A0A093HZ78_STRCA Loading...

Fatty acid-binding protein, liver

Binds free fatty acids and their coenzyme A derivatives, bilirubin, and some other small molecules in the cytoplasm. Involved in intracellular lipid transport.

AlphaFold DB , UniProt , Accession A0A093HZ78, Species STRCA (Struthio camelus australis), Gene n/a, Length 127 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
1M57Low85.6Confident170 Ų17058 Ų5884%0.83732%0.317SS*.  0132.10-74168.7-176.300106.5
2S73.6Confident85.8Confident74 Ų7457.5 Ų57.552%0.51731%0.311SS..  trans-92142.3-178.8-40.50000109.3T4S2-T4 PolarHBondContact O-N 2.87Å; S2-T4 VanDerWaalsContact O-N 3.13Å
3F83.8Confident86Confident0 Ų062 Ų620%033%0.329CS..  trans-65.2-12.3171.2-75.7-99.1000112.3G5 Y7 I41 F48 N89 L91 T102 L104 I109F3-G5 PolarHBondContact O-N 3.35Å; F3-Y7 VanDerWaalsContact O-CE2 3.31Å; F3-Y7 WeakPolarHBondContact O-CE2 3.35Å; F3-Y7 PolarHBondContact O-OH 2.76Å; F3-I41 HydrophobicContact CB-CG2 3.95Å; F3-I41 WeakPolarHBondContact O-CB 3.3Å; F3-F48 HydrophobicContact CB-CE1 4.17Å; F3-F48 HydrophobicContact CD2-CE1 4.09Å; F3-F48 HydrophobicContact CG-CE1 4.34Å; F3-N89 VanDerWaalsContact CZ-C 3.44Å; F3-N89 WeakPolarHBondContact CZ-O 3.31Å; F3-L91 HydrophobicContact CD1-CD1 3.92Å; F3-L91 HydrophobicContact CD2-CD1 4.08Å; F3-L91 HydrophobicContact CE1-CD1 3.72Å; F3-L91 HydrophobicContact CE1-CG 4.15Å; F3-L91 HydrophobicContact CE2-CD1 3.92Å; F3-L91 HydrophobicContact CE2-CG 3.93Å; F3-L91 HydrophobicContact CG-CD1 4.08Å; F3-L91 HydrophobicContact CZ-CD1 3.71Å; F3-L91 HydrophobicContact CZ-CG 3.69Å; F3-T102 HydrophobicContact CE1-CG2 4.26Å; F3-L104 HydrophobicContact CD1-CB 3.92Å; F3-L104 HydrophobicContact CD1-CD2 4.24Å; F3-L104 HydrophobicContact CE1-CB 3.49Å; F3-L104 VanDerWaalsContact CE1-CB 3.49Å; F3-L104 HydrophobicContact CE1-CD2 4.48Å; F3-L104 HydrophobicContact CG-CD2 4.27Å; F3-L104 HydrophobicContact CZ-CB 3.91Å; F3-I109 HydrophobicContact CD1-CD1 4.19Å
4T90.1Very high86.1Confident51 Ų5162.7 Ų62.731%0.31333%0.333SS..  trans-52.7117.3-179-56.20000112.5S2 I41 Q43 R126S2-T4 PolarHBondContact O-N 2.87Å; S2-T4 VanDerWaalsContact O-N 3.13Å; T4-I41 CarbonylContact C-O 3.5Å; T4-I41 WeakPolarHBondContact CA-O 3.39Å; T4-Q43 WeakPolarHBondContact OG1-CB 3.37Å; T4-Q43 PolarHBondContact OG1-N 2.73Å; T4-R126 PolarHBondContact O-NH2 2.81Å
5G90.3Very high86Confident15 Ų1560.4 Ų60.416%0.15532%0.319CS..EExtended strand (participates in β ladder)trans164.9169.5-178.800000112.7F3 Y7 E40 I41F3-G5 PolarHBondContact O-N 3.35Å; G5-Y7 WeakPolarHBondContact O-CD2 3.42Å; G5-Y7 VanDerWaalsContact O-CE2 3.28Å; G5-Y7 WeakPolarHBondContact O-CE2 3.33Å; G5-E40 WeakPolarHBondContact O-CA 3.4Å; G5-I41 PolarHBondContact N-O 2.79Å; G5-I41 PolarHBondContact O-N 2.8Å
