A0A060X7U6_ONCMY Loading...

Retinol binding protein 7b, cellular

AlphaFold DB (A0A674ESH6), UniProt , Accession A0A060X7U6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 135 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M55.8Low90.9Very high235 Ų23558.8 Ų58.8100%1.15833%0.329SS*.  01400-62.9-175.1-149.400106.7
2P75.6Confident91.5Very high70 Ų7061 Ų6146%0.45535%0.345SS..  trans-57152.3173.523-30.4000110.3W89P2-W89 HydrophobicContact CB-CH2 4.06Å; P2-W89 HydrophobicContact CB-CZ2 3.54Å
3I90.3Very high92Very high58 Ų5858.8 Ų58.830%0.29734%0.336SS..  trans-59.3139.5174.8-68.6-167.2000108.9Y5 Q45 D92 I111I3-Y5 HydrophobicContact CB-CD2 4.4Å; I3-Y5 HydrophobicContact CB-CE2 4.03Å; I3-Y5 HydrophobicContact CG2-CD2 4.01Å; I3-Y5 HydrophobicContact CG2-CE2 3.85Å; I3-Q45 PolarHBondContact O-NE2 2.74Å; I3-Q45 PolarHBondContact O-OE1 2.87Å; I3-D92 HydrophobicContact CD1-CB 3.62Å; I3-D92 HydrophobicContact CG1-CB 4.23Å; I3-I111 HydrophobicContact CG2-CD1 3.98Å
4D94.4Very high92.4Very high96 Ų9658 Ų5851%0.51333%0.33SS..  trans-86.8111.9173.8-17915.9000110.2S6D4-S6 VanDerWaalsContact C-N 3.32Å; D4-S6 WeakPolarHBondContact OD1-CB 3.41Å; D4-S6 PolarHBondContact OD1-N 2.87Å; D4-S6 PolarHBondContact OD1-OG 3.02Å
5Y96.9Very high92.8Very high0 Ų060.8 Ų60.80%034%0.339CS..  trans-86.8-4176.9-78.3-109000113I3 G7 W9 I43 W89 D92 L94 H109 W110 I111 L116I3-Y5 HydrophobicContact CB-CD2 4.4Å; I3-Y5 HydrophobicContact CB-CE2 4.03Å; I3-Y5 HydrophobicContact CG2-CD2 4.01Å; I3-Y5 HydrophobicContact CG2-CE2 3.85Å; Y5-G7 PolarHBondContact O-N 3.29Å; Y5-W9 PolarHBondContact O-NE1 2.85Å; Y5-I43 HydrophobicContact CD1-CD1 4.5Å; Y5-I43 WeakPolarHBondContact O-CB 3.32Å; Y5-W89 AromaticContact CD2-CH2 3.94Å; Y5-W89 HydrophobicContact CD2-CH2 3.94Å; Y5-W89 HydrophobicContact CD2-CZ3 4.44Å; Y5-W89 AromaticContact CE2-CH2 3.59Å; Y5-W89 HydrophobicContact CE2-CH2 3.59Å; Y5-W89 AromaticContact CE2-CZ3 3.64Å; Y5-W89 HydrophobicContact CE2-CZ3 3.64Å; Y5-D92 PolarHBondContact OH-O 2.75Å; Y5-L94 HydrophobicContact CD1-CD1 4.16Å; Y5-L94 HydrophobicContact CD2-CD1 4.19Å; Y5-L94 HydrophobicContact CE1-CD1 4.13Å; Y5-L94 HydrophobicContact CE1-CG 4.43Å; Y5-L94 HydrophobicContact CE2-CD1 4.18Å; Y5-L94 HydrophobicContact CE2-CG 4.13Å; Y5-L94 HydrophobicContact CG-CD1 4.17Å; Y5-L94 PolarHBondContact OH-N 2.98Å; Y5-H109 HydrophobicContact CE1-CB 3.89Å; Y5-H109 PolarHBondContact OH-O 2.91Å; Y5-W110 WeakPolarHBondContact OH-CA 3.31Å; Y5-I111 HydrophobicContact CD1-CD1 3.65Å; Y5-I111 HydrophobicContact CD1-CG1 4.01Å; Y5-I111 HydrophobicContact CD2-CD1 4.13Å; Y5-I111 HydrophobicContact CE1-CD1 3.96Å; Y5-I111 HydrophobicContact CE1-CG1 3.88Å; Y5-I111 HydrophobicContact CE2-CD1 4.39Å; Y5-I111 HydrophobicContact CG-CD1 3.77Å; Y5-L116 HydrophobicContact CD1-CD1 3.73Å; Y5-L116 HydrophobicContact CE1-CD1 3.74Å
6S97.4Very high93.1Very high32 Ų3265.3 Ų65.322%0.22436%0.356CS..  trans-58136.6-174-57.50000112.1D4 I43 Q45 K133D4-S6 VanDerWaalsContact C-N 3.32Å; D4-S6 WeakPolarHBondContact OD1-CB 3.41Å; D4-S6 PolarHBondContact OD1-N 2.87Å; D4-S6 PolarHBondContact OD1-OG 3.02Å; S6-I43 WeakPolarHBondContact CA-O 3.39Å; S6-Q45 WeakPolarHBondContact OG-CB 3.43Å; S6-Q45 PolarHBondContact OG-N 2.88Å; S6-K133 WeakPolarHBondContact O-CE 3.35Å; S6-K133 PolarHBondContact O-NZ 3.34Å
7G97.3Very high93.4Very high23 Ų2363.6 Ų63.624%0.23735%0.345CS..EExtended strand (participates in β ladder)trans142.4-178.4174.900000113.6Y5 I43Y5-G7 PolarHBondContact O-N 3.29Å; G7-I43 PolarHBondContact N-O 3.3Å; G7-I43 PolarHBondContact O-N 2.71Å
8T98.3Very high93.6Very high46 Ų4663.6 Ų63.628%0.28234%0.342SS..EExtended strand (participates in β ladder)trans-102135.7173.5-53.90000108.6Q40 K41 V42 K133 S134T8-Q40 HydrophobicContact CG2-CG 3.5Å; T8-K41 CarbonylContact C-O 3.57Å; T8-K41 WeakPolarHBondContact CA-O 3.34Å; T8-V42 HydrophobicContact CG2-CG2 4.2Å; T8-K133 WeakPolarHBondContact O-CA 3.32Å; T8-S134 WeakPolarHBondContact CB-OG 3.5Å; T8-S134 VanDerWaalsContact CG2-OG 3.3Å; T8-S134 WeakPolarHBondContact CG2-OG 3.47Å; T8-S134 PolarHBondContact O-N 3.15Å; T8-S134 PolarHBondContact O-OG 3.33Å
9W98.5Very high93.9Very high4 Ų461.6 Ų61.62%0.01534%0.339CS..EExtended strand (participates in β ladder)trans-133.3121.1-172.7-53.589.7000109.4Y5 Q40 K41 I111 L116 Y131 K132 K133Y5-W9 PolarHBondContact O-NE1 2.85Å; W9-Q40 CarbonylContact O-C 3.57Å; W9-Q40 WeakPolarHBondContact O-CA 3.37Å; W9-K41 HydrophobicContact CB-CB 4.24Å; W9-K41 PolarHBondContact N-O 2.82Å; W9-K41 PolarHBondContact O-N 2.83Å; W9-I111 HydrophobicContact CH2-CD1 3.89Å; W9-I111 HydrophobicContact CH2-CG1 4.22Å; W9-I111 HydrophobicContact CZ2-CD1 3.89Å; W9-L116 HydrophobicContact CB-CD2 4.11Å; W9-L116 HydrophobicContact CD2-CB 3.68Å; W9-L116 HydrophobicContact CD2-CD2 3.97Å; W9-L116 HydrophobicContact CD2-CG 4.44Å; W9-L116 HydrophobicContact CE3-CB 3.4Å; W9-L116 VanDerWaalsContact CE3-CB 3.4Å; W9-L116 HydrophobicContact CG-CB 4.25Å; W9-L116 HydrophobicContact CG-CD2 3.75Å; W9-L116 HydrophobicContact CH2-CB 4.27Å; W9-L116 HydrophobicContact CZ3-CB 3.72Å; W9-Y131 HydrophobicContact CB-CD1 4.36Å; W9-Y131 HydrophobicContact CB-CG 4.36Å; W9-K132 CarbonylContact C-O 3.54Å; W9-K132 WeakPolarHBondContact CA-O 3.47Å; W9-K133 HydrophobicContact CD2-CB 4.38Å; W9-K133 HydrophobicContact CD2-CG 4.24Å; W9-K133 HydrophobicContact CE3-CB 3.7Å; W9-K133 HydrophobicContact CE3-CG 4.02Å; W9-K133 HydrophobicContact CH2-CB 4.11Å; W9-K133 HydrophobicContact CH2-CD 3.76Å; W9-K133 HydrophobicContact CH2-CG 4Å; W9-K133 HydrophobicContact CZ2-CD 4.02Å; W9-K133 HydrophobicContact CZ2-CG 4.21Å; W9-K133 HydrophobicContact CZ3-CB 3.54Å; W9-K133 HydrophobicContact CZ3-CD 4.11Å; W9-K133 HydrophobicContact CZ3-CG 3.89Å
10D98.1Very high94.1Very high64 Ų6459.4 Ų59.434%0.34233%0.325SS..EExtended strand (participates in β ladder)trans-100.4128.9-178-64.6-58.7000110.5T12 Q40 Y131 K132 S134D10-T12 PolarHBondContact O-N 2.91Å; D10-Q40 WeakPolarHBondContact OD1-CG 3.12Å; D10-Q40 PolarHBondContact OD1-NE2 2.92Å; D10-Y131 CarbonylContact O-C 3.52Å; D10-Y131 VanDerWaalsContact O-CA 3.23Å; D10-Y131 WeakPolarHBondContact O-CA 3.31Å; D10-K132 PolarHBondContact N-O 3.34Å; D10-K132 PolarHBondContact O-N 2.65Å; D10-S134 PolarHBondContact OD2-OG 3.19Å
11M97.9Very high94.3Very high19 Ų1956.7 Ų56.79%0.09431%0.31CS..EExtended strand (participates in β ladder)trans-64.2129.6-178.2-175.1-178.9-77.900111.6S13 N14 P39 Q129 Y131M11-S13 WeakPolarHBondContact CG-O 3.47Å; M11-N14 HydrophobicContact CE-CB 4.43Å; M11-N14 HydrophobicContact SD-CB 3.64Å; M11-P39 VanDerWaalsContact CB-O 3.29Å; M11-P39 WeakPolarHBondContact CB-O 3.47Å; M11-P39 HydrophobicContact CE-CB 4.39Å; M11-P39 VanDerWaalsContact CE-CD 3.41Å; M11-P39 HydrophobicContact CE-CG 3.6Å; M11-P39 PolarHBondContact N-O 2.99Å; M11-P39 WeakPolarHBondContact SD-CD 3.47Å; M11-P39 HydrophobicContact SD-CG 4.28Å; M11-Q129 HydrophobicContact CE-CB 4.28Å; M11-Q129 VanDerWaalsContact CE-CD 3.45Å; M11-Q129 HydrophobicContact CE-CG 3.92Å; M11-Y131 VanDerWaalsContact CA-CD1 3.46Å; M11-Y131 HydrophobicContact CB-CD1 3.77Å; M11-Y131 HydrophobicContact CB-CE1 3.59Å; M11-Y131 HydrophobicContact CE-CE1 3.93Å; M11-Y131 HydrophobicContact CE-CE2 4.18Å; M11-Y131 VanDerWaalsContact CE-CZ 3.44Å; M11-Y131 WeakPolarHBondContact CE-OH 3.34Å; M11-Y131 HydrophobicContact CG-CE1 4.24Å; M11-Y131 VanDerWaalsContact N-CD1 3.33Å
12T97.6Very high96.3Very high85 Ų8549 Ų4952%0.52128%0.276SS..EExtended strand (participates in β ladder)trans-112-29.7175.855.90000112.6D10 I130 K132D10-T12 PolarHBondContact O-N 2.91Å; T12-I130 PolarHBondContact N-O 3.26Å; T12-I130 PolarHBondContact OG1-O 3.07Å; T12-K132 HydrophobicContact CG2-CB 3.8Å
13S97.8Very high97.3Very high33 Ų3346 Ų4623%0.23126%0.258CS..EExtended strand (participates in β ladder)trans-140.1148.7178.5-171.70000112.4M11 Q129 I130M11-S13 WeakPolarHBondContact CG-O 3.47Å; S13-Q129 WeakPolarHBondContact O-CA 3.44Å; S13-I130 PolarHBondContact N-O 3.29Å; S13-I130 PolarHBondContact O-N 3.42Å
14N97.9Very high97.7Very high47 Ų4743.6 Ų43.625%0.25125%0.245SC..EExtended strand (participates in β ladder)trans-151.397.3177.7-166.610.1000111M11 F17 C127 Q129M11-N14 HydrophobicContact CE-CB 4.43Å; M11-N14 HydrophobicContact SD-CB 3.64Å; N14-F17 WeakPolarHBondContact ND2-CD1 3.33Å; N14-F17 WeakPolarHBondContact OD1-CB 3.27Å; N14-C127 PolarHBondContact OD1-SG 2.78Å; N14-Q129 HydrophobicContact CB-CG 4.35Å; N14-Q129 WeakPolarHBondContact OD1-CG 3.47Å; N14-Q129 PolarHBondContact OD1-NE2 2.88Å
15E98.2Very high97.8Very high100 Ų10041.7 Ų41.747%0.46725%0.249SC..EExtended strand (participates in β ladder)trans-103.5140.1-176-61.7-176.8176.900111.1F17 C127 K128E15-F17 PolarHBondContact O-N 3.49Å; E15-F17 VanDerWaalsContact O-N 3.12Å; E15-C127 WeakPolarHBondContact O-CA 3.33Å; E15-C127 PolarHBondContact O-SG 3.02Å; E15-K128 HydrophobicContact CB-CB 4.46Å; E15-K128 PolarHBondContact N-O 3.48Å; E15-K128 PolarHBondContact O-N 3.27Å
16H97.9Very high97.7Very high133 Ų13342.9 Ų42.962%0.61626%0.255SS*.SBendtrans60.416.4176-52-60.7000116.5E18 G19 Y20 V126H16-E18 VanDerWaalsContact C-N 3.32Å; H16-E18 PolarHBondContact O-N 2.86Å; H16-G19 PolarHBondContact O-N 2.88Å; H16-G19 VanDerWaalsContact O-N 3.17Å; H16-Y20 PolarHBondContact O-N 3.42Å; H16-V126 VanDerWaalsContact CB-O 3.26Å; H16-V126 WeakPolarHBondContact CB-O 3.03Å
17F97.8Very high97.7Very high36 Ų3645.5 Ų45.516%0.15827%0.266CS..Hα-helixtrans-60.4-37.1-179.3-168.2-136.4000114N14 E15 G19 Y20 M21 A34N14-F17 WeakPolarHBondContact ND2-CD1 3.33Å; N14-F17 WeakPolarHBondContact OD1-CB 3.27Å; E15-F17 PolarHBondContact O-N 3.49Å; E15-F17 VanDerWaalsContact O-N 3.12Å; F17-G19 VanDerWaalsContact C-N 3.33Å; F17-G19 PolarHBondContact O-N 2.87Å; F17-Y20 HydrophobicContact CD2-CD1 4.06Å; F17-Y20 HydrophobicContact CE2-CD1 4.02Å; F17-Y20 HydrophobicContact CE2-CE1 4.45Å; F17-Y20 PolarHBondContact O-N 2.86Å; F17-M21 HydrophobicContact CD1-CE 3.52Å; F17-M21 HydrophobicContact CD1-CG 4.46Å; F17-M21 HydrophobicContact CD1-SD 4Å; F17-M21 HydrophobicContact CD2-CG 4.14Å; F17-M21 HydrophobicContact CE1-CE 3.65Å; F17-M21 HydrophobicContact CE1-CG 4.21Å; F17-M21 HydrophobicContact CE1-SD 3.52Å; F17-M21 VanDerWaalsContact CE1-SD 3.52Å; F17-M21 HydrophobicContact CE2-CG 3.85Å; F17-M21 HydrophobicContact CE2-SD 4.22Å; F17-M21 HydrophobicContact CG-CE 4.07Å; F17-M21 HydrophobicContact CG-CG 4.43Å; F17-M21 HydrophobicContact CZ-CE 4.29Å; F17-M21 HydrophobicContact CZ-CG 3.89Å; F17-M21 HydrophobicContact CZ-SD 3.63Å; F17-M21 WeakPolarHBondContact O-CG 3.28Å; F17-M21 PolarHBondContact O-N 2.88Å; F17-A34 HydrophobicContact CE1-CB 3.96Å
