T108 HydrophobicContact CB-CG2 3.99Å; K93-T108 HydrophobicContact CD-CG2 4.05Å; L94-T108 CarbonylContact O-C 3.52Å; L94-T108 VanDerWaalsContact O-CA 3.26Å; L94-T108 WeakPolarHBondContact O-CA 3.43Å; V95-T108 HydrophobicContact CG2-CG2 3.94Å; T108-W110 HydrophobicContact CG2-CE3 4.13Å; T108-L118 WeakPolarHBondContact O-CA 3.12Å; T108-E119 PolarHBondContact N-O 2.96Å; T108-E119 PolarHBondContact O-N 2.72Å
109H98.4Very high97.5Very high5 Ų556.9 Ų56.92%0.02330%0.304CS..EExtended strand (participates in β ladder)trans-105.3142.6169.5-74.293.5000110.6F5 K93 L94 W107 L116 H117 L118F5-H109 HydrophobicContact CE1-CB 3.95Å; K93-H109 CarbonylContact C-O 3.51Å; K93-H109 WeakPolarHBondContact CA-O 3.34Å; L94-H109 HydrophobicContact CB-CB 4.31Å; L94-H109 PolarHBondContact N-O 2.94Å; L94-H109 PolarHBondContact O-N 2.78Å; W107-H109 AromaticContact CD2-ND1 3.89Å; W107-H109 AromaticContact CE3-CE1 3.79Å; W107-H109 AromaticContact CE3-ND1 3.07Å; W107-H109 AromaticContact CH2-ND1 3.91Å; W107-H109 HydrophobicContact CZ3-CB 4.38Å; W107-H109 AromaticContact CZ3-CE1 3.97Å; W107-H109 AromaticContact CZ3-ND1 3.1Å; W107-H109 WeakPolarHBondContact CZ3-ND1 3.35Å; H109-L116 HydrophobicContact CB-CD1 4.38Å; H109-H117 VanDerWaalsContact CA-O 3.29Å; H109-H117 WeakPolarHBondContact CA-O 3.47Å; H109-L118 VanDerWaalsContact CE1-CD1 3.47Å; H109-L118 WeakPolarHBondContact CE1-CD1 3.27Å
110W98.3Very high97.5Very high42 Ų4252.1 Ų52.116%0.15928%0.284CS..EExtended strand (participates in β ladder)trans-152.1163.2169.671.497.3000110.5K93 T108 H117 E119K93-W110 HydrophobicContact CB-CB 4.29Å; K93-W110 HydrophobicContact CD-CB 4.18Å; K93-W110 HydrophobicContact CG-CB 3.77Å; T108-W110 HydrophobicContact CG2-CE3 4.13Å; W110-H117 HydrophobicContact CD2-CB 3.48Å; W110-H117 VanDerWaalsContact CD2-CB 3.48Å; W110-H117 AromaticContact CE2-CG 3.56Å; W110-H117 HydrophobicContact CE3-CB 3.82Å; W110-H117 HydrophobicContact CG-CB 4.12Å; W110-H117 HydrophobicContact CH2-CB 3.66Å; W110-H117 HydrophobicContact CZ2-CB 3.29Å; W110-H117 AromaticContact CZ2-CG 3.67Å; W110-H117 AromaticContact CZ2-ND1 3.96Å; W110-H117 HydrophobicContact CZ3-CB 3.9Å; W110-H117 PolarHBondContact N-O 3.13Å; W110-H117 VanDerWaalsContact N-O 3.14Å; W110-H117 AromaticContact NE1-CD2 3.55Å; W110-H117 AromaticContact NE1-CG 3.53Å; W110-H117 PolarHBondContact O-N 2.92Å; W110-E119 HydrophobicContact CH2-CB 4.48Å; W110-E119 HydrophobicContact CH2-CG 3.72Å; W110-E119 HydrophobicContact CZ3-CB 4.08Å; W110-E119 HydrophobicContact CZ3-CG 3.83Å
