A0A096LVS1_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 , UniProt , Accession A0A096LVS1, 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
1M56.2Low91.1Very high225 Ų22563.9 Ų63.9100%1.10833%0.332SS*.  0137.80-71.4-177.2-7700106.2
2P76.4Confident91.7Very high64 Ų6466.1 Ų66.142%0.41635%0.35SS..  trans-55.2152175.7-19.230.4000110.6D4 W89P2-D4 PolarHBondContact O-N 3.09Å; P2-W89 HydrophobicContact CB-CD2 4.1Å; P2-W89 HydrophobicContact CB-CH2 4.24Å; P2-W89 HydrophobicContact CB-CZ2 3.78Å
3V90.5Very high92.2Very high37 Ų3763.7 Ų63.722%0.22434%0.342CS..  trans-56.8138.6172.5123.80000109.5M5 Q45 D92 V111V3-M5 HydrophobicContact CG1-CE 3.79Å; V3-M5 HydrophobicContact CG1-CG 3.78Å; V3-Q45 PolarHBondContact O-NE2 2.86Å; V3-Q45 VanDerWaalsContact O-NE2 3.16Å; V3-Q45 PolarHBondContact O-OE1 3.3Å; V3-D92 HydrophobicContact CB-CB 4.38Å; V3-D92 HydrophobicContact CG2-CB 4.14Å; V3-V111 HydrophobicContact CG1-CB 4.19Å; V3-V111 HydrophobicContact CG1-CG2 4.08Å
4D92.8Very high92.6Very high96 Ų9662.1 Ų62.151%0.51333%0.333SS..  trans-85.5113.1176.3-179.210.7000110.1P2 N6P2-D4 PolarHBondContact O-N 3.09Å; D4-N6 WeakPolarHBondContact OD1-CB 3.35Å; D4-N6 PolarHBondContact OD1-N 2.87Å; D4-N6 PolarHBondContact OD1-ND2 3.17Å
5M96.5Very high93Very high0 Ų064.4 Ų64.40%035%0.345CS..  trans-98.34178.6-59.8-171.4174.100113.3V3 G7 W9 I43 W89 L94 Q109 V111 L116V3-M5 HydrophobicContact CG1-CE 3.79Å; V3-M5 HydrophobicContact CG1-CG 3.78Å; M5-G7 PolarHBondContact O-N 2.84Å; M5-W9 PolarHBondContact O-NE1 3.01Å; M5-I43 HydrophobicContact CB-CG2 4.18Å; M5-I43 WeakPolarHBondContact O-CB 3.22Å; M5-W89 HydrophobicContact CE-CH2 3.77Å; M5-W89 HydrophobicContact CE-CZ3 3.71Å; M5-W89 HydrophobicContact CG-CH2 4.45Å; M5-W89 HydrophobicContact SD-CH2 4.16Å; M5-L94 HydrophobicContact CE-CB 4Å; M5-L94 HydrophobicContact SD-CB 4.38Å; M5-L94 HydrophobicContact SD-CD2 4.39Å; M5-Q109 HydrophobicContact SD-CG 4.22Å; M5-Q109 PolarHBondContact SD-NE2 2.85Å; M5-V111 HydrophobicContact CG-CG2 4.02Å; M5-L116 HydrophobicContact SD-CD1 4.49Å
6N97.9Very high93.3Very high49 Ų4965.8 Ų65.826%0.26235%0.353SS..  trans-56.7137-178.6-80.9-73.5000112.2D4 I43 V44 Q45 K133D4-N6 WeakPolarHBondContact OD1-CB 3.35Å; D4-N6 PolarHBondContact OD1-N 2.87Å; D4-N6 PolarHBondContact OD1-ND2 3.17Å; N6-I43 WeakPolarHBondContact CA-O 3.44Å; N6-V44 WeakPolarHBondContact OD1-CA 3.27Å; N6-Q45 PolarHBondContact ND2-O 2.93Å; N6-Q45 PolarHBondContact OD1-N 3.31Å; N6-K133 WeakPolarHBondContact O-CE 3.31Å; N6-K133 PolarHBondContact O-NZ 2.64Å
7G97.9Very high93.6Very high24 Ų2463.8 Ų63.825%0.24734%0.34CS..EExtended strand (participates in β ladder)trans136.6-177168.900000114.2M5 W9 I43M5-G7 PolarHBondContact O-N 2.84Å; G7-W9 PolarHBondContact O-NE1 2.86Å; G7-I43 PolarHBondContact N-O 3.1Å; G7-I43 PolarHBondContact O-N 3.02Å
8Y98.6Very high93.8Very high80 Ų8064.4 Ų64.431%0.31434%0.341SS..EExtended strand (participates in β ladder)trans-99132.1174.2-164.8-87.7000109.8K10 D40 K41 D42 L55 T134Y8-K10 HydrophobicContact CD1-CG 4.15Å; Y8-K10 HydrophobicContact CE1-CG 3.82Å; Y8-D40 HydrophobicContact CE1-CB 3.88Å; Y8-D40 WeakPolarHBondContact OH-CB 3.48Å; Y8-D40 PolarHBondContact OH-OD2 3.22Å; Y8-D40 VanDerWaalsContact OH-OD2 3.12Å; Y8-K41 CarbonylContact C-O 3.55Å; Y8-K41 WeakPolarHBondContact CA-O 3.34Å; Y8-D42 HydrophobicContact CD2-CB 4Å; Y8-D42 HydrophobicContact CE2-CB 4.34Å; Y8-L55 HydrophobicContact CE2-CD1 3.91Å; Y8-T134 WeakPolarHBondContact CD1-OG1 3.45Å; Y8-T134 PolarHBondContact O-N 3.11Å; Y8-T134 PolarHBondContact O-OG1 2.92Å
9W98.8Very high94.1Very high1 Ų165.4 Ų65.40%0.00434%0.343CS..EExtended strand (participates in β ladder)trans-128.8117-171.5-54.689.7000109.9M5 G7 D40 K41 V111 L116 F131 K132 K133M5-W9 PolarHBondContact O-NE1 3.01Å; G7-W9 PolarHBondContact O-NE1 2.86Å; W9-D40 CarbonylContact O-C 3.59Å; W9-D40 WeakPolarHBondContact O-CA 3.3Å; W9-D40 WeakPolarHBondContact O-CB 3.35Å; W9-K41 HydrophobicContact CB-CB 4.21Å; W9-K41 PolarHBondContact N-O 2.87Å; W9-K41 PolarHBondContact O-N 2.81Å; W9-V111 HydrophobicContact CH2-CG1 4.29Å; W9-V111 HydrophobicContact CH2-CG2 4.23Å; W9-L116 HydrophobicContact CB-CD2 4.15Å; W9-L116 HydrophobicContact CD2-CB 3.67Å; W9-L116 HydrophobicContact CD2-CD2 4.03Å; W9-L116 HydrophobicContact CD2-CG 4.38Å; W9-L116 HydrophobicContact CE3-CB 3.4Å; W9-L116 HydrophobicContact CG-CB 4.22Å; W9-L116 HydrophobicContact CG-CD2 3.8Å; W9-L116 HydrophobicContact CH2-CB 4.23Å; W9-L116 HydrophobicContact CZ2-CB 4.48Å; W9-L116 HydrophobicContact CZ3-CB 3.7Å; W9-F131 HydrophobicContact CB-CB 3.71Å; W9-F131 HydrophobicContact CB-CG 4.38Å; W9-K132 CarbonylContact C-O 3.57Å; W9-K132 WeakPolarHBondContact CA-O 3.35Å; W9-K133 HydrophobicContact CD2-CB 4.41Å; W9-K133 HydrophobicContact CD2-CG 4.33Å; W9-K133 HydrophobicContact CE3-CB 3.7Å; W9-K133 HydrophobicContact CE3-CG 4.08Å; W9-K133 HydrophobicContact CH2-CB 4.07Å; W9-K133 HydrophobicContact CH2-CD 3.73Å; W9-K133 HydrophobicContact CH2-CG 4.01Å; W9-K133 HydrophobicContact CZ2-CD 3.99Å; W9-K133 HydrophobicContact CZ2-CG 4.23Å; W9-K133 HydrophobicContact CZ3-CB 3.52Å; W9-K133 HydrophobicContact CZ3-CD 4.11Å; W9-K133 HydrophobicContact CZ3-CG 3.93Å
10K98.4Very high94.3Very high105 Ų10562.9 Ų62.946%0.45733%0.329SS..EExtended strand (participates in β ladder)trans-91132.5180-73.4-171.1176.3175.90112.2Y8 V12 D40 F131 K132 T134Y8-K10 HydrophobicContact CD1-CG 4.15Å; Y8-K10 HydrophobicContact CE1-CG 3.82Å; K10-V12 PolarHBondContact O-N 3.01Å; K10-D40 VanDerWaalsContact CA-OD1 3.24Å; K10-D40 WeakPolarHBondContact CA-OD1 3.3Å; K10-F131 CarbonylContact O-C 3.53Å; K10-F131 WeakPolarHBondContact O-CA 3.4Å; K10-F131 WeakPolarHBondContact O-CB 3.39Å; K10-K132 PolarHBondContact N-O 3.27Å; K10-K132 PolarHBondContact O-N 3.01Å; K10-T134 HydrophobicContact CB-CG2 4.41Å; K10-T134 HydrophobicContact CD-CG2 3.7Å; K10-T134 HydrophobicContact CG-CG2 3.79Å
11M98.4Very high94.5Very high22 Ų2260.3 Ų60.311%0.10832%0.315CS..EExtended strand (participates in β ladder)trans-65.2133.6-179.3178.3174.1-76.400112.4N14 K38 P39 D40 Q129 F131M11-N14 HydrophobicContact CE-CB 4.3Å; M11-N14 HydrophobicContact SD-CB 3.78Å; M11-K38 HydrophobicContact CB-CB 4.49Å; M11-K38 HydrophobicContact SD-CB 4.48Å; M11-P39 VanDerWaalsContact CB-O 3.25Å; M11-P39 WeakPolarHBondContact CB-O 3.24Å; M11-P39 HydrophobicContact CE-CG 3.54Å; M11-P39 HydrophobicContact SD-CG 4.23Å; M11-D40 PolarHBondContact N-OD1 3.09Å; M11-Q129 HydrophobicContact CE-CB 4.4Å; M11-Q129 HydrophobicContact CE-CG 4.07Å; M11-F131 HydrophobicContact CB-CD1 3.79Å; M11-F131 HydrophobicContact CB-CE1 3.86Å; M11-F131 HydrophobicContact CE-CE1 3.6Å; M11-F131 HydrophobicContact CE-CZ 3.63Å; M11-F131 HydrophobicContact CG-CE1 4.36Å
12V97.9Very high96.5Very high90 Ų9053.2 Ų53.255%0.54528%0.279SS..EExtended strand (participates in β ladder)trans-107.7-48.5177.6179.70000110.5K10 V130 K132K10-V12 PolarHBondContact O-N 3.01Å; V12-V130 WeakPolarHBondContact CB-O 3.4Å; V12-V130 PolarHBondContact N-O 2.89Å; V12-K132 HydrophobicContact CG2-CB 3.89Å; V12-K132 HydrophobicContact CG2-CG 3.68Å
13S98.2Very high97.5Very high35 Ų3551.5 Ų51.525%0.24527%0.27CS..EExtended strand (participates in β ladder)trans-139.5157.4179.468.80000112.4Q129 V130S13-Q129 WeakPolarHBondContact O-CA 3.44Å; S13-V130 PolarHBondContact N-O 2.85Å; S13-V130 PolarHBondContact O-N 2.94Å; S13-V130 WeakPolarHBondContact OG-CB 3.45Å; S13-V130 WeakPolarHBondContact OG-CG2 3.36Å
14N98.3Very high97.8Very high42 Ų4249.8 Ų49.823%0.22526%0.259CS..EExtended strand (participates in β ladder)trans-151.787.8-179.3-171.215.1000109.6M11 F17 C127 Q129M11-N14 HydrophobicContact CE-CB 4.3Å; M11-N14 HydrophobicContact SD-CB 3.78Å; N14-F17 VanDerWaalsContact ND2-CD1 3.28Å; N14-F17 WeakPolarHBondContact ND2-CD1 3.46Å; N14-F17 WeakPolarHBondContact ND2-CG 3.16Å; N14-F17 WeakPolarHBondContact OD1-CB 3.35Å; N14-C127 PolarHBondContact OD1-SG 2.99Å; N14-C127 VanDerWaalsContact OD1-SG 3.37Å; N14-Q129 HydrophobicContact CB-CG 4.29Å; N14-Q129 WeakPolarHBondContact OD1-CG 3.44Å; N14-Q129 PolarHBondContact OD1-NE2 2.97Å
15D98.4Very high98Very high96 Ų9651.9 Ų51.951%0.51327%0.266SS..EExtended strand (participates in β ladder)trans-95.7132.4-170.8-60-40.9000110.9F17 C127 K128D15-F17 VanDerWaalsContact C-N 3.27Å; D15-F17 PolarHBondContact O-N 3.12Å; D15-C127 VanDerWaalsContact O-CA 3.27Å; D15-C127 WeakPolarHBondContact O-CA 3.5Å; D15-C127 PolarHBondContact O-SG 2.9Å; D15-C127 VanDerWaalsContact O-SG 3.33Å; D15-K128 PolarHBondContact N-O 2.96Å; D15-K128 PolarHBondContact O-N 2.78Å
16N98.3Very high97.9Very high86 Ų8652.4 Ų52.446%0.4627%0.269SS..SBendtrans63.723.9176.9-157.641.6000115.6E18 E19 Y20 V126N16-E18 VanDerWaalsContact C-N 3.3Å; N16-E18 PolarHBondContact O-N 3.35Å; N16-E19 PolarHBondContact O-N 3.37Å; N16-E19 WeakPolarHBondContact OD1-CB 3.38Å; N16-E19 WeakPolarHBondContact OD1-CG 3.27Å; N16-Y20 PolarHBondContact O-N 3.24Å; N16-V126 WeakPolarHBondContact CB-O 3.49Å; N16-V126 PolarHBondContact ND2-O 2.83Å
17F98.1Very high97.8Very high33 Ų3354.4 Ų54.415%0.14528%0.28CS..Hα-helixtrans-64.2-31.9-179.6-168.6-138.2000113.9N14 D15 Y20 M21 A34 L35N14-F17 VanDerWaalsContact ND2-CD1 3.28Å; N14-F17 WeakPolarHBondContact ND2-CD1 3.46Å; N14-F17 WeakPolarHBondContact ND2-CG 3.16Å; N14-F17 WeakPolarHBondContact OD1-CB 3.35Å; D15-F17 VanDerWaalsContact C-N 3.27Å; D15-F17 PolarHBondContact O-N 3.12Å; F17-Y20 AromaticContact CD2-CD1 3.99Å; F17-Y20 HydrophobicContact CD2-CD1 3.99Å; F17-Y20 AromaticContact CE2-CD1 3.96Å; F17-Y20 HydrophobicContact CE2-CD1 3.96Å; F17-Y20 HydrophobicContact CE2-CE1 4.36Å; F17-Y20 PolarHBondContact O-N 2.95Å; F17-M21 HydrophobicContact CD1-CE 3.61Å; F17-M21 HydrophobicContact CD1-SD 4.19Å; F17-M21 HydrophobicContact CD2-CG 4.29Å; F17-M21 HydrophobicContact CE1-CE 3.76Å; F17-M21 HydrophobicContact CE1-CG 4.43Å; F17-M21 HydrophobicContact CE1-SD 3.74Å; F17-M21 HydrophobicContact CE2-CG 3.99Å; F17-M21 HydrophobicContact CE2-SD 4.33Å; F17-M21 HydrophobicContact CG-CE 4.09Å; F17-M21 HydrophobicContact CZ-CE 4.33Å; F17-M21 HydrophobicContact CZ-CG 4.07Å; F17-M21 HydrophobicContact CZ-SD 3.81Å; F17-M21 WeakPolarHBondContact O-CG 3.49Å; F17-M21 PolarHBondContact O-N 3.48Å; F17-A34 HydrophobicContact CE1-CB 3.96Å; F17-L35 HydrophobicContact CB-CD2 4.28Å; F17-L35 HydrophobicContact CD1-CD2 4.27Å