18E97.6Very high97.6Very high63 Ų6350.4 Ų50.429%0.29428%0.281SS..Hα-helixtrans-55.3-48.1174.9-179.464.7-165.200111.6H16 M21 V22 R31 N35H16-E18 VanDerWaalsContact C-N 3.32Å; H16-E18 PolarHBondContact O-N 2.86Å; E18-M21 PolarHBondContact O-N 2.86Å; E18-V22 WeakPolarHBondContact O-CG2 3.37Å; E18-V22 PolarHBondContact O-N 2.84Å; E18-R31 IonicContact OE1-CZ 3.36Å; E18-R31 IonicContact OE1-NE 2.78Å; E18-R31 PolarHBondContact OE1-NE 2.67Å; E18-R31 IonicContact OE1-NH2 2.75Å; E18-R31 PolarHBondContact OE1-NH2 2.67Å; E18-R31 IonicContact OE2-NE 3.01Å; E18-N35 PolarHBondContact OE2-ND2 2.85Å
19G98.1Very high97.4Very high27 Ų2751 Ų5128%0.27829%0.291SS..Hα-helixtrans-64-43.2-179.700000112H16 F17 V22 A23H16-G19 PolarHBondContact O-N 2.88Å; H16-G19 VanDerWaalsContact O-N 3.17Å; F17-G19 VanDerWaalsContact C-N 3.33Å; F17-G19 PolarHBondContact O-N 2.87Å; G19-V22 PolarHBondContact O-N 2.83Å; G19-A23 PolarHBondContact O-N 2.83Å
20Y98.5Very high97.2Very high16 Ų1652.6 Ų52.66%0.06330%0.301CS..Hα-helixtrans-59.8-45.9175173.3-101.6000112.2H16 F17 V22 A23 L24 L120 C122 C127H16-Y20 PolarHBondContact O-N 3.42Å; F17-Y20 HydrophobicContact CD2-CD1 4.06Å; F17-Y20 HydrophobicContact CE2-CD1 4.02Å; F17-Y20 HydrophobicContact CE2-CE1 4.45Å; F17-Y20 PolarHBondContact O-N 2.86Å; Y20-V22 VanDerWaalsContact C-N 3.35Å; Y20-V22 PolarHBondContact O-N 2.91Å; Y20-A23 WeakPolarHBondContact O-CB 3.37Å; Y20-A23 PolarHBondContact O-N 3.16Å; Y20-L24 HydrophobicContact CD1-CD1 4Å; Y20-L24 HydrophobicContact CE1-CD1 3.35Å; Y20-L24 HydrophobicContact CE1-CG 4.26Å; Y20-L24 HydrophobicContact CE2-CD1 4.35Å; Y20-L24 PolarHBondContact O-N 3.1Å; Y20-L120 HydrophobicContact CD1-CD1 4.37Å; Y20-L120 HydrophobicContact CD2-CB 4.11Å; Y20-L120 HydrophobicContact CE1-CB 4.29Å; Y20-L120 HydrophobicContact CE1-CD1 4.1Å; Y20-L120 HydrophobicContact CE2-CB 3.83Å; Y20-L120 HydrophobicContact CG-CB 4.46Å; Y20-C122 HydrophobicContact CD2-CB 3.74Å; Y20-C122 HydrophobicContact CE2-CB 3.52Å; Y20-C127 HydrophobicContact CG-CB 4.11Å
21M97.8Very high97.1Very high3 Ų351.2 Ų51.22%0.01529%0.291CS..Hα-helixtrans-66.9-33.9178-70.8-168.2-71.100113F17 E18 L24 G25 I26 R31 A34 N35F17-M21 HydrophobicContact CD1-CE 3.52Å; F17-M21 HydrophobicContact CD1-CG 4.46Å; F17-M21 HydrophobicContact CD1-SD 4Å; F17-M21 HydrophobicContact CD2-CG 4.14Å; F17-M21 HydrophobicContact CE1-CE 3.65Å; F17-M21 HydrophobicContact CE1-CG 4.21Å; F17-M21 HydrophobicContact CE1-SD 3.52Å; F17-M21 VanDerWaalsContact CE1-SD 3.52Å; F17-M21 HydrophobicContact CE2-CG 3.85Å; F17-M21 HydrophobicContact CE2-SD 4.22Å; F17-M21 HydrophobicContact CG-CE 4.07Å; F17-M21 HydrophobicContact CG-CG 4.43Å; F17-M21 HydrophobicContact CZ-CE 4.29Å; F17-M21 HydrophobicContact CZ-CG 3.89Å; F17-M21 HydrophobicContact CZ-SD 3.63Å; F17-M21 WeakPolarHBondContact O-CG 3.28Å; F17-M21 PolarHBondContact O-N 2.88Å; E18-M21 PolarHBondContact O-N 2.86Å; M21-L24 PolarHBondContact O-N 3.13Å; M21-G25 PolarHBondContact O-N 2.76Å; M21-I26 HydrophobicContact CB-CB 4.26Å; M21-I26 HydrophobicContact CB-CD1 4.03Å; M21-I26 HydrophobicContact CG-CD1 3.93Å; M21-I26 WeakPolarHBondContact O-CB 3.05Å; M21-I26 PolarHBondContact O-N 3.05Å; M21-I26 HydrophobicContact SD-CD1 4.38Å; M21-R31 VanDerWaalsContact CB-CD 3.44Å; M21-R31 HydrophobicContact CB-CG 3.7Å; M21-R31 HydrophobicContact CE-CB 3.73Å; M21-R31 HydrophobicContact CE-CG 3.92Å; M21-R31 HydrophobicContact CG-CG 4.46Å; M21-R31 HydrophobicContact SD-CB 4.23Å; M21-R31 HydrophobicContact SD-CG 3.93Å; M21-A34 HydrophobicContact CE-CB 4.18Å; M21-A34 HydrophobicContact SD-CB 3.69Å; M21-N35 VanDerWaalsContact CE-ND2 3.28Å; M21-N35 WeakPolarHBondContact CE-ND2 3.41Å
22V98.1Very high97Very high74 Ų7456 Ų5645%0.44831%0.311SS..Hα-helixtrans-63-45.3171.21690000110.6E18 G19 Y20 L24 G25 R31E18-V22 WeakPolarHBondContact O-CG2 3.37Å; E18-V22 PolarHBondContact O-N 2.84Å; G19-V22 PolarHBondContact O-N 2.83Å; Y20-V22 VanDerWaalsContact C-N 3.35Å; Y20-V22 PolarHBondContact O-N 2.91Å; V22-L24 PolarHBondContact O-N 2.9Å; V22-G25 WeakPolarHBondContact O-CA 3.36Å; V22-G25 PolarHBondContact O-N 2.85Å; V22-R31 VanDerWaalsContact CG2-CZ 3.5Å
23A98Very high96.9Very high8 Ų855 Ų557%0.06630%0.302CS..Hα-helixtrans-61.2-33.817600000111.8G19 Y20 G25 K102 C122 K125G19-A23 PolarHBondContact O-N 2.83Å; Y20-A23 WeakPolarHBondContact O-CB 3.37Å; Y20-A23 PolarHBondContact O-N 3.16Å; A23-G25 PolarHBondContact O-N 3.04Å; A23-K102 WeakPolarHBondContact O-CD 3.29Å; A23-K102 WeakPolarHBondContact O-CE 3.29Å; A23-K102 PolarHBondContact O-NZ 3Å; A23-C122 HydrophobicContact CB-CB 4.31Å; A23-K125 HydrophobicContact CB-CB 4.24Å; A23-K125 HydrophobicContact CB-CG 3.78Å
24L97.5Very high96.8Very high6 Ų654.2 Ų54.23%0.03130%0.298CS..THydrogen-bonded Turntrans-72.6-7.8171.2-70.2176.8000114.2Y20 M21 V22 I26 D79 R81 C122Y20-L24 HydrophobicContact CD1-CD1 4Å; Y20-L24 HydrophobicContact CE1-CD1 3.35Å; Y20-L24 HydrophobicContact CE1-CG 4.26Å; Y20-L24 HydrophobicContact CE2-CD1 4.35Å; Y20-L24 PolarHBondContact O-N 3.1Å; M21-L24 PolarHBondContact O-N 3.13Å; V22-L24 PolarHBondContact O-N 2.9Å; L24-I26 VanDerWaalsContact C-N 3.33Å; L24-I26 HydrophobicContact CB-CD1 4.24Å; L24-I26 HydrophobicContact CB-CG1 4.02Å; L24-I26 HydrophobicContact CD1-CD1 4.19Å; L24-D79 HydrophobicContact CB-CB 4.41Å; L24-D79 HydrophobicContact CD1-CB 4.44Å; L24-R81 VanDerWaalsContact O-CZ 3.27Å; L24-R81 PolarHBondContact O-NH1 2.96Å; L24-R81 PolarHBondContact O-NH2 2.97Å; L24-C122 HydrophobicContact CD2-CB 4.27Å
25G96.3Very high96.6Very high57 Ų5755 Ų5559%0.58830%0.302SS*.THydrogen-bonded Turntrans7224.7-177.500000113.9M21 V22 A23M21-G25 PolarHBondContact O-N 2.76Å; V22-G25 WeakPolarHBondContact O-CA 3.36Å; V22-G25 PolarHBondContact O-N 2.85Å; A23-G25 PolarHBondContact O-N 3.04Å
26I96.3Very high96.4Very high25 Ų2557.2 Ų57.213%0.12831%0.314CS..  trans-71.9136.8175.4-60.8179.3000109M21 L24 T30 R31 D79M21-I26 HydrophobicContact CB-CB 4.26Å; M21-I26 HydrophobicContact CB-CD1 4.03Å; M21-I26 HydrophobicContact CG-CD1 3.93Å; M21-I26 WeakPolarHBondContact O-CB 3.05Å; M21-I26 PolarHBondContact O-N 3.05Å; M21-I26 HydrophobicContact SD-CD1 4.38Å; L24-I26 VanDerWaalsContact C-N 3.33Å; L24-I26 HydrophobicContact CB-CD1 4.24Å; L24-I26 HydrophobicContact CB-CG1 4.02Å; L24-I26 HydrophobicContact CD1-CD1 4.19Å; I26-T30 HydrophobicContact CG2-CG2 3.56Å; I26-R31 HydrophobicContact CB-CG 3.98Å; I26-R31 HydrophobicContact CG2-CG 3.69Å; I26-R31 PolarHBondContact O-NH1 2.84Å; I26-D79 HydrophobicContact CD1-CB 4.34Å; I26-D79 HydrophobicContact CG1-CB 4.25Å
27D96.1Very high96.2Very high87 Ų8752.2 Ų52.247%0.46529%0.292SS..  trans-67155.4-17873.189000113.1A29 T30 R31D27-A29 VanDerWaalsContact C-N 3.31Å; D27-A29 PolarHBondContact O-N 2.9Å; D27-A29 WeakPolarHBondContact OD1-CB 3.33Å; D27-A29 PolarHBondContact OD1-N 3.44Å; D27-A29 VanDerWaalsContact OD1-N 3.07Å; D27-T30 PolarHBondContact O-N 2.78Å; D27-T30 PolarHBondContact OD1-N 3.1Å; D27-T30 PolarHBondContact OD1-OG1 3.28Å; D27-T30 VanDerWaalsContact OD2-CB 3.23Å; D27-T30 WeakPolarHBondContact OD2-CB 3.47Å; D27-T30 PolarHBondContact OD2-OG1 3.07Å; D27-R31 VanDerWaalsContact O-CG 3.31Å; D27-R31 WeakPolarHBondContact O-CG 3.38Å; D27-R31 PolarHBondContact O-N 2.97Å
28F94.7Very high96Very high125 Ų12558.9 Ų58.955%0.54832%0.321SS..Hα-helixtrans-58.6-38.2-173.4178.1-103.6000113.9R31 K32F28-R31 PolarHBondContact O-N 2.84Å; F28-K32 HydrophobicContact CD1-CG 4.41Å; F28-K32 HydrophobicContact CE1-CG 4.04Å; F28-K32 HydrophobicContact CE2-CG 4.28Å; F28-K32 HydrophobicContact CZ-CD 4.26Å; F28-K32 HydrophobicContact CZ-CG 3.99Å; F28-K32 WeakPolarHBondContact O-CG 3.4Å; F28-K32 PolarHBondContact O-N 2.69Å
29A95.2Very high95.9Very high59 Ų5956.7 Ų56.749%0.48831%0.312SS..Hα-helixtrans-69-45.5-178.200000110.8D27 R31 K32 I33D27-A29 VanDerWaalsContact C-N 3.31Å; D27-A29 PolarHBondContact O-N 2.9Å; D27-A29 WeakPolarHBondContact OD1-CB 3.33Å; D27-A29 PolarHBondContact OD1-N 3.44Å; D27-A29 VanDerWaalsContact OD1-N 3.07Å; A29-R31 VanDerWaalsContact C-N 3.31Å; A29-R31 PolarHBondContact O-N 2.91Å; A29-K32 PolarHBondContact O-N 3.39Å; A29-I33 PolarHBondContact O-N 3.03Å
30T94.5Very high95.9Very high38 Ų3858.6 Ų58.623%0.23331%0.314CS..Hα-helixtrans-59.7-42.7174.9-61.50000111.2I26 D27 K32 I33 A34I26-T30 HydrophobicContact CG2-CG2 3.56Å; D27-T30 PolarHBondContact O-N 2.78Å; D27-T30 PolarHBondContact OD1-N 3.1Å; D27-T30 PolarHBondContact OD1-OG1 3.28Å; D27-T30 VanDerWaalsContact OD2-CB 3.23Å; D27-T30 WeakPolarHBondContact OD2-CB 3.47Å; D27-T30 PolarHBondContact OD2-OG1 3.07Å; T30-K32 PolarHBondContact O-N 3.41Å; T30-I33 PolarHBondContact O-N 2.92Å; T30-A34 WeakPolarHBondContact O-CB 3.27Å; T30-A34 PolarHBondContact O-N 2.86Å
31R96.1Very high95.9Very high34 Ų3458.5 Ų58.513%0.12831%0.314CS..Hα-helixtrans-62.7-42177.4-65.2-164.9-43-98.39.1112.7E18 M21 V22 I26 D27 F28 A29 I33 A34 N35E18-R31 IonicContact OE1-CZ 3.36Å; E18-R31 IonicContact OE1-NE 2.78Å; E18-R31 PolarHBondContact OE1-NE 2.67Å; E18-R31 IonicContact OE1-NH2 2.75Å; E18-R31 PolarHBondContact OE1-NH2 2.67Å; E18-R31 IonicContact OE2-NE 3.01Å; M21-R31 VanDerWaalsContact CB-CD 3.44Å; M21-R31 HydrophobicContact CB-CG 3.7Å; M21-R31 HydrophobicContact CE-CB 3.73Å; M21-R31 HydrophobicContact CE-CG 3.92Å; M21-R31 HydrophobicContact CG-CG 4.46Å; M21-R31 HydrophobicContact SD-CB 4.23Å; M21-R31 HydrophobicContact SD-CG 3.93Å; V22-R31 VanDerWaalsContact CG2-CZ 3.5Å; I26-R31 HydrophobicContact CB-CG 3.98Å; I26-R31 HydrophobicContact CG2-CG 3.69Å; I26-R31 PolarHBondContact O-NH1 2.84Å; D27-R31 VanDerWaalsContact O-CG 3.31Å; D27-R31 WeakPolarHBondContact O-CG 3.38Å; D27-R31 PolarHBondContact O-N 2.97Å; F28-R31 PolarHBondContact O-N 2.84Å; A29-R31 VanDerWaalsContact C-N 3.31Å; A29-R31 PolarHBondContact O-N 2.91Å; R31-I33 VanDerWaalsContact C-N 3.33Å; R31-I33 PolarHBondContact O-N 2.82Å; R31-A34 PolarHBondContact O-N 3.44Å; R31-N35 PolarHBondContact O-N 2.92Å; R31-N35 PolarHBondContact O-ND2 2.84Å