6K92.6Very high86Confident105 Ų10562.3 Ų62.346%0.45733%0.325SS..EExtended strand (participates in β ladder)trans-99136.1170.2-70.9179.6177.3179.40109.2I38 S39 E40 R126 I127K6-I38 HydrophobicContact CB-CG2 4.46Å; K6-S39 CarbonylContact C-O 3.58Å; K6-E40 WeakPolarHBondContact CE-OE2 3.39Å; K6-E40 HydrophobicContact CG-CB 4.13Å; K6-E40 HydrophobicContact CG-CG 3.97Å; K6-E40 IonicContact NZ-OE2 3.84Å; K6-R126 VanDerWaalsContact O-CA 3.24Å; K6-R126 WeakPolarHBondContact O-CA 3.43Å; K6-R126 WeakPolarHBondContact O-CG 3.47Å; K6-I127 HydrophobicContact CB-CD1 4.32Å; K6-I127 HydrophobicContact CB-CG1 3.81Å; K6-I127 PolarHBondContact O-N 2.72Å
7Y92.4Very high86.1Confident2 Ų261.6 Ų61.61%0.00833%0.326CS..EExtended strand (participates in β ladder)trans-129.4122.1-177.8-55.3-91.5000109.2F3 G5 I38 S39 I41 L104 I109 K125 R126F3-Y7 VanDerWaalsContact O-CE2 3.31Å; F3-Y7 WeakPolarHBondContact O-CE2 3.35Å; F3-Y7 PolarHBondContact O-OH 2.76Å; G5-Y7 WeakPolarHBondContact O-CD2 3.42Å; G5-Y7 VanDerWaalsContact O-CE2 3.28Å; G5-Y7 WeakPolarHBondContact O-CE2 3.33Å; Y7-I38 CarbonylContact O-C 3.59Å; Y7-I38 WeakPolarHBondContact O-CA 3.43Å; Y7-S39 WeakPolarHBondContact CD2-O 3.29Å; Y7-S39 PolarHBondContact N-O 2.83Å; Y7-S39 PolarHBondContact O-N 2.79Å; Y7-I41 HydrophobicContact CD2-CD1 4.13Å; Y7-I41 HydrophobicContact CD2-CG1 4Å; Y7-I41 HydrophobicContact CE2-CB 4.3Å; Y7-I41 HydrophobicContact CE2-CD1 3.88Å; Y7-I41 HydrophobicContact CE2-CG1 3.84Å; Y7-L104 HydrophobicContact CE1-CD1 4.11Å; Y7-I109 HydrophobicContact CD1-CB 4.2Å; Y7-I109 HydrophobicContact CD1-CD1 3.66Å; Y7-I109 HydrophobicContact CD1-CG1 3.72Å; Y7-I109 HydrophobicContact CD2-CD1 3.69Å; Y7-I109 HydrophobicContact CE1-CB 4.43Å; Y7-I109 HydrophobicContact CE1-CD1 3.35Å; Y7-I109 HydrophobicContact CE1-CG1 3.48Å; Y7-I109 VanDerWaalsContact CE1-CG1 3.48Å; Y7-I109 HydrophobicContact CE2-CD1 3.37Å; Y7-I109 HydrophobicContact CE2-CG1 4.41Å; Y7-I109 HydrophobicContact CG-CD1 3.83Å; Y7-I109 HydrophobicContact CG-CG1 4.29Å; Y7-K125 CarbonylContact C-O 3.56Å; Y7-K125 VanDerWaalsContact CA-O 3.31Å; Y7-K125 WeakPolarHBondContact CA-O 3.39Å; Y7-R126 HydrophobicContact CD1-CB 3.93Å; Y7-R126 HydrophobicContact CD1-CG 4.25Å; Y7-R126 HydrophobicContact CE1-CB 3.87Å; Y7-R126 HydrophobicContact CE1-CG 3.94Å
8E92.3Very high86.2Confident44 Ų4458.2 Ų58.221%0.20631%0.308CS..EExtended strand (participates in β ladder)trans-88.7132.4172.9-176.3179.998.100109.7Q10 K36 S124 K125 I127E8-Q10 PolarHBondContact O-N 2.93Å; E8-K36 HydrophobicContact CG-CB 4.24Å; E8-K36 HydrophobicContact CG-CD 4.23Å; E8-K36 IonicContact OE1-NZ 2.69Å; E8-K36 PolarHBondContact OE1-NZ 2.75Å; E8-S124 CarbonylContact O-C 3.46Å; E8-S124 WeakPolarHBondContact O-CA 3.07Å; E8-S124 WeakPolarHBondContact O-CB 3.4Å; E8-K125 PolarHBondContact N-O 2.81Å; E8-K125 PolarHBondContact O-N 3.07Å; E8-I127 HydrophobicContact CB-CD1 4.43Å; E8-I127 HydrophobicContact CB-CG2 3.64Å
9L90.6Very high86.1Confident12 Ų1256.3 Ų56.36%0.06330%0.297CS..EExtended strand (participates in β ladder)trans-58.1120.7171.7-172.168.5000110.8H12 S37 R122L9-H12 HydrophobicContact CD1-CB 4.28Å; L9-S37 WeakPolarHBondContact CB-O 3.4Å; L9-S37 PolarHBondContact N-O 2.75Å; L9-R122 HydrophobicContact CD1-CB 3.95Å; L9-R122 HydrophobicContact CD1-CG 3.86Å