18E97.8Very high97.6Very high75 Ų7557.1 Ų57.135%0.3529%0.291SS..Hα-helixtrans-62.3-46.9177.6-169.3179.9159.900111.7N16 M21 K22 L35N16-E18 VanDerWaalsContact C-N 3.3Å; N16-E18 PolarHBondContact O-N 3.35Å; E18-M21 PolarHBondContact O-N 2.96Å; E18-K22 WeakPolarHBondContact O-CG 3.13Å; E18-K22 PolarHBondContact O-N 3.32Å; E18-K22 WeakPolarHBondContact OE1-CE 3.47Å; E18-K22 IonicContact OE1-NZ 2.93Å; E18-K22 PolarHBondContact OE1-NZ 2.82Å; E18-L35 HydrophobicContact CB-CD1 4.07Å; E18-L35 HydrophobicContact CB-CD2 3.99Å; E18-L35 HydrophobicContact CG-CD1 4.08Å
19E98.4Very high97.4Very high82 Ų8256 Ų5638%0.38330%0.299SS..Hα-helixtrans-68.6-37.5-179-61.4-52.8127.400111.6N16 M21 K22 A23N16-E19 PolarHBondContact O-N 3.37Å; N16-E19 WeakPolarHBondContact OD1-CB 3.38Å; N16-E19 WeakPolarHBondContact OD1-CG 3.27Å; E19-M21 PolarHBondContact O-N 3.47Å; E19-K22 WeakPolarHBondContact O-CB 3.47Å; E19-K22 PolarHBondContact O-N 2.69Å; E19-K22 IonicContact OE1-NZ 2.72Å; E19-K22 PolarHBondContact OE1-NZ 3.49Å; E19-K22 IonicContact OE2-NZ 2.68Å; E19-A23 PolarHBondContact O-N 3.24Å
20Y98.6Very high97.1Very high15 Ų1558.7 Ų58.76%0.05931%0.313CS..Hα-helixtrans-58.3-47170.5172.1-100.1000111.9N16 F17 K22 A23 L24 L120 A122 C127N16-Y20 PolarHBondContact O-N 3.24Å; F17-Y20 AromaticContact CD2-CD1 3.99Å; F17-Y20 HydrophobicContact CD2-CD1 3.99Å; F17-Y20 AromaticContact CE2-CD1 3.96Å; F17-Y20 HydrophobicContact CE2-CD1 3.96Å; F17-Y20 HydrophobicContact CE2-CE1 4.36Å; F17-Y20 PolarHBondContact O-N 2.95Å; Y20-K22 VanDerWaalsContact C-N 3.32Å; Y20-K22 PolarHBondContact O-N 3.33Å; Y20-A23 PolarHBondContact O-N 3.37Å; Y20-L24 HydrophobicContact CD1-CD1 4.16Å; Y20-L24 HydrophobicContact CE1-CD1 3.46Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.46Å; Y20-L24 HydrophobicContact CE1-CG 4.36Å; Y20-L24 HydrophobicContact CE2-CD1 4.34Å; Y20-L24 PolarHBondContact O-N 2.92Å; Y20-L24 VanDerWaalsContact O-N 3.15Å; Y20-L120 HydrophobicContact CD1-CD1 4.34Å; Y20-L120 HydrophobicContact CD2-CB 3.99Å; Y20-L120 HydrophobicContact CE1-CB 4.3Å; Y20-L120 HydrophobicContact CE1-CD1 4.04Å; Y20-L120 HydrophobicContact CE2-CB 3.71Å; Y20-L120 HydrophobicContact CG-CB 4.4Å; Y20-A122 HydrophobicContact CD2-CB 3.89Å; Y20-A122 HydrophobicContact CE2-CB 3.57Å; Y20-C127 HydrophobicContact CG-CB 4Å
21M97.7Very high97Very high9 Ų955.6 Ų55.64%0.04430%0.298CS..Hα-helixtrans-67.1-30.9177.1-72.4-172.5-70.200113.1F17 E18 E19 L24 E25 V26 R31 A34 L35F17-M21 HydrophobicContact CD1-CE 3.61Å; F17-M21 HydrophobicContact CD1-SD 4.19Å; F17-M21 HydrophobicContact CD2-CG 4.29Å; F17-M21 HydrophobicContact CE1-CE 3.76Å; F17-M21 HydrophobicContact CE1-CG 4.43Å; F17-M21 HydrophobicContact CE1-SD 3.74Å; F17-M21 HydrophobicContact CE2-CG 3.99Å; F17-M21 HydrophobicContact CE2-SD 4.33Å; F17-M21 HydrophobicContact CG-CE 4.09Å; F17-M21 HydrophobicContact CZ-CE 4.33Å; F17-M21 HydrophobicContact CZ-CG 4.07Å; F17-M21 HydrophobicContact CZ-SD 3.81Å; F17-M21 WeakPolarHBondContact O-CG 3.49Å; F17-M21 PolarHBondContact O-N 3.48Å; E18-M21 PolarHBondContact O-N 2.96Å; E19-M21 PolarHBondContact O-N 3.47Å; M21-L24 PolarHBondContact O-N 2.81Å; M21-E25 PolarHBondContact O-N 2.78Å; M21-V26 HydrophobicContact CB-CB 4.18Å; M21-V26 HydrophobicContact CB-CG2 4.36Å; M21-V26 WeakPolarHBondContact O-CB 3.4Å; M21-V26 PolarHBondContact O-N 2.82Å; M21-R31 HydrophobicContact CB-CG 3.77Å; M21-R31 HydrophobicContact CE-CB 3.93Å; M21-R31 HydrophobicContact CE-CG 4.16Å; M21-R31 HydrophobicContact SD-CB 4.32Å; M21-R31 HydrophobicContact SD-CG 4.08Å; M21-A34 HydrophobicContact CE-CB 3.97Å; M21-A34 HydrophobicContact SD-CB 3.63Å; M21-L35 HydrophobicContact CE-CD2 4.08Å; M21-L35 HydrophobicContact CE-CG 4.06Å
22K97.9Very high96.8Very high77 Ų7761.5 Ų61.534%0.33532%0.323SS..Hα-helixtrans-65.1-42.2171.8-76.5171.7-176.7160.10111.3E18 E19 Y20 L24 E25E18-K22 WeakPolarHBondContact O-CG 3.13Å; E18-K22 PolarHBondContact O-N 3.32Å; E18-K22 WeakPolarHBondContact OE1-CE 3.47Å; E18-K22 IonicContact OE1-NZ 2.93Å; E18-K22 PolarHBondContact OE1-NZ 2.82Å; E19-K22 WeakPolarHBondContact O-CB 3.47Å; E19-K22 PolarHBondContact O-N 2.69Å; E19-K22 IonicContact OE1-NZ 2.72Å; E19-K22 PolarHBondContact OE1-NZ 3.49Å; E19-K22 IonicContact OE2-NZ 2.68Å; Y20-K22 VanDerWaalsContact C-N 3.32Å; Y20-K22 PolarHBondContact O-N 3.33Å; K22-L24 PolarHBondContact O-N 3.48Å; K22-E25 WeakPolarHBondContact O-CA 3.27Å; K22-E25 PolarHBondContact O-N 2.76Å
23A97.8Very high96.7Very high28 Ų2860.4 Ų60.423%0.23131%0.313CS..Hα-helixtrans-64.8-25.2176.300000113E19 Y20 E25 A122 A125E19-A23 PolarHBondContact O-N 3.24Å; Y20-A23 PolarHBondContact O-N 3.37Å; A23-E25 VanDerWaalsContact C-N 3.3Å; A23-A122 HydrophobicContact CB-CB 4.32Å; A23-A122 VanDerWaalsContact CB-O 3.27Å; A23-A122 WeakPolarHBondContact CB-O 3.41Å; A23-A125 HydrophobicContact CB-CB 3.82Å
24L97.7Very high96.5Very high1 Ų159.4 Ų59.41%0.00531%0.307CS..THydrogen-bonded Turntrans-84.40.4170.3-67-179.3000114Y20 M21 K22 V26 D79 R81 I102 A122Y20-L24 HydrophobicContact CD1-CD1 4.16Å; Y20-L24 HydrophobicContact CE1-CD1 3.46Å; Y20-L24 VanDerWaalsContact CE1-CD1 3.46Å; Y20-L24 HydrophobicContact CE1-CG 4.36Å; Y20-L24 HydrophobicContact CE2-CD1 4.34Å; Y20-L24 PolarHBondContact O-N 2.92Å; Y20-L24 VanDerWaalsContact O-N 3.15Å; M21-L24 PolarHBondContact O-N 2.81Å; K22-L24 PolarHBondContact O-N 3.48Å; L24-V26 HydrophobicContact CB-CG2 3.92Å; L24-V26 PolarHBondContact O-N 2.82Å; L24-D79 HydrophobicContact CB-CB 4.42Å; L24-R81 PolarHBondContact O-NH1 3.1Å; L24-I102 HydrophobicContact CD2-CG1 4.28Å; L24-I102 HydrophobicContact CD2-CG2 4.35Å; L24-A122 HydrophobicContact CD2-CB 3.66Å; L24-A122 HydrophobicContact CG-CB 4.1Å
25E96.1Very high96.4Very high140 Ų14061 Ų6165%0.65432%0.315SS*.THydrogen-bonded Turntrans60.822.2-176.9-51.2179.7146.800114.4M21 K22 A23 N27 R81M21-E25 PolarHBondContact O-N 2.78Å; K22-E25 WeakPolarHBondContact O-CA 3.27Å; K22-E25 PolarHBondContact O-N 2.76Å; A23-E25 VanDerWaalsContact C-N 3.3Å; E25-N27 PolarHBondContact O-N 3.01Å; E25-R81 IonicContact OE2-CZ 2.84Å; E25-R81 IonicContact OE2-NH2 3.31Å; E25-R81 PolarHBondContact OE2-NH2 2.93Å
26V95.6Very high96.3Very high10 Ų1063.6 Ų63.66%0.06133%0.329CS..  trans-62.2132.6176.7176.30000109.2M21 L24 I30 R31 D79M21-V26 HydrophobicContact CB-CB 4.18Å; M21-V26 HydrophobicContact CB-CG2 4.36Å; M21-V26 WeakPolarHBondContact O-CB 3.4Å; M21-V26 PolarHBondContact O-N 2.82Å; L24-V26 HydrophobicContact CB-CG2 3.92Å; L24-V26 PolarHBondContact O-N 2.82Å; V26-I30 HydrophobicContact CG1-CB 3.92Å; V26-I30 HydrophobicContact CG1-CG2 3.65Å; V26-R31 HydrophobicContact CB-CG 4.02Å; V26-R31 HydrophobicContact CG1-CG 3.82Å; V26-R31 WeakPolarHBondContact O-CD 3.26Å; V26-R31 WeakPolarHBondContact O-CG 3.47Å; V26-R31 PolarHBondContact O-NH1 3.33Å; V26-D79 HydrophobicContact CG2-CB 4.15Å
27N94Very high96.1Very high91 Ų9160.9 Ų60.949%0.48731%0.314SS..  trans-63151.6-175.374.476.2000113.5E25 A29 I30 R31E25-N27 PolarHBondContact O-N 3.01Å; N27-A29 VanDerWaalsContact C-N 3.29Å; N27-A29 PolarHBondContact O-N 2.9Å; N27-A29 PolarHBondContact OD1-N 2.81Å; N27-I30 WeakPolarHBondContact ND2-CG1 3.34Å; N27-I30 PolarHBondContact O-N 2.85Å; N27-I30 WeakPolarHBondContact OD1-CG1 3.34Å; N27-I30 PolarHBondContact OD1-N 2.8Å; N27-R31 WeakPolarHBondContact O-CG 3.38Å; N27-R31 PolarHBondContact O-N 2.95Å
28V94.7Very high96Very high81 Ų8167.1 Ų67.149%0.49134%0.341SS..Hα-helixtrans-58.2-34.4-172.165.50000114.5K32V28-K32 WeakPolarHBondContact O-CG 3.09Å; V28-K32 PolarHBondContact O-N 3.33Å; V28-K32 VanDerWaalsContact O-N 3.1Å
29A93.8Very high95.9Very high58 Ų5864.3 Ų64.348%0.47933%0.329SS..Hα-helixtrans-68.6-46.2-179.100000110.7N27 K32 I33N27-A29 VanDerWaalsContact C-N 3.29Å; N27-A29 PolarHBondContact O-N 2.9Å; N27-A29 PolarHBondContact OD1-N 2.81Å; A29-K32 PolarHBondContact O-N 3.37Å; A29-I33 WeakPolarHBondContact O-CG1 3.49Å; A29-I33 PolarHBondContact O-N 2.86Å
30I93.4Very high95.9Very high56 Ų5661.9 Ų61.929%0.28732%0.319SS..Hα-helixtrans-63.1-42.7176-64.2-60.7000110.9V26 N27 K32 I33 A34 F58V26-I30 HydrophobicContact CG1-CB 3.92Å; V26-I30 HydrophobicContact CG1-CG2 3.65Å; N27-I30 WeakPolarHBondContact ND2-CG1 3.34Å; N27-I30 PolarHBondContact O-N 2.85Å; N27-I30 WeakPolarHBondContact OD1-CG1 3.34Å; N27-I30 PolarHBondContact OD1-N 2.8Å; I30-K32 VanDerWaalsContact C-N 3.34Å; I30-K32 PolarHBondContact O-N 3.32Å; I30-I33 PolarHBondContact O-N 2.96Å; I30-A34 WeakPolarHBondContact O-CB 3.4Å; I30-A34 PolarHBondContact O-N 3Å; I30-F58 HydrophobicContact CD1-CE1 4.05Å; I30-F58 HydrophobicContact CD1-CZ 3.96Å
31R95.4Very high95.9Very high40 Ų4061.8 Ų61.815%0.15132%0.319CS..Hα-helixtrans-57.8-45.4176.8-63.2-164.7-48.8-100.94.2112.3M21 V26 N27 I33 A34 L35M21-R31 HydrophobicContact CB-CG 3.77Å; M21-R31 HydrophobicContact CE-CB 3.93Å; M21-R31 HydrophobicContact CE-CG 4.16Å; M21-R31 HydrophobicContact SD-CB 4.32Å; M21-R31 HydrophobicContact SD-CG 4.08Å; V26-R31 HydrophobicContact CB-CG 4.02Å; V26-R31 HydrophobicContact CG1-CG 3.82Å; V26-R31 WeakPolarHBondContact O-CD 3.26Å; V26-R31 WeakPolarHBondContact O-CG 3.47Å; V26-R31 PolarHBondContact O-NH1 3.33Å; N27-R31 WeakPolarHBondContact O-CG 3.38Å; N27-R31 PolarHBondContact O-N 2.95Å; R31-I33 VanDerWaalsContact C-N 3.32Å; R31-I33 PolarHBondContact O-N 2.79Å; R31-A34 PolarHBondContact O-N 2.99Å; R31-L35 VanDerWaalsContact O-CG 3.3Å; R31-L35 WeakPolarHBondContact O-CG 3.48Å; R31-L35 PolarHBondContact O-N 2.71Å
32K95.2Very high96Very high147 Ų14763.3 Ų63.364%0.63933%0.327SS*.Hα-helixtrans-61.4-39.1178.6-76.3-175.3176.3-173.30112.7V28 A29 I30V28-K32 WeakPolarHBondContact O-CG 3.09Å; V28-K32 PolarHBondContact O-N 3.33Å; V28-K32 VanDerWaalsContact O-N 3.1Å; A29-K32 PolarHBondContact O-N 3.37Å; I30-K32 VanDerWaalsContact C-N 3.34Å; I30-K32 PolarHBondContact O-N 3.32Å