32K95.5Very high95.9Very high119 Ų11959.7 Ų59.752%0.51732%0.321SS..Hα-helixtrans-58.9-44.7176.7-78.6-68.2-174.5-176.50111.9F28 A29 T30 M36F28-K32 HydrophobicContact CD1-CG 4.41Å; F28-K32 HydrophobicContact CE1-CG 4.04Å; F28-K32 HydrophobicContact CE2-CG 4.28Å; F28-K32 HydrophobicContact CZ-CD 4.26Å; F28-K32 HydrophobicContact CZ-CG 3.99Å; F28-K32 WeakPolarHBondContact O-CG 3.4Å; F28-K32 PolarHBondContact O-N 2.69Å; A29-K32 PolarHBondContact O-N 3.39Å; T30-K32 PolarHBondContact O-N 3.41Å; K32-M36 WeakPolarHBondContact O-CE 3.36Å
33I95.2Very high95.9Very high64 Ų6456.4 Ų56.433%0.32830%0.301SS..Hα-helixtrans-63.6-50.8176.1-63.8168.6000110A29 T30 R31 N35 M36 L37 F58A29-I33 PolarHBondContact O-N 3.03Å; T30-I33 PolarHBondContact O-N 2.92Å; R31-I33 VanDerWaalsContact C-N 3.33Å; R31-I33 PolarHBondContact O-N 2.82Å; I33-N35 VanDerWaalsContact C-N 3.33Å; I33-N35 PolarHBondContact O-N 2.82Å; I33-M36 PolarHBondContact O-N 2.79Å; I33-L37 WeakPolarHBondContact O-CG 3.4Å; I33-F58 HydrophobicContact CD1-CZ 4.5Å; I33-F58 HydrophobicContact CG2-CB 4.42Å; I33-F58 HydrophobicContact CG2-CD1 4.2Å; I33-F58 HydrophobicContact CG2-CD2 4.24Å; I33-F58 HydrophobicContact CG2-CG 4.04Å
34A94.9Very high95.9Very high17 Ų1760.3 Ų60.314%0.1432%0.318CS..Hα-helixtrans-60-37.5-17500000113.7F17 M21 T30 R31 M36 L37F17-A34 HydrophobicContact CE1-CB 3.96Å; M21-A34 HydrophobicContact CE-CB 4.18Å; M21-A34 HydrophobicContact SD-CB 3.69Å; T30-A34 WeakPolarHBondContact O-CB 3.27Å; T30-A34 PolarHBondContact O-N 2.86Å; R31-A34 PolarHBondContact O-N 3.44Å; A34-M36 PolarHBondContact O-N 3.24Å; A34-L37 PolarHBondContact O-N 3.33Å
35N94.8Very high95.9Very high65 Ų6561.7 Ų61.735%0.34832%0.324SS..Hα-helixtrans-66.6-20.3176.9-78.2-69.2000114E18 M21 R31 I33E18-N35 PolarHBondContact OE2-ND2 2.85Å; M21-N35 VanDerWaalsContact CE-ND2 3.28Å; M21-N35 WeakPolarHBondContact CE-ND2 3.41Å; R31-N35 PolarHBondContact O-N 2.92Å; R31-N35 PolarHBondContact O-ND2 2.84Å; I33-N35 VanDerWaalsContact C-N 3.33Å; I33-N35 PolarHBondContact O-N 2.82Å
36M94.2Very high95.9Very high145 Ų14564.9 Ų64.971%0.71433%0.327SS*.Hα-helixtrans-87.3-11.7177.3-61.8-176.3-67.200112.6K32 I33 A34K32-M36 WeakPolarHBondContact O-CE 3.36Å; I33-M36 PolarHBondContact O-N 2.79Å; A34-M36 PolarHBondContact O-N 3.24Å
37L94Very high95.8Very high29 Ų2967.7 Ų67.715%0.15235%0.35CS..  trans-81148.4-177.2-56.2177.1000110.8I33 A34 T56 T57 F58I33-L37 WeakPolarHBondContact O-CG 3.4Å; A34-L37 PolarHBondContact O-N 3.33Å; L37-T56 HydrophobicContact CB-CG2 4.49Å; L37-T56 HydrophobicContact CD1-CG2 4.19Å; L37-T57 WeakPolarHBondContact CD2-OG1 3.2Å; L37-F58 HydrophobicContact CD1-CB 3.71Å; L37-F58 HydrophobicContact CD2-CB 4.4Å
38K93.9Very high95.8Very high176 Ų17666.7 Ų66.777%0.76534%0.344SS*.  trans-117.492.4168.4-63.9-174179.9-173.60107.8
39P94.9Very high96Very high17 Ų1763.3 Ų63.311%0.1134%0.336CS..  trans-63.2143.5179.3-13.826.3000111.7M11 T54 L55 T56 Y131M11-P39 VanDerWaalsContact CB-O 3.29Å; M11-P39 WeakPolarHBondContact CB-O 3.47Å; M11-P39 HydrophobicContact CE-CB 4.39Å; M11-P39 VanDerWaalsContact CE-CD 3.41Å; M11-P39 HydrophobicContact CE-CG 3.6Å; M11-P39 PolarHBondContact N-O 2.99Å; M11-P39 WeakPolarHBondContact SD-CD 3.47Å; M11-P39 HydrophobicContact SD-CG 4.28Å; P39-T54 HydrophobicContact CB-CG2 3.84Å; P39-L55 CarbonylContact C-O 3.58Å; P39-L55 WeakPolarHBondContact CA-O 3.13Å; P39-T56 HydrophobicContact CB-CG2 3.82Å; P39-T56 HydrophobicContact CG-CG2 3.97Å; P39-Y131 WeakPolarHBondContact O-CE1 3.28Å
40Q97.5Very high96.1Very high67 Ų6760.6 Ų60.631%0.31331%0.313SS..EExtended strand (participates in β ladder)trans-100136.9162.5-178.6176.58100108.5T8 W9 D10 L55T8-Q40 HydrophobicContact CG2-CG 3.5Å; W9-Q40 CarbonylContact O-C 3.57Å; W9-Q40 WeakPolarHBondContact O-CA 3.37Å; D10-Q40 WeakPolarHBondContact OD1-CG 3.12Å; D10-Q40 PolarHBondContact OD1-NE2 2.92Å; Q40-L55 HydrophobicContact CB-CB 4.47Å; Q40-L55 PolarHBondContact N-O 2.87Å; Q40-L55 PolarHBondContact O-N 3.49Å
41K98.1Very high96.3Very high14 Ų1460.3 Ų60.36%0.06131%0.311CS..EExtended strand (participates in β ladder)trans-104.7132171.1-74.8-179.3-177.9-68.20109.8T8 W9 K53 T54 L116 Y131T8-K41 CarbonylContact C-O 3.57Å; T8-K41 WeakPolarHBondContact CA-O 3.34Å; W9-K41 HydrophobicContact CB-CB 4.24Å; W9-K41 PolarHBondContact N-O 2.82Å; W9-K41 PolarHBondContact O-N 2.83Å; K41-K53 CarbonylContact C-O 3.54Å; K41-K53 VanDerWaalsContact CA-O 3.24Å; K41-K53 WeakPolarHBondContact CA-O 3.12Å; K41-T54 PolarHBondContact NZ-OG1 3.38Å; K41-L116 HydrophobicContact CD-CD2 4.15Å; K41-Y131 HydrophobicContact CB-CE1 4.49Å; K41-Y131 HydrophobicContact CD-CD1 4.33Å; K41-Y131 HydrophobicContact CD-CD2 4.4Å; K41-Y131 HydrophobicContact CD-CE1 3.92Å; K41-Y131 HydrophobicContact CD-CE2 3.99Å; K41-Y131 WeakPolarHBondContact CE-OH 3.23Å; K41-Y131 HydrophobicContact CG-CD1 4.34Å; K41-Y131 HydrophobicContact CG-CE1 3.83Å
42V98.5Very high96.4Very high28 Ų2858.9 Ų58.917%0.1731%0.307CS..EExtended strand (participates in β ladder)trans-113.8118.7167.7-176.50000107.1T8 K53 L55T8-V42 HydrophobicContact CG2-CG2 4.2Å; V42-K53 HydrophobicContact CB-CB 4.23Å; V42-K53 PolarHBondContact N-O 2.61Å; V42-K53 PolarHBondContact O-N 2.83Å; V42-L55 HydrophobicContact CG2-CD1 3.98Å
43I98.5Very high96.6Very high4 Ų456.2 Ų56.22%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-112125.8-180-56.2179.3000108.3Y5 S6 G7 F50 I52 L116Y5-I43 HydrophobicContact CD1-CD1 4.5Å; Y5-I43 WeakPolarHBondContact O-CB 3.32Å; S6-I43 WeakPolarHBondContact CA-O 3.39Å; G7-I43 PolarHBondContact N-O 3.3Å; G7-I43 PolarHBondContact O-N 2.71Å; I43-F50 HydrophobicContact CG2-CD1 4.26Å; I43-I52 HydrophobicContact CG1-CG1 4.25Å; I43-I52 HydrophobicContact CG1-CG2 4.3Å; I43-I52 HydrophobicContact CG2-CG1 4.33Å; I43-L116 HydrophobicContact CD1-CD2 3.73Å
44E98.3Very high96.7Very high91 Ų9154.1 Ų54.143%0.42529%0.285SS..EExtended strand (participates in β ladder)trans-114.5118.3172.7-68162.3-165.300107.1F50 T51 K53E44-F50 CarbonylContact O-C 3.6Å; E44-F50 WeakPolarHBondContact O-CA 3.35Å; E44-T51 PolarHBondContact N-O 3.25Å; E44-T51 PolarHBondContact O-N 2.86Å; E44-K53 IonicContact OE1-NZ 2.92Å; E44-K53 PolarHBondContact OE1-NZ 3.31Å; E44-K53 IonicContact OE2-NZ 3.75Å; E44-K53 PolarHBondContact OE2-NZ 2.85Å
45Q97.1Very high96.8Very high35 Ų3555.9 Ų55.916%0.16429%0.292CS..EExtended strand (participates in β ladder)trans-117.4123.9178.5178.1178.9-13.700109.8I3 S6 F50I3-Q45 PolarHBondContact O-NE2 2.74Å; I3-Q45 PolarHBondContact O-OE1 2.87Å; S6-Q45 WeakPolarHBondContact OG-CB 3.43Å; S6-Q45 PolarHBondContact OG-N 2.88Å; Q45-F50 HydrophobicContact CB-CD1 4.05Å; Q45-F50 HydrophobicContact CB-CE1 3.79Å; Q45-F50 HydrophobicContact CB-CZ 4.24Å; Q45-F50 VanDerWaalsContact CD-CE1 3.44Å; Q45-F50 HydrophobicContact CG-CD1 4.14Å; Q45-F50 HydrophobicContact CG-CE1 3.55Å; Q45-F50 HydrophobicContact CG-CE2 3.99Å; Q45-F50 HydrophobicContact CG-CZ 3.47Å; Q45-F50 VanDerWaalsContact CG-CZ 3.47Å
46D96.7Very high96.8Very high123 Ų12354.2 Ų54.266%0.65828%0.284SS*.EExtended strand (participates in β ladder)trans-124.795.8172.2-178.919.8000109.2D48 S49D46-D48 PolarHBondContact O-N 3.3Å; D46-S49 PolarHBondContact N-O 2.77Å; D46-S49 WeakPolarHBondContact O-CB 3.34Å; D46-S49 PolarHBondContact O-N 3.24Å
47S94.1Very high96.5Very high85 Ų8554 Ų5459%0.59429%0.291SS*.THydrogen-bonded Turntrans55-105.5-171.2-1700000111.4
48D95.9Very high96.2Very high65 Ų6557.3 Ų57.335%0.34831%0.305SS..THydrogen-bonded Turntrans-99.4-2.9179-66.2-39.5000113D46 K66 I67D46-D48 PolarHBondContact O-N 3.3Å; D48-K66 HydrophobicContact CB-CG 4.23Å; D48-K66 CarbonylContact O-C 3.6Å; D48-K66 WeakPolarHBondContact O-CA 3.48Å; D48-I67 HydrophobicContact CB-CB 4.16Å; D48-I67 HydrophobicContact CB-CG1 4.32Å; D48-I67 WeakPolarHBondContact O-CG1 3.4Å; D48-I67 PolarHBondContact O-N 2.57Å
49S97.9Very high96Very high55 Ų5553 Ų5339%0.38529%0.285SS..EExtended strand (participates in β ladder)trans-92.7130.2177.9-54.60000109.7D46D46-S49 PolarHBondContact N-O 2.77Å; D46-S49 WeakPolarHBondContact O-CB 3.34Å; D46-S49 PolarHBondContact O-N 3.24Å
50F98.5Very high96Very high2 Ų256.4 Ų56.41%0.00930%0.303CS..EExtended strand (participates in β ladder)trans-124.6142.8-179.7-75.6-100.7000110.5I43 E44 Q45 S64 F65 I67 W89 L94I43-F50 HydrophobicContact CG2-CD1 4.26Å; E44-F50 CarbonylContact O-C 3.6Å; E44-F50 WeakPolarHBondContact O-CA 3.35Å; Q45-F50 HydrophobicContact CB-CD1 4.05Å; Q45-F50 HydrophobicContact CB-CE1 3.79Å; Q45-F50 HydrophobicContact CB-CZ 4.24Å; Q45-F50 VanDerWaalsContact CD-CE1 3.44Å; Q45-F50 HydrophobicContact CG-CD1 4.14Å; Q45-F50 HydrophobicContact CG-CE1 3.55Å; Q45-F50 HydrophobicContact CG-CE2 3.99Å; Q45-F50 HydrophobicContact CG-CZ 3.47Å; Q45-F50 VanDerWaalsContact CG-CZ 3.47Å; F50-S64 CarbonylContact O-C 3.56Å; F50-S64 WeakPolarHBondContact O-CA 3.18Å; F50-F65 HydrophobicContact CB-CD1 4.23Å; F50-F65 HydrophobicContact CB-CD2 4.05Å; F50-F65 HydrophobicContact CB-CE1 3.74Å; F50-F65 HydrophobicContact CB-CE2 3.53Å; F50-F65 HydrophobicContact CB-CG 4.37Å; F50-F65 HydrophobicContact CB-CZ 3.36Å; F50-F65 HydrophobicContact CD1-CZ 4.32Å; F50-F65 HydrophobicContact CD2-CD2 4.49Å; F50-F65 AromaticContact CD2-CE2 3.8Å; F50-F65 HydrophobicContact CD2-CE2 3.8Å; F50-F65 HydrophobicContact CD2-CZ 4.28Å; F50-F65 AromaticContact CG-CE2 3.75Å; F50-F65 HydrophobicContact CG-CE2 3.75Å; F50-F65 AromaticContact CG-CZ 3.76Å; F50-F65 HydrophobicContact CG-CZ 3.76Å; F50-F65 PolarHBondContact N-O 3.16Å; F50-F65 PolarHBondContact O-N 2.83Å; F50-I67 HydrophobicContact CD2-CD1 4.05Å; F50-I67 HydrophobicContact CD2-CG1 4.04Å; F50-I67 HydrophobicContact CE2-CD1 3.79Å; F50-I67 HydrophobicContact CE2-CG1 3.7Å; F50-W89 HydrophobicContact CE2-CZ2 4.28Å; F50-W89 HydrophobicContact CZ-CH2 4.22Å; F50-W89 AromaticContact CZ-CZ2 3.8Å; F50-W89 HydrophobicContact CZ-CZ2 3.8Å; F50-L94 HydrophobicContact CD1-CD1 4.2Å; F50-L94 HydrophobicContact CE1-CD1 3.72Å; F50-L94 HydrophobicContact CZ-CD1 4.06Å; F50-L94 HydrophobicContact CZ-CD2 4.21Å
51T98.6Very high95.9Very high31 Ų3154.8 Ų54.819%0.1929%0.294CS..EExtended strand (participates in β ladder)trans-126.8120.7161.7-66.70000108.8E44 K53 T62 V63 S64E44-T51 PolarHBondContact N-O 3.25Å; E44-T51 PolarHBondContact O-N 2.86Å; T51-K53 HydrophobicContact CG2-CG 4.29Å; T51-T62 HydrophobicContact CG2-CG2 3.83Å; T51-V63 WeakPolarHBondContact CA-O 3.3Å; T51-S64 WeakPolarHBondContact CG2-OG 3.43Å; T51-S64 PolarHBondContact OG1-OG 2.95Å