111I97.6Very high97.6Very high37 Ų3751.2 Ų51.219%0.1927%0.272CS..EExtended strand (participates in β ladder)trans-112136.1177.9-69.4171.2000109.3D4 F5 W9 E115 L116D4-I111 VanDerWaalsContact O-CD1 3.28Å; D4-I111 WeakPolarHBondContact O-CD1 3.5Å; F5-I111 HydrophobicContact CB-CD1 4.46Å; F5-I111 HydrophobicContact CD1-CD1 3.77Å; F5-I111 HydrophobicContact CD1-CG1 3.97Å; F5-I111 HydrophobicContact CD2-CD1 4.43Å; F5-I111 HydrophobicContact CE1-CD1 4.05Å; F5-I111 HydrophobicContact CE1-CG1 3.84Å; F5-I111 HydrophobicContact CG-CD1 3.98Å; F5-I111 HydrophobicContact CZ-CD1 4.49Å; F5-I111 HydrophobicContact CZ-CG1 4.39Å; W9-I111 HydrophobicContact CH2-CD1 3.97Å; W9-I111 HydrophobicContact CH2-CG1 4.23Å; W9-I111 HydrophobicContact CZ2-CD1 4.06Å; I111-E115 WeakPolarHBondContact CA-O 3.39Å; I111-L116 HydrophobicContact CG1-CD1 4.15Å
112Q95.8Very high97.7Very high130 Ų13045 Ų4561%0.60724%0.242SC*.EExtended strand (participates in β ladder)trans-133.3106.5171-174.4175.7-10.900108.6D114 E115Q112-D114 PolarHBondContact O-N 3.46Å; Q112-E115 PolarHBondContact N-O 3.29Å; Q112-E115 PolarHBondContact O-N 3.31Å; Q112-E115 VanDerWaalsContact O-N 3.16Å
113G93.6Very high97.7Very high75 Ų7548.2 Ų48.277%0.77326%0.258SS*.THydrogen-bonded Turntrans65.2-122.7-174.100000112
114D93.1Very high97.7Very high81 Ų8144 Ų4443%0.43326%0.258SS..THydrogen-bonded Turntrans-95.48.6176.865.1-29.9000113.6Q112 K132 R133Q112-D114 PolarHBondContact O-N 3.46Å; D114-K132 WeakPolarHBondContact OD2-CE 3.34Å; D114-K132 IonicContact OD2-NZ 3.03Å; D114-K132 PolarHBondContact OD2-NZ 3.31Å; D114-R133 PolarHBondContact O-N 2.96Å
115E97.5Very high97.7Very high69 Ų6941.2 Ų41.232%0.32224%0.241SC..EExtended strand (participates in β ladder)trans-105.8134-178.8-60.8-171.6159.300112.1I111 Q112 H117 V130 F131I111-E115 WeakPolarHBondContact CA-O 3.39Å; Q112-E115 PolarHBondContact N-O 3.29Å; Q112-E115 PolarHBondContact O-N 3.31Å; Q112-E115 VanDerWaalsContact O-N 3.16Å; E115-H117 IonicContact OE2-CE1 3.55Å; E115-H117 IonicContact OE2-NE2 3.5Å; E115-V130 HydrophobicContact CB-CG1 3.96Å; E115-V130 HydrophobicContact CG-CG1 4.11Å; E115-V130 WeakPolarHBondContact OE2-CG1 3.44Å; E115-F131 CarbonylContact C-O 3.57Å; E115-F131 VanDerWaalsContact CA-O 3.31Å; E115-F131 WeakPolarHBondContact CA-O 3.36Å
116L98.4Very high97.7Very high0 Ų043.5 Ų43.50%026%0.256CS..EExtended strand (participates in β ladder)trans-95.1120.8164.9171.471.7000108.1F5 W9 K41 I43 H109 I111 F131F5-L116 HydrophobicContact CD1-CD1 3.65Å; F5-L116 HydrophobicContact CE1-CD1 3.81Å; W9-L116 HydrophobicContact CB-CD2 4.06Å; W9-L116 HydrophobicContact CD2-CB 3.65Å; W9-L116 HydrophobicContact CD2-CD2 3.92Å; W9-L116 HydrophobicContact CD2-CG 4.38Å; W9-L116 