10Q90.9Very high86.1Confident94 Ų9459.4 Ų59.444%0.43931%0.308SS..EExtended strand (participates in β ladder)trans-94.9-46175.4-65-63.3-56.200110.9E8 I123 K125E8-Q10 PolarHBondContact O-N 2.93Å; Q10-I123 WeakPolarHBondContact CB-O 3.24Å; Q10-I123 PolarHBondContact N-O 2.81Å; Q10-K125 HydrophobicContact CG-CB 3.56Å
11S88.5Confident86Confident71 Ų7158.9 Ų58.950%0.49731%0.313SS..EExtended strand (participates in β ladder)trans-157.4155.8-177-660000110.5I123S11-I123 PolarHBondContact N-O 2.86Å; S11-I123 PolarHBondContact O-N 2.91Å
12H87.8Confident87.1Confident52 Ų5252.7 Ų52.724%0.24128%0.283CS..EExtended strand (participates in β ladder)trans-153.4148.9178.565.9133.1000110.6L9 F15 K33 Y120 K121 R122L9-H12 HydrophobicContact CD1-CB 4.28Å; H12-F15 AromaticContact CE1-CD2 3.77Å; H12-F15 AromaticContact CE1-CG 3.52Å; H12-F15 WeakPolarHBondContact ND1-CB 3.45Å; H12-F15 AromaticContact ND1-CD2 3.38Å; H12-F15 WeakPolarHBondContact ND1-CD2 3.37Å; H12-F15 AromaticContact ND1-CG 3.38Å; H12-F15 WeakPolarHBondContact ND1-CG 3.41Å; H12-K33 PolarHBondContact NE2-O 3.08Å; H12-Y120 HydrophobicContact CB-CE2 3.86Å; H12-Y120 AromaticContact ND1-CE2 3.94Å; H12-K121 CarbonylContact C-O 3.58Å; H12-K121 WeakPolarHBondContact CA-O 3.08Å; H12-R122 HydrophobicContact CB-CB 4.07Å
13E88.8Confident87.3Confident116 Ų11652.1 Ų52.154%0.54229%0.289SS..EExtended strand (participates in β ladder)trans-129.4137.4-172.3-63.9-179.484.800108.9F15 Y120 K121E13-F15 VanDerWaalsContact C-N 3.27Å; E13-F15 PolarHBondContact O-N 2.9Å; E13-Y120 WeakPolarHBondContact O-CD2 3.43Å; E13-K121 HydrophobicContact CB-CB 4.44Å; E13-K121 PolarHBondContact N-O 3.17Å; E13-K121 PolarHBondContact O-N 3.2Å; E13-K121 VanDerWaalsContact O-N 3.09Å
14N86.9Confident87.2Confident72 Ų7252.9 Ų52.939%0.38529%0.292SS..SBendtrans65.123.9177.2-13429.9000115.1P17 F18 S119N14-P17 HydrophobicContact CB-CG 4.36Å; N14-P17 WeakPolarHBondContact O-CD 3.4Å; N14-P17 WeakPolarHBondContact OD1-CG 3.33Å; N14-F18 WeakPolarHBondContact O-CB 3.37Å; N14-F18 PolarHBondContact O-N 2.96Å; N14-S119 WeakPolarHBondContact CB-O 3.4Å; N14-S119 PolarHBondContact ND2-O 2.78Å
15F84.3Confident86.9Confident28 Ų2853.6 Ų53.612%0.12330%0.298CS..Hα-helixtrans-60.9-49.3179.9-178.8-94.1000113.2H12 E13 F18 M19 I29 K33 Y120H12-F15 AromaticContact CE1-CD2 3.77Å; H12-F15 AromaticContact CE1-CG 3.52Å; H12-F15 WeakPolarHBondContact ND1-CB 3.45Å; H12-F15 AromaticContact ND1-CD2 3.38Å; H12-F15 WeakPolarHBondContact ND1-CD2 3.37Å; H12-F15 AromaticContact ND1-CG 3.38Å; H12-F15 WeakPolarHBondContact ND1-CG 3.41Å; E13-F15 VanDerWaalsContact C-N 3.27Å; E13-F15 PolarHBondContact O-N 2.9Å; F15-F18 PolarHBondContact O-N 3.22Å; F15-M19 HydrophobicContact CD1-CG 4.09Å; F15-M19 HydrophobicContact CD2-CE 3.81Å; F15-M19 HydrophobicContact CD2-CG 4Å; F15-M19 HydrophobicContact CE1-CG 3.89Å; F15-M19 HydrophobicContact CE2-CE 3.37Å; F15-M19 HydrophobicContact CE2-CG 3.82Å; F15-M19 