52I98.4Very high95.9Very high5 Ų557.6 Ų57.63%0.02631%0.313CS..EExtended strand (participates in β ladder)trans-113.6117.4177.6-56.6-178.9000108.3I43 T62 V63 F65 W107I43-I52 HydrophobicContact CG1-CG1 4.25Å; I43-I52 HydrophobicContact CG1-CG2 4.3Å; I43-I52 HydrophobicContact CG2-CG1 4.33Å; I52-T62 WeakPolarHBondContact O-CA 3.44Å; I52-V63 HydrophobicContact CB-CG1 3.99Å; I52-V63 PolarHBondContact N-O 2.96Å; I52-V63 PolarHBondContact O-N 3.28Å; I52-F65 HydrophobicContact CD1-CE1 3.83Å; I52-F65 HydrophobicContact CD1-CZ 4.07Å; I52-F65 HydrophobicContact CG1-CE1 4.15Å; I52-W107 HydrophobicContact CD1-CH2 4.25Å
53K98.3Very high95.8Very high62 Ų6257 Ų5727%0.2731%0.309SS..EExtended strand (participates in β ladder)trans-104122173.6-58.8166.1-174.6160.60108.2K41 V42 E44 T51 L55 Y61 T62K41-K53 CarbonylContact C-O 3.54Å; K41-K53 VanDerWaalsContact CA-O 3.24Å; K41-K53 WeakPolarHBondContact CA-O 3.12Å; V42-K53 HydrophobicContact CB-CB 4.23Å; V42-K53 PolarHBondContact N-O 2.61Å; V42-K53 PolarHBondContact O-N 2.83Å; E44-K53 IonicContact OE1-NZ 2.92Å; E44-K53 PolarHBondContact OE1-NZ 3.31Å; E44-K53 IonicContact OE2-NZ 3.75Å; E44-K53 PolarHBondContact OE2-NZ 2.85Å; T51-K53 HydrophobicContact CG2-CG 4.29Å; K53-L55 HydrophobicContact CB-CD2 4.25Å; K53-L55 HydrophobicContact CB-CG 4.49Å; K53-Y61 CarbonylContact C-O 3.58Å; K53-Y61 WeakPolarHBondContact CA-O 3.46Å; K53-T62 HydrophobicContact CG-CG2 3.88Å
54T97.6Very high95.8Very high20 Ų2059.9 Ų59.912%0.12333%0.33CS..EExtended strand (participates in β ladder)trans-104.6112.8170.2-58.30000108.2P39 K41 N60 Y61P39-T54 HydrophobicContact CB-CG2 3.84Å; K41-T54 PolarHBondContact NZ-OG1 3.38Å; T54-N60 WeakPolarHBondContact O-CA 3.21Å; T54-Y61 PolarHBondContact N-O 2.79Å; T54-Y61 PolarHBondContact O-N 2.74Å
55L97.1Very high95.8Very high55 Ų5556.2 Ų56.229%0.28831%0.312SS..EExtended strand (participates in β ladder)trans-108.4131.9-171.5-54.3178.4000110.3P39 Q40 V42 K53 N60P39-L55 CarbonylContact C-O 3.58Å; P39-L55 WeakPolarHBondContact CA-O 3.13Å; Q40-L55 HydrophobicContact CB-CB 4.47Å; Q40-L55 PolarHBondContact N-O 2.87Å; Q40-L55 PolarHBondContact O-N 3.49Å; V42-L55 HydrophobicContact CG2-CD1 3.98Å; K53-L55 HydrophobicContact CB-CD2 4.25Å; K53-L55 HydrophobicContact CB-CG 4.49Å; L55-N60 VanDerWaalsContact CA-OD1 3.31Å; L55-N60 WeakPolarHBondContact CA-OD1 3.48Å; L55-N60 HydrophobicContact CD2-CB 4.16Å
56T94.1Very high95.9Very high29 Ų2958.6 Ų58.618%0.17832%0.322CS..  trans-140171.5173.7750000110.4L37 P39 F58 K59 N60L37-T56 HydrophobicContact CB-CG2 4.49Å; L37-T56 HydrophobicContact CD1-CG2 4.19Å; P39-T56 HydrophobicContact CB-CG2 3.82Å; P39-T56 HydrophobicContact CG-CG2 3.97Å; T56-F58 PolarHBondContact O-N 2.91Å; T56-F58 PolarHBondContact OG1-N 2.94Å; T56-F58 VanDerWaalsContact OG1-N 3.15Å; T56-K59 PolarHBondContact OG1-N 2.48Å; T56-K59 PolarHBondContact OG1-O 2.96Å; T56-N60 PolarHBondContact N-OD1 2.85Å; T56-N60 PolarHBondContact O-OD1 2.85Å; T56-N60 VanDerWaalsContact O-OD1 3.05Å
57T89.5Confident96Very high141 Ų14154 Ų5487%0.86530%0.297SS*.SBendtrans-74.9-6.3172.453.80000113.6L37L37-T57 WeakPolarHBondContact CD2-OG1 3.2Å
58F87.9Confident96.2Very high99 Ų9952 Ų5243%0.43429%0.29SS..SBendtrans-110.5-61.2-176.7-175.2-121.6000112.5I33 L37 T56I33-F58 HydrophobicContact CD1-CZ 4.5Å; I33-F58 HydrophobicContact CG2-CB 4.42Å; I33-F58 HydrophobicContact CG2-CD1 4.2Å; I33-F58 HydrophobicContact CG2-CD2 4.24Å; I33-F58 HydrophobicContact CG2-CG 4.04Å; L37-F58 HydrophobicContact CD1-CB 3.71Å; L37-F58 HydrophobicContact CD2-CB 4.4Å; T56-F58 PolarHBondContact O-N 2.91Å; T56-F58 PolarHBondContact OG1-N 2.94Å; T56-F58 VanDerWaalsContact OG1-N 3.15Å
59K88.7Confident96.3Very high84 Ų8453.6 Ų53.637%0.36530%0.296SS..  trans-140138.1179.6-69.8-174.8-177.8179.60110.5T56 A77T56-K59 PolarHBondContact OG1-N 2.48Å; T56-K59 PolarHBondContact OG1-O 2.96Å; K59-A77 HydrophobicContact CB-CB 4.27Å; K59-A77 WeakPolarHBondContact CD-O 3.44Å
60N94.4Very high96.3Very high90 Ų9055.8 Ų55.848%0.48130%0.3SS..  trans-104.8145.7175.9-62.7-26.4000109.8T54 L55 T56 A77T54-N60 WeakPolarHBondContact O-CA 3.21Å; L55-N60 VanDerWaalsContact CA-OD1 3.31Å; L55-N60 WeakPolarHBondContact CA-OD1 3.48Å; L55-N60 HydrophobicContact CD2-CB 4.16Å; T56-N60 PolarHBondContact N-OD1 2.85Å; T56-N60 PolarHBondContact O-OD1 2.85Å; T56-N60 VanDerWaalsContact O-OD1 3.05Å; N60-A77 WeakPolarHBondContact O-CB 3.4Å
61Y96.3Very high96.3Very high33 Ų3357.9 Ų57.913%0.12931%0.309CS..EExtended strand (participates in β ladder)trans-132.9134.5178.2-178.1-114000110.5K53 T54 V63 E73 A77 M78K53-Y61 CarbonylContact C-O 3.58Å; K53-Y61 WeakPolarHBondContact CA-O 3.46Å; T54-Y61 PolarHBondContact N-O 2.79Å; T54-Y61 PolarHBondContact O-N 2.74Å; Y61-V63 HydrophobicContact CE1-CB 3.91Å; Y61-V63 HydrophobicContact CE1-CG1 4.23Å; Y61-E73 WeakPolarHBondContact OH-CG 3.38Å; Y61-E73 PolarHBondContact OH-OE1 3.18Å; Y61-A77 HydrophobicContact CD2-CB 4.25Å; Y61-M78 VanDerWaalsContact CB-CE 3.48Å; Y61-M78 HydrophobicContact CD2-CG 4.46Å; Y61-M78 HydrophobicContact CG-CE 4.29Å; Y61-M78 HydrophobicContact CG-CG 4.22Å
62T97.4Very high96.3Very high73 Ų7361.4 Ų61.445%0.44832%0.323SS..EExtended strand (participates in β ladder)trans-125.8133176-56.70000108.4T51 I52 K53T51-T62 HydrophobicContact CG2-CG2 3.83Å; I52-T62 WeakPolarHBondContact O-CA 3.44Å; K53-T62 HydrophobicContact CG-CG2 3.88Å
63V97.7Very high96.3Very high14 Ų1461.6 Ų61.69%0.08532%0.324CS..EExtended strand (participates in β ladder)trans-127.3132.5170.963.10000108.8T51 I52 Y61 F65 F71 E73T51-V63 WeakPolarHBondContact CA-O 3.3Å; I52-V63 HydrophobicContact CB-CG1 3.99Å; I52-V63 PolarHBondContact N-O 2.96Å; I52-V63 PolarHBondContact O-N 3.28Å; Y61-V63 HydrophobicContact CE1-CB 3.91Å; Y61-V63 HydrophobicContact CE1-CG1 4.23Å; V63-F65 HydrophobicContact CG1-CD1 4.49Å; V63-F65 HydrophobicContact CG1-CE1 4.5Å; V63-F65 HydrophobicContact CG2-CD1 4.28Å; V63-F71 HydrophobicContact CG2-CE2 3.9Å; V63-F71 HydrophobicContact CG2-CZ 3.7Å; V63-E73 HydrophobicContact CG2-CG 4.43Å
64S98.1Very high96.2Very high66 Ų6662.1 Ų62.146%0.46233%0.332SS..EExtended strand (participates in β ladder)trans-121.7134174.4-60.90000108.6F50 T51F50-S64 CarbonylContact O-C 3.56Å; F50-S64 WeakPolarHBondContact O-CA 3.18Å; T51-S64 WeakPolarHBondContact CG2-OG 3.43Å; T51-S64 PolarHBondContact OG1-OG 2.95Å
65F98.5Very high96Very high14 Ų1461.3 Ų61.36%0.06133%0.327CS..EExtended strand (participates in β ladder)trans-152.3164.2-175.560-91.7000110.6F50 I52 V63 I67 F71 V87 W107F50-F65 HydrophobicContact CB-CD1 4.23Å; F50-F65 HydrophobicContact CB-CD2 4.05Å; F50-F65 HydrophobicContact CB-CE1 3.74Å; F50-F65 HydrophobicContact CB-CE2 3.53Å; F50-F65 HydrophobicContact CB-CG 4.37Å; F50-F65 HydrophobicContact CB-CZ 3.36Å; F50-F65 HydrophobicContact CD1-CZ 4.32Å; F50-F65 HydrophobicContact CD2-CD2 4.49Å; F50-F65 AromaticContact CD2-CE2 3.8Å; F50-F65 HydrophobicContact CD2-CE2 3.8Å; F50-F65 HydrophobicContact CD2-CZ 4.28Å; F50-F65 AromaticContact CG-CE2 3.75Å; F50-F65 HydrophobicContact CG-CE2 3.75Å; F50-F65 AromaticContact CG-CZ 3.76Å; F50-F65 HydrophobicContact CG-CZ 3.76Å; F50-F65 PolarHBondContact N-O 3.16Å; F50-F65 PolarHBondContact O-N 2.83Å; I52-F65 HydrophobicContact CD1-CE1 3.83Å; I52-F65 HydrophobicContact CD1-CZ 4.07Å; I52-F65 HydrophobicContact CG1-CE1 4.15Å; V63-F65 HydrophobicContact CG1-CD1 4.49Å; V63-F65 HydrophobicContact CG1-CE1 4.5Å; V63-F65 HydrophobicContact CG2-CD1 4.28Å; F65-I67 HydrophobicContact CE2-CD1 3.97Å; F65-F71 HydrophobicContact CB-CD1 3.98Å; F65-F71 HydrophobicContact CB-CE1 3.41Å; F65-F71 VanDerWaalsContact CB-CE1 3.41Å; F65-F71 HydrophobicContact CB-CZ 3.84Å; F65-F71 HydrophobicContact CG-CE1 4.35Å; F65-V87 HydrophobicContact CD1-CG2 4.16Å; F65-V87 HydrophobicContact CD2-CB 3.65Å; F65-V87 HydrophobicContact CD2-CG1 4.23Å; F65-V87 HydrophobicContact CD2-CG2 3.65Å; F65-V87 HydrophobicContact CE1-CG2 4.2Å; F65-V87 HydrophobicContact CE2-CB 3.54Å; F65-V87 HydrophobicContact CE2-CG1 3.58Å; F65-V87 HydrophobicContact CE2-CG2 3.71Å; F65-V87 HydrophobicContact CG-CB 4.38Å; F65-V87 HydrophobicContact CG-CG2 3.89Å; F65-V87 HydrophobicContact CZ-CB 4.2Å; F65-V87 HydrophobicContact CZ-CG1 3.99Å; F65-V87 HydrophobicContact CZ-CG2 3.98Å; F65-W107 HydrophobicContact CE1-CH2 4.31Å; F65-W107 HydrophobicContact CE1-CZ2 4.4Å; F65-W107 HydrophobicContact CZ-CH2 4.1Å
66K98.4Very high95.6Very high84 Ų8466.3 Ų66.337%0.36535%0.347SS..EExtended strand (participates in β ladder)trans-117.1138.9168.7-176.1167.1165.9-144.80109.2D48 G68 E69D48-K66 HydrophobicContact CB-CG 4.23Å; D48-K66 CarbonylContact O-C 3.6Å; D48-K66 WeakPolarHBondContact O-CA 3.48Å; K66-G68 PolarHBondContact O-N 3.05Å; K66-E69 HydrophobicContact CB-CB 4.33Å; K66-E69 HydrophobicContact CB-CG 4.34Å; K66-E69 VanDerWaalsContact CD-OE1 3.28Å; K66-E69 WeakPolarHBondContact CD-OE1 3.49Å; K66-E69 VanDerWaalsContact CE-OE1 3.27Å; K66-E69 WeakPolarHBondContact CE-OE1 3.26Å; K66-E69 HydrophobicContact CG-CG 4.39Å; K66-E69 IonicContact NZ-OE1 3.78Å; K66-E69 PolarHBondContact NZ-OE1 3.02Å; K66-E69 PolarHBondContact O-N 2.87Å; K66-E69 VanDerWaalsContact O-N 3.15Å
67I98.3Very high95.2Very high27 Ų2766 Ų6614%0.13835%0.347CS..THydrogen-bonded Turntrans-56.5131.1-178.7-62.7-64.5000110.4D48 F50 F65 E69 V87 W89 L94D48-I67 HydrophobicContact CB-CB 4.16Å; D48-I67 HydrophobicContact CB-CG1 4.32Å; D48-I67 WeakPolarHBondContact O-CG1 3.4Å; D48-I67 PolarHBondContact O-N 2.57Å; F50-I67 HydrophobicContact CD2-CD1 4.05Å; F50-I67 HydrophobicContact CD2-CG1 4.04Å; F50-I67 HydrophobicContact CE2-CD1 3.79Å; F50-I67 HydrophobicContact CE2-CG1 3.7Å; F65-I67 HydrophobicContact CE2-CD1 3.97Å; I67-E69 PolarHBondContact O-N 2.79Å; I67-V87 WeakPolarHBondContact CA-O 3.1Å; I67-V87 HydrophobicContact CD1-CG1 4.16Å; I67-W89 HydrophobicContact CG2-CG 4.48Å; I67-L94 HydrophobicContact CD1-CD2 3.56Å
68G98.2Very high95.3Very high43 Ų4363 Ų6344%0.44332%0.324SS..THydrogen-bonded Turntrans79.4-7.4178.900000115.7K66 V87 N88K66-G68 PolarHBondContact O-N 3.05Å; G68-V87 PolarHBondContact N-O 3.14Å; G68-N88 WeakPolarHBondContact CA-OD1 3.45Å
69E98.5Very high95.6Very high99 Ų9959.3 Ų59.346%0.46331%0.309SS..  trans-97.8120.3-179.9-63.8-175.7-169.500110.4K66 I67K66-E69 HydrophobicContact CB-CB 4.33Å; K66-E69 HydrophobicContact CB-CG 4.34Å; K66-E69 VanDerWaalsContact CD-OE1 3.28Å; K66-E69 WeakPolarHBondContact CD-OE1 3.49Å; K66-E69 VanDerWaalsContact CE-OE1 3.27Å; K66-E69 WeakPolarHBondContact CE-OE1 3.26Å; K66-E69 HydrophobicContact CG-CG 4.39Å; K66-E69 IonicContact NZ-OE1 3.78Å; K66-E69 PolarHBondContact NZ-OE1 3.02Å; K66-E69 PolarHBondContact O-N 2.87Å; K66-E69 VanDerWaalsContact O-N 3.15Å; I67-E69 PolarHBondContact O-N 2.79Å