33I94.8Very high96Very high66 Ų6659.7 Ų59.734%0.33831%0.311SS..Hα-helixtrans-67-48.3175.3-65.9167.7000109.9A29 I30 R31 L35 L36 F58A29-I33 WeakPolarHBondContact O-CG1 3.49Å; A29-I33 PolarHBondContact O-N 2.86Å; I30-I33 PolarHBondContact O-N 2.96Å; R31-I33 VanDerWaalsContact C-N 3.32Å; R31-I33 PolarHBondContact O-N 2.79Å; I33-L35 VanDerWaalsContact C-N 3.27Å; I33-L35 PolarHBondContact O-N 2.89Å; I33-L36 WeakPolarHBondContact O-CB 3.44Å; I33-L36 PolarHBondContact O-N 2.61Å; I33-F58 HydrophobicContact CD1-CE2 4.41Å; I33-F58 HydrophobicContact CD1-CZ 4.44Å; I33-F58 HydrophobicContact CG2-CB 4.46Å; I33-F58 HydrophobicContact CG2-CD1 4.23Å; I33-F58 HydrophobicContact CG2-CD2 4.06Å; I33-F58 HydrophobicContact CG2-CE2 4.36Å; I33-F58 HydrophobicContact CG2-CG 3.98Å
34A94.8Very high96Very high14 Ų1461 Ų6112%0.11632%0.316CS..Hα-helixtrans-61.1-32.8-175.700000113.3F17 M21 I30 R31 L36 L37F17-A34 HydrophobicContact CE1-CB 3.96Å; M21-A34 HydrophobicContact CE-CB 3.97Å; M21-A34 HydrophobicContact SD-CB 3.63Å; I30-A34 WeakPolarHBondContact O-CB 3.4Å; I30-A34 PolarHBondContact O-N 3Å; R31-A34 PolarHBondContact O-N 2.99Å; A34-L36 PolarHBondContact O-N 2.82Å; A34-L37 WeakPolarHBondContact O-CB 3.46Å; A34-L37 PolarHBondContact O-N 3.31Å; A34-L37 VanDerWaalsContact O-N 3.17Å
35L95.8Very high96Very high75 Ų7562.1 Ų62.139%0.39332%0.322SS..THydrogen-bonded Turntrans-67-20.1175.2-69.3170.1000114.1F17 E18 M21 R31 I33F17-L35 HydrophobicContact CB-CD2 4.28Å; F17-L35 HydrophobicContact CD1-CD2 4.27Å; E18-L35 HydrophobicContact CB-CD1 4.07Å; E18-L35 HydrophobicContact CB-CD2 3.99Å; E18-L35 HydrophobicContact CG-CD1 4.08Å; M21-L35 HydrophobicContact CE-CD2 4.08Å; M21-L35 HydrophobicContact CE-CG 4.06Å; R31-L35 VanDerWaalsContact O-CG 3.3Å; R31-L35 WeakPolarHBondContact O-CG 3.48Å; R31-L35 PolarHBondContact O-N 2.71Å; I33-L35 VanDerWaalsContact C-N 3.27Å; I33-L35 PolarHBondContact O-N 2.89Å
36L95.6Very high96.1Very high151 Ų15161.3 Ų61.379%0.79132%0.322SS*.THydrogen-bonded Turntrans-87.8-10.2176.3-58.6174.4000112.4I33 A34I33-L36 WeakPolarHBondContact O-CB 3.44Å; I33-L36 PolarHBondContact O-N 2.61Å; A34-L36 PolarHBondContact O-N 2.82Å
37L94.9Very high96Very high30 Ų3063.3 Ų63.316%0.15735%0.345CS..  trans-85.4152.7-178.1-54.8177.7000111.1A34 T57 F58A34-L37 WeakPolarHBondContact O-CB 3.46Å; A34-L37 PolarHBondContact O-N 3.31Å; A34-L37 VanDerWaalsContact O-N 3.17Å; L37-T57 WeakPolarHBondContact CD2-OG1 3.45Å; L37-F58 HydrophobicContact CD1-CB 3.74Å; L37-F58 HydrophobicContact CD2-CB 4.1Å
38K95.8Very high96.1Very high163 Ų16363.5 Ų63.571%0.70935%0.345SS*.  trans-125.479.9168.1-64-174.3179.4-171.30107.7M11M11-K38 HydrophobicContact CB-CB 4.49Å; M11-K38 HydrophobicContact SD-CB 4.48Å
39P96.8Very high96.2Very high16 Ų1661.8 Ų61.810%0.10433%0.332CS..  trans-67.6137-176.924.7-32.7000110.7M11 T54 L55 F131M11-P39 VanDerWaalsContact CB-O 3.25Å; M11-P39 WeakPolarHBondContact CB-O 3.24Å; M11-P39 HydrophobicContact CE-CG 3.54Å; M11-P39 HydrophobicContact SD-CG 4.23Å; P39-T54 HydrophobicContact CB-CG2 3.79Å; P39-T54 HydrophobicContact CG-CG2 4.46Å; P39-L55 CarbonylContact C-O 3.43Å; P39-L55 WeakPolarHBondContact CA-O 3.41Å; P39-L55 WeakPolarHBondContact CB-O 3.36Å; P39-F131 WeakPolarHBondContact O-CE1 3.42Å
40D98.2Very high96.5Very high32 Ų3259 Ų5917%0.17131%0.309CS..EExtended strand (participates in β ladder)trans-96.7165.6174.1-67.6-22.2000110.1Y8 W9 K10 M11 T54 L55Y8-D40 HydrophobicContact CE1-CB 3.88Å; Y8-D40 WeakPolarHBondContact OH-CB 3.48Å; Y8-D40 PolarHBondContact OH-OD2 3.22Å; Y8-D40 VanDerWaalsContact OH-OD2 3.12Å; W9-D40 CarbonylContact O-C 3.59Å; W9-D40 WeakPolarHBondContact O-CA 3.3Å; W9-D40 WeakPolarHBondContact O-CB 3.35Å; K10-D40 VanDerWaalsContact CA-OD1 3.24Å; K10-D40 WeakPolarHBondContact CA-OD1 3.3Å; M11-D40 PolarHBondContact N-OD1 3.09Å; D40-T54 WeakPolarHBondContact O-CA 3.38Å; D40-L55 PolarHBondContact N-O 2.99Å; D40-L55 PolarHBondContact O-N 3.15Å
41K98.6Very high96.7Very high12 Ų1259.4 Ų59.45%0.05231%0.311CS..EExtended strand (participates in β ladder)trans-118.6134.8174.5-66.3-177.3179.8-69.30111.9Y8 W9 I43 K53 T54 L116 F131Y8-K41 CarbonylContact C-O 3.55Å; Y8-K41 WeakPolarHBondContact CA-O 3.34Å; W9-K41 HydrophobicContact CB-CB 4.21Å; W9-K41 PolarHBondContact N-O 2.87Å; W9-K41 PolarHBondContact O-N 2.81Å; K41-I43 HydrophobicContact CB-CG1 4.31Å; K41-K53 CarbonylContact C-O 3.59Å; K41-K53 VanDerWaalsContact CA-O 3.26Å; K41-K53 WeakPolarHBondContact CA-O 3.41Å; K41-T54 PolarHBondContact NZ-OG1 3.42Å; K41-T54 VanDerWaalsContact NZ-OG1 3.14Å; K41-L116 HydrophobicContact CD-CD2 3.77Å; K41-F131 HydrophobicContact CD-CE1 4.16Å; K41-F131 HydrophobicContact CD-CE2 4.14Å; K41-F131 HydrophobicContact CD-CZ 3.97Å; K41-F131 VanDerWaalsContact CE-CZ 3.41Å; K41-F131 HydrophobicContact CG-CD1 4.35Å; K41-F131 HydrophobicContact CG-CE1 3.94Å; K41-F131 HydrophobicContact CG-CZ 4.21Å
42D98.6Very high96.8Very high41 Ų4157.7 Ų57.722%0.21931%0.305CS..EExtended strand (participates in β ladder)trans-116.3111.6168.7172.932.4000107.5Y8 K53 L55Y8-D42 HydrophobicContact CD2-CB 4Å; Y8-D42 HydrophobicContact CE2-CB 4.34Å; D42-K53 HydrophobicContact CB-CB 4.23Å; D42-K53 HydrophobicContact CB-CD 4.46Å; D42-K53 PolarHBondContact N-O 2.84Å; D42-K53 PolarHBondContact O-N 2.94Å; D42-K53 IonicContact OD2-NZ 3.76Å; D42-K53 PolarHBondContact OD2-NZ 2.88Å; D42-L55 HydrophobicContact CB-CD1 4.05Å
43I98.6Very high97Very high1 Ų154.2 Ų54.21%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-115.7126.6-173.2-58-180000109.5M5 N6 G7 K41 M51 I52 L116M5-I43 HydrophobicContact CB-CG2 4.18Å; M5-I43 WeakPolarHBondContact O-CB 3.22Å; N6-I43 WeakPolarHBondContact CA-O 3.44Å; G7-I43 PolarHBondContact N-O 3.1Å; G7-I43 PolarHBondContact O-N 3.02Å; K41-I43 HydrophobicContact CB-CG1 4.31Å; I43-M51 WeakPolarHBondContact CA-O 3.45Å; I43-I52 HydrophobicContact CG1-CG1 4.37Å; I43-I52 HydrophobicContact CG1-CG2 4.22Å; I43-I52 HydrophobicContact CG2-CG1 4.36Å; I43-L116 HydrophobicContact CD1-CD2 3.76Å
44V98.4Very high97.1Very high55 Ų5552.4 Ų52.433%0.33328%0.281SS..EExtended strand (participates in β ladder)trans-117.1125.5168.1-179.10000108.3N6 L50 M51N6-V44 WeakPolarHBondContact OD1-CA 3.27Å; V44-L50 WeakPolarHBondContact O-CA 3.36Å; V44-M51 HydrophobicContact CB-CB 4.39Å; V44-M51 HydrophobicContact CB-CE 4.12Å; V44-M51 HydrophobicContact CG1-CE 3.96Å; V44-M51 PolarHBondContact N-O 3.32Å; V44-M51 PolarHBondContact O-N 3.2Å
45Q97.5Very high97.2Very high25 Ų2553.9 Ų53.912%0.11729%0.287CS..EExtended strand (participates in β ladder)trans-125.6112.4179.4173.8-178-11.100108.8V3 N6 L50V3-Q45 PolarHBondContact O-NE2 2.86Å; V3-Q45 VanDerWaalsContact O-NE2 3.16Å; V3-Q45 PolarHBondContact O-OE1 3.3Å; N6-Q45 PolarHBondContact ND2-O 2.93Å; N6-Q45 PolarHBondContact OD1-N 3.31Å; Q45-L50 HydrophobicContact CB-CG 4.09Å; Q45-L50 HydrophobicContact CG-CD1 3.93Å; Q45-L50 HydrophobicContact CG-CG 4Å
46D96.8Very high97.2Very high124 Ų12451.7 Ų51.766%0.66328%0.278SS*.EExtended strand (participates in β ladder)trans-116.793175.4-175.217.3000109.5D48 H49D46-D48 PolarHBondContact O-N 2.74Å; D46-D48 VanDerWaalsContact O-N 3.1Å; D46-H49 PolarHBondContact N-O 2.9Å; D46-H49 PolarHBondContact O-N 3.09Å
47G94.6Very high97Very high52 Ų5251.2 Ų51.254%0.53628%0.281SS..THydrogen-bonded Turntrans59.4-114.4-171.300000111.5
48D95.8Very high96.7Very high94 Ų9455.2 Ų55.250%0.50330%0.298SS..THydrogen-bonded Turntrans-94.6-3.1178.1-67.7-31000113.3D46 H66 V67D46-D48 PolarHBondContact O-N 2.74Å; D46-D48 VanDerWaalsContact O-N 3.1Å; D48-H66 CarbonylContact O-C 3.44Å; D48-H66 VanDerWaalsContact O-CA 3.32Å; D48-H66 WeakPolarHBondContact O-CA 3.49Å; D48-V67 HydrophobicContact CB-CB 4.33Å; D48-V67 PolarHBondContact O-N 2.83Å
49H97.8Very high96.4Very high46 Ų4652.3 Ų52.321%0.21329%0.285CS..EExtended strand (participates in β ladder)trans-91119.5174.2-179.7-149.1000109.7D46 D64 F65 H66D46-H49 PolarHBondContact N-O 2.9Å; D46-H49 PolarHBondContact O-N 3.09Å; H49-D64 IonicContact CD2-OD1 3.73Å; H49-D64 IonicContact CE1-OD1 2.92Å; H49-D64 IonicContact NE2-OD1 3.87Å; H49-D64 PolarHBondContact NE2-OD1 3.02Å; H49-D64 IonicContact NE2-OD2 2.76Å; H49-F65 PolarHBondContact CD2-O 3.32Å; H49-H66 AromaticContact CD2-CE1 3.85Å
50L98.2Very high96.2Very high0 Ų055.6 Ų55.60%030%0.302CS..EExtended strand (participates in β ladder)trans-120.6134178.9-78.972.1000110.6V44 Q45 F65 V67 L94V44-L50 WeakPolarHBondContact O-CA 3.36Å; Q45-L50 HydrophobicContact CB-CG 4.09Å; Q45-L50 HydrophobicContact CG-CD1 3.93Å; Q45-L50 HydrophobicContact CG-CG 4Å; L50-F65 HydrophobicContact CB-CE1 4.15Å; L50-F65 HydrophobicContact CB-CE2 3.92Å; L50-F65 HydrophobicContact CB-CZ 3.69Å; L50-F65 HydrophobicContact CD2-CE2 4.38Å; L50-F65 HydrophobicContact CD2-CZ 4.13Å; L50-F65 PolarHBondContact N-O 3.27Å; L50-F65 PolarHBondContact O-N 3.04Å; L50-V67 HydrophobicContact CD1-CG2 3.69Å; L50-L94 HydrophobicContact CD2-CD1 4.44Å; L50-L94 HydrophobicContact CD2-CD2 3.6Å
51M98.4Very high96.1Very high64 Ų6456.2 Ų56.232%0.31530%0.302SS..EExtended strand (participates in β ladder)trans-113.9119.2165.7-69177.8-82.300108.8I43 V44 M63 D64I43-M51 WeakPolarHBondContact CA-O 3.45Å; V44-M51 HydrophobicContact CB-CB 4.39Å; V44-M51 HydrophobicContact CB-CE 4.12Å; V44-M51 HydrophobicContact CG1-CE 3.96Å; V44-M51 PolarHBondContact N-O 3.32Å; V44-M51 PolarHBondContact O-N 3.2Å; M51-M63 CarbonylContact C-O 3.59Å; M51-M63 VanDerWaalsContact CA-O 3.27Å; M51-M63 WeakPolarHBondContact CA-O 3.49Å; M51-D64 HydrophobicContact CG-CB 4.23Å
52I98.3Very high95.9Very high4 Ų460.4 Ų60.42%0.02133%0.325CS..EExtended strand (participates in β ladder)trans-118.8111178.5-57.1176.9000108I43 N62 M63 F65 L94 W107I43-I52 HydrophobicContact CG1-CG1 4.37Å; I43-I52 HydrophobicContact CG1-CG2 4.22Å; I43-I52 HydrophobicContact CG2-CG1 4.36Å; I52-N62 WeakPolarHBondContact O-CA 3.4Å; I52-M63 HydrophobicContact CB-CB 4.35Å; I52-M63 PolarHBondContact N-O 2.91Å; I52-M63 PolarHBondContact O-N 2.76Å; I52-F65 HydrophobicContact CD1-CE1 3.98Å; I52-F65 HydrophobicContact CD1-CZ 4Å; I52-F65 HydrophobicContact CG1-CE1 4.31Å; I52-L94 HydrophobicContact CD1-CD2 4.44Å; I52-W107 HydrophobicContact CD1-CH2 4.37Å