HydrophobicContact CE3-CB 3.39Å; W9-L116 HydrophobicContact CG-CB 4.23Å; W9-L116 HydrophobicContact CG-CD2 3.7Å; W9-L116 HydrophobicContact CH2-CB 4.09Å; W9-L116 HydrophobicContact CZ2-CB 4.34Å; W9-L116 HydrophobicContact CZ3-CB 3.63Å; K41-L116 HydrophobicContact CD-CD2 4.07Å; I43-L116 HydrophobicContact CD1-CD1 4.43Å; I43-L116 HydrophobicContact CD1-CD2 3.72Å; H109-L116 HydrophobicContact CB-CD1 4.38Å; I111-L116 HydrophobicContact CG1-CD1 4.15Å; L116-F131 HydrophobicContact CB-CB 4.22Å; L116-F131 HydrophobicContact CD2-CD2 4.39Å; L116-F131 PolarHBondContact N-O 2.84Å; L116-F131 PolarHBondContact O-N 3.46Å
117H98.6Very high97.7Very high22 Ų2243.2 Ų43.210%0.10225%0.253CS..EExtended strand (participates in β ladder)trans-100.8147.1174.9-63.6-96.3000110.7H109 W110 E115 Q129H109-H117 VanDerWaalsContact CA-O 3.29Å; H109-H117 WeakPolarHBondContact CA-O 3.47Å; W110-H117 HydrophobicContact CD2-CB 3.48Å; W110-H117 VanDerWaalsContact CD2-CB 3.48Å; W110-H117 AromaticContact CE2-CG 3.56Å; W110-H117 HydrophobicContact CE3-CB 3.82Å; W110-H117 HydrophobicContact CG-CB 4.12Å; W110-H117 HydrophobicContact CH2-CB 3.66Å; W110-H117 HydrophobicContact CZ2-CB 3.29Å; W110-H117 AromaticContact CZ2-CG 3.67Å; W110-H117 AromaticContact CZ2-ND1 3.96Å; W110-H117 HydrophobicContact CZ3-CB 3.9Å; W110-H117 PolarHBondContact N-O 3.13Å; W110-H117 VanDerWaalsContact N-O 3.14Å; W110-H117 AromaticContact NE1-CD2 3.55Å; W110-H117 AromaticContact NE1-CG 3.53Å; W110-H117 PolarHBondContact O-N 2.92Å; E115-H117 IonicContact OE2-CE1 3.55Å; E115-H117 IonicContact OE2-NE2 3.5Å; H117-Q129 WeakPolarHBondContact CA-O 3.48Å
118L98.7Very high97.7Very high2 Ų247 Ų471%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-139.5124.7175.6166.859000109.9W107 T108 H109 L120 Q129 F131W107-L118 HydrophobicContact CB-CD1 3.82Å; W107-L118 HydrophobicContact CG-CD1 4.44Å; T108-L118 WeakPolarHBondContact O-CA 3.12Å; H109-L118 VanDerWaalsContact CE1-CD1 3.47Å; H109-L118 WeakPolarHBondContact CE1-CD1 3.27Å; L118-L120 HydrophobicContact CD1-CD2 3.95Å; L118-L120 HydrophobicContact CD1-CG 4.18Å; L118-L120 HydrophobicContact CD2-CD1 4.39Å; L118-L120 HydrophobicContact CD2-CD2 4.04Å; L118-L120 HydrophobicContact CD2-CG 4.1Å; L118-L120 HydrophobicContact CG-CD2 4.19Å; L118-L120 HydrophobicContact CG-CG 4.01Å; L118-Q129 HydrophobicContact CB-CB 4.19Å; L118-Q129 PolarHBondContact N-O 3.32Å; L118-Q129 PolarHBondContact O-N 3.29Å; L118-F131 HydrophobicContact CB-CE2 4.21Å; L118-F131 HydrophobicContact CD2-CE2 4.38Å