70E98.4Very high95.8Very high101 Ų10160.5 Ų60.547%0.47232%0.319SS..  trans-74.5136.3175.2-165.1170.4-123.800109.7Q84 T85 V86 K99E70-Q84 HydrophobicContact CG-CB 4.43Å; E70-T85 CarbonylContact C-O 3.57Å; E70-T85 WeakPolarHBondContact CA-O 3.23Å; E70-V86 HydrophobicContact CB-CB 4.27Å; E70-V86 HydrophobicContact CG-CB 4.35Å; E70-K99 IonicContact OE1-NZ 2.71Å; E70-K99 PolarHBondContact OE1-NZ 2.96Å
71F98.5Very high95.9Very high45 Ų4558.2 Ų58.220%0.19730%0.304CS..EExtended strand (participates in β ladder)trans-141.6160.7-17970.5-79.5000111.6V63 F65 E73 T85V63-F71 HydrophobicContact CG2-CE2 3.9Å; V63-F71 HydrophobicContact CG2-CZ 3.7Å; F65-F71 HydrophobicContact CB-CD1 3.98Å; F65-F71 HydrophobicContact CB-CE1 3.41Å; F65-F71 VanDerWaalsContact CB-CE1 3.41Å; F65-F71 HydrophobicContact CB-CZ 3.84Å; F65-F71 HydrophobicContact CG-CE1 4.35Å; F71-E73 HydrophobicContact CD2-CB 4.28Å; F71-E73 HydrophobicContact CE2-CB 3.69Å; F71-E73 HydrophobicContact CE2-CG 4.11Å; F71-E73 HydrophobicContact CZ-CB 4.35Å; F71-T85 WeakPolarHBondContact CD1-O 3.45Å; F71-T85 HydrophobicContact CE1-CG2 3.57Å; F71-T85 HydrophobicContact CZ-CG2 3.57Å; F71-T85 PolarHBondContact N-O 2.88Å; F71-T85 PolarHBondContact O-N 3.22Å
72E98.2Very high95.9Very high106 Ų10662.9 Ų62.950%0.49533%0.325SS..EExtended strand (participates in β ladder)trans-84.8119.5175-175.7175.9115.300110.6K82E72-K82 VanDerWaalsContact CG-CE 3.47Å; E72-K82 HydrophobicContact CG-CG 4.21Å; E72-K82 WeakPolarHBondContact OE1-CE 3.09Å; E72-K82 IonicContact OE1-NZ 3.44Å; E72-K82 PolarHBondContact OE1-NZ 2.57Å; E72-K82 WeakPolarHBondContact OE2-CE 3.42Å; E72-K82 IonicContact OE2-NZ 2.88Å; E72-K82 PolarHBondContact OE2-NZ 2.79Å
73E97.7Very high96Very high8 Ų859.6 Ų59.64%0.03731%0.305CS..EExtended strand (participates in β ladder)trans-111.1134.9-179.8-173.3-177.4-172.900110.4Y61 V63 F71 T75 K82 V83 T85 Q98Y61-E73 WeakPolarHBondContact OH-CG 3.38Å; Y61-E73 PolarHBondContact OH-OE1 3.18Å; V63-E73 HydrophobicContact CG2-CG 4.43Å; F71-E73 HydrophobicContact CD2-CB 4.28Å; F71-E73 HydrophobicContact CE2-CB 3.69Å; F71-E73 HydrophobicContact CE2-CG 4.11Å; F71-E73 HydrophobicContact CZ-CB 4.35Å; E73-T75 HydrophobicContact CG-CG2 4.25Å; E73-K82 WeakPolarHBondContact O-CA 3.48Å; E73-V83 HydrophobicContact CB-CG2 3.9Å; E73-V83 HydrophobicContact CG-CG2 4.43Å; E73-V83 PolarHBondContact N-O 2.93Å; E73-V83 PolarHBondContact O-N 2.78Å; E73-T85 WeakPolarHBondContact CB-OG1 3.26Å; E73-T85 WeakPolarHBondContact OE2-CB 3.37Å; E73-T85 WeakPolarHBondContact OE2-CG2 2.8Å; E73-T85 PolarHBondContact OE2-OG1 2.97Å; E73-Q98 VanDerWaalsContact CD-NE2 3.34Å; E73-Q98 PolarHBondContact OE1-NE2 3.12Å; E73-Q98 PolarHBondContact OE2-NE2 2.93Å
74V96Very high96Very high73 Ų7362.4 Ų62.444%0.44232%0.317SS..EExtended strand (participates in β ladder)trans-116.5108.6173.7-174.20000109.6K76 R81V74-K76 HydrophobicContact CG1-CB 4.22Å; V74-K76 PolarHBondContact O-N 3.18Å; V74-R81 CarbonylContact C-O 3.25Å; V74-R81 WeakPolarHBondContact CA-O 3.35Å
75T93.8Very high96Very high3 Ų359.3 Ų59.32%0.01830%0.295CS..  trans-82.642.4-174.862.10000112.8E73 A77 M78 D79 N80 R81E73-T75 HydrophobicContact CG-CG2 4.25Å; T75-A77 VanDerWaalsContact C-N 3.29Å; T75-A77 PolarHBondContact O-N 3.43Å; T75-A77 VanDerWaalsContact O-N 3.14Å; T75-M78 CarbonylContact O-C 3.51Å; T75-M78 WeakPolarHBondContact O-CA 3.45Å; T75-M78 PolarHBondContact O-N 3.06Å; T75-D79 VanDerWaalsContact CB-OD1 3.22Å; T75-D79 WeakPolarHBondContact CB-OD1 3.45Å; T75-D79 PolarHBondContact O-N 3.16Å; T75-D79 PolarHBondContact OG1-OD1 2.97Å; T75-N80 WeakPolarHBondContact O-CA 3.24Å; T75-N80 PolarHBondContact O-N 3.36Å; T75-R81 PolarHBondContact N-O 2.85Å; T75-R81 PolarHBondContact OG1-N 3.22Å; T75-R81 PolarHBondContact OG1-O 3.29Å
76K88.3Confident96Very high160 Ų16059.6 Ų59.670%0.69630%0.298SS*.THydrogen-bonded Turntrans-53.7-37.3-169.3-170.7175.2-177.9179.10114.7V74 M78V74-K76 HydrophobicContact CG1-CB 4.22Å; V74-K76 PolarHBondContact O-N 3.18Å; K76-M78 VanDerWaalsContact C-N 3.28Å
77A87.4Confident96.1Very high23 Ų2355.6 Ų55.619%0.1928%0.281CS..THydrogen-bonded Turntrans-83.3-3.7179.500000113.8K59 N60 Y61 T75K59-A77 HydrophobicContact CB-CB 4.27Å; K59-A77 WeakPolarHBondContact CD-O 3.44Å; N60-A77 WeakPolarHBondContact O-CB 3.4Å; Y61-A77 HydrophobicContact CD2-CB 4.25Å; T75-A77 VanDerWaalsContact C-N 3.29Å; T75-A77 PolarHBondContact O-N 3.43Å; T75-A77 VanDerWaalsContact O-N 3.14Å
78M90.4Very high96.1Very high79 Ų7957.7 Ų57.739%0.38929%0.292SS..THydrogen-bonded Turntrans-115.7-103.7-177.6-60.1-64.9135.600109.1Y61 T75 K76Y61-M78 VanDerWaalsContact CB-CE 3.48Å; Y61-M78 HydrophobicContact CD2-CG 4.46Å; Y61-M78 HydrophobicContact CG-CE 4.29Å; Y61-M78 HydrophobicContact CG-CG 4.22Å; T75-M78 CarbonylContact O-C 3.51Å; T75-M78 WeakPolarHBondContact O-CA 3.45Å; T75-M78 PolarHBondContact O-N 3.06Å; K76-M78 VanDerWaalsContact C-N 3.28Å
79D93.5Very high96Very high20 Ų2058.7 Ų58.711%0.10728%0.283CS..THydrogen-bonded Turntrans-101.15.6-177.669.6-49000114L24 I26 T75 R81 R105L24-D79 HydrophobicContact CB-CB 4.41Å; L24-D79 HydrophobicContact CD1-CB 4.44Å; I26-D79 HydrophobicContact CD1-CB 4.34Å; I26-D79 HydrophobicContact CG1-CB 4.25Å; T75-D79 VanDerWaalsContact CB-OD1 3.22Å; T75-D79 WeakPolarHBondContact CB-OD1 3.45Å; T75-D79 PolarHBondContact O-N 3.16Å; T75-D79 PolarHBondContact OG1-OD1 2.97Å; D79-R81 PolarHBondContact O-N 2.84Å; D79-R81 VanDerWaalsContact OD2-CD 3.29Å; D79-R81 WeakPolarHBondContact OD2-CD 3.5Å; D79-R81 WeakPolarHBondContact OD2-CG 3.3Å; D79-R81 IonicContact OD2-CZ 3.29Å; D79-R81 IonicContact OD2-NE 2.73Å; D79-R81 IonicContact OD2-NH1 3.69Å; D79-R81 PolarHBondContact OD2-NH1 2.73Å; D79-R105 IonicContact OD1-CZ 2.67Å; D79-R105 IonicContact OD1-NH1 3.4Å; D79-R105 IonicContact OD1-NH2 2.79Å; D79-R105 PolarHBondContact OD1-NH2 2.73Å; D79-R105 IonicContact OD2-CZ 2.74Å; D79-R105 IonicContact OD2-NH1 2.85Å; D79-R105 PolarHBondContact OD2-NH1 2.92Å; D79-R105 IonicContact OD2-NH2 3.73Å; D79-R105 PolarHBondContact OD2-NH2 3.37Å
80N94.3Very high95.9Very high109 Ų10958 Ų5858%0.58328%0.282SS*.  trans53.546.9174.8-167.350.8000114.2T75T75-N80 WeakPolarHBondContact O-CA 3.24Å; T75-N80 PolarHBondContact O-N 3.36Å
81R96.1Very high95.7Very high43 Ų4361.3 Ų61.316%0.16230%0.297CS..  trans-110.8153.9176.2-70.8-167.8175.678.81.7111.7L24 V74 T75 D79 V83 E101L24-R81 VanDerWaalsContact O-CZ 3.27Å; L24-R81 PolarHBondContact O-NH1 2.96Å; L24-R81 PolarHBondContact O-NH2 2.97Å; V74-R81 CarbonylContact C-O 3.25Å; V74-R81 WeakPolarHBondContact CA-O 3.35Å; T75-R81 PolarHBondContact N-O 2.85Å; T75-R81 PolarHBondContact OG1-N 3.22Å; T75-R81 PolarHBondContact OG1-O 3.29Å; D79-R81 PolarHBondContact O-N 2.84Å; D79-R81 VanDerWaalsContact OD2-CD 3.29Å; D79-R81 WeakPolarHBondContact OD2-CD 3.5Å; D79-R81 WeakPolarHBondContact OD2-CG 3.3Å; D79-R81 IonicContact OD2-CZ 3.29Å; D79-R81 IonicContact OD2-NE 2.73Å; D79-R81 IonicContact OD2-NH1 3.69Å; D79-R81 PolarHBondContact OD2-NH1 2.73Å; R81-V83 HydrophobicContact CB-CG1 4.37Å; R81-E101 IonicContact CZ-OE2 2.73Å; R81-E101 IonicContact NE-OE2 3.69Å; R81-E101 PolarHBondContact NE-OE2 3.32Å; R81-E101 IonicContact NH2-OE2 3.91Å
82K97.2Very high95.5Very high130 Ų13062.6 Ų62.657%0.56531%0.306SS*.EExtended strand (participates in β ladder)trans-101120.4170.2-173.4176.9-179.3167.80108E72 E73E72-K82 VanDerWaalsContact CG-CE 3.47Å; E72-K82 HydrophobicContact CG-CG 4.21Å; E72-K82 WeakPolarHBondContact OE1-CE 3.09Å; E72-K82 IonicContact OE1-NZ 3.44Å; E72-K82 PolarHBondContact OE1-NZ 2.57Å; E72-K82 WeakPolarHBondContact OE2-CE 3.42Å; E72-K82 IonicContact OE2-NZ 2.88Å; E72-K82 PolarHBondContact OE2-NZ 2.79Å; E73-K82 WeakPolarHBondContact O-CA 3.48Å
83V97.9Very high95.4Very high4 Ų461.2 Ų61.22%0.02430%0.298CS..EExtended strand (participates in β ladder)trans-133.7155-177.1-63.90000110.2E73 R81 T85 Q98 K99E73-V83 HydrophobicContact CB-CG2 3.9Å; E73-V83 HydrophobicContact CG-CG2 4.43Å; E73-V83 PolarHBondContact N-O 2.93Å; E73-V83 PolarHBondContact O-N 2.78Å; R81-V83 HydrophobicContact CB-CG1 4.37Å; V83-T85 WeakPolarHBondContact CG2-OG1 3.35Å; V83-Q98 HydrophobicContact CB-CB 4.38Å; V83-Q98 HydrophobicContact CG2-CB 4.13Å; V83-Q98 HydrophobicContact CG2-CG 4.42Å; V83-K99 WeakPolarHBondContact CA-O 3.19Å; V83-K99 WeakPolarHBondContact CB-O 3.48Å
84Q98.5Very high95.5Very high73 Ų7360.9 Ų60.934%0.34130%0.297SS..EExtended strand (participates in β ladder)trans-93.6119.4168.8-69.1-62.4-44.700108.3E70 K99E70-Q84 HydrophobicContact CG-CB 4.43Å; Q84-K99 HydrophobicContact CB-CB 4.41Å; Q84-K99 PolarHBondContact N-O 2.7Å; Q84-K99 PolarHBondContact O-N 2.79Å
85T98.8Very high95.6Very high1 Ų159.3 Ų59.31%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-120.2136.9-168.6-62.20000110.5E70 F71 E73 V83 C96 V97 Q98E70-T85 CarbonylContact C-O 3.57Å; E70-T85 WeakPolarHBondContact CA-O 3.23Å; F71-T85 WeakPolarHBondContact CD1-O 3.45Å; F71-T85 HydrophobicContact CE1-CG2 3.57Å; F71-T85 HydrophobicContact CZ-CG2 3.57Å; F71-T85 PolarHBondContact N-O 2.88Å; F71-T85 PolarHBondContact O-N 3.22Å; E73-T85 WeakPolarHBondContact CB-OG1 3.26Å; E73-T85 WeakPolarHBondContact OE2-CB 3.37Å; E73-T85 WeakPolarHBondContact OE2-CG2 2.8Å; E73-T85 PolarHBondContact OE2-OG1 2.97Å; V83-T85 WeakPolarHBondContact CG2-OG1 3.35Å; T85-C96 WeakPolarHBondContact CG2-SG 2.93Å; T85-V97 WeakPolarHBondContact CA-O 2.98Å; T85-Q98 HydrophobicContact CG2-CG 4.07Å
86V98.8Very high95.8Very high20 Ų2059.3 Ų59.312%0.12129%0.287CS..EExtended strand (participates in β ladder)trans-137.3138.7170.564.50000109.2E70 C96 V97E70-V86 HydrophobicContact CB-CB 4.27Å; E70-V86 HydrophobicContact CG-CB 4.35Å; V86-C96 WeakPolarHBondContact O-CA 3.36Å; V86-V97 HydrophobicContact CG1-CB 4.35Å; V86-V97 PolarHBondContact N-O 3.17Å; V86-V97 VanDerWaalsContact N-O 3.1Å; V86-V97 PolarHBondContact O-N 2.92Å