HydrophobicContact CE2-SD 4.35Å; F15-M19 HydrophobicContact CG-CG 4.14Å; F15-M19 HydrophobicContact CZ-CE 4.05Å; F15-M19 HydrophobicContact CZ-CG 3.75Å; F15-M19 VanDerWaalsContact O-CB 3.3Å; F15-M19 WeakPolarHBondContact O-CB 3.31Å; F15-M19 WeakPolarHBondContact O-CG 3.44Å; F15-M19 PolarHBondContact O-N 2.85Å; F15-I29 HydrophobicContact CD1-CG2 3.93Å; F15-I29 HydrophobicContact CE1-CB 4.45Å; F15-I29 HydrophobicContact CE1-CG2 3.83Å; F15-I29 WeakPolarHBondContact CE1-O 3.39Å; F15-K33 HydrophobicContact CD1-CB 4.05Å; F15-K33 HydrophobicContact CE1-CB 4.24Å; F15-Y120 HydrophobicContact CB-CD2 4.1Å; F15-Y120 HydrophobicContact CB-CE2 3.73Å; F15-Y120 HydrophobicContact CD2-CD2 4.5Å; F15-Y120 AromaticContact CD2-CE2 3.68Å; F15-Y120 HydrophobicContact CD2-CE2 3.68Å; F15-Y120 AromaticContact CD2-CZ 3.86Å; F15-Y120 HydrophobicContact CG-CE2 4.2Å
16E86.1Confident86.6Confident90 Ų9056.8 Ų56.842%0.42131%0.312SS..Hα-helixtrans-60-55.3-176.2-60.8-178.8109.500112.9F18 K20 I29 K33E16-F18 VanDerWaalsContact C-N 3.31Å; E16-F18 PolarHBondContact O-N 3.32Å; E16-K20 VanDerWaalsContact O-CB 3.28Å; E16-K20 WeakPolarHBondContact O-CB 3.34Å; E16-K20 PolarHBondContact O-N 2.79Å; E16-I29 HydrophobicContact CB-CG2 3.97Å; E16-I29 HydrophobicContact CG-CG2 3.77Å; E16-K33 HydrophobicContact CG-CD 4.24Å; E16-K33 WeakPolarHBondContact OE1-CD 3.36Å; E16-K33 IonicContact OE1-NZ 3.69Å; E16-K33 PolarHBondContact OE1-NZ 2.69Å; E16-K33 IonicContact OE2-NZ 2.71Å
17P88.3Confident86.2Confident52 Ų5256.3 Ų56.334%0.33831%0.314SS..Hα-helixtrans-65.4-35179.624.7-33.6000112.5N14 A21 L118N14-P17 HydrophobicContact CB-CG 4.36Å; N14-P17 WeakPolarHBondContact O-CD 3.4Å; N14-P17 WeakPolarHBondContact OD1-CG 3.33Å; P17-A21 WeakPolarHBondContact O-CB 3.47Å; P17-A21 PolarHBondContact O-N 3.34Å; P17-L118 HydrophobicContact CB-CD2 4.24Å
18F86.9Confident85.6Confident0 Ų059.2 Ų59.20%033%0.327CS..Hα-helixtrans-68.4-48.3178.9-172.7-96.3000112.3N14 F15 E16 K20 A21 L22 L98 L113 F115 L118 Y120N14-F18 WeakPolarHBondContact O-CB 3.37Å; N14-F18 PolarHBondContact O-N 2.96Å; F15-F18 PolarHBondContact O-N 3.22Å; E16-F18 VanDerWaalsContact C-N 3.31Å; E16-F18 PolarHBondContact O-N 3.32Å; F18-K20 VanDerWaalsContact C-N 3.26Å; F18-K20 PolarHBondContact O-N 2.97Å; F18-A21 PolarHBondContact O-N 3.06Å; F18-L22 HydrophobicContact CD1-CD1 3.84Å; F18-L22 HydrophobicContact CD1-CG 4.32Å; F18-L22 HydrophobicContact CE1-CD1 3.41Å; F18-L22 VanDerWaalsContact CE1-CD1 3.41Å; F18-L22 HydrophobicContact CE1-CG 4.08Å; F18-L22 HydrophobicContact CZ-CD1 4.15Å; F18-L22 WeakPolarHBondContact O-CG 3.35Å; F18-L22 PolarHBondContact O-N 2.82Å; F18-L98 HydrophobicContact CZ-CD1 3.85Å; F18-L98 HydrophobicContact CZ-CG 4.43Å; F18-L113 HydrophobicContact CE1-CB 4Å; F18-L113 HydrophobicContact CE1-CD2 3.82Å; F18-L113 HydrophobicContact CE2-CB 4.06Å; F18-L113 HydrophobicContact CZ-CB 3.48Å; F18-L113 VanDerWaalsContact CZ-CB 3.48Å; F18-L113 HydrophobicContact CZ-CD2 3.94Å; F18-L113 HydrophobicContact CZ-CG 4.37Å; F18-F115 HydrophobicContact CD2-CB 4.45Å; F18-F115 HydrophobicContact CE2-CB 3.63Å; F18-F115 HydrophobicContact CZ-CB 4.24Å; F18-L118 HydrophobicContact CD2-CB 4.18Å; F18-Y120 HydrophobicContact CB-CG 4.41Å; F18-Y120 HydrophobicContact CD1-CD1 4.21Å; F18-Y120 HydrophobicContact CD1-CG 4.05Å; F18-Y120 HydrophobicContact CE1-CD1 4.34Å; F18-Y120 VanDerWaalsContact CG-CB 3.4Å; F18-Y120 HydrophobicContact CG-CG 4.2Å