119E98.8Very high97.7Very high58 Ų5846.3 Ų46.327%0.27126%0.264SS..EExtended strand (participates in β ladder)trans-105.4122164.9-84178.3179.900110W107 T108 W110 V126 C127 K128W107-E119 CarbonylContact C-O 3.46Å; W107-E119 WeakPolarHBondContact CA-O 3.45Å; W107-E119 WeakPolarHBondContact CB-O 3.43Å; T108-E119 PolarHBondContact N-O 2.96Å; T108-E119 PolarHBondContact O-N 2.72Å; W110-E119 HydrophobicContact CH2-CB 4.48Å; W110-E119 HydrophobicContact CH2-CG 3.72Å; W110-E119 HydrophobicContact CZ3-CB 4.08Å; W110-E119 HydrophobicContact CZ3-CG 3.83Å; E119-V126 HydrophobicContact CB-CG1 4.46Å; E119-V126 HydrophobicContact CG-CG1 4.26Å; E119-C127 CarbonylContact C-O 3.54Å; E119-C127 WeakPolarHBondContact CA-O 3.27Å; E119-K128 HydrophobicContact CG-CD 4.45Å; E119-K128 HydrophobicContact CG-CG 4.07Å; E119-K128 WeakPolarHBondContact OE1-CE 3.24Å; E119-K128 IonicContact OE1-NZ 3.52Å; E119-K128 PolarHBondContact OE1-NZ 3.04Å
120L98.6Very high97.7Very high18 Ų1847.1 Ų47.19%0.09427%0.269CS..EExtended strand (participates in β ladder)trans-103.4126.9173.6-63165.5000108.4Y20 W107 L118 V126 C127Y20-L120 HydrophobicContact CD1-CD1 4.46Å; Y20-L120 HydrophobicContact CD2-CB 4.06Å; Y20-L120 HydrophobicContact CE1-CB 4.26Å; Y20-L120 HydrophobicContact CE1-CD1 4.21Å; Y20-L120 HydrophobicContact CE2-CB 3.79Å; Y20-L120 HydrophobicContact CG-CB 4.41Å; W107-L120 HydrophobicContact CB-CD2 3.85Å; L118-L120 HydrophobicContact CD1-CD2 3.95Å; L118-L120 HydrophobicContact CD1-CG 4.18Å; L118-L120 HydrophobicContact CD2-CD1 4.39Å; L118-L120 HydrophobicContact CD2-CD2 4.04Å; L118-L120 HydrophobicContact CD2-CG 4.1Å; L118-L120 HydrophobicContact CG-CD2 4.19Å; L118-L120 HydrophobicContact CG-CG 4.01Å; L120-V126 CarbonylContact O-C 3.58Å; L120-V126 VanDerWaalsContact O-CA 3.31Å; L120-V126 WeakPolarHBondContact O-CA 3.06Å; L120-C127 HydrophobicContact CB-CB 4.17Å; L120-C127 HydrophobicContact CD1-CB 4.48Å; L120-C127 PolarHBondContact N-O 3.03Å; L120-C127 PolarHBondContact O-N 3.36Å
121A98.6Very high97.7Very high33 Ų3345.1 Ų45.127%0.27326%0.262SS..EExtended strand (participates in β ladder)trans-121.8141.4-178.800000111.6D104 R105 G106 Q125D104-A121 CarbonylContact O-C 3.43Å; R105-A121 VanDerWaalsContact CA-O 3.31Å; R105-A121 WeakPolarHBondContact CA-O 3.49Å; G106-A121 PolarHBondContact N-O 3.23Å; G106-A121 PolarHBondContact O-N 3.24Å; A121-Q125 WeakPolarHBondContact CA-O 2.92Å
122C98.6Very high97.7Very high0 Ų048.4 Ų48.40%028%0.275CS..EExtended strand (participates in β ladder)trans-161.9126.6171.4-174.90000109.9Y20 A23 L24 R105 G124 Q125Y20-C122 HydrophobicContact CD2-CB 3.92Å; Y20-C122 HydrophobicContact CE2-CB 3.61Å; A23-C122 HydrophobicContact CB-CB 4.28Å; L24-C122 HydrophobicContact CD2-CB 4.31Å; R105-C122 HydrophobicContact CG-CB 4.48Å; C122-G124 VanDerWaalsContact C-N 3.25Å; C122-G124 PolarHBondContact O-N 3.06Å; C122-G124 VanDerWaalsContact O-N 3.13Å; C122-Q125 PolarHBondContact N-O 3.45Å; C122-Q125 WeakPolarHBondContact O-CB 3.43Å; C122-Q125 PolarHBondContact O-N 3.41Å