87V98.8Very high96.3Very high0 Ų054.7 Ų54.70%027%0.273CS..EExtended strand (participates in β ladder)trans-117.9129176.3-169.90000108.8F65 I67 G68 L94 V95 C96 W107F65-V87 HydrophobicContact CD1-CG2 4.16Å; F65-V87 HydrophobicContact CD2-CB 3.65Å; F65-V87 HydrophobicContact CD2-CG1 4.23Å; F65-V87 HydrophobicContact CD2-CG2 3.65Å; F65-V87 HydrophobicContact CE1-CG2 4.2Å; F65-V87 HydrophobicContact CE2-CB 3.54Å; F65-V87 HydrophobicContact CE2-CG1 3.58Å; F65-V87 HydrophobicContact CE2-CG2 3.71Å; F65-V87 HydrophobicContact CG-CB 4.38Å; F65-V87 HydrophobicContact CG-CG2 3.89Å; F65-V87 HydrophobicContact CZ-CB 4.2Å; F65-V87 HydrophobicContact CZ-CG1 3.99Å; F65-V87 HydrophobicContact CZ-CG2 3.98Å; I67-V87 WeakPolarHBondContact CA-O 3.1Å; I67-V87 HydrophobicContact CD1-CG1 4.16Å; G68-V87 PolarHBondContact N-O 3.14Å; V87-L94 HydrophobicContact CG1-CB 4.25Å; V87-L94 HydrophobicContact CG1-CD2 4.35Å; V87-V95 CarbonylContact C-O 3.6Å; V87-V95 WeakPolarHBondContact CA-O 3.18Å; V87-C96 HydrophobicContact CG1-CB 4.47Å; V87-C96 HydrophobicContact CG2-CB 3.92Å; V87-W107 HydrophobicContact CG1-CH2 3.86Å; V87-W107 HydrophobicContact CG1-CZ3 4.34Å; V87-W107 HydrophobicContact CG2-CH2 4.03Å; V87-W107 HydrophobicContact CG2-CZ2 3.99Å
88N98.2Very high96.8Very high71 Ų7154.1 Ų54.138%0.3827%0.266SS..EExtended strand (participates in β ladder)trans-128.5156.8179.2-68.2-75.3000110.7G68 V95G68-N88 WeakPolarHBondContact CA-OD1 3.45Å; N88-V95 PolarHBondContact N-O 3.29Å; N88-V95 PolarHBondContact O-N 3.31Å
89W97.1Very high97.2Very high64 Ų6455.8 Ų55.824%0.24227%0.271CS..EExtended strand (participates in β ladder)trans-73.3131.7163.9-69.8113.6000110.2P2 Y5 F50 I67 K93 L94P2-W89 HydrophobicContact CB-CH2 4.06Å; P2-W89 HydrophobicContact CB-CZ2 3.54Å; Y5-W89 AromaticContact CD2-CH2 3.94Å; Y5-W89 HydrophobicContact CD2-CH2 3.94Å; Y5-W89 HydrophobicContact CD2-CZ3 4.44Å; Y5-W89 AromaticContact CE2-CH2 3.59Å; Y5-W89 HydrophobicContact CE2-CH2 3.59Å; Y5-W89 AromaticContact CE2-CZ3 3.64Å; Y5-W89 HydrophobicContact CE2-CZ3 3.64Å; F50-W89 HydrophobicContact CE2-CZ2 4.28Å; F50-W89 HydrophobicContact CZ-CH2 4.22Å; F50-W89 AromaticContact CZ-CZ2 3.8Å; F50-W89 HydrophobicContact CZ-CZ2 3.8Å; I67-W89 HydrophobicContact CG2-CG 4.48Å; W89-K93 CarbonylContact C-O 3.44Å; W89-K93 WeakPolarHBondContact CA-O 3.47Å; W89-L94 HydrophobicContact CD2-CD2 3.78Å; W89-L94 HydrophobicContact CE3-CD2 3.65Å; W89-L94 HydrophobicContact CE3-CG 4.23Å; W89-L94 HydrophobicContact CH2-CD2 3.55Å; W89-L94 HydrophobicContact CH2-CG 3.94Å; W89-L94 HydrophobicContact CZ2-CD2 3.68Å; W89-L94 HydrophobicContact CZ3-CD2 3.53Å; W89-L94 HydrophobicContact CZ3-CG 3.77Å
90D96.6Very high97.4Very high84 Ų8457.2 Ų57.245%0.44929%0.29SS..EExtended strand (participates in β ladder)trans-117.398.1157178.812.3000107D92 K93 V95D90-D92 PolarHBondContact O-N 2.89Å; D90-K93 PolarHBondContact N-O 2.91Å; D90-K93 WeakPolarHBondContact O-CB 3.31Å; D90-K93 PolarHBondContact O-N 2.74Å; D90-V95 HydrophobicContact CB-CG2 3.65Å
91H93.5Very high97.5Very high172 Ų17259 Ų5980%0.79630%0.295SS*.THydrogen-bonded Turntrans54.1-107.2-168.7-58.577.6000111.8
92D93.9Very high97.5Very high71 Ų7158.6 Ų58.638%0.3830%0.295SS..THydrogen-bonded Turntrans-101.78.6-178.466.6-18.4000113.1I3 Y5 D90I3-D92 HydrophobicContact CD1-CB 3.62Å; I3-D92 HydrophobicContact CG1-CB 4.23Å; Y5-D92 PolarHBondContact OH-O 2.75Å; D90-D92 PolarHBondContact O-N 2.89Å
93K97.6Very high97.6Very high77 Ų7760.7 Ų60.734%0.33530%0.304SS..EExtended strand (participates in β ladder)trans-110.8143.9-177.4-47.1-168.3175.6175.80111.6W89 D90 T108 H109 W110W89-K93 CarbonylContact C-O 3.44Å; W89-K93 WeakPolarHBondContact CA-O 3.47Å; D90-K93 PolarHBondContact N-O 2.91Å; D90-K93 WeakPolarHBondContact O-CB 3.31Å; D90-K93 PolarHBondContact O-N 2.74Å; K93-T108 HydrophobicContact CB-CG2 4.04Å; K93-T108 HydrophobicContact CD-CG2 4.17Å; K93-H109 WeakPolarHBondContact CA-O 3.33Å; K93-W110 HydrophobicContact CB-CB 4.23Å; K93-W110 HydrophobicContact CD-CB 4.02Å; K93-W110 HydrophobicContact CD-CG 4.38Å; K93-W110 HydrophobicContact CG-CB 3.72Å
94L98.2Very high97.5Very high1 Ų165.7 Ų65.71%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-91.7111.7168-67.5176.7000109.2Y5 F50 I67 V87 W89 W107 T108 H109Y5-L94 HydrophobicContact CD1-CD1 4.16Å; Y5-L94 HydrophobicContact CD2-CD1 4.19Å; Y5-L94 HydrophobicContact CE1-CD1 4.13Å; Y5-L94 HydrophobicContact CE1-CG 4.43Å; Y5-L94 HydrophobicContact CE2-CD1 4.18Å; Y5-L94 HydrophobicContact CE2-CG 4.13Å; Y5-L94 HydrophobicContact CG-CD1 4.17Å; Y5-L94 PolarHBondContact OH-N 2.98Å; F50-L94 HydrophobicContact CD1-CD1 4.2Å; F50-L94 HydrophobicContact CE1-CD1 3.72Å; F50-L94 HydrophobicContact CZ-CD1 4.06Å; F50-L94 HydrophobicContact CZ-CD2 4.21Å; I67-L94 HydrophobicContact CD1-CD2 3.56Å; V87-L94 HydrophobicContact CG1-CB 4.25Å; V87-L94 HydrophobicContact CG1-CD2 4.35Å; W89-L94 HydrophobicContact CD2-CD2 3.78Å; W89-L94 HydrophobicContact CE3-CD2 3.65Å; W89-L94 HydrophobicContact CE3-CG 4.23Å; W89-L94 HydrophobicContact CH2-CD2 3.55Å; W89-L94 HydrophobicContact CH2-CG 3.94Å; W89-L94 HydrophobicContact CZ2-CD2 3.68Å; W89-L94 HydrophobicContact CZ3-CD2 3.53Å; W89-L94 HydrophobicContact CZ3-CG 3.77Å; L94-W107 HydrophobicContact CB-CZ3 4.03Å; L94-T108 CarbonylContact O-C 3.6Å; L94-T108 VanDerWaalsContact O-CA 3.27Å; L94-T108 WeakPolarHBondContact O-CA 3.43Å; L94-H109 HydrophobicContact CB-CB 4.33Å; L94-H109 PolarHBondContact N-O 3.22Å; L94-H109 PolarHBondContact O-N 2.86Å
95V98.6Very high97.5Very high40 Ų4062.9 Ų62.924%0.24232%0.317CS..EExtended strand (participates in β ladder)trans-107120.1178.9-178.60000109.4V87 N88 D90 T108V87-V95 CarbonylContact C-O 3.6Å; V87-V95 WeakPolarHBondContact CA-O 3.18Å; N88-V95 PolarHBondContact N-O 3.29Å; N88-V95 PolarHBondContact O-N 3.31Å; D90-V95 HydrophobicContact CB-CG2 3.65Å; V95-T108 HydrophobicContact CG2-CG2 3.94Å
96C98.8Very high97.5Very high3 Ų363 Ų632%0.0232%0.317CS..EExtended strand (participates in β ladder)trans-109.5132.5178.8178.70000111T85 V86 V87 G106 W107T85-C96 WeakPolarHBondContact CG2-SG 2.93Å; V86-C96 WeakPolarHBondContact O-CA 3.36Å; V87-C96 HydrophobicContact CG1-CB 4.47Å; V87-C96 HydrophobicContact CG2-CB 3.92Å; C96-G106 CarbonylContact O-C 3.56Å; C96-G106 WeakPolarHBondContact O-CA 3.47Å; C96-W107 HydrophobicContact CB-CD2 3.25Å; C96-W107 HydrophobicContact CB-CE3 3.62Å; C96-W107 HydrophobicContact CB-CG 3.74Å; C96-W107 HydrophobicContact CB-CH2 3.76Å; C96-W107 HydrophobicContact CB-CZ2 3.42Å; C96-W107 VanDerWaalsContact CB-CZ2 3.42Å; C96-W107 HydrophobicContact CB-CZ3 3.84Å; C96-W107 WeakPolarHBondContact CB-O 3.44Å; C96-W107 PolarHBondContact N-O 3.29Å; C96-W107 PolarHBondContact O-N 3.24Å; C96-W107 PolarHBondContact SG-NE1 3.4Å
97V98.7Very high97.5Very high64 Ų6463 Ų6339%0.38832%0.315SS..EExtended strand (participates in β ladder)trans-114.9127.5171.7179.50000108.5T85 V86 K99T85-V97 WeakPolarHBondContact CA-O 2.98Å; V86-V97 HydrophobicContact CG1-CB 4.35Å; V86-V97 PolarHBondContact N-O 3.17Å; V86-V97 VanDerWaalsContact N-O 3.1Å; V86-V97 PolarHBondContact O-N 2.92Å; V97-K99 HydrophobicContact CG1-CG 4.07Å
98Q98.6Very high97.5Very high10 Ų1064.8 Ų64.85%0.04733%0.326CS..EExtended strand (participates in β ladder)trans-114.696.7178.4-63.5-177.5-49.800109.4E73 V83 T85 R105E73-Q98 VanDerWaalsContact CD-NE2 3.34Å; E73-Q98 PolarHBondContact OE1-NE2 3.12Å; E73-Q98 PolarHBondContact OE2-NE2 2.93Å; V83-Q98 HydrophobicContact CB-CB 4.38Å; V83-Q98 HydrophobicContact CG2-CB 4.13Å; V83-Q98 HydrophobicContact CG2-CG 4.42Å; T85-Q98 HydrophobicContact CG2-CG 4.07Å; Q98-R105 HydrophobicContact CB-CB 4.38Å; Q98-R105 HydrophobicContact CB-CG 3.95Å; Q98-R105 PolarHBondContact N-O 3.32Å
99K98.4Very high97.5Very high115 Ų11561.6 Ų61.650%0.531%0.309SS..EExtended strand (participates in β ladder)trans-82.1128.1179.8-60.8174.1-165147.90110.5E70 V83 Q84 V97E70-K99 IonicContact OE1-NZ 2.71Å; E70-K99 PolarHBondContact OE1-NZ 2.96Å; V83-K99 WeakPolarHBondContact CA-O 3.19Å; V83-K99 WeakPolarHBondContact CB-O 3.48Å; Q84-K99 HydrophobicContact CB-CB 4.41Å; Q84-K99 PolarHBondContact N-O 2.7Å; Q84-K99 PolarHBondContact O-N 2.79Å; V97-K99 HydrophobicContact CG1-CG 4.07Å
100G96.9Very high97.6Very high49 Ų4960.4 Ų60.451%0.50530%0.304SS..SBendtrans-178.1-146.3176.600000111.7K102G100-K102 VanDerWaalsContact C-N 3.3Å; G100-K102 PolarHBondContact O-N 2.74Å
101E96.1Very high97.7Very high147 Ų14757.7 Ų57.769%0.68729%0.29SS*.SBendtrans-59.9-38-179.9-170.9-162.4164.700112.9R81R81-E101 IonicContact CZ-OE2 2.73Å; R81-E101 IonicContact NE-OE2 3.69Å; R81-E101 PolarHBondContact NE-OE2 3.32Å; R81-E101 IonicContact NH2-OE2 3.91Å
102K97.3Very high97.8Very high35 Ų3554.7 Ų54.715%0.15228%0.276CS..SBendtrans-89.2127.8-177-68-70.4172.4175.20111A23 G100 R105 E123A23-K102 WeakPolarHBondContact O-CD 3.29Å; A23-K102 WeakPolarHBondContact O-CE 3.29Å; A23-K102 PolarHBondContact O-NZ 3Å; G100-K102 VanDerWaalsContact C-N 3.3Å; G100-K102 PolarHBondContact O-N 2.74Å; K102-R105 HydrophobicContact CB-CB 4.29Å; K102-E123 HydrophobicContact CD-CG 4.43Å; K102-E123 WeakPolarHBondContact CD-OE1 3.42Å; K102-E123 IonicContact NZ-OE1 3.7Å; K102-E123 PolarHBondContact NZ-OE1 3.29Å
103K97.6Very high97.8Very high174 Ų17455.1 Ų55.176%0.75730%0.297SS*.THydrogen-bonded Turntrans-72.1152.5176.1-64.3-178.5-178.8178.40110.3R105 E123K103-R105 PolarHBondContact O-N 3.33Å; K103-R105 VanDerWaalsContact O-N 3.16Å; K103-E123 WeakPolarHBondContact O-CA 3.46Å; K103-E123 PolarHBondContact O-N 3.3Å
104N97.8Very high97.7Very high109 Ų10955.3 Ų55.358%0.58330%0.302SS*.THydrogen-bonded Turntrans48.343.9175.2-169.241.2000112.7T121 C122 E123N104-T121 CarbonylContact O-C 3.58Å; N104-T121 VanDerWaalsContact O-C 3.25Å; N104-T121 PolarHBondContact O-OG1 3Å; N104-C122 VanDerWaalsContact O-CA 3.3Å; N104-C122 WeakPolarHBondContact O-CA 3.22Å; N104-C122 PolarHBondContact O-N 3.32Å; N104-E123 PolarHBondContact ND2-O 3.43Å
105R98.5Very high97.7Very high14 Ų1458.5 Ų58.55%0.05332%0.317CS..  trans-98.1128.6180-175-168.4172.3148.19.5109.5D79 Q98 K102 K103 T121D79-R105 IonicContact OD1-CZ 2.67Å; D79-R105 IonicContact OD1-NH1 3.4Å; D79-R105 IonicContact OD1-NH2 2.79Å; D79-R105 PolarHBondContact OD1-NH2 2.73Å; D79-R105 IonicContact OD2-CZ 2.74Å; D79-R105 IonicContact OD2-NH1 2.85Å; D79-R105 PolarHBondContact OD2-NH1 2.92Å; D79-R105 IonicContact OD2-NH2 3.73Å; D79-R105 PolarHBondContact OD2-NH2 3.37Å; Q98-R105 HydrophobicContact CB-CB 4.38Å; Q98-R105 HydrophobicContact CB-CG 3.95Å; Q98-R105 PolarHBondContact N-O 3.32Å; K102-R105 HydrophobicContact CB-CB 4.29Å; K103-R105 PolarHBondContact O-N 3.33Å; K103-R105 VanDerWaalsContact O-N 3.16Å; R105-T121 VanDerWaalsContact CA-O 3.31Å; R105-T121 WeakPolarHBondContact CA-O 3.36Å