53K98.2Very high95.8Very high73 Ų7359.1 Ų59.132%0.31732%0.318SS..EExtended strand (participates in β ladder)trans-100.5124.4173.5-55.3175.5-162.5147.50109.2K41 D42 L55 N62K41-K53 CarbonylContact C-O 3.59Å; K41-K53 VanDerWaalsContact CA-O 3.26Å; K41-K53 WeakPolarHBondContact CA-O 3.41Å; D42-K53 HydrophobicContact CB-CB 4.23Å; D42-K53 HydrophobicContact CB-CD 4.46Å; D42-K53 PolarHBondContact N-O 2.84Å; D42-K53 PolarHBondContact O-N 2.94Å; D42-K53 IonicContact OD2-NZ 3.76Å; D42-K53 PolarHBondContact OD2-NZ 2.88Å; K53-L55 HydrophobicContact CB-CD2 4.01Å; K53-L55 HydrophobicContact CB-CG 4.27Å; K53-N62 WeakPolarHBondContact CB-OD1 3.43Å
54T97.9Very high95.8Very high28 Ų2863.8 Ų63.817%0.17234%0.343CS..EExtended strand (participates in β ladder)trans-100.8115.8169.4-57.80000108P39 D40 K41 N60 Y61P39-T54 HydrophobicContact CB-CG2 3.79Å; P39-T54 HydrophobicContact CG-CG2 4.46Å; D40-T54 WeakPolarHBondContact O-CA 3.38Å; K41-T54 PolarHBondContact NZ-OG1 3.42Å; K41-T54 VanDerWaalsContact NZ-OG1 3.14Å; T54-N60 VanDerWaalsContact O-CA 3.31Å; T54-N60 WeakPolarHBondContact O-CA 3.43Å; T54-Y61 WeakPolarHBondContact CB-O 3.4Å; T54-Y61 PolarHBondContact N-O 3.18Å; T54-Y61 PolarHBondContact O-N 2.68Å
55L97.2Very high95.8Very high45 Ų4561.4 Ų61.424%0.23633%0.328CS..EExtended strand (participates in β ladder)trans-112.1124.6-166.2-58174.4000110.4Y8 P39 D40 D42 K53 N60Y8-L55 HydrophobicContact CE2-CD1 3.91Å; P39-L55 CarbonylContact C-O 3.43Å; P39-L55 WeakPolarHBondContact CA-O 3.41Å; P39-L55 WeakPolarHBondContact CB-O 3.36Å; D40-L55 PolarHBondContact N-O 2.99Å; D40-L55 PolarHBondContact O-N 3.15Å; D42-L55 HydrophobicContact CB-CD1 4.05Å; K53-L55 HydrophobicContact CB-CD2 4.01Å; K53-L55 HydrophobicContact CB-CG 4.27Å; L55-N60 WeakPolarHBondContact CA-OD1 3.37Å; L55-N60 HydrophobicContact CD2-CB 4.46Å
56S94.7Very high95.8Very high29 Ų2964.2 Ų64.220%0.20334%0.341CS..  trans-138.3167173.983.40000111.7F58 K59 N60S56-F58 PolarHBondContact O-N 3.5Å; S56-F58 PolarHBondContact OG-N 3.36Å; S56-K59 PolarHBondContact OG-N 3.16Å; S56-K59 PolarHBondContact OG-O 3.39Å; S56-N60 PolarHBondContact N-OD1 2.78Å; S56-N60 PolarHBondContact O-OD1 2.64Å; S56-N60 VanDerWaalsContact O-OD1 3.11Å
57T91.2Very high95.9Very high141 Ų14159.2 Ų59.287%0.86532%0.315SS*.SBendtrans-71.8-1217652.20000113.7L37L37-T57 WeakPolarHBondContact CD2-OG1 3.45Å
58F89.2Confident96Very high114 Ų11459.2 Ų59.250%0.532%0.315SS..SBendtrans-105-56.4-177.8-178-110.7000112.2I30 I33 L37 S56I30-F58 HydrophobicContact CD1-CE1 4.05Å; I30-F58 HydrophobicContact CD1-CZ 3.96Å; I33-F58 HydrophobicContact CD1-CE2 4.41Å; I33-F58 HydrophobicContact CD1-CZ 4.44Å; I33-F58 HydrophobicContact CG2-CB 4.46Å; I33-F58 HydrophobicContact CG2-CD1 4.23Å; I33-F58 HydrophobicContact CG2-CD2 4.06Å; I33-F58 HydrophobicContact CG2-CE2 4.36Å; I33-F58 HydrophobicContact CG2-CG 3.98Å; L37-F58 HydrophobicContact CD1-CB 3.74Å; L37-F58 HydrophobicContact CD2-CB 4.1Å; S56-F58 PolarHBondContact O-N 3.5Å; S56-F58 PolarHBondContact OG-N 3.36Å
59K89.4Confident96.2Very high103 Ų10361 Ų6145%0.44832%0.319SS..  trans-149.1139.2-179.9-164.3158.6-169.9173.20111.1S56S56-K59 PolarHBondContact OG-N 3.16Å; S56-K59 PolarHBondContact OG-O 3.39Å
60N93.6Very high96.2Very high84 Ų8463.5 Ų63.545%0.44933%0.33SS..  trans-98.9151.5174.7-63.4-17.8000109.8T54 L55 S56T54-N60 VanDerWaalsContact O-CA 3.31Å; T54-N60 WeakPolarHBondContact O-CA 3.43Å; L55-N60 WeakPolarHBondContact CA-OD1 3.37Å; L55-N60 HydrophobicContact CD2-CB 4.46Å; S56-N60 PolarHBondContact N-OD1 2.78Å; S56-N60 PolarHBondContact O-OD1 2.64Å; S56-N60 VanDerWaalsContact O-OD1 3.11Å
61Y94.5Very high96.2Very high46 Ų4665.5 Ų65.518%0.1834%0.339CS..EExtended strand (participates in β ladder)trans-135.8125.4175.7170.3-107.7000108.9T54 M63 E73 L75 V78T54-Y61 WeakPolarHBondContact CB-O 3.4Å; T54-Y61 PolarHBondContact N-O 3.18Å; T54-Y61 PolarHBondContact O-N 2.68Å; Y61-M63 HydrophobicContact CD1-CG 4.45Å; Y61-M63 HydrophobicContact CE1-CG 3.51Å; Y61-M63 HydrophobicContact CE1-SD 3.92Å; Y61-M63 WeakPolarHBondContact OH-CG 3.49Å; Y61-E73 VanDerWaalsContact OH-CD 3.27Å; Y61-E73 WeakPolarHBondContact OH-CG 3.41Å; Y61-E73 PolarHBondContact OH-OE1 3.14Å; Y61-L75 HydrophobicContact CE2-CD2 4.02Å; Y61-V78 HydrophobicContact CD2-CG2 3.89Å; Y61-V78 HydrophobicContact CE2-CG2 4.41Å; Y61-V78 HydrophobicContact CG-CG2 4.04Å
62N94.8Very high96.2Very high100 Ų10068 Ų6854%0.53535%0.35SS..EExtended strand (participates in β ladder)trans-121.5136.7-173.3-59-27000109.7I52 K53I52-N62 WeakPolarHBondContact O-CA 3.4Å; K53-N62 WeakPolarHBondContact CB-OD1 3.43Å
63M97Very high96.2Very high14 Ų1468.2 Ų68.27%0.06935%0.351CS..EExtended strand (participates in β ladder)trans-114.2138.5170-56.2-178.567.600108.9M51 I52 Y61 F65 F71 E73 W107M51-M63 CarbonylContact C-O 3.59Å; M51-M63 VanDerWaalsContact CA-O 3.27Å; M51-M63 WeakPolarHBondContact CA-O 3.49Å; I52-M63 HydrophobicContact CB-CB 4.35Å; I52-M63 PolarHBondContact N-O 2.91Å; I52-M63 PolarHBondContact O-N 2.76Å; Y61-M63 HydrophobicContact CD1-CG 4.45Å; Y61-M63 HydrophobicContact CE1-CG 3.51Å; Y61-M63 HydrophobicContact CE1-SD 3.92Å; Y61-M63 WeakPolarHBondContact OH-CG 3.49Å; M63-F65 HydrophobicContact CB-CD1 3.85Å; M63-F65 HydrophobicContact CB-CE1 3.91Å; M63-F65 HydrophobicContact CE-CD1 4.12Å; M63-F65 HydrophobicContact CE-CE1 4Å; M63-F71 HydrophobicContact CE-CZ 4.04Å; M63-E73 WeakPolarHBondContact CE-OE1 3.34Å; M63-W107 HydrophobicContact CE-CZ2 3.84Å; M63-W107 HydrophobicContact SD-CZ2 4.02Å
64D97.9Very high96.1Very high99 Ų9968.8 Ų68.853%0.52936%0.357SS..EExtended strand (participates in β ladder)trans-139.6108.9174.3-177-27.9000106.9H49 M51H49-D64 IonicContact CD2-OD1 3.73Å; H49-D64 IonicContact CE1-OD1 2.92Å; H49-D64 IonicContact NE2-OD1 3.87Å; H49-D64 PolarHBondContact NE2-OD1 3.02Å; H49-D64 IonicContact NE2-OD2 2.76Å; M51-D64 HydrophobicContact CG-CB 4.23Å
65F98.3Very high95.9Very high4 Ų467.6 Ų67.62%0.01835%0.35CS..EExtended strand (participates in β ladder)trans-152.5161.3-170.262.6-88.6000112.5H49 L50 I52 M63 V67 F71 V87 L94H49-F65 PolarHBondContact CD2-O 3.32Å; L50-F65 HydrophobicContact CB-CE1 4.15Å; L50-F65 HydrophobicContact CB-CE2 3.92Å; L50-F65 HydrophobicContact CB-CZ 3.69Å; L50-F65 HydrophobicContact CD2-CE2 4.38Å; L50-F65 HydrophobicContact CD2-CZ 4.13Å; L50-F65 PolarHBondContact N-O 3.27Å; L50-F65 PolarHBondContact O-N 3.04Å; I52-F65 HydrophobicContact CD1-CE1 3.98Å; I52-F65 HydrophobicContact CD1-CZ 4Å; I52-F65 HydrophobicContact CG1-CE1 4.31Å; M63-F65 HydrophobicContact CB-CD1 3.85Å; M63-F65 HydrophobicContact CB-CE1 3.91Å; M63-F65 HydrophobicContact CE-CD1 4.12Å; M63-F65 HydrophobicContact CE-CE1 4Å; F65-V67 HydrophobicContact CE2-CG2 4.2Å; F65-F71 HydrophobicContact CB-CD1 3.78Å; F65-F71 HydrophobicContact CB-CE1 3.39Å; F65-F71 HydrophobicContact CB-CE2 4.39Å; F65-F71 HydrophobicContact CB-CG 4.44Å; F65-F71 HydrophobicContact CB-CZ 3.75Å; F65-F71 HydrophobicContact CD1-CE1 4.49Å; F65-F71 HydrophobicContact CD1-CZ 4.29Å; F65-F71 HydrophobicContact CD2-CE1 4.49Å; F65-F71 AromaticContact CG-CE1 3.91Å; F65-F71 HydrophobicContact CG-CE1 3.91Å; F65-F71 HydrophobicContact CG-CZ 4.14Å; F65-V87 HydrophobicContact CD2-CB 3.89Å; F65-V87 HydrophobicContact CD2-CG1 4.45Å; F65-V87 HydrophobicContact CD2-CG2 3.89Å; F65-V87 HydrophobicContact CE1-CG2 4.45Å; F65-V87 HydrophobicContact CE2-CB 3.53Å; F65-V87 HydrophobicContact CE2-CG1 3.6Å; F65-V87 HydrophobicContact CE2-CG2 3.68Å; F65-V87 HydrophobicContact CG-CG2 4.39Å; F65-V87 HydrophobicContact CZ-CB 4.19Å; F65-V87 HydrophobicContact CZ-CG1 4Å; F65-V87 HydrophobicContact CZ-CG2 3.97Å; F65-L94 HydrophobicContact CZ-CD2 4.34Å
66H98.4Very high95.6Very high84 Ų8469.3 Ų69.339%0.38936%0.362SS..EExtended strand (participates in β ladder)trans-104.3130.8169.5-69.571.9000109.6D48 H49 G68 K69D48-H66 CarbonylContact O-C 3.44Å; D48-H66 VanDerWaalsContact O-CA 3.32Å; D48-H66 WeakPolarHBondContact O-CA 3.49Å; H49-H66 AromaticContact CD2-CE1 3.85Å; H66-G68 PolarHBondContact O-N 2.82Å; H66-K69 HydrophobicContact CB-CB 4.29Å; H66-K69 HydrophobicContact CB-CD 3.85Å; H66-K69 HydrophobicContact CB-CG 4.13Å; H66-K69 PolarHBondContact O-N 3.33Å; H66-K69 VanDerWaalsContact O-N 3.16Å
67V98Very high95.1Very high20 Ų2069.2 Ų69.212%0.12137%0.366CS..THydrogen-bonded Turntrans-58.3138.1176.8-178.30000110.1D48 L50 F65 K69 V87 W89 L94D48-V67 HydrophobicContact CB-CB 4.33Å; D48-V67 PolarHBondContact O-N 2.83Å; L50-V67 HydrophobicContact CD1-CG2 3.69Å; F65-V67 HydrophobicContact CE2-CG2 4.2Å; V67-K69 PolarHBondContact O-N 2.86Å; V67-V87 WeakPolarHBondContact CA-O 3.42Å; V67-V87 WeakPolarHBondContact CG1-O 3.5Å; V67-W89 HydrophobicContact CG1-CG 4.39Å; V67-L94 HydrophobicContact CG2-CD1 4.21Å
68G97.9Very high95Very high52 Ų5264.8 Ų64.854%0.53634%0.338SS..THydrogen-bonded Turntrans78-2.3-178.600000115H66 V87H66-G68 PolarHBondContact O-N 2.82Å; G68-V87 PolarHBondContact N-O 2.86Å
69K98.4Very high95.2Very high132 Ų13260.2 Ų60.257%0.57432%0.319SS*.  trans-107.6126.3176.3-58.6-170.4-171.7168.80110.3H66 V67H66-K69 HydrophobicContact CB-CB 4.29Å; H66-K69 HydrophobicContact CB-CD 3.85Å; H66-K69 HydrophobicContact CB-CG 4.13Å; H66-K69 PolarHBondContact O-N 3.33Å; H66-K69 VanDerWaalsContact O-N 3.16Å; V67-K69 PolarHBondContact O-N 2.86Å
70E98.6Very high95.4Very high97 Ų9760.9 Ų60.945%0.45333%0.328SS..  trans-71.1139.9173.1-166174.3-111.800109.8M84 T85 T86 K99E70-M84 HydrophobicContact CG-CB 4.24Å; E70-M84 HydrophobicContact CG-CE 3.95Å; E70-T85 CarbonylContact C-O 3.55Å; E70-T85 VanDerWaalsContact CA-O 3.3Å; E70-T85 WeakPolarHBondContact CA-O 3.28Å; E70-T86 WeakPolarHBondContact CB-OG1 3.47Å; E70-T86 WeakPolarHBondContact CG-OG1 3.32Å; E70-K99 IonicContact OE1-NZ 3.95Å; E70-K99 PolarHBondContact OE1-NZ 3.23Å