19M85.1Confident85.2Confident21 Ų2157.3 Ų57.310%0.10332%0.319CS..Hα-helixtrans-64-35.1177.9-69-61.3173.100111.6F15 L22 G23 L24 I29 P74F15-M19 HydrophobicContact CD1-CG 4.09Å; F15-M19 HydrophobicContact CD2-CE 3.81Å; F15-M19 HydrophobicContact CD2-CG 4Å; F15-M19 HydrophobicContact CE1-CG 3.89Å; F15-M19 HydrophobicContact CE2-CE 3.37Å; F15-M19 HydrophobicContact CE2-CG 3.82Å; F15-M19 HydrophobicContact CE2-SD 4.35Å; F15-M19 HydrophobicContact CG-CG 4.14Å; F15-M19 HydrophobicContact CZ-CE 4.05Å; F15-M19 HydrophobicContact CZ-CG 3.75Å; F15-M19 VanDerWaalsContact O-CB 3.3Å; F15-M19 WeakPolarHBondContact O-CB 3.31Å; F15-M19 WeakPolarHBondContact O-CG 3.44Å; F15-M19 PolarHBondContact O-N 2.85Å; M19-L22 CarbonylContact O-C 3.6Å; M19-L22 PolarHBondContact O-N 3.19Å; M19-L22 HydrophobicContact SD-CD1 4.34Å; M19-G23 PolarHBondContact O-N 2.73Å; M19-L24 HydrophobicContact CB-CB 4.22Å; M19-L24 HydrophobicContact CB-CD2 4.25Å; M19-L24 HydrophobicContact CG-CD2 4.35Å; M19-L24 WeakPolarHBondContact O-CB 3.49Å; M19-L24 PolarHBondContact O-N 2.79Å; M19-L24 HydrophobicContact SD-CD1 4.16Å; M19-L24 HydrophobicContact SD-CD2 3.82Å; M19-I29 HydrophobicContact CB-CD1 3.68Å; M19-I29 HydrophobicContact CB-CG1 3.65Å; M19-I29 HydrophobicContact CB-CG2 4.41Å; M19-P74 HydrophobicContact SD-CG 4.39Å
20K85.9Confident84.8Confident119 Ų11962.3 Ų62.352%0.51734%0.342SS..Hα-helixtrans-65.7-40.1174.5-168166.1-170.7142.90112E16 F18 L22 G23 D26 I29E16-K20 VanDerWaalsContact O-CB 3.28Å; E16-K20 WeakPolarHBondContact O-CB 3.34Å; E16-K20 PolarHBondContact O-N 2.79Å; F18-K20 VanDerWaalsContact C-N 3.26Å; F18-K20 PolarHBondContact O-N 2.97Å; K20-L22 VanDerWaalsContact C-N 3.27Å; K20-L22 PolarHBondContact O-N 2.71Å; K20-G23 PolarHBondContact O-N 3.17Å; K20-D26 IonicContact NZ-OD1 2.85Å; K20-D26 PolarHBondContact NZ-OD1 2.74Å; K20-D26 IonicContact NZ-OD2 2.74Å; K20-I29 HydrophobicContact CB-CD1 3.92Å
21A84.8Confident84.2Confident49 Ų4963.7 Ų63.741%0.40535%0.346SS..Hα-helixtrans-66.5-29.417400000113P17 F18 G23 L118P17-A21 WeakPolarHBondContact O-CB 3.47Å; P17-A21 PolarHBondContact O-N 3.34Å; F18-A21 PolarHBondContact O-N 3.06Å; A21-G23 PolarHBondContact O-N 2.75Å; A21-L118 HydrophobicContact CB-CD1 3.36Å