123E97.8Very high97.7Very high84 Ų8447.1 Ų47.139%0.39326%0.264SS..THydrogen-bonded Turntrans47.543.3173.7-58.7-174.4163.600114.2A23 K102 K103 Q125A23-E123 HydrophobicContact CB-CB 4.38Å; K102-E123 HydrophobicContact CD-CG 4.4Å; K102-E123 WeakPolarHBondContact CD-OE1 3.37Å; K102-E123 IonicContact NZ-OE1 2.74Å; K102-E123 IonicContact NZ-OE2 2.82Å; K102-E123 PolarHBondContact NZ-OE2 2.9Å; K103-E123 HydrophobicContact CB-CG 4.32Å; K103-E123 WeakPolarHBondContact O-CG 3.5Å; K103-E123 PolarHBondContact O-N 3.2Å; E123-Q125 VanDerWaalsContact C-N 3.26Å; E123-Q125 PolarHBondContact O-N 3.18Å
124G96.4Very high97.5Very high66 Ų6651.3 Ų51.368%0.6827%0.266SS*.THydrogen-bonded Turntrans80.2-5-179.900000115.4C122C122-G124 VanDerWaalsContact C-N 3.25Å; C122-G124 PolarHBondContact O-N 3.06Å; C122-G124 VanDerWaalsContact O-N 3.13Å
125Q98.6Very high97.7Very high75 Ų7549.9 Ų49.935%0.3526%0.258SS..EExtended strand (participates in β ladder)trans-86.8135.9169.9-63.8-59.6-53.300110.6N16 A23 A121 C122 E123N16-Q125 PolarHBondContact ND2-OE1 2.82Å; A23-Q125 HydrophobicContact CB-CB 4.13Å; A23-Q125 HydrophobicContact CB-CG 3.87Å; A121-Q125 WeakPolarHBondContact CA-O 2.92Å; C122-Q125 PolarHBondContact N-O 3.45Å; C122-Q125 WeakPolarHBondContact O-CB 3.43Å; C122-Q125 PolarHBondContact O-N 3.41Å; E123-Q125 VanDerWaalsContact C-N 3.26Å; E123-Q125 PolarHBondContact O-N 3.18Å
126V98.7Very high97.7Very high58 Ų5848.8 Ų48.835%0.35225%0.254SS..EExtended strand (participates in β ladder)trans-124125.1175.1-179.10000109.2N16 E119 L120 K128N16-V126 WeakPolarHBondContact CB-O 3.39Å; N16-V126 PolarHBondContact ND2-O 3.33Å; E119-V126 HydrophobicContact CB-CG1 4.46Å; E119-V126 HydrophobicContact CG-CG1 4.26Å; L120-V126 CarbonylContact O-C 3.58Å; L120-V126 VanDerWaalsContact O-CA 3.31Å; L120-V126 WeakPolarHBondContact O-CA 3.06Å; V126-K128 HydrophobicContact CG1-CG 4.24Å
127C98.7Very high97.7Very high0 Ų051.6 Ų51.60%027%0.268CS..EExtended strand (participates in β ladder)trans-106134170.4164.10000109N14 D15 Y20 E119 L120N14-C127 PolarHBondContact OD1-SG 2.84Å; D15-C127 CarbonylContact O-C 3.59Å; D15-C127 VanDerWaalsContact O-CA 3.22Å; D15-C127 WeakPolarHBondContact O-CA 3.32Å; D15-C127 PolarHBondContact O-SG 2.82Å; D15-C127 VanDerWaalsContact O-SG 3.36Å; Y20-C127 HydrophobicContact CG-CB 4.06Å; E119-C127 CarbonylContact C-O 3.54Å; E119-C127 WeakPolarHBondContact CA-O 3.27Å; L120-C127 HydrophobicContact CB-CB 4.17Å; L120-C127 HydrophobicContact CD1-CB 4.48Å; L120-C127 PolarHBondContact N-O 3.03Å; L120-C127 PolarHBondContact O-N 3.36Å