71F98.4Very high95.5Very high43 Ų4358.7 Ų58.719%0.18931%0.313CS..EExtended strand (participates in β ladder)trans-140.9156.917864.4-81.8000111.1M63 F65 E73 T85 V87M63-F71 HydrophobicContact CE-CZ 4.04Å; F65-F71 HydrophobicContact CB-CD1 3.78Å; F65-F71 HydrophobicContact CB-CE1 3.39Å; F65-F71 HydrophobicContact CB-CE2 4.39Å; F65-F71 HydrophobicContact CB-CG 4.44Å; F65-F71 HydrophobicContact CB-CZ 3.75Å; F65-F71 HydrophobicContact CD1-CE1 4.49Å; F65-F71 HydrophobicContact CD1-CZ 4.29Å; F65-F71 HydrophobicContact CD2-CE1 4.49Å; F65-F71 AromaticContact CG-CE1 3.91Å; F65-F71 HydrophobicContact CG-CE1 3.91Å; F65-F71 HydrophobicContact CG-CZ 4.14Å; F71-E73 HydrophobicContact CD2-CB 4.19Å; F71-E73 HydrophobicContact CE2-CB 3.73Å; F71-E73 HydrophobicContact CE2-CG 4.03Å; F71-E73 PolarHBondContact O-N 3.16Å; F71-T85 VanDerWaalsContact CD1-O 3.24Å; F71-T85 WeakPolarHBondContact CD1-O 3.49Å; F71-T85 HydrophobicContact CE1-CG2 3.86Å; F71-T85 HydrophobicContact CE2-CG2 4.4Å; F71-T85 HydrophobicContact CZ-CG2 3.64Å; F71-T85 PolarHBondContact N-O 3.05Å; F71-T85 PolarHBondContact O-N 3.25Å; F71-V87 HydrophobicContact CE1-CG2 4.32Å
72E98.3Very high95.7Very high117 Ų11762.1 Ų62.155%0.54733%0.329SS..EExtended strand (participates in β ladder)trans-78.8117.2169.6-174.1-179.710100108.7K82 M84E72-K82 HydrophobicContact CG-CD 4.29Å; E72-K82 WeakPolarHBondContact OE1-CD 3.36Å; E72-K82 WeakPolarHBondContact OE1-CE 3.48Å; E72-K82 IonicContact OE1-NZ 3.75Å; E72-K82 PolarHBondContact OE1-NZ 2.79Å; E72-M84 HydrophobicContact CB-SD 4.23Å
73E97.9Very high95.8Very high7 Ų757.6 Ų57.63%0.03331%0.305CS..EExtended strand (participates in β ladder)trans-99.4117.3178.9-173.8-179-138.400109.7Y61 M63 F71 L75 K82 C83 T85 Q98Y61-E73 VanDerWaalsContact OH-CD 3.27Å; Y61-E73 WeakPolarHBondContact OH-CG 3.41Å; Y61-E73 PolarHBondContact OH-OE1 3.14Å; M63-E73 WeakPolarHBondContact CE-OE1 3.34Å; F71-E73 HydrophobicContact CD2-CB 4.19Å; F71-E73 HydrophobicContact CE2-CB 3.73Å; F71-E73 HydrophobicContact CE2-CG 4.03Å; F71-E73 PolarHBondContact O-N 3.16Å; E73-L75 HydrophobicContact CG-CD2 4.11Å; E73-L75 HydrophobicContact CG-CG 4.16Å; E73-K82 WeakPolarHBondContact O-CA 3.2Å; E73-C83 PolarHBondContact N-O 3.18Å; E73-C83 PolarHBondContact O-N 2.72Å; E73-C83 VanDerWaalsContact O-N 3.09Å; E73-T85 WeakPolarHBondContact CB-OG1 3.37Å; E73-T85 WeakPolarHBondContact OE2-CB 3.45Å; E73-T85 PolarHBondContact OE2-OG1 3.26Å; E73-Q98 VanDerWaalsContact CD-NE2 3.33Å; E73-Q98 PolarHBondContact OE1-NE2 3.2Å; E73-Q98 WeakPolarHBondContact OE2-CG 3.44Å; E73-Q98 PolarHBondContact OE2-NE2 3.06Å
74D95.9Very high95.9Very high85 Ų8560.5 Ų60.546%0.45532%0.319SS..EExtended strand (participates in β ladder)trans-85.7114.5173.7-172.4-10.7000109.8T76D74-T76 VanDerWaalsContact C-N 3.34Å; D74-T76 WeakPolarHBondContact OD1-CB 3.24Å; D74-T76 PolarHBondContact OD1-N 3.17Å; D74-T76 PolarHBondContact OD1-OG1 3.47Å
75L94.6Very high95.9Very high3 Ų355.8 Ų55.82%0.01629%0.294CS..  trans-101.422.9-178.3-61.2150.7000111.6Y61 E73 G77 V78 D79 D80 R81 C83 R105Y61-L75 HydrophobicContact CE2-CD2 4.02Å; E73-L75 HydrophobicContact CG-CD2 4.11Å; E73-L75 HydrophobicContact CG-CG 4.16Å; L75-G77 PolarHBondContact O-N 2.86Å; L75-G77 VanDerWaalsContact O-N 3.14Å; L75-V78 HydrophobicContact CB-CB 4.44Å; L75-V78 PolarHBondContact O-N 2.91Å; L75-D79 WeakPolarHBondContact CB-OD1 3.49Å; L75-D79 PolarHBondContact O-N 2.67Å; L75-D80 PolarHBondContact O-N 2.85Å; L75-D80 VanDerWaalsContact O-N 3.1Å; L75-R81 WeakPolarHBondContact CA-O 3.44Å; L75-R81 VanDerWaalsContact CB-O 3.29Å; L75-R81 WeakPolarHBondContact CB-O 3.47Å; L75-R81 PolarHBondContact N-O 3.14Å; L75-C83 HydrophobicContact CD1-CB 4.1Å; L75-R105 VanDerWaalsContact CD1-CZ 3.42Å
76T90.6Very high96Very high82 Ų8257 Ų5750%0.50330%0.302SS..THydrogen-bonded Turntrans-51.4118.3170.9-65.50000110.3D74 D80D74-T76 VanDerWaalsContact C-N 3.34Å; D74-T76 WeakPolarHBondContact OD1-CB 3.24Å; D74-T76 PolarHBondContact OD1-N 3.17Å; D74-T76 PolarHBondContact OD1-OG1 3.47Å; T76-D80 WeakPolarHBondContact CA-OD1 3.14Å
77G84.7Confident96Very high26 Ų2653 Ų5327%0.26828%0.284SS..THydrogen-bonded Turntrans92.8-6-175.800000117.9L75 D80L75-G77 PolarHBondContact O-N 2.86Å; L75-G77 VanDerWaalsContact O-N 3.14Å; G77-D80 PolarHBondContact N-OD1 2.89Å
78V89.6Confident96Very high49 Ų4954.5 Ų54.530%0.29729%0.293SS..THydrogen-bonded Turntrans-98-68.5165.1-1780000107.9Y61 L75Y61-V78 HydrophobicContact CD2-CG2 3.89Å; Y61-V78 HydrophobicContact CE2-CG2 4.41Å; Y61-V78 HydrophobicContact CG-CG2 4.04Å; L75-V78 HydrophobicContact CB-CB 4.44Å; L75-V78 PolarHBondContact O-N 2.91Å
79D92.9Very high96Very high17 Ų1754.5 Ų54.59%0.09128%0.277CS..THydrogen-bonded Turntrans-137.610.6178.169.3-45.7000113.3L24 V26 L75 R81 R105L24-D79 HydrophobicContact CB-CB 4.42Å; V26-D79 HydrophobicContact CG2-CB 4.15Å; L75-D79 WeakPolarHBondContact CB-OD1 3.49Å; L75-D79 PolarHBondContact O-N 2.67Å; D79-R81 PolarHBondContact O-N 3.33Å; D79-R81 WeakPolarHBondContact OD2-CD 3.12Å; D79-R81 IonicContact OD2-CZ 3.57Å; D79-R81 IonicContact OD2-NH1 3.9Å; D79-R81 PolarHBondContact OD2-NH1 3.26Å; D79-R105 IonicContact OD1-CZ 2.69Å; D79-R105 IonicContact OD1-NH1 3.58Å; D79-R105 PolarHBondContact OD1-NH1 3.46Å; D79-R105 IonicContact OD1-NH2 3.99Å; D79-R105 PolarHBondContact OD1-NH2 2.87Å; D79-R105 IonicContact OD2-CZ 2.96Å; D79-R105 IonicContact OD2-NH1 3.55Å; D79-R105 PolarHBondContact OD2-NH1 3.07Å; D79-R105 IonicContact OD2-NH2 3.66Å
80D93.5Very high95.9Very high118 Ų11854.1 Ų54.163%0.63128%0.277SS*.SBendtrans59.925.6173.9-57-40.5000114.8L75 T76 G77L75-D80 PolarHBondContact O-N 2.85Å; L75-D80 VanDerWaalsContact O-N 3.1Å; T76-D80 WeakPolarHBondContact CA-OD1 3.14Å; G77-D80 PolarHBondContact N-OD1 2.89Å
81R96.1Very high95.7Very high37 Ų3752.6 Ų52.614%0.1429%0.287CS..  trans-102.6173.2174.9-67.1-172.1177.888.20.5112.4L24 E25 L75 D79 E101L24-R81 PolarHBondContact O-NH1 3.1Å; E25-R81 IonicContact OE2-CZ 2.84Å; E25-R81 IonicContact OE2-NH2 3.31Å; E25-R81 PolarHBondContact OE2-NH2 2.93Å; L75-R81 WeakPolarHBondContact CA-O 3.44Å; L75-R81 VanDerWaalsContact CB-O 3.29Å; L75-R81 WeakPolarHBondContact CB-O 3.47Å; L75-R81 PolarHBondContact N-O 3.14Å; D79-R81 PolarHBondContact O-N 3.33Å; D79-R81 WeakPolarHBondContact OD2-CD 3.12Å; D79-R81 IonicContact OD2-CZ 3.57Å; D79-R81 IonicContact OD2-NH1 3.9Å; D79-R81 PolarHBondContact OD2-NH1 3.26Å; R81-E101 WeakPolarHBondContact CD-OE2 3.44Å; R81-E101 IonicContact CZ-OE2 3.57Å; R81-E101 IonicContact NE-OE2 3.51Å; R81-E101 PolarHBondContact NE-OE2 2.76Å; R81-E101 IonicContact NH2-OE2 2.74Å
82K97.2Very high95.6Very high118 Ų11855.5 Ų55.551%0.51330%0.304SS..EExtended strand (participates in β ladder)trans-118.7144.8164.8-66.1-176.2168.8-1590110.1E72 E73E72-K82 HydrophobicContact CG-CD 4.29Å; E72-K82 WeakPolarHBondContact OE1-CD 3.36Å; E72-K82 WeakPolarHBondContact OE1-CE 3.48Å; E72-K82 IonicContact OE1-NZ 3.75Å; E72-K82 PolarHBondContact OE1-NZ 2.79Å; E73-K82 WeakPolarHBondContact O-CA 3.2Å
83C98.1Very high95.6Very high5 Ų554.6 Ų54.63%0.03430%0.298CS..EExtended strand (participates in β ladder)trans-128.6150.2174.6-74.10000110.4E73 L75 T85 Q98 K99E73-C83 PolarHBondContact N-O 3.18Å; E73-C83 PolarHBondContact O-N 2.72Å; E73-C83 VanDerWaalsContact O-N 3.09Å; L75-C83 HydrophobicContact CD1-CB 4.1Å; C83-T85 WeakPolarHBondContact CB-OG1 3.29Å; C83-Q98 HydrophobicContact CB-CB 4Å; C83-K99 WeakPolarHBondContact CA-O 3.21Å
84M98.6Very high95.6Very high76 Ų7654.2 Ų54.237%0.37430%0.297SS..EExtended strand (participates in β ladder)trans-87.9107.5161.8-63.9-53.5-54.400107.6E70 E72 K99E70-M84 HydrophobicContact CG-CB 4.24Å; E70-M84 HydrophobicContact CG-CE 3.95Å; E72-M84 HydrophobicContact CB-SD 4.23Å; M84-K99 HydrophobicContact CB-CB 4.45Å; M84-K99 PolarHBondContact N-O 3.18Å; M84-K99 WeakPolarHBondContact O-CB 3.24Å; M84-K99 PolarHBondContact O-N 3.2Å
85T98.8Very high95.7Very high0 Ų050.8 Ų50.80%028%0.279CS..EExtended strand (participates in β ladder)trans-112.4132.5-165.5-64.80000110.3E70 F71 E73 C83 V87 C96 V97 Q98E70-T85 CarbonylContact C-O 3.55Å; E70-T85 VanDerWaalsContact CA-O 3.3Å; E70-T85 WeakPolarHBondContact CA-O 3.28Å; F71-T85 VanDerWaalsContact CD1-O 3.24Å; F71-T85 WeakPolarHBondContact CD1-O 3.49Å; F71-T85 HydrophobicContact CE1-CG2 3.86Å; F71-T85 HydrophobicContact CE2-CG2 4.4Å; F71-T85 HydrophobicContact CZ-CG2 3.64Å; F71-T85 PolarHBondContact N-O 3.05Å; F71-T85 PolarHBondContact O-N 3.25Å; E73-T85 WeakPolarHBondContact CB-OG1 3.37Å; E73-T85 WeakPolarHBondContact OE2-CB 3.45Å; E73-T85 PolarHBondContact OE2-OG1 3.26Å; C83-T85 WeakPolarHBondContact CB-OG1 3.29Å; T85-V87 HydrophobicContact CG2-CG2 4.43Å; T85-C96 WeakPolarHBondContact CG2-SG 3.43Å; T85-V97 WeakPolarHBondContact CA-O 3.5Å; T85-Q98 HydrophobicContact CG2-CG 3.95Å
86T98.8Very high96Very high30 Ų3050.7 Ų50.718%0.18428%0.278CS..EExtended strand (participates in β ladder)trans-127.1131.9173.8-540000109.1E70 T88 C96 V97E70-T86 WeakPolarHBondContact CB-OG1 3.47Å; E70-T86 WeakPolarHBondContact CG-OG1 3.32Å; T86-T88 HydrophobicContact CG2-CG2 4.13Å; T86-C96 WeakPolarHBondContact O-CA 3.3Å; T86-V97 PolarHBondContact N-O 3.04Å; T86-V97 PolarHBondContact O-N 3.1Å
87V98.7Very high96.3Very high0 Ų050.2 Ų50.20%028%0.275CS..EExtended strand (participates in β ladder)trans-115.3131.2175.9-1720000108.9F65 V67 G68 F71 T85 L94 V95 C96 W107F65-V87 HydrophobicContact CD2-CB 3.89Å; F65-V87 HydrophobicContact CD2-CG1 4.45Å; F65-V87 HydrophobicContact CD2-CG2 3.89Å; F65-V87 HydrophobicContact CE1-CG2 4.45Å; F65-V87 HydrophobicContact CE2-CB 3.53Å; F65-V87 HydrophobicContact CE2-CG1 3.6Å; F65-V87 HydrophobicContact CE2-CG2 3.68Å; F65-V87 HydrophobicContact CG-CG2 4.39Å; F65-V87 HydrophobicContact CZ-CB 4.19Å; F65-V87 HydrophobicContact CZ-CG1 4Å; F65-V87 HydrophobicContact CZ-CG2 3.97Å; V67-V87 WeakPolarHBondContact CA-O 3.42Å; V67-V87 WeakPolarHBondContact CG1-O 3.5Å; G68-V87 PolarHBondContact N-O 2.86Å; F71-V87 HydrophobicContact CE1-CG2 4.32Å; T85-V87 HydrophobicContact CG2-CG2 4.43Å; V87-L94 HydrophobicContact CG1-CD1 3.52Å; V87-L94 HydrophobicContact CG1-CD2 3.9Å; V87-L94 HydrophobicContact CG1-CG 3.43Å; V87-L94 VanDerWaalsContact CG1-CG 3.43Å; V87-V95 CarbonylContact C-O 3.57Å; V87-V95 WeakPolarHBondContact CA-O 3.5Å; V87-C96 HydrophobicContact CG2-CB 4.03Å; V87-W107 HydrophobicContact CG1-CH2 3.81Å; V87-W107 HydrophobicContact CG1-CZ2 4.43Å; V87-W107 HydrophobicContact CG1-CZ3 4.49Å; V87-W107 HydrophobicContact CG2-CH2 4.27Å; V87-W107 HydrophobicContact CG2-CZ2 4.07Å