22L78.9Confident83.6Confident40 Ų4060.8 Ų60.821%0.20933%0.327CS..THydrogen-bonded Turntrans-77.60.4171-66.9-177.3000113.8F18 M19 K20 L24 M73 L98F18-L22 HydrophobicContact CD1-CD1 3.84Å; F18-L22 HydrophobicContact CD1-CG 4.32Å; F18-L22 HydrophobicContact CE1-CD1 3.41Å; F18-L22 VanDerWaalsContact CE1-CD1 3.41Å; F18-L22 HydrophobicContact CE1-CG 4.08Å; F18-L22 HydrophobicContact CZ-CD1 4.15Å; F18-L22 WeakPolarHBondContact O-CG 3.35Å; F18-L22 PolarHBondContact O-N 2.82Å; M19-L22 CarbonylContact O-C 3.6Å; M19-L22 PolarHBondContact O-N 3.19Å; M19-L22 HydrophobicContact SD-CD1 4.34Å; K20-L22 VanDerWaalsContact C-N 3.27Å; K20-L22 PolarHBondContact O-N 2.71Å; L22-L24 HydrophobicContact CB-CD1 3.95Å; L22-M73 HydrophobicContact CD1-CE 4.15Å; L22-M73 HydrophobicContact CD2-CE 4.25Å; L22-M73 HydrophobicContact CD2-SD 4.48Å; L22-L98 HydrophobicContact CD2-CD1 3.95Å
23G78.8Confident83.1Confident62 Ų6261.6 Ų61.664%0.63933%0.33SS*.THydrogen-bonded Turntrans81.114.4177.900000114.9M19 K20 A21M19-G23 PolarHBondContact O-N 2.73Å; K20-G23 PolarHBondContact O-N 3.17Å; A21-G23 PolarHBondContact O-N 2.75Å
24L81.6Confident82.4Confident15 Ų1562.9 Ų62.98%0.07934%0.341CS..  trans-69.5138.7171.9-82.975.2000110.2M19 L22 I29 P74M19-L24 HydrophobicContact CB-CB 4.22Å; M19-L24 HydrophobicContact CB-CD2 4.25Å; M19-L24 HydrophobicContact CG-CD2 4.35Å; M19-L24 WeakPolarHBondContact O-CB 3.49Å; M19-L24 PolarHBondContact O-N 2.79Å; M19-L24 HydrophobicContact SD-CD1 4.16Å; M19-L24 HydrophobicContact SD-CD2 3.82Å; L22-L24 HydrophobicContact CB-CD1 3.95Å; L24-I29 HydrophobicContact CB-CD1 4.15Å; L24-I29 HydrophobicContact CB-CG1 3.89Å; L24-I29 WeakPolarHBondContact O-CD1 3.41Å; L24-P74 HydrophobicContact CD1-CG 4.31Å; L24-P74 HydrophobicContact CD2-CB 4.2Å; L24-P74 HydrophobicContact CD2-CG 4.33Å
25P83.5Confident82.1Confident67 Ų6762.1 Ų62.144%0.43534%0.336SS..  trans-69.1143.5175.726.7-32.5000111.3D27 Q28 I29P25-D27 PolarHBondContact O-N 3.13Å; P25-Q28 HydrophobicContact CG-CB 4.14Å; P25-Q28 HydrophobicContact CG-CG 3.87Å; P25-Q28 PolarHBondContact O-N 2.82Å; P25-I29 PolarHBondContact O-N 2.87Å
26D84.4Confident82Confident82 Ų8266.9 Ų66.944%0.43936%0.357SS..Hα-helixtrans-54.5-31.8-175.6-63.4-98.6000113.4K20 I29 Q30K20-D26 IonicContact NZ-OD1 2.85Å; K20-D26 PolarHBondContact NZ-OD1 2.74Å; K20-D26 IonicContact NZ-OD2 2.74Å; D26-I29 PolarHBondContact O-N 2.83Å; D26-Q30 WeakPolarHBondContact O-CB 3.18Å; D26-Q30 WeakPolarHBondContact O-CG 3.37Å; D26-Q30 PolarHBondContact O-N 2.95Å
27D83.2Confident82Confident94 Ų9463.2 Ų63.250%0.50334%0.341SS..Hα-helixtrans-62.1-42174.7178.1-97.3000112.4P25 K31P25-D27 PolarHBondContact O-N 3.13Å; D27-K31 WeakPolarHBondContact O-CB 3.39Å; D27-K31 WeakPolarHBondContact O-CG 3.28Å; D27-K31 PolarHBondContact O-N 2.66Å; D27-K31 WeakPolarHBondContact OD1-CE 3.23Å; D27-K31 IonicContact OD1-NZ 3.93Å; D27-K31 PolarHBondContact OD1-NZ 3.05Å; D27-K31 IonicContact OD2-NZ 2.72Å; D27-K31 PolarHBondContact OD2-NZ 2.84Å
28Q79.7Confident82.1Confident63 Ų6363.5 Ų63.529%0.29434%0.339SS..Hα-helixtrans-71-35.4177.2-73.5-161.983.200111.9P25 G32P25-Q28 HydrophobicContact CG-CB 4.14Å; P25-Q28 HydrophobicContact CG-CG 3.87Å; P25-Q28 PolarHBondContact O-N 2.82Å; Q28-G32 PolarHBondContact O-N 2.78Å