128K98.7Very high97.6Very high102 Ų10253.3 Ų53.344%0.44328%0.278SS..EExtended strand (participates in β ladder)trans-115.7125.2-177.3-54.8-163.5178.2-139.70110.2N14 D15 E119 V126N14-K128 CarbonylContact C-O 3.59Å; N14-K128 WeakPolarHBondContact CA-O 3.35Å; D15-K128 HydrophobicContact CB-CB 4.39Å; D15-K128 PolarHBondContact N-O 2.96Å; D15-K128 PolarHBondContact O-N 3.45Å; E119-K128 HydrophobicContact CG-CD 4.45Å; E119-K128 HydrophobicContact CG-CG 4.07Å; E119-K128 WeakPolarHBondContact OE1-CE 3.24Å; E119-K128 IonicContact OE1-NZ 3.52Å; E119-K128 PolarHBondContact OE1-NZ 3.04Å; V126-K128 HydrophobicContact CG1-CG 4.24Å
129Q98.6Very high97.6Very high16 Ų1656.5 Ų56.58%0.07530%0.295CS..EExtended strand (participates in β ladder)trans-123141.6-179.9-60.9-177.3-1800110M11 S13 N14 H117 L118 F131M11-Q129 HydrophobicContact CE-CB 4.35Å; M11-Q129 HydrophobicContact CE-CG 4.07Å; S13-Q129 WeakPolarHBondContact O-CA 3.48Å; N14-Q129 HydrophobicContact CB-CG 4.38Å; N14-Q129 WeakPolarHBondContact OD1-CG 3.31Å; N14-Q129 PolarHBondContact OD1-NE2 2.84Å; H117-Q129 WeakPolarHBondContact CA-O 3.48Å; L118-Q129 HydrophobicContact CB-CB 4.19Å; L118-Q129 PolarHBondContact N-O 3.32Å; L118-Q129 PolarHBondContact O-N 3.29Å; Q129-F131 HydrophobicContact CB-CD2 4.38Å; Q129-F131 HydrophobicContact CB-CE2 3.51Å; Q129-F131 HydrophobicContact CB-CZ 4.01Å
130V98.5Very high97.5Very high21 Ų2156.4 Ų56.413%0.12730%0.296CS..EExtended strand (participates in β ladder)trans-124.7135.1172.7-174.10000108V12 S13 E115V12-V130 PolarHBondContact N-O 2.73Å; S13-V130 PolarHBondContact N-O 2.9Å; S13-V130 PolarHBondContact O-N 3.02Å; S13-V130 VanDerWaalsContact O-N 3.1Å; S13-V130 WeakPolarHBondContact OG-CB 3.35Å; S13-V130 WeakPolarHBondContact OG-CG2 3.49Å; E115-V130 HydrophobicContact CB-CG1 3.96Å; E115-V130 HydrophobicContact CG-CG1 4.11Å; E115-V130 WeakPolarHBondContact OE2-CG1 3.44Å
131F98.6Very high97.4Very high0 Ų059.1 Ų59.10%031%0.311CS..EExtended strand (participates in β ladder)trans-125.8147.5177.4-54.3-106.1000109.4W9 D10 M11 K41 E115 L116 L118 Q129W9-F131 HydrophobicContact CB-CB 3.7Å; W9-F131 HydrophobicContact CB-CG 4.37Å; D10-F131 CarbonylContact O-C 3.56Å; D10-F131 WeakPolarHBondContact O-CA 3.46Å; D10-F131 WeakPolarHBondContact O-CB 3.43Å; M11-F131 VanDerWaalsContact CA-CD1 3.46Å; M11-F131 HydrophobicContact CB-CD1 3.8Å; M11-F131 HydrophobicContact CB-CE1 