88T98.3Very high97Very high50 Ų5049.3 Ų49.331%0.30726%0.264SS..EExtended strand (participates in β ladder)trans-136.5153.5-176.5480000111.6T86 V95T86-T88 HydrophobicContact CG2-CG2 4.13Å; T88-V95 PolarHBondContact N-O 3.19Å; T88-V95 PolarHBondContact O-N 3.25Å
89W97.4Very high97.4Very high53 Ų5352.5 Ų52.520%0.20127%0.274CS..EExtended strand (participates in β ladder)trans-82.7128.7168.2-70.6112.7000111.1P2 M5 V67 K93 L94P2-W89 HydrophobicContact CB-CD2 4.1Å; P2-W89 HydrophobicContact CB-CH2 4.24Å; P2-W89 HydrophobicContact CB-CZ2 3.78Å; M5-W89 HydrophobicContact CE-CH2 3.77Å; M5-W89 HydrophobicContact CE-CZ3 3.71Å; M5-W89 HydrophobicContact CG-CH2 4.45Å; M5-W89 HydrophobicContact SD-CH2 4.16Å; V67-W89 HydrophobicContact CG1-CG 4.39Å; W89-K93 WeakPolarHBondContact CA-O 3.49Å; W89-L94 HydrophobicContact CD2-CD1 3.85Å; W89-L94 HydrophobicContact CE3-CB 4.31Å; W89-L94 HydrophobicContact CE3-CD1 4.08Å; W89-L94 HydrophobicContact CG-CD1 4.46Å; W89-L94 HydrophobicContact CH2-CB 4.34Å; W89-L94 HydrophobicContact CH2-CD1 4.12Å; W89-L94 HydrophobicContact CZ2-CD1 3.89Å; W89-L94 HydrophobicContact CZ3-CB 4.01Å; W89-L94 HydrophobicContact CZ3-CD1 4.21Å
90E96.8Very high97.6Very high124 Ų12454 Ų5458%0.57929%0.293SS*.EExtended strand (participates in β ladder)trans-119.790.9166.9-68.9-174.1-167.600108.7D92 K93 V95E90-D92 PolarHBondContact O-N 3.2Å; E90-K93 PolarHBondContact N-O 3.4Å; E90-K93 PolarHBondContact O-N 2.87Å; E90-K93 VanDerWaalsContact O-N 3.17Å; E90-V95 HydrophobicContact CB-CG2 3.92Å; E90-V95 HydrophobicContact CG-CB 4.29Å; E90-V95 HydrophobicContact CG-CG2 3.85Å
91G95.4Very high97.8Very high64 Ų6455.5 Ų55.566%0.6630%0.296SS*.THydrogen-bonded Turntrans62-124.2-166.900000110.5K93G91-K93 VanDerWaalsContact C-N 3.3Å
92D96Very high97.9Very high105 Ų10554.8 Ų54.856%0.56130%0.295SS*.THydrogen-bonded Turntrans-919.4179.4-61-27.1000113.2V3 E90V3-D92 HydrophobicContact CB-CB 4.38Å; V3-D92 HydrophobicContact CG2-CB 4.14Å; E90-D92 PolarHBondContact O-N 3.2Å
93K97.9Very high97.9Very high97 Ų9757.1 Ų57.142%0.42231%0.308SS..EExtended strand (participates in β ladder)trans-107.6137.6-179.2-54.2-167.8175.6-1780110.9W89 E90 G91 V95 T108 W110W89-K93 WeakPolarHBondContact CA-O 3.49Å; E90-K93 PolarHBondContact N-O 3.4Å; E90-K93 PolarHBondContact O-N 2.87Å; E90-K93 VanDerWaalsContact O-N 3.17Å; G91-K93 VanDerWaalsContact C-N 3.3Å; K93-V95 HydrophobicContact CB-CG2 4.44Å; K93-T108 HydrophobicContact CB-CG2 4.06Å; K93-T108 HydrophobicContact CD-CG2 4.02Å; K93-W110 HydrophobicContact CB-CB 4.38Å; K93-W110 HydrophobicContact CD-CB 4.45Å; K93-W110 HydrophobicContact CG-CB 3.88Å
94L98.1Very high97.8Very high0 Ų060 Ų600%034%0.338CS..EExtended strand (participates in β ladder)trans-92.3114.9170.6-164.669.5000108.3M5 L50 I52 F65 V67 V87 W89 W107 T108 Q109M5-L94 HydrophobicContact CE-CB 4Å; M5-L94 HydrophobicContact SD-CB 4.38Å; M5-L94 HydrophobicContact SD-CD2 4.39Å; L50-L94 HydrophobicContact CD2-CD1 4.44Å; L50-L94 HydrophobicContact CD2-CD2 3.6Å; I52-L94 HydrophobicContact CD1-CD2 4.44Å; F65-L94 HydrophobicContact CZ-CD2 4.34Å; V67-L94 HydrophobicContact CG2-CD1 4.21Å; V87-L94 HydrophobicContact CG1-CD1 3.52Å; V87-L94 HydrophobicContact CG1-CD2 3.9Å; V87-L94 HydrophobicContact CG1-CG 3.43Å; V87-L94 VanDerWaalsContact CG1-CG 3.43Å; W89-L94 HydrophobicContact CD2-CD1 3.85Å; W89-L94 HydrophobicContact CE3-CB 4.31Å; W89-L94 HydrophobicContact CE3-CD1 4.08Å; W89-L94 HydrophobicContact CG-CD1 4.46Å; W89-L94 HydrophobicContact CH2-CB 4.34Å; W89-L94 HydrophobicContact CH2-CD1 4.12Å; W89-L94 HydrophobicContact CZ2-CD1 3.89Å; W89-L94 HydrophobicContact CZ3-CB 4.01Å; W89-L94 HydrophobicContact CZ3-CD1 4.21Å; L94-W107 HydrophobicContact CB-CZ3 4.2Å; L94-W107 HydrophobicContact CD2-CH2 3.69Å; L94-W107 HydrophobicContact CD2-CZ3 3.87Å; L94-W107 HydrophobicContact CG-CH2 4.04Å; L94-W107 HydrophobicContact CG-CZ3 3.94Å; L94-T108 CarbonylContact O-C 3.54Å; L94-T108 WeakPolarHBondContact O-CA 3.48Å; L94-Q109 HydrophobicContact CB-CB 4.37Å; L94-Q109 PolarHBondContact N-O 3.38Å; L94-Q109 PolarHBondContact O-N 3.4Å
95V98.6Very high97.8Very high13 Ų1356.8 Ų56.88%0.07932%0.322CS..EExtended strand (participates in β ladder)trans-111.1128.2-176.3-179.20000109.1V87 T88 E90 K93 T108V87-V95 CarbonylContact C-O 3.57Å; V87-V95 WeakPolarHBondContact CA-O 3.5Å; T88-V95 PolarHBondContact N-O 3.19Å; T88-V95 PolarHBondContact O-N 3.25Å; E90-V95 HydrophobicContact CB-CG2 3.92Å; E90-V95 HydrophobicContact CG-CB 4.29Å; E90-V95 HydrophobicContact CG-CG2 3.85Å; K93-V95 HydrophobicContact CB-CG2 4.44Å; V95-T108 HydrophobicContact CG2-CG2 4.03Å
96C98.8Very high97.8Very high0 Ų056.9 Ų56.90%032%0.323CS..EExtended strand (participates in β ladder)trans-117.6135.2179.3178.10000110.6T85 T86 V87 G106 W107T85-C96 WeakPolarHBondContact CG2-SG 3.43Å; T86-C96 WeakPolarHBondContact O-CA 3.3Å; V87-C96 HydrophobicContact CG2-CB 4.03Å; C96-G106 CarbonylContact O-C 3.59Å; C96-G106 VanDerWaalsContact O-CA 3.22Å; C96-G106 WeakPolarHBondContact O-CA 3.34Å; C96-W107 HydrophobicContact CB-CD2 3.28Å; C96-W107 HydrophobicContact CB-CE3 3.73Å; C96-W107 HydrophobicContact CB-CG 3.74Å; C96-W107 HydrophobicContact CB-CH2 3.83Å; C96-W107 HydrophobicContact CB-CZ2 3.42Å; C96-W107 VanDerWaalsContact CB-CZ2 3.42Å; C96-W107 HydrophobicContact CB-CZ3 3.97Å; C96-W107 PolarHBondContact N-O 2.96Å; C96-W107 PolarHBondContact O-N 3.34Å; C96-W107 VanDerWaalsContact SG-CE2 3.54Å; C96-W107 PolarHBondContact SG-NE1 3.1Å
97V98.8Very high97.8Very high72 Ų7256 Ų5644%0.43632%0.316SS..EExtended strand (participates in β ladder)trans-118.4124.7170.3179.90000108.1T85 T86 K99T85-V97 WeakPolarHBondContact CA-O 3.5Å; T86-V97 PolarHBondContact N-O 3.04Å; T86-V97 PolarHBondContact O-N 3.1Å; V97-K99 HydrophobicContact CG1-CG 4.08Å
98Q98.7Very high97.8Very high8 Ų856.9 Ų56.94%0.03732%0.321CS..EExtended strand (participates in β ladder)trans-110.195179.2-61.2175.9-6800108.1E73 C83 T85 R105E73-Q98 VanDerWaalsContact CD-NE2 3.33Å; E73-Q98 PolarHBondContact OE1-NE2 3.2Å; E73-Q98 WeakPolarHBondContact OE2-CG 3.44Å; E73-Q98 PolarHBondContact OE2-NE2 3.06Å; C83-Q98 HydrophobicContact CB-CB 4Å; T85-Q98 HydrophobicContact CG2-CG 3.95Å; Q98-R105 HydrophobicContact CB-CB 4.23Å; Q98-R105 HydrophobicContact CB-CG 3.9Å; Q98-R105 PolarHBondContact N-O 2.82Å
99K98.4Very high97.9Very high116 Ų11654.6 Ų54.650%0.50431%0.307SS..EExtended strand (participates in β ladder)trans-79.4124.4-179.3-60.4174.7-166.2149.10109.6E70 C83 M84 V97E70-K99 IonicContact OE1-NZ 3.95Å; E70-K99 PolarHBondContact OE1-NZ 3.23Å; C83-K99 WeakPolarHBondContact CA-O 3.21Å; M84-K99 HydrophobicContact CB-CB 4.45Å; M84-K99 PolarHBondContact N-O 3.18Å; M84-K99 WeakPolarHBondContact O-CB 3.24Å; M84-K99 PolarHBondContact O-N 3.2Å; V97-K99 HydrophobicContact CG1-CG 4.08Å
100G97.2Very high97.9Very high48 Ų4854.1 Ų54.150%0.49531%0.305SS..SBendtrans-176.7-151-179.900000111.4I102G100-I102 PolarHBondContact O-N 2.92Å
101E96.9Very high98Very high149 Ų14949.9 Ų49.970%0.69629%0.288SS*.SBendtrans-66-33.5-177.1-63.6177.9-177.200113.8R81R81-E101 WeakPolarHBondContact CD-OE2 3.44Å; R81-E101 IonicContact CZ-OE2 3.57Å; R81-E101 IonicContact NE-OE2 3.51Å; R81-E101 PolarHBondContact NE-OE2 2.76Å; R81-E101 IonicContact NH2-OE2 2.74Å
102I97.8Very high98.1Very high22 Ų2252.2 Ų52.211%0.11328%0.282CS..SBendtrans-91.7119-177.2-54.7-60000109.7L24 G100 R105 A122L24-I102 HydrophobicContact CD2-CG1 4.28Å; L24-I102 HydrophobicContact CD2-CG2 4.35Å; G100-I102 PolarHBondContact O-N 2.92Å; I102-R105 HydrophobicContact CB-CB 4.35Å; I102-R105 HydrophobicContact CG2-CB 4.39Å; I102-R105 WeakPolarHBondContact O-CB 3.1Å; I102-A122 HydrophobicContact CG2-CB 4.01Å
103E97.1Very high98Very high168 Ų16850.9 Ų50.979%0.78529%0.293SS*.THydrogen-bonded Turntrans-65.3147177.9-66-168.7163.600112.6R105 G123E103-R105 PolarHBondContact O-N 2.94Å; E103-R105 VanDerWaalsContact O-N 3.12Å; E103-G123 PolarHBondContact O-N 2.62Å
104G97.5Very high98Very high65 Ų6550 Ų5067%0.6729%0.293SS*.THydrogen-bonded Turntrans62.219.2176.400000114.4
105R98.7Very high98Very high9 Ų953 Ų533%0.03431%0.306CS..  trans-73.9131-179.3-169-170.2178.2147.57.1111.3L75 D79 Q98 I102 E103 R121 A122L75-R105 VanDerWaalsContact CD1-CZ 3.42Å; D79-R105 IonicContact OD1-CZ 2.69Å; D79-R105 IonicContact OD1-NH1 3.58Å; D79-R105 PolarHBondContact OD1-NH1 3.46Å; D79-R105 IonicContact OD1-NH2 3.99Å; D79-R105 PolarHBondContact OD1-NH2 2.87Å; D79-R105 IonicContact OD2-CZ 2.96Å; D79-R105 IonicContact OD2-NH1 3.55Å; D79-R105 PolarHBondContact OD2-NH1 3.07Å; D79-R105 IonicContact OD2-NH2 3.66Å; Q98-R105 HydrophobicContact CB-CB 4.23Å; Q98-R105 HydrophobicContact CB-CG 3.9Å; Q98-R105 PolarHBondContact N-O 2.82Å; I102-R105 HydrophobicContact CB-CB 4.35Å; I102-R105 HydrophobicContact CG2-CB 4.39Å; I102-R105 WeakPolarHBondContact O-CB 3.1Å; E103-R105 PolarHBondContact O-N 2.94Å; E103-R105 VanDerWaalsContact O-N 3.12Å; R105-R121 VanDerWaalsContact CA-O 3.3Å; R105-R121 WeakPolarHBondContact CA-O 3.46Å; R105-A122 HydrophobicContact CG-CB 4.49Å
106G98.6Very high98Very high1 Ų152.3 Ų52.31%0.0130%0.303CS..EExtended strand (participates in β ladder)trans164.9-169.8176.500000111.8C96 R121C96-G106 CarbonylContact O-C 3.59Å; C96-G106 VanDerWaalsContact O-CA 3.22Å; C96-G106 WeakPolarHBondContact O-CA 3.34Å; G106-R121 PolarHBondContact N-O 2.96Å; G106-R121 PolarHBondContact O-N 2.76Å