29I84.1Confident82.2Confident4 Ų463.5 Ų63.52%0.02134%0.339CS..Hα-helixtrans-64.8-48.5176.8-60.5178.8000109.9F15 E16 M19 K20 L24 P25 D26 K31 G32 K33F15-I29 HydrophobicContact CD1-CG2 3.93Å; F15-I29 HydrophobicContact CE1-CB 4.45Å; F15-I29 HydrophobicContact CE1-CG2 3.83Å; F15-I29 WeakPolarHBondContact CE1-O 3.39Å; E16-I29 HydrophobicContact CB-CG2 3.97Å; E16-I29 HydrophobicContact CG-CG2 3.77Å; M19-I29 HydrophobicContact CB-CD1 3.68Å; M19-I29 HydrophobicContact CB-CG1 3.65Å; M19-I29 HydrophobicContact CB-CG2 4.41Å; K20-I29 HydrophobicContact CB-CD1 3.92Å; L24-I29 HydrophobicContact CB-CD1 4.15Å; L24-I29 HydrophobicContact CB-CG1 3.89Å; L24-I29 WeakPolarHBondContact O-CD1 3.41Å; P25-I29 PolarHBondContact O-N 2.87Å; D26-I29 PolarHBondContact O-N 2.83Å; I29-K31 VanDerWaalsContact C-N 3.33Å; I29-K31 PolarHBondContact O-N 2.75Å; I29-G32 PolarHBondContact O-N 2.8Å; I29-K33 PolarHBondContact O-N 2.9Å
30Q82.4Confident82.5Confident118 Ų11865.7 Ų65.755%0.55135%0.349SS*.Hα-helixtrans-65.2-35.7179-74.5-169.572.900112.8D26 K33D26-Q30 WeakPolarHBondContact O-CB 3.18Å; D26-Q30 WeakPolarHBondContact O-CG 3.37Å; D26-Q30 PolarHBondContact O-N 2.95Å; Q30-K33 WeakPolarHBondContact O-CG 3.38Å
31K79.2Confident82.8Confident123 Ų12360.3 Ų60.354%0.53533%0.326SS..Hα-helixtrans-67.6-42.5172.1-75.1170.6-179.9159.80111.4D27 I29 K33 I35D27-K31 WeakPolarHBondContact O-CB 3.39Å; D27-K31 WeakPolarHBondContact O-CG 3.28Å; D27-K31 PolarHBondContact O-N 2.66Å; D27-K31 WeakPolarHBondContact OD1-CE 3.23Å; D27-K31 IonicContact OD1-NZ 3.93Å; D27-K31 PolarHBondContact OD1-NZ 3.05Å; D27-K31 IonicContact OD2-NZ 2.72Å; D27-K31 PolarHBondContact OD2-NZ 2.84Å; I29-K31 VanDerWaalsContact C-N 3.33Å; I29-K31 PolarHBondContact O-N 2.75Å; K31-K33 PolarHBondContact O-N 2.86Å; K31-I35 WeakPolarHBondContact O-CD1 3.15Å; K31-I35 WeakPolarHBondContact O-CG1 3.06Å
32G74.3Confident83Confident9 Ų960.7 Ų60.79%0.09332%0.323CS..Hα-helixtrans-69.2-29.9-177.200000114.4Q28 I29 D34 I35Q28-G32 PolarHBondContact O-N 2.78Å; I29-G32 PolarHBondContact O-N 2.8Å; G32-D34 PolarHBondContact O-N 3.09Å; G32-I35 PolarHBondContact O-N 2.82Å
33K77.3Confident83.5Confident70 Ų7060.9 Ų60.930%0.30432%0.323SS..Hα-helixtrans-70.8-31.1-172.576.3-178.9179.3-179.70115H12 F15 E16 I29 Q30 K31H12-K33 PolarHBondContact NE2-O 3.08Å; F15-K33 HydrophobicContact CD1-CB 4.05Å; F15-K33 HydrophobicContact CE1-CB 4.24Å; E16-K33 HydrophobicContact CG-CD 4.24Å; E16-K33 WeakPolarHBondContact OE1-CD 3.36Å; E16-K33 IonicContact OE1-NZ 3.69Å; E16-K33 PolarHBondContact OE1-NZ 2.69Å; E16-K33 IonicContact OE2-NZ 2.71Å; I29-K33 PolarHBondContact O-N 2.9Å; Q30-K33 WeakPolarHBondContact O-CG 3.38Å; K31-K33 PolarHBondContact O-N 2.86Å
34D74.8Confident84Confident142 Ų14263.9 Ų63.976%0.75932%0.324SS*.Hα-helixtrans-93.3-15179.3-113.5-93.9000112.3G32G32-D34 PolarHBondContact O-N 3.09Å
35I79.8Confident84.2Confident57 Ų5766.2 Ų66.229%0.29235%0.352SS..SBendtrans-84.6123.5-179.3-67.1169.5000109.7K31 G32 S37 T54K31-I35 WeakPolarHBondContact O-CD1 3.15Å; K31-I35 WeakPolarHBondContact O-CG1 3.06Å; G32-I35 PolarHBondContact O-N 2.82Å; I35-S37 PolarHBondContact O-N 2.75Å; I35-T54 HydrophobicContact CB-CG2 3.95Å; I35-T54 HydrophobicContact CD1-CG2 4.26Å; I35-T54 HydrophobicContact CG2-CG2 3.6Å