106G98.5Very high97.7Very high2 Ų256.6 Ų56.62%0.02131%0.305CS..EExtended strand (participates in β ladder)trans173.9-172.9-18000000111.8C96 T121C96-G106 CarbonylContact O-C 3.56Å; C96-G106 WeakPolarHBondContact O-CA 3.47Å; G106-T121 PolarHBondContact N-O 2.81Å; G106-T121 VanDerWaalsContact N-O 3.14Å; G106-T121 PolarHBondContact N-OG1 3.3Å; G106-T121 PolarHBondContact O-N 3.02Å; G106-T121 PolarHBondContact O-OG1 3.2Å
107W98.7Very high97.7Very high22 Ų2258.7 Ų58.78%0.08331%0.313CS..EExtended strand (participates in β ladder)trans-152.4155.3176.255.1-103.1000112.4I52 F65 V87 L94 C96 H109 L118 E119 L120I52-W107 HydrophobicContact CD1-CH2 4.25Å; F65-W107 HydrophobicContact CE1-CH2 4.31Å; F65-W107 HydrophobicContact CE1-CZ2 4.4Å; F65-W107 HydrophobicContact CZ-CH2 4.1Å; V87-W107 HydrophobicContact CG1-CH2 3.86Å; V87-W107 HydrophobicContact CG1-CZ3 4.34Å; V87-W107 HydrophobicContact CG2-CH2 4.03Å; V87-W107 HydrophobicContact CG2-CZ2 3.99Å; L94-W107 HydrophobicContact CB-CZ3 4.03Å; C96-W107 HydrophobicContact CB-CD2 3.25Å; C96-W107 HydrophobicContact CB-CE3 3.62Å; C96-W107 HydrophobicContact CB-CG 3.74Å; C96-W107 HydrophobicContact CB-CH2 3.76Å; C96-W107 HydrophobicContact CB-CZ2 3.42Å; C96-W107 VanDerWaalsContact CB-CZ2 3.42Å; C96-W107 HydrophobicContact CB-CZ3 3.84Å; C96-W107 WeakPolarHBondContact CB-O 3.44Å; C96-W107 PolarHBondContact N-O 3.29Å; C96-W107 PolarHBondContact O-N 3.24Å; C96-W107 PolarHBondContact SG-NE1 3.4Å; W107-H109 AromaticContact CD2-ND1 3.96Å; W107-H109 AromaticContact CE3-CE1 3.84Å; W107-H109 AromaticContact CE3-ND1 3.11Å; W107-H109 AromaticContact CH2-ND1 3.94Å; W107-H109 HydrophobicContact CZ3-CB 4.37Å; W107-H109 AromaticContact CZ3-ND1 3.12Å; W107-H109 WeakPolarHBondContact CZ3-ND1 3.37Å; W107-L118 HydrophobicContact CB-CD1 3.78Å; W107-L118 HydrophobicContact CG-CD1 4.41Å; W107-E119 CarbonylContact C-O 3.53Å; W107-E119 WeakPolarHBondContact CA-O 3.49Å; W107-E119 WeakPolarHBondContact CB-O 3.37Å; W107-L120 HydrophobicContact CB-CD2 3.82Å
108T98.8Very high97.7Very high36 Ų3655.8 Ų55.822%0.22130%0.295CS..EExtended strand (participates in β ladder)trans-128.1127174.2-57.60000110K93 L94 V95 W110 L118 E119K93-T108 HydrophobicContact CB-CG2 4.04Å; K93-T108 HydrophobicContact CD-CG2 4.17Å; L94-T108 CarbonylContact O-C 3.6Å; L94-T108 VanDerWaalsContact O-CA 3.27Å; L94-T108 WeakPolarHBondContact O-CA 3.43Å; V95-T108 HydrophobicContact CG2-CG2 3.94Å; T108-W110 HydrophobicContact CG2-CE3 4.17Å; T108-L118 WeakPolarHBondContact O-CA 3.37Å; T108-E119 PolarHBondContact N-O 3.23Å; T108-E119 PolarHBondContact O-N 2.92Å
109H98.4Very high97.7Very high4 Ų458 Ų582%0.01931%0.306CS..EExtended strand (participates in β ladder)trans-109.5138.7171.4-76.8103.8000111.3Y5 K93 L94 W107 L116 Y117Y5-H109 HydrophobicContact CE1-CB 3.89Å; Y5-H109 PolarHBondContact OH-O 2.91Å; K93-H109 WeakPolarHBondContact CA-O 3.33Å; L94-H109 HydrophobicContact CB-CB 4.33Å; L94-H109 PolarHBondContact N-O 3.22Å; L94-H109 PolarHBondContact O-N 2.86Å; W107-H109 AromaticContact CD2-ND1 3.96Å; W107-H109 AromaticContact CE3-CE1 3.84Å; W107-H109 AromaticContact CE3-ND1 3.11Å; W107-H109 AromaticContact CH2-ND1 3.94Å; W107-H109 HydrophobicContact CZ3-CB 4.37Å; W107-H109 AromaticContact CZ3-ND1 3.12Å; W107-H109 WeakPolarHBondContact CZ3-ND1 3.37Å; H109-L116 HydrophobicContact CB-CD1 4.16Å; H109-Y117 VanDerWaalsContact CA-O 3.26Å; H109-Y117 WeakPolarHBondContact CA-O 3.39Å; H109-Y117 PolarHBondContact CD2-O 2.77Å
110W98.4Very high97.7Very high39 Ų3953.4 Ų53.415%0.14829%0.287CS..EExtended strand (participates in β ladder)trans-147.9158.5171.572.1102.1000110.9Y5 K93 T108 E112 Y117 E119Y5-W110 WeakPolarHBondContact OH-CA 3.31Å; K93-W110 HydrophobicContact CB-CB 4.23Å; K93-W110 HydrophobicContact CD-CB 4.02Å; K93-W110 HydrophobicContact CD-CG 4.38Å; K93-W110 HydrophobicContact CG-CB 3.72Å; T108-W110 HydrophobicContact CG2-CE3 4.17Å; W110-E112 PolarHBondContact NE1-OE1 2.85Å; W110-Y117 VanDerWaalsContact CD2-CB 3.43Å; W110-Y117 HydrophobicContact CD2-CG 4.25Å; W110-Y117 AromaticContact CE2-CG 3.58Å; W110-Y117 HydrophobicContact CH2-CD1 4.37Å; W110-Y117 HydrophobicContact CH2-CG 4.38Å; W110-Y117 AromaticContact CZ2-CD1 3.66Å; W110-Y117 HydrophobicContact CZ2-CD1 3.66Å; W110-Y117 AromaticContact CZ2-CG 3.67Å; W110-Y117 HydrophobicContact CZ2-CG 3.67Å; W110-Y117 PolarHBondContact N-O 3.14Å; W110-Y117 VanDerWaalsContact N-O 3.16Å; W110-Y117 AromaticContact NE1-CD2 3.91Å; W110-Y117 AromaticContact NE1-CG 3.68Å; W110-Y117 PolarHBondContact O-N 2.68Å; W110-E119 HydrophobicContact CH2-CB 4.35Å; W110-E119 HydrophobicContact CZ3-CB 3.98Å
111I97.9Very high97.8Very high28 Ų2852.3 Ų52.314%0.14427%0.27CS..EExtended strand (participates in β ladder)trans-114.2130.9-178.5-68.7171.9000109I3 Y5 W9 E115 L116I3-I111 HydrophobicContact CG2-CD1 3.98Å; Y5-I111 HydrophobicContact CD1-CD1 3.65Å; Y5-I111 HydrophobicContact CD1-CG1 4.01Å; Y5-I111 HydrophobicContact CD2-CD1 4.13Å; Y5-I111 HydrophobicContact CE1-CD1 3.96Å; Y5-I111 HydrophobicContact CE1-CG1 3.88Å; Y5-I111 HydrophobicContact CE2-CD1 4.39Å; Y5-I111 HydrophobicContact CG-CD1 3.77Å; W9-I111 HydrophobicContact CH2-CD1 3.89Å; W9-I111 HydrophobicContact CH2-CG1 4.22Å; W9-I111 HydrophobicContact CZ2-CD1 3.89Å; I111-E115 WeakPolarHBondContact CA-O 3.17Å; I111-L116 HydrophobicContact CG1-CD1 3.92Å
112E96.7Very high97.9Very high109 Ų10945.3 Ų45.351%0.50924%0.237SC..EExtended strand (participates in β ladder)trans-127.3113168.5-57.4-177.9-168.600108.5W110 N114 E115 Y117W110-E112 PolarHBondContact NE1-OE1 2.85Å; E112-N114 PolarHBondContact O-N 3.05Å; E112-N114 VanDerWaalsContact O-N 3.13Å; E112-E115 PolarHBondContact N-O 3.35Å; E112-E115 PolarHBondContact O-N 2.97Å; E112-E115 VanDerWaalsContact O-N 3.1Å; E112-Y117 HydrophobicContact CB-CD2 4.31Å; E112-Y117 HydrophobicContact CB-CE2 3.79Å; E112-Y117 HydrophobicContact CG-CD2 4.28Å; E112-Y117 HydrophobicContact CG-CE2 4.11Å
113G94.6Very high98Very high80 Ų8047.3 Ų47.383%0.82525%0.247SC*.THydrogen-bonded Turntrans60.9-114.8-17600000112.6
114N94.8Very high98Very high81 Ų8144.6 Ų44.643%0.43324%0.241SC..THydrogen-bonded Turntrans-106.618.9-179.7-161.247.7000113.2E112 K133E112-N114 PolarHBondContact O-N 3.05Å; E112-N114 VanDerWaalsContact O-N 3.13Å; N114-K133 PolarHBondContact O-N 3.15Å; N114-K133 WeakPolarHBondContact OD1-CB 3.44Å
115E97.9Very high98Very high68 Ų6843.2 Ų43.232%0.31823%0.23SC..EExtended strand (participates in β ladder)trans-119.9137.1-177.8-64.4-176.3146.300110.9I111 E112 Y117 I130 Y131I111-E115 WeakPolarHBondContact CA-O 3.17Å; E112-E115 PolarHBondContact N-O 3.35Å; E112-E115 PolarHBondContact O-N 2.97Å; E112-E115 VanDerWaalsContact O-N 3.1Å; E115-Y117 HydrophobicContact CB-CD2 4.25Å; E115-Y117 HydrophobicContact CB-CE2 3.61Å; E115-Y117 PolarHBondContact OE2-OH 3.33Å; E115-I130 HydrophobicContact CB-CG2 4.19Å; E115-I130 HydrophobicContact CG-CG2 4.35Å; E115-Y131 CarbonylContact C-O 3.51Å; E115-Y131 WeakPolarHBondContact CA-O 3.5Å
116L98.5Very high98Very high0 Ų045.3 Ų45.30%024%0.244CC..EExtended strand (participates in β ladder)trans-102.1118.9170.3170.772000107.8Y5 W9 K41 I43 H109 I111 Y131Y5-L116 HydrophobicContact CD1-CD1 3.73Å; Y5-L116 HydrophobicContact CE1-CD1 3.74Å; W9-L116 HydrophobicContact CB-CD2 4.11Å; W9-L116 HydrophobicContact CD2-CB 3.68Å; W9-L116 HydrophobicContact CD2-CD2 3.97Å; W9-L116 HydrophobicContact CD2-CG 4.44Å; W9-L116 HydrophobicContact CE3-CB 3.4Å; W9-L116 VanDerWaalsContact CE3-CB 3.4Å; W9-L116 HydrophobicContact CG-CB 4.25Å; W9-L116 HydrophobicContact CG-CD2 3.75Å; W9-L116 HydrophobicContact CH2-CB 4.27Å; W9-L116 HydrophobicContact CZ3-CB 3.72Å; K41-L116 HydrophobicContact CD-CD2 4.15Å; I43-L116 HydrophobicContact CD1-CD2 3.73Å; H109-L116 HydrophobicContact CB-CD1 4.16Å; I111-L116 HydrophobicContact CG1-CD1 3.92Å; L116-Y131 PolarHBondContact N-O 3.45Å; L116-Y131 PolarHBondContact O-N 2.96Å
117Y98.6Very high98Very high46 Ų4645.2 Ų45.218%0.1824%0.243CC..EExtended strand (participates in β ladder)trans-95.2144.1176.3-69.4-103.3000109.7H109 W110 E112 E115 I130H109-Y117 VanDerWaalsContact CA-O 3.26Å; H109-Y117 WeakPolarHBondContact CA-O 3.39Å; H109-Y117 PolarHBondContact CD2-O 2.77Å; W110-Y117 VanDerWaalsContact CD2-CB 3.43Å; W110-Y117 HydrophobicContact CD2-CG 4.25Å; W110-Y117 AromaticContact CE2-CG 3.58Å; W110-Y117 HydrophobicContact CH2-CD1 4.37Å; W110-Y117 HydrophobicContact CH2-CG 4.38Å; W110-Y117 AromaticContact CZ2-CD1 3.66Å; W110-Y117 HydrophobicContact CZ2-CD1 3.66Å; W110-Y117 AromaticContact CZ2-CG 3.67Å; W110-Y117 HydrophobicContact CZ2-CG 3.67Å; W110-Y117 PolarHBondContact N-O 3.14Å; W110-Y117 VanDerWaalsContact N-O 3.16Å; W110-Y117 AromaticContact NE1-CD2 3.91Å; W110-Y117 AromaticContact NE1-CG 3.68Å; W110-Y117 PolarHBondContact O-N 2.68Å; E112-Y117 HydrophobicContact CB-CD2 4.31Å; E112-Y117 HydrophobicContact CB-CE2 3.79Å; E112-Y117 HydrophobicContact CG-CD2 4.28Å; E112-Y117 HydrophobicContact CG-CE2 4.11Å; E115-Y117 HydrophobicContact CB-CD2 4.25Å; E115-Y117 HydrophobicContact CB-CE2 3.61Å; E115-Y117 PolarHBondContact OE2-OH 3.33Å; Y117-I130 HydrophobicContact CD1-CD1 4.41Å; Y117-I130 HydrophobicContact CD1-CG1 4.02Å; Y117-I130 HydrophobicContact CE1-CD1 3.88Å; Y117-I130 HydrophobicContact CE1-CG1 3.97Å; Y117-I130 HydrophobicContact CE1-CG2 4.49Å
118L98.8Very high98Very high3 Ų349 Ų492%0.01626%0.26CS..EExtended strand (participates in β ladder)trans-137.3121.2176167.157.5000109.5W107 T108 L120 K128 Q129 Y131W107-L118 HydrophobicContact CB-CD1 3.78Å; W107-L118 HydrophobicContact CG-CD1 4.41Å; T108-L118 WeakPolarHBondContact O-CA 3.37Å; L118-L120 HydrophobicContact CD1-CD2 3.92Å; L118-L120 HydrophobicContact CD1-CG 4.16Å; L118-L120 HydrophobicContact CD2-CD1 4.47Å; L118-L120 HydrophobicContact CD2-CD2 4.12Å; L118-L120 HydrophobicContact CD2-CG 4.22Å; L118-L120 HydrophobicContact CG-CD2 4.2Å; L118-L120 HydrophobicContact CG-CG 4.04Å; L118-K128 CarbonylContact O-C 3.49Å; L118-K128 WeakPolarHBondContact O-CA 3.36Å; L118-Q129 HydrophobicContact CB-CB 4.09Å; L118-Q129 VanDerWaalsContact CD2-OE1 3.27Å; L118-Q129 HydrophobicContact CG-CB 4.42Å; L118-Q129 PolarHBondContact N-O 3.43Å; L118-Q129 PolarHBondContact O-N 2.86Å; L118-Y131 HydrophobicContact CB-CE2 4.28Å; L118-Y131 HydrophobicContact CD2-CE2 4.27Å