107W98.8Very high98Very high13 Ų1353.5 Ų53.55%0.04931%0.308CS..EExtended strand (participates in β ladder)trans-152.8161.418052.7-101.1000112.8I52 M63 V87 L94 C96 Q109 L118 E119 L120 R121I52-W107 HydrophobicContact CD1-CH2 4.37Å; M63-W107 HydrophobicContact CE-CZ2 3.84Å; M63-W107 HydrophobicContact SD-CZ2 4.02Å; V87-W107 HydrophobicContact CG1-CH2 3.81Å; V87-W107 HydrophobicContact CG1-CZ2 4.43Å; V87-W107 HydrophobicContact CG1-CZ3 4.49Å; V87-W107 HydrophobicContact CG2-CH2 4.27Å; V87-W107 HydrophobicContact CG2-CZ2 4.07Å; L94-W107 HydrophobicContact CB-CZ3 4.2Å; L94-W107 HydrophobicContact CD2-CH2 3.69Å; L94-W107 HydrophobicContact CD2-CZ3 3.87Å; L94-W107 HydrophobicContact CG-CH2 4.04Å; L94-W107 HydrophobicContact CG-CZ3 3.94Å; C96-W107 HydrophobicContact CB-CD2 3.28Å; C96-W107 HydrophobicContact CB-CE3 3.73Å; C96-W107 HydrophobicContact CB-CG 3.74Å; C96-W107 HydrophobicContact CB-CH2 3.83Å; C96-W107 HydrophobicContact CB-CZ2 3.42Å; C96-W107 VanDerWaalsContact CB-CZ2 3.42Å; C96-W107 HydrophobicContact CB-CZ3 3.97Å; C96-W107 PolarHBondContact N-O 2.96Å; C96-W107 PolarHBondContact O-N 3.34Å; C96-W107 VanDerWaalsContact SG-CE2 3.54Å; C96-W107 PolarHBondContact SG-NE1 3.1Å; W107-Q109 HydrophobicContact CE3-CB 3.97Å; W107-Q109 HydrophobicContact CZ3-CB 3.79Å; W107-L118 HydrophobicContact CB-CD1 3.94Å; W107-L118 HydrophobicContact CD2-CD1 4.22Å; W107-L118 HydrophobicContact CE3-CD1 4.03Å; W107-L118 HydrophobicContact CG-CD1 4.23Å; W107-E119 CarbonylContact C-O 3.6Å; W107-E119 WeakPolarHBondContact CA-O 3.48Å; W107-E119 VanDerWaalsContact CB-O 3.26Å; W107-E119 WeakPolarHBondContact CB-O 3.26Å; W107-L120 HydrophobicContact CB-CD2 3.81Å; W107-L120 HydrophobicContact CG-CD2 4.36Å; W107-R121 PolarHBondContact O-NH2 2.9Å; W107-R121 VanDerWaalsContact O-NH2 3.1Å
108T98.9Very high98Very high18 Ų1850.4 Ų50.411%0.1129%0.289CS..EExtended strand (participates in β ladder)trans-129.8127.4172.1-58.80000108.7K93 L94 V95 W110 L118 E119 R121K93-T108 HydrophobicContact CB-CG2 4.06Å; K93-T108 HydrophobicContact CD-CG2 4.02Å; L94-T108 CarbonylContact O-C 3.54Å; L94-T108 WeakPolarHBondContact O-CA 3.48Å; V95-T108 HydrophobicContact CG2-CG2 4.03Å; T108-W110 HydrophobicContact CG2-CE3 4.03Å; T108-W110 HydrophobicContact CG2-CZ3 4.34Å; T108-W110 WeakPolarHBondContact O-CZ3 3.48Å; T108-L118 WeakPolarHBondContact O-CA 3.44Å; T108-E119 PolarHBondContact N-O 2.88Å; T108-E119 PolarHBondContact O-N 2.87Å; T108-R121 PolarHBondContact OG1-NH1 2.8Å; T108-R121 PolarHBondContact OG1-NH2 2.82Å
109Q98.8Very high98Very high2 Ų252 Ų521%0.00930%0.297CS..EExtended strand (participates in β ladder)trans-120.8136.5-179.1-171.6173.3-86.800110.1M5 L94 W107 L116 H117 L118M5-Q109 HydrophobicContact SD-CG 4.22Å; M5-Q109 PolarHBondContact SD-NE2 2.85Å; L94-Q109 HydrophobicContact CB-CB 4.37Å; L94-Q109 PolarHBondContact N-O 3.38Å; L94-Q109 PolarHBondContact O-N 3.4Å; W107-Q109 HydrophobicContact CE3-CB 3.97Å; W107-Q109 HydrophobicContact CZ3-CB 3.79Å; Q109-L116 HydrophobicContact CG-CD1 3.61Å; Q109-L116 HydrophobicContact CG-CG 4.17Å; Q109-H117 VanDerWaalsContact CA-O 3.27Å; Q109-H117 WeakPolarHBondContact CA-O 3.44Å; Q109-H117 WeakPolarHBondContact CG-O 3.32Å; Q109-L118 HydrophobicContact CB-CD1 4Å; Q109-L118 HydrophobicContact CG-CD1 4.43Å
110W98.4Very high98Very high42 Ų4247.4 Ų47.416%0.15928%0.277CS..EExtended strand (participates in β ladder)trans-153.3165.817970.399.3000111.1K93 T108 E112 H117 E119K93-W110 HydrophobicContact CB-CB 4.38Å; K93-W110 HydrophobicContact CD-CB 4.45Å; K93-W110 HydrophobicContact CG-CB 3.88Å; T108-W110 HydrophobicContact CG2-CE3 4.03Å; T108-W110 HydrophobicContact CG2-CZ3 4.34Å; T108-W110 WeakPolarHBondContact O-CZ3 3.48Å; W110-E112 PolarHBondContact NE1-OE1 2.93Å; W110-H117 HydrophobicContact CD2-CB 3.57Å; W110-H117 AromaticContact CE2-CG 3.72Å; W110-H117 HydrophobicContact CE3-CB 3.94Å; W110-H117 HydrophobicContact CG-CB 4.18Å; W110-H117 HydrophobicContact CH2-CB 3.77Å; W110-H117 HydrophobicContact CZ2-CB 3.37Å; W110-H117 AromaticContact CZ2-CG 3.85Å; W110-H117 HydrophobicContact CZ3-CB 4.03Å; W110-H117 PolarHBondContact N-O 2.84Å; W110-H117 AromaticContact NE1-CD2 3.72Å; W110-H117 AromaticContact NE1-CG 3.71Å; W110-H117 PolarHBondContact O-N 2.85Å; W110-E119 HydrophobicContact CH2-CB 4.3Å; W110-E119 HydrophobicContact CZ3-CB 3.99Å
111V98Very high98.1Very high36 Ų3647.8 Ų47.822%0.21826%0.264CS..EExtended strand (participates in β ladder)trans-117133.9-178.7175.50000109.7V3 M5 W9 E115 L116V3-V111 HydrophobicContact CG1-CB 4.19Å; V3-V111 HydrophobicContact CG1-CG2 4.08Å; M5-V111 HydrophobicContact CG-CG2 4.02Å; W9-V111 HydrophobicContact CH2-CG1 4.29Å; W9-V111 HydrophobicContact CH2-CG2 4.23Å; V111-E115 CarbonylContact C-O 3.54Å; V111-E115 WeakPolarHBondContact CA-O 3.35Å; V111-L116 HydrophobicContact CG2-CD1 3.8Å
112E97.1Very high98.2Very high113 Ų11340.8 Ų40.853%0.52823%0.231SC..EExtended strand (participates in β ladder)trans-127.9103.5170.5-63.5-177.1-16400108.7W110 D114 E115 H117W110-E112 PolarHBondContact NE1-OE1 2.93Å; E112-D114 PolarHBondContact O-N 2.85Å; E112-E115 PolarHBondContact N-O 3.43Å; E112-E115 PolarHBondContact O-N 3.38Å; E112-H117 IonicContact OE2-NE2 2.62Å
113G95.8Very high98.1Very high77 Ų7742.1 Ų42.179%0.79425%0.251SS*.THydrogen-bonded Turntrans63.8-116.8-176.200000112.3
114D96.6Very high98.1Very high79 Ų7937.8 Ų37.842%0.42225%0.251SS..THydrogen-bonded Turntrans-101.114.4176.568.7-18.7000113.2E112 K132 K133E112-D114 PolarHBondContact O-N 2.85Å; D114-K132 IonicContact OD1-NZ 2.68Å; D114-K132 PolarHBondContact OD1-NZ 2.93Å; D114-K132 WeakPolarHBondContact OD2-CD 3.32Å; D114-K132 IonicContact OD2-NZ 3.96Å; D114-K132 PolarHBondContact OD2-NZ 3.31Å; D114-K133 PolarHBondContact O-N 3.03Å
115E98.3Very high98.1Very high61 Ų6135.6 Ų35.629%0.28523%0.226SC..EExtended strand (participates in β ladder)trans-108.7132177.2-60.6-170.817000111.7V111 E112 H117 V130 F131 K132V111-E115 CarbonylContact C-O 3.54Å; V111-E115 WeakPolarHBondContact CA-O 3.35Å; E112-E115 PolarHBondContact N-O 3.43Å; E112-E115 PolarHBondContact O-N 3.38Å; E115-H117 IonicContact OE2-CE1 3.9Å; E115-H117 IonicContact OE2-NE2 2.87Å; E115-V130 HydrophobicContact CB-CG1 4.15Å; E115-V130 HydrophobicContact CG-CG1 4.33Å; E115-F131 CarbonylContact C-O 3.53Å; E115-F131 VanDerWaalsContact CA-O 3.24Å; E115-F131 WeakPolarHBondContact CA-O 3.41Å; E115-K132 HydrophobicContact CG-CD 4.32Å
116L98.7Very high98.1Very high0 Ų037.7 Ų37.70%024%0.24CC..EExtended strand (participates in β ladder)trans-98.1123.5166.4178.877.8000107.6M5 W9 K41 I43 Q109 V111 V130 F131M5-L116 HydrophobicContact SD-CD1 4.49Å; W9-L116 HydrophobicContact CB-CD2 4.15Å; W9-L116 HydrophobicContact CD2-CB 3.67Å; W9-L116 HydrophobicContact CD2-CD2 4.03Å; W9-L116 HydrophobicContact CD2-CG 4.38Å; W9-L116 HydrophobicContact CE3-CB 3.4Å; W9-L116 HydrophobicContact CG-CB 4.22Å; W9-L116 HydrophobicContact CG-CD2 3.8Å; W9-L116 HydrophobicContact CH2-CB 4.23Å; W9-L116 HydrophobicContact CZ2-CB 4.48Å; W9-L116 HydrophobicContact CZ3-CB 3.7Å; K41-L116 HydrophobicContact CD-CD2 3.77Å; I43-L116 HydrophobicContact CD1-CD2 3.76Å; Q109-L116 HydrophobicContact CG-CD1 3.61Å; Q109-L116 HydrophobicContact CG-CG 4.17Å; V111-L116 HydrophobicContact CG2-CD1 3.8Å; L116-V130 WeakPolarHBondContact O-CA 3.43Å; L116-F131 HydrophobicContact CB-CB 4.23Å; L116-F131 HydrophobicContact CD2-CD2 4.25Å; L116-F131 HydrophobicContact CG-CD2 4.5Å; L116-F131 PolarHBondContact N-O 2.87Å; L116-F131 WeakPolarHBondContact O-CD2 3.27Å; L116-F131 PolarHBondContact O-N 3.05Å
117H98.8Very high98.1Very high24 Ų2437.6 Ų37.611%0.11124%0.24CC..EExtended strand (participates in β ladder)trans-104.9139.5176.7-63.2-93000109.9Q109 W110 E112 E115Q109-H117 VanDerWaalsContact CA-O 3.27Å; Q109-H117 WeakPolarHBondContact CA-O 3.44Å; Q109-H117 WeakPolarHBondContact CG-O 3.32Å; W110-H117 HydrophobicContact CD2-CB 3.57Å; W110-H117 AromaticContact CE2-CG 3.72Å; W110-H117 HydrophobicContact CE3-CB 3.94Å; W110-H117 HydrophobicContact CG-CB 4.18Å; W110-H117 HydrophobicContact CH2-CB 3.77Å; W110-H117 HydrophobicContact CZ2-CB 3.37Å; W110-H117 AromaticContact CZ2-CG 3.85Å; W110-H117 HydrophobicContact CZ3-CB 4.03Å; W110-H117 PolarHBondContact N-O 2.84Å; W110-H117 AromaticContact NE1-CD2 3.72Å; W110-H117 AromaticContact NE1-CG 3.71Å; W110-H117 PolarHBondContact O-N 2.85Å; E112-H117 IonicContact OE2-NE2 2.62Å; E115-H117 IonicContact OE2-CE1 3.9Å; E115-H117 IonicContact OE2-NE2 2.87Å
118L98.9Very high98.1Very high7 Ų742.2 Ų42.24%0.03726%0.26CS..EExtended strand (participates in β ladder)trans-133.9124.6174.2177.868.2000109.7W107 T108 Q109 L120 K128 Q129 F131W107-L118 HydrophobicContact CB-CD1 3.94Å; W107-L118 HydrophobicContact CD2-CD1 4.22Å; W107-L118 HydrophobicContact CE3-CD1 4.03Å; W107-L118 HydrophobicContact CG-CD1 4.23Å; T108-L118 WeakPolarHBondContact O-CA 3.44Å; Q109-L118 HydrophobicContact CB-CD1 4Å; Q109-L118 HydrophobicContact CG-CD1 4.43Å; L118-L120 HydrophobicContact CD1-CD2 4.33Å; L118-L120 HydrophobicContact CD2-CD1 4.45Å; L118-L120 HydrophobicContact CD2-CD2 3.86Å; L118-L120 HydrophobicContact CD2-CG 4.06Å; L118-L120 HydrophobicContact CG-CD2 4.09Å; L118-L120 HydrophobicContact CG-CG 4.12Å; L118-K128 WeakPolarHBondContact O-CA 3.42Å; L118-Q129 HydrophobicContact CB-CB 4.28Å; L118-Q129 PolarHBondContact N-O 3.12Å; L118-Q129 PolarHBondContact O-N 2.68Å; L118-F131 HydrophobicContact CB-CE2 4.18Å
119E98.9Very high98.1Very high43 Ų4341.9 Ų41.920%0.20126%0.257CS..EExtended strand (participates in β ladder)trans-107.1117.1168.4-172.6-176.692.500109.2W107 T108 W110 R121 V126 C127 K128W107-E119 CarbonylContact C-O 3.6Å; W107-E119 WeakPolarHBondContact CA-O 3.48Å; W107-E119 VanDerWaalsContact CB-O 3.26Å; W107-E119 WeakPolarHBondContact CB-O 3.26Å; T108-E119 PolarHBondContact N-O 2.88Å; T108-E119 PolarHBondContact O-N 2.87Å; W110-E119 HydrophobicContact CH2-CB 4.3Å; W110-E119 HydrophobicContact CZ3-CB 3.99Å; E119-R121 HydrophobicContact CG-CG 4.39Å; E119-R121 IonicContact OE1-CZ 2.94Å; E119-R121 IonicContact OE1-NH1 2.78Å; E119-R121 PolarHBondContact OE1-NH1 2.82Å; E119-V126 HydrophobicContact CG-CG1 3.45Å; E119-V126 VanDerWaalsContact CG-CG1 3.45Å; E119-C127 CarbonylContact C-O 3.42Å; E119-C127 WeakPolarHBondContact CA-O 3.24Å; E119-K128 HydrophobicContact CG-CG 4.34Å; E119-K128 WeakPolarHBondContact OE2-CE 3.18Å; E119-K128 IonicContact OE2-NZ 3.89Å