36K83Confident84.4Confident127 Ų12770.3 Ų70.355%0.55236%0.363SS*.  trans-67.397.4166.6-67.1-174.5166.5-160.20110.3E8E8-K36 HydrophobicContact CG-CB 4.24Å; E8-K36 HydrophobicContact CG-CD 4.23Å; E8-K36 IonicContact OE1-NZ 2.69Å; E8-K36 PolarHBondContact OE1-NZ 2.75Å
37S85.6Confident84.7Confident13 Ų1370.9 Ų70.99%0.09136%0.361CS..  trans-68.8132.3173.2-570000110.8L9 I35 T53 T54L9-S37 WeakPolarHBondContact CB-O 3.4Å; L9-S37 PolarHBondContact N-O 2.75Å; I35-S37 PolarHBondContact O-N 2.75Å; S37-T53 CarbonylContact C-O 3.49Å; S37-T53 VanDerWaalsContact CA-O 3.27Å; S37-T53 WeakPolarHBondContact CA-O 3.41Å; S37-T54 WeakPolarHBondContact CB-OG1 3.37Å; S37-T54 PolarHBondContact OG-OG1 3.19Å
38I90.4Very high85Confident58 Ų5866.4 Ų66.430%0.29734%0.337SS..EExtended strand (participates in β ladder)trans-95.9122.8169-60.2-177.9000107.7K6 Y7 V52 T53 I127K6-I38 HydrophobicContact CB-CG2 4.46Å; Y7-I38 CarbonylContact O-C 3.59Å; Y7-I38 WeakPolarHBondContact O-CA 3.43Å; I38-V52 CarbonylContact O-C 3.5Å; I38-V52 WeakPolarHBondContact O-CA 3.49Å; I38-T53 PolarHBondContact N-O 2.76Å; I38-T53 PolarHBondContact O-N 2.84Å; I38-I127 HydrophobicContact CD1-CD1 4.2Å; I38-I127 HydrophobicContact CG2-CD1 4.37Å
39S89.8Confident85.6Confident0 Ų068.1 Ų68.10%034%0.344CS..EExtended strand (participates in β ladder)trans-107.8117.5174.3-57.20000109.6K6 Y7 T51 R122K6-S39 CarbonylContact C-O 3.58Å; Y7-S39 WeakPolarHBondContact CD2-O 3.29Å; Y7-S39 PolarHBondContact N-O 2.83Å; Y7-S39 PolarHBondContact O-N 2.79Å; S39-T51 CarbonylContact C-O 3.47Å; S39-T51 VanDerWaalsContact CA-O 3.31Å; S39-T51 WeakPolarHBondContact CA-O 3.45Å; S39-R122 VanDerWaalsContact CB-NH2 3.28Å; S39-R122 PolarHBondContact OG-NH1 3.08Å; S39-R122 VanDerWaalsContact OG-NH1 3.17Å; S39-R122 PolarHBondContact OG-NH2 3.17Å
40E91.3Very high85.8Confident67 Ų6770 Ų7031%0.31335%0.352SS..EExtended strand (participates in β ladder)trans-98.4127.3171.3-174.3177.680.300109.2G5 K6 V42 F50 T51G5-E40 WeakPolarHBondContact O-CA 3.4Å; K6-E40 WeakPolarHBondContact CE-OE2 3.39Å; K6-E40 HydrophobicContact CG-CB 4.13Å; K6-E40 HydrophobicContact CG-CG 3.97Å; K6-E40 IonicContact NZ-OE2 3.84Å; E40-V42 HydrophobicContact CG-CG2 4.39Å; E40-F50 CarbonylContact O-C 3.59Å; E40-F50 WeakPolarHBondContact O-CA 3.49Å; E40-T51 PolarHBondContact N-O 2.92Å; E40-T51 PolarHBondContact O-N 2.8Å
41I91.2Very high86.1Confident6 Ų665.3 Ų65.33%0.03133%0.331CS..EExtended strand (participates in β ladder)trans-113.2134.8175-43.2-171.2000107F3 T4 G5 Y7 F48 K49 F50 I109F3-I41 HydrophobicContact CB-CG2 3.95Å; F3-I41 WeakPolarHBondContact O-CB 3.3Å; T4-I41 CarbonylContact C-O 3.5Å; T4-I41 WeakPolarHBondContact CA-O 3.39Å; G5-I41 PolarHBondContact N-O 2.79Å; G5-I41 PolarHBondContact O-N 2.8Å; Y7-I41 HydrophobicContact CD2-CD1 4.13Å; Y7-I41 HydrophobicContact CD2-CG1 4Å