119E98.8Very high98Very high57 Ų5747.9 Ų47.927%0.26625%0.252SS..EExtended strand (participates in β ladder)trans-105.5122.8166.9-170.6169.9118.400109.8W107 T108 W110 T121 V126 C127W107-E119 CarbonylContact C-O 3.53Å; W107-E119 WeakPolarHBondContact CA-O 3.49Å; W107-E119 WeakPolarHBondContact CB-O 3.37Å; T108-E119 PolarHBondContact N-O 3.23Å; T108-E119 PolarHBondContact O-N 2.92Å; W110-E119 HydrophobicContact CH2-CB 4.35Å; W110-E119 HydrophobicContact CZ3-CB 3.98Å; E119-T121 HydrophobicContact CG-CG2 4.49Å; E119-V126 VanDerWaalsContact CD-CG1 3.4Å; E119-V126 HydrophobicContact CG-CG1 3.38Å; E119-C127 CarbonylContact C-O 3.51Å; E119-C127 WeakPolarHBondContact CA-O 3.09Å
120L98.7Very high98Very high19 Ų1949.6 Ų49.610%0.09926%0.261CS..EExtended strand (participates in β ladder)trans-104.6131.5176.2-63.4165000108.8Y20 W107 L118 V126 C127Y20-L120 HydrophobicContact CD1-CD1 4.37Å; Y20-L120 HydrophobicContact CD2-CB 4.11Å; Y20-L120 HydrophobicContact CE1-CB 4.29Å; Y20-L120 HydrophobicContact CE1-CD1 4.1Å; Y20-L120 HydrophobicContact CE2-CB 3.83Å; Y20-L120 HydrophobicContact CG-CB 4.46Å; W107-L120 HydrophobicContact CB-CD2 3.82Å; L118-L120 HydrophobicContact CD1-CD2 3.92Å; L118-L120 HydrophobicContact CD1-CG 4.16Å; L118-L120 HydrophobicContact CD2-CD1 4.47Å; L118-L120 HydrophobicContact CD2-CD2 4.12Å; L118-L120 HydrophobicContact CD2-CG 4.22Å; L118-L120 HydrophobicContact CG-CD2 4.2Å; L118-L120 HydrophobicContact CG-CG 4.04Å; L120-V126 CarbonylContact O-C 3.56Å; L120-V126 WeakPolarHBondContact O-CA 3.15Å; L120-C127 HydrophobicContact CB-CB 4.14Å; L120-C127 HydrophobicContact CD1-CB 4.42Å; L120-C127 PolarHBondContact N-O 2.69Å; L120-C127 PolarHBondContact O-N 3.01Å
121T98.7Very high98Very high25 Ų2547.8 Ų47.815%0.15325%0.254CS..EExtended strand (participates in β ladder)trans-121.7139.3179.256.80000111.1N104 R105 G106 E119 K125 V126N104-T121 CarbonylContact O-C 3.58Å; N104-T121 VanDerWaalsContact O-C 3.25Å; N104-T121 PolarHBondContact O-OG1 3Å; R105-T121 VanDerWaalsContact CA-O 3.31Å; R105-T121 WeakPolarHBondContact CA-O 3.36Å; G106-T121 PolarHBondContact N-O 2.81Å; G106-T121 VanDerWaalsContact N-O 3.14Å; G106-T121 PolarHBondContact N-OG1 3.3Å; G106-T121 PolarHBondContact O-N 3.02Å; G106-T121 PolarHBondContact O-OG1 3.2Å; E119-T121 HydrophobicContact CG-CG2 4.49Å; T121-K125 WeakPolarHBondContact CA-O 3.43Å; T121-V126 HydrophobicContact CG2-CG2 4.33Å
122C98.6Very high98Very high0 Ų051.9 Ų51.90%027%0.271CS..EExtended strand (participates in β ladder)trans-156.1124.4169.2179.50000108.6Y20 A23 L24 N104 D124 K125Y20-C122 HydrophobicContact CD2-CB 3.74Å; Y20-C122 HydrophobicContact CE2-CB 3.52Å; A23-C122 HydrophobicContact CB-CB 4.31Å; L24-C122 HydrophobicContact CD2-CB 4.27Å; N104-C122 VanDerWaalsContact O-CA 3.3Å; N104-C122 WeakPolarHBondContact O-CA 3.22Å; N104-C122 PolarHBondContact O-N 3.32Å; C122-D124 PolarHBondContact O-N 3.04Å; C122-K125 PolarHBondContact N-O 2.92Å; C122-K125 WeakPolarHBondContact O-CB 3.21Å; C122-K125 PolarHBondContact O-N 3.33Å
123E97.9Very high98Very high78 Ų7850 Ų5036%0.36426%0.261SS..THydrogen-bonded Turntrans54.1-121.8-174.6-59.2175.3-178.900111K102 K103 N104K102-E123 HydrophobicContact CD-CG 4.43Å; K102-E123 WeakPolarHBondContact CD-OE1 3.42Å; K102-E123 IonicContact NZ-OE1 3.7Å; K102-E123 PolarHBondContact NZ-OE1 3.29Å; K103-E123 WeakPolarHBondContact O-CA 3.46Å; K103-E123 PolarHBondContact O-N 3.3Å; N104-E123 PolarHBondContact ND2-O 3.43Å
124D97.8Very high97.9Very high117 Ų11747.9 Ų47.963%0.62623%0.234SC*.THydrogen-bonded Turntrans-93.34.3176.873-39.5000113.1C122C122-D124 PolarHBondContact O-N 3.04Å
125K98.6Very high96.9Very high80 Ų8052.3 Ų52.335%0.34828%0.281SS..EExtended strand (participates in β ladder)trans-100.4139.6-175-55.2-52178.9-149.90111.9A23 T121 C122A23-K125 HydrophobicContact CB-CB 4.24Å; A23-K125 HydrophobicContact CB-CG 3.78Å; T121-K125 WeakPolarHBondContact CA-O 3.43Å; C122-K125 PolarHBondContact N-O 2.92Å; C122-K125 WeakPolarHBondContact O-CB 3.21Å; C122-K125 PolarHBondContact O-N 3.33Å
126V98.6Very high96.8Very high57 Ų5751.5 Ų51.535%0.34528%0.28SS..EExtended strand (participates in β ladder)trans-126.2127.3175.1-175.20000108H16 E119 L120 T121 K128H16-V126 VanDerWaalsContact CB-O 3.26Å; H16-V126 WeakPolarHBondContact CB-O 3.03Å; E119-V126 VanDerWaalsContact CD-CG1 3.4Å; E119-V126 HydrophobicContact CG-CG1 3.38Å; L120-V126 CarbonylContact O-C 3.56Å; L120-V126 WeakPolarHBondContact O-CA 3.15Å; T121-V126 HydrophobicContact CG2-CG2 4.33Å; V126-K128 HydrophobicContact CG1-CG 4.39Å
127C98.6Very high96.7Very high0 Ų054.2 Ų54.20%029%0.294CS..EExtended strand (participates in β ladder)trans-114.2137.8171.3164.60000109N14 E15 Y20 E119 L120N14-C127 PolarHBondContact OD1-SG 2.78Å; E15-C127 WeakPolarHBondContact O-CA 3.33Å; E15-C127 PolarHBondContact O-SG 3.02Å; Y20-C127 HydrophobicContact CG-CB 4.11Å; E119-C127 CarbonylContact C-O 3.51Å; E119-C127 WeakPolarHBondContact CA-O 3.09Å; L120-C127 HydrophobicContact CB-CB 4.14Å; L120-C127 HydrophobicContact CD1-CB 4.42Å; L120-C127 PolarHBondContact N-O 2.69Å; L120-C127 PolarHBondContact O-N 3.01Å
128K98.6Very high96.6Very high103 Ų10354.7 Ų54.745%0.44830%0.301SS..EExtended strand (participates in β ladder)trans-119.3127.5-177.1-64.2-177.1178.1-177.10109.9E15 L118 V126E15-K128 HydrophobicContact CB-CB 4.46Å; E15-K128 PolarHBondContact N-O 3.48Å; E15-K128 PolarHBondContact O-N 3.27Å; L118-K128 CarbonylContact O-C 3.49Å; L118-K128 WeakPolarHBondContact O-CA 3.36Å; V126-K128 HydrophobicContact CG1-CG 4.39Å
129Q98.6Very high96.5Very high11 Ų1157.7 Ų57.75%0.05132%0.317CS..EExtended strand (participates in β ladder)trans-125.1142.2-179.7-68.3177.7-8.700109.5M11 S13 N14 L118 Y131M11-Q129 HydrophobicContact CE-CB 4.28Å; M11-Q129 VanDerWaalsContact CE-CD 3.45Å; M11-Q129 HydrophobicContact CE-CG 3.92Å; S13-Q129 WeakPolarHBondContact O-CA 3.44Å; N14-Q129 HydrophobicContact CB-CG 4.35Å; N14-Q129 WeakPolarHBondContact OD1-CG 3.47Å; N14-Q129 PolarHBondContact OD1-NE2 2.88Å; L118-Q129 HydrophobicContact CB-CB 4.09Å; L118-Q129 VanDerWaalsContact CD2-OE1 3.27Å; L118-Q129 HydrophobicContact CG-CB 4.42Å; L118-Q129 PolarHBondContact N-O 3.43Å; L118-Q129 PolarHBondContact O-N 2.86Å; Q129-Y131 HydrophobicContact CB-CD2 4.42Å; Q129-Y131 HydrophobicContact CB-CE2 3.69Å; Q129-Y131 PolarHBondContact OE1-OH 3.03Å
130I98.6Very high96.4Very high40 Ų4057.8 Ų57.821%0.20532%0.321CS..EExtended strand (participates in β ladder)trans-124135.3174-52.4176.4000107.2T12 S13 E115 Y117T12-I130 PolarHBondContact N-O 3.26Å; T12-I130 PolarHBondContact OG1-O 3.07Å; S13-I130 PolarHBondContact N-O 3.29Å; S13-I130 PolarHBondContact O-N 3.42Å; E115-I130 HydrophobicContact CB-CG2 4.19Å; E115-I130 HydrophobicContact CG-CG2 4.35Å; Y117-I130 HydrophobicContact CD1-CD1 4.41Å; Y117-I130 HydrophobicContact CD1-CG1 4.02Å; Y117-I130 HydrophobicContact CE1-CD1 3.88Å; Y117-I130 HydrophobicContact CE1-CG1 3.97Å; Y117-I130 HydrophobicContact CE1-CG2 4.49Å
131Y98.6Very high96.2Very high1 Ų160.3 Ų60.30%0.00434%0.335CS..EExtended strand (participates in β ladder)trans-124.5146.5174.8-60-106.1000109.2W9 D10 M11 P39 K41 E115 L116 L118 Q129W9-Y131 HydrophobicContact CB-CD1 4.36Å; W9-Y131 HydrophobicContact CB-CG 4.36Å; D10-Y131 CarbonylContact O-C 3.52Å; D10-Y131 VanDerWaalsContact O-CA 3.23Å; D10-Y131 WeakPolarHBondContact O-CA 3.31Å; M11-Y131 VanDerWaalsContact CA-CD1 3.46Å; M11-Y131 HydrophobicContact CB-CD1 3.77Å; M11-Y131 HydrophobicContact CB-CE1 3.59Å; M11-Y131 HydrophobicContact CE-CE1 3.93Å; M11-Y131 HydrophobicContact CE-CE2 4.18Å; M11-Y131 VanDerWaalsContact CE-CZ 3.44Å; M11-Y131 WeakPolarHBondContact CE-OH 3.34Å; M11-Y131 HydrophobicContact CG-CE1 4.24Å; M11-Y131 VanDerWaalsContact N-CD1 3.33Å; P39-Y131 WeakPolarHBondContact O-CE1 3.28Å; K41-Y131 HydrophobicContact CB-CE1 4.49Å; K41-Y131 HydrophobicContact CD-CD1 4.33Å; K41-Y131 HydrophobicContact CD-CD2 4.4Å; K41-Y131 HydrophobicContact CD-CE1 3.92Å; K41-Y131 HydrophobicContact CD-CE2 3.99Å; K41-Y131 WeakPolarHBondContact CE-OH 3.23Å; K41-Y131 HydrophobicContact CG-CD1 4.34Å; K41-Y131 HydrophobicContact CG-CE1 3.83Å; E115-Y131 CarbonylContact C-O 3.51Å; E115-Y131 WeakPolarHBondContact CA-O 3.5Å; L116-Y131 PolarHBondContact N-O 3.45Å; L116-Y131 PolarHBondContact O-N 2.96Å; L118-Y131 HydrophobicContact CB-CE2 4.28Å; L118-Y131 HydrophobicContact CD2-CE2 4.27Å; Q129-Y131 HydrophobicContact CB-CD2 4.42Å; Q129-Y131 HydrophobicContact CB-CE2 3.69Å; Q129-Y131 PolarHBondContact OE1-OH 3.03Å
132K98.1Very high96Very high114 Ų11462.9 Ų62.950%0.49635%0.348SS..EExtended strand (participates in β ladder)trans-106.4138.7173-172.2174.3-178.9177.20109.4W9 D10 T12 S134W9-K132 CarbonylContact C-O 3.54Å; W9-K132 WeakPolarHBondContact CA-O 3.47Å; D10-K132 PolarHBondContact N-O 3.34Å; D10-K132 PolarHBondContact O-N 2.65Å; T12-K132 HydrophobicContact CG2-CB 3.8Å; K132-S134 PolarHBondContact O-N 2.94Å
133K97.3Very high95.8Very high69 Ų6967.7 Ų67.730%0.338%0.375SS..EExtended strand (participates in β ladder)trans-61128.8175.3-152.5167.6-172.7159.20109.5S6 T8 W9 N114S6-K133 WeakPolarHBondContact O-CE 3.35Å; S6-K133 PolarHBondContact O-NZ 3.34Å; T8-K133 WeakPolarHBondContact O-CA 3.32Å; W9-K133 HydrophobicContact CD2-CB 4.38Å; W9-K133 HydrophobicContact CD2-CG 4.24Å; W9-K133 HydrophobicContact CE3-CB 3.7Å; W9-K133 HydrophobicContact CE3-CG 4.02Å; W9-K133 HydrophobicContact CH2-CB 4.11Å; W9-K133 HydrophobicContact CH2-CD 3.76Å; W9-K133 HydrophobicContact CH2-CG 4Å; W9-K133 HydrophobicContact CZ2-CD 4.02Å; W9-K133 HydrophobicContact CZ2-CG 4.21Å; W9-K133 HydrophobicContact CZ3-CB 3.54Å; W9-K133 HydrophobicContact CZ3-CD 4.11Å; W9-K133 HydrophobicContact CZ3-CG 3.89Å; N114-K133 PolarHBondContact O-N 3.15Å; N114-K133 WeakPolarHBondContact OD1-CB 3.44Å
134S92.3Very high95.7Very high36 Ų3666.8 Ų66.825%0.25238%0.376SS..  trans-62.1146.2170.8-47.10000109T8 D10 K132T8-S134 WeakPolarHBondContact CB-OG 3.5Å; T8-S134 VanDerWaalsContact CG2-OG 3.3Å; T8-S134 WeakPolarHBondContact CG2-OG 3.47Å; T8-S134 PolarHBondContact O-N 3.15Å; T8-S134 PolarHBondContact O-OG 3.33Å; D10-S134 PolarHBondContact OD2-OG 3.19Å; K132-S134 PolarHBondContact O-N 2.94Å
135A72.4Confident95.5Very high174 Ų17462.3 Ų62.3100%1.43835%0.353SS*.  trans-70.4017700000112.1

Retrieved 135 of 135 residues in 1290.8 ms (Link to these results)

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