120L98.8Very high98.1Very high19 Ų1942.9 Ų42.910%0.09926%0.264CS..EExtended strand (participates in β ladder)trans-98.2136176-63.7169.8000109.4Y20 W107 L118 V126 C127Y20-L120 HydrophobicContact CD1-CD1 4.34Å; Y20-L120 HydrophobicContact CD2-CB 3.99Å; Y20-L120 HydrophobicContact CE1-CB 4.3Å; Y20-L120 HydrophobicContact CE1-CD1 4.04Å; Y20-L120 HydrophobicContact CE2-CB 3.71Å; Y20-L120 HydrophobicContact CG-CB 4.4Å; W107-L120 HydrophobicContact CB-CD2 3.81Å; W107-L120 HydrophobicContact CG-CD2 4.36Å; L118-L120 HydrophobicContact CD1-CD2 4.33Å; L118-L120 HydrophobicContact CD2-CD1 4.45Å; L118-L120 HydrophobicContact CD2-CD2 3.86Å; L118-L120 HydrophobicContact CD2-CG 4.06Å; L118-L120 HydrophobicContact CG-CD2 4.09Å; L118-L120 HydrophobicContact CG-CG 4.12Å; L120-V126 CarbonylContact O-C 3.54Å; L120-V126 WeakPolarHBondContact O-CA 3.45Å; L120-C127 HydrophobicContact CB-CB 4.14Å; L120-C127 HydrophobicContact CD1-CB 4.49Å; L120-C127 PolarHBondContact N-O 3.2Å; L120-C127 PolarHBondContact O-N 3.05Å
121R98.8Very high98.1Very high56 Ų5640.9 Ų40.921%0.21126%0.256CS..EExtended strand (participates in β ladder)trans-131.3137.3-178.4-61175.8-66.2-85.9-2.8110.8R105 G106 W107 T108 E119 A125 V126R105-R121 VanDerWaalsContact CA-O 3.3Å; R105-R121 WeakPolarHBondContact CA-O 3.46Å; G106-R121 PolarHBondContact N-O 2.96Å; G106-R121 PolarHBondContact O-N 2.76Å; W107-R121 PolarHBondContact O-NH2 2.9Å; W107-R121 VanDerWaalsContact O-NH2 3.1Å; T108-R121 PolarHBondContact OG1-NH1 2.8Å; T108-R121 PolarHBondContact OG1-NH2 2.82Å; E119-R121 HydrophobicContact CG-CG 4.39Å; E119-R121 IonicContact OE1-CZ 2.94Å; E119-R121 IonicContact OE1-NH1 2.78Å; E119-R121 PolarHBondContact OE1-NH1 2.82Å; R121-A125 WeakPolarHBondContact CA-O 3.08Å; R121-V126 HydrophobicContact CG-CG2 4.33Å
122A98.4Very high98.1Very high1 Ų142.8 Ų42.81%0.00826%0.261CS..EExtended strand (participates in β ladder)trans-162130.7173.400000109.8Y20 A23 L24 I102 R105 G124 A125Y20-A122 HydrophobicContact CD2-CB 3.89Å; Y20-A122 HydrophobicContact CE2-CB 3.57Å; A23-A122 HydrophobicContact CB-CB 4.32Å; A23-A122 VanDerWaalsContact CB-O 3.27Å; A23-A122 WeakPolarHBondContact CB-O 3.41Å; L24-A122 HydrophobicContact CD2-CB 3.66Å; L24-A122 HydrophobicContact CG-CB 4.1Å; I102-A122 HydrophobicContact CG2-CB 4.01Å; R105-A122 HydrophobicContact CG-CB 4.49Å; A122-G124 PolarHBondContact O-N 2.58Å; A122-G124 VanDerWaalsContact O-N 3.09Å; A122-A125 PolarHBondContact N-O 3Å; A122-A125 VanDerWaalsContact N-O 3.09Å; A122-A125 WeakPolarHBondContact O-CB 3.25Å; A122-A125 PolarHBondContact O-N 3Å
123G96.8Very high98.2Very high51 Ų5141.7 Ų41.753%0.52626%0.255SS..THydrogen-bonded Turntrans54.733.2173.500000114.4E103 A125E103-G123 PolarHBondContact O-N 2.62Å; G123-A125 PolarHBondContact O-N 2.78Å
124G95.8Very high98Very high77 Ų7743.9 Ų43.979%0.79425%0.253SS*.THydrogen-bonded Turntrans79.6-10.2-175.200000115.6A122A122-G124 PolarHBondContact O-N 2.58Å; A122-G124 VanDerWaalsContact O-N 3.09Å
125A98.4Very high98Very high18 Ų1842.2 Ų42.215%0.14925%0.245CC..EExtended strand (participates in β ladder)trans-77.5145.6171.100000111A23 R121 A122 G123A23-A125 HydrophobicContact CB-CB 3.82Å; R121-A125 WeakPolarHBondContact CA-O 3.08Å; A122-A125 PolarHBondContact N-O 3Å; A122-A125 VanDerWaalsContact N-O 3.09Å; A122-A125 WeakPolarHBondContact O-CB 3.25Å; A122-A125 PolarHBondContact O-N 3Å; G123-A125 PolarHBondContact O-N 2.78Å
126V98.8Very high98Very high53 Ų5341.2 Ų41.232%0.32124%0.242SC..EExtended strand (participates in β ladder)trans-129.4124.3178.8-175.50000109.4N16 E119 L120 R121 K128N16-V126 WeakPolarHBondContact CB-O 3.49Å; N16-V126 PolarHBondContact ND2-O 2.83Å; E119-V126 HydrophobicContact CG-CG1 3.45Å; E119-V126 VanDerWaalsContact CG-CG1 3.45Å; L120-V126 CarbonylContact O-C 3.54Å; L120-V126 WeakPolarHBondContact O-CA 3.45Å; R121-V126 HydrophobicContact CG-CG2 4.33Å; V126-K128 HydrophobicContact CG1-CG 4.43Å
127C98.8Very high98Very high0 Ų043.4 Ų43.40%026%0.256CS..EExtended strand (participates in β ladder)trans-111.6140.8171.5164.60000109.3N14 D15 Y20 E119 L120N14-C127 PolarHBondContact OD1-SG 2.99Å; N14-C127 VanDerWaalsContact OD1-SG 3.37Å; D15-C127 VanDerWaalsContact O-CA 3.27Å; D15-C127 WeakPolarHBondContact O-CA 3.5Å; D15-C127 PolarHBondContact O-SG 2.9Å; D15-C127 VanDerWaalsContact O-SG 3.33Å; Y20-C127 HydrophobicContact CG-CB 4Å; E119-C127 CarbonylContact C-O 3.42Å; E119-C127 WeakPolarHBondContact CA-O 3.24Å; L120-C127 HydrophobicContact CB-CB 4.14Å; L120-C127 HydrophobicContact CD1-CB 4.49Å; L120-C127 PolarHBondContact N-O 3.2Å; L120-C127 PolarHBondContact O-N 3.05Å
128K98.8Very high98Very high110 Ų11044.6 Ų44.648%0.47826%0.264SS..EExtended strand (participates in β ladder)trans-122.2127.7-180-66.5-174177.6-173.10110.5D15 L118 E119 V126D15-K128 PolarHBondContact N-O 2.96Å; D15-K128 PolarHBondContact O-N 2.78Å; L118-K128 WeakPolarHBondContact O-CA 3.42Å; E119-K128 HydrophobicContact CG-CG 4.34Å; E119-K128 WeakPolarHBondContact OE2-CE 3.18Å; E119-K128 IonicContact OE2-NZ 3.89Å; V126-K128 HydrophobicContact CG1-CG 4.43Å
129Q98.8Very high97.9Very high10 Ų1046.9 Ų46.95%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-121.8141.6178.2-65.7177.4-11.800109.6M11 S13 N14 L118 F131M11-Q129 HydrophobicContact CE-CB 4.4Å; M11-Q129 HydrophobicContact CE-CG 4.07Å; S13-Q129 WeakPolarHBondContact O-CA 3.44Å; N14-Q129 HydrophobicContact CB-CG 4.29Å; N14-Q129 WeakPolarHBondContact OD1-CG 3.44Å; N14-Q129 PolarHBondContact OD1-NE2 2.97Å; L118-Q129 HydrophobicContact CB-CB 4.28Å; L118-Q129 PolarHBondContact N-O 3.12Å; L118-Q129 PolarHBondContact O-N 2.68Å; Q129-F131 HydrophobicContact CB-CD2 4.44Å; Q129-F131 HydrophobicContact CB-CE2 3.51Å; Q129-F131 HydrophobicContact CB-CZ 3.85Å
130V98.8Very high97.8Very high24 Ų2447.2 Ų47.215%0.14528%0.284CS..EExtended strand (participates in β ladder)trans-125.7137.3173.4-175.40000108.4V12 S13 E115 L116V12-V130 WeakPolarHBondContact CB-O 3.4Å; V12-V130 PolarHBondContact N-O 2.89Å; S13-V130 PolarHBondContact N-O 2.85Å; S13-V130 PolarHBondContact O-N 2.94Å; S13-V130 WeakPolarHBondContact OG-CB 3.45Å; S13-V130 WeakPolarHBondContact OG-CG2 3.36Å; E115-V130 HydrophobicContact CB-CG1 4.15Å; E115-V130 HydrophobicContact CG-CG1 4.33Å; L116-V130 WeakPolarHBondContact O-CA 3.43Å
131F98.8Very high97.8Very high0 Ų049.2 Ų49.20%030%0.297CS..EExtended strand (participates in β ladder)trans-129.7147178.9-49.2-108000110.1W9 K10 M11 P39 K41 E115 L116 L118 Q129W9-F131 HydrophobicContact CB-CB 3.71Å; W9-F131 HydrophobicContact CB-CG 4.38Å; K10-F131 CarbonylContact O-C 3.53Å; K10-F131 WeakPolarHBondContact O-CA 3.4Å; K10-F131 WeakPolarHBondContact O-CB 3.39Å; M11-F131 HydrophobicContact CB-CD1 3.79Å; M11-F131 HydrophobicContact CB-CE1 3.86Å; M11-F131 HydrophobicContact CE-CE1 3.6Å; M11-F131 HydrophobicContact CE-CZ 3.63Å; M11-F131 HydrophobicContact CG-CE1 4.36Å; P39-F131 WeakPolarHBondContact O-CE1 3.42Å; K41-F131 HydrophobicContact CD-CE1 4.16Å; K41-F131 HydrophobicContact CD-CE2 4.14Å; K41-F131 HydrophobicContact CD-CZ 3.97Å; K41-F131 VanDerWaalsContact CE-CZ 3.41Å; K41-F131 HydrophobicContact CG-CD1 4.35Å; K41-F131 HydrophobicContact CG-CE1 3.94Å; K41-F131 HydrophobicContact CG-CZ 4.21Å; E115-F131 CarbonylContact C-O 3.53Å; E115-F131 VanDerWaalsContact CA-O 3.24Å; E115-F131 WeakPolarHBondContact CA-O 3.41Å; L116-F131 HydrophobicContact CB-CB 4.23Å; L116-F131 HydrophobicContact CD2-CD2 4.25Å; L116-F131 HydrophobicContact CG-CD2 4.5Å; L116-F131 PolarHBondContact N-O 2.87Å; L116-F131 WeakPolarHBondContact O-CD2 3.27Å; L116-F131 PolarHBondContact O-N 3.05Å; L118-F131 HydrophobicContact CB-CE2 4.18Å; Q129-F131 HydrophobicContact CB-CD2 4.44Å; Q129-F131 HydrophobicContact CB-CE2 3.51Å; Q129-F131 HydrophobicContact CB-CZ 3.85Å
132K98.4Very high97.7Very high75 Ų7548.7 Ų48.733%0.32630%0.304SS..EExtended strand (participates in β ladder)trans-101.5135.5174.4-93.3-80.2-170.7-173.10110.8W9 K10 V12 D114 E115W9-K132 CarbonylContact C-O 3.57Å; W9-K132 WeakPolarHBondContact CA-O 3.35Å; K10-K132 PolarHBondContact N-O 3.27Å; K10-K132 PolarHBondContact O-N 3.01Å; V12-K132 HydrophobicContact CG2-CB 3.89Å; V12-K132 HydrophobicContact CG2-CG 3.68Å; D114-K132 IonicContact OD1-NZ 2.68Å; D114-K132 PolarHBondContact OD1-NZ 2.93Å; D114-K132 WeakPolarHBondContact OD2-CD 3.32Å; D114-K132 IonicContact OD2-NZ 3.96Å; D114-K132 PolarHBondContact OD2-NZ 3.31Å; E115-K132 HydrophobicContact CG-CD 4.32Å
133K97.7Very high97.6Very high90 Ų9052.7 Ų52.739%0.39133%0.328SS..EExtended strand (participates in β ladder)trans-63.9141.5171.9-153.6168.5-169.1164.50110.7N6 W9 D114N6-K133 WeakPolarHBondContact O-CE 3.31Å; N6-K133 PolarHBondContact O-NZ 2.64Å; W9-K133 HydrophobicContact CD2-CB 4.41Å; W9-K133 HydrophobicContact CD2-CG 4.33Å; W9-K133 HydrophobicContact CE3-CB 3.7Å; W9-K133 HydrophobicContact CE3-CG 4.08Å; W9-K133 HydrophobicContact CH2-CB 4.07Å; W9-K133 HydrophobicContact CH2-CD 3.73Å; W9-K133 HydrophobicContact CH2-CG 4.01Å; W9-K133 HydrophobicContact CZ2-CD 3.99Å; W9-K133 HydrophobicContact CZ2-CG 4.23Å; W9-K133 HydrophobicContact CZ3-CB 3.52Å; W9-K133 HydrophobicContact CZ3-CD 4.11Å; W9-K133 HydrophobicContact CZ3-CG 3.93Å; D114-K133 PolarHBondContact O-N 3.03Å
134T91.8Very high97.7Very high124 Ų12452.8 Ų52.876%0.76131%0.31SS*.  trans-117.6017254.50000112.6Y8 K10Y8-T134 WeakPolarHBondContact CD1-OG1 3.45Å; Y8-T134 PolarHBondContact O-N 3.11Å; Y8-T134 PolarHBondContact O-OG1 2.92Å; K10-T134 HydrophobicContact CB-CG2 4.41Å; K10-T134 HydrophobicContact CD-CG2 3.7Å; K10-T134 HydrophobicContact CG-CG2 3.79Å

Retrieved 134 of 134 residues in 528.8 ms (Link to these results)

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