3.69Å; M11-F131 HydrophobicContact CE-CE1 3.76Å; M11-F131 HydrophobicContact CE-CE2 4.49Å; M11-F131 HydrophobicContact CE-CZ 3.53Å; M11-F131 HydrophobicContact CG-CE1 4.26Å; K41-F131 HydrophobicContact CD-CD1 4.24Å; K41-F131 HydrophobicContact CD-CD2 4.19Å; K41-F131 HydrophobicContact CD-CE1 3.84Å; K41-F131 HydrophobicContact CD-CE2 3.78Å; K41-F131 HydrophobicContact CD-CG 4.43Å; K41-F131 HydrophobicContact CD-CZ 3.63Å; K41-F131 VanDerWaalsContact CE-CE2 3.47Å; K41-F131 HydrophobicContact CG-CD1 4.27Å; K41-F131 HydrophobicContact CG-CE1 3.84Å; K41-F131 HydrophobicContact CG-CZ 4.09Å; E115-F131 CarbonylContact C-O 3.57Å; E115-F131 VanDerWaalsContact CA-O 3.31Å; E115-F131 WeakPolarHBondContact CA-O 3.36Å; L116-F131 HydrophobicContact CB-CB 4.22Å; L116-F131 HydrophobicContact CD2-CD2 4.39Å; L116-F131 PolarHBondContact N-O 2.84Å; L116-F131 PolarHBondContact O-N 3.46Å; L118-F131 HydrophobicContact CB-CE2 4.21Å; L118-F131 HydrophobicContact CD2-CE2 4.38Å; Q129-F131 HydrophobicContact CB-CD2 4.38Å; Q129-F131 HydrophobicContact CB-CE2 3.51Å; Q129-F131 HydrophobicContact CB-CZ 4.01Å
132K97.6Very high97.3Very high107 Ų10761.2 Ų61.247%0.46531%0.314SS..EExtended strand (participates in β ladder)trans-106.5138.8175.2-169.4168.4-173.6161.10110.1W9 D10 V12 D114 M134W9-K132 CarbonylContact C-O 3.6Å; W9-K132 WeakPolarHBondContact CA-O 3.45Å; D10-K132 PolarHBondContact N-O 3.12Å; D10-K132 PolarHBondContact O-N 3.44Å; V12-K132 HydrophobicContact CG2-CB 3.65Å; D114-K132 WeakPolarHBondContact OD2-CE 3.34Å; D114-K132 IonicContact OD2-NZ 3.03Å; D114-K132 PolarHBondContact OD2-NZ 3.31Å; K132-M134 PolarHBondContact O-N 3.3Å
133R95.3Very high97.2Very high102 Ų10266.3 Ų66.339%0.38534%0.34SS..EExtended strand (participates in β ladder)trans-61.8133.6174.6-167.3177.7-75.6-104.83.3110.2N6 W9 D114N6-R133 PolarHBondContact O-NH1 2.96Å; W9-R133 HydrophobicContact CE3-CB 3.78Å; W9-R133 HydrophobicContact CE3-CG 4.42Å; W9-R133 HydrophobicContact CH2-CB 4.3Å; W9-R133 HydrophobicContact CZ3-CB 3.65Å; W9-R133 HydrophobicContact CZ3-CG 4.3Å; D114-R133 PolarHBondContact O-N 2.96Å
134M89Confident97.1Very high164 Ų16464.6 Ų64.681%0.80834%0.335SS*.  trans-71.70169.9-71.9-16775.300112.5T8 D10 Q40 K132T8-M134 HydrophobicContact CG2-CG 4.06Å; T8-M134 HydrophobicContact CG2-SD 3.4Å; T8-M134 WeakPolarHBondContact CG2-SD 3.4Å; T8-M134 PolarHBondContact O-N 3.27Å; D10-M134 WeakPolarHBondContact OD2-CG 3.37Å; Q40-M134 PolarHBondContact NE2-SD 2.99Å; K132-M134 PolarHBondContact O-N 3.3Å

Retrieved 134 of 134 residues in 153.4 ms (Link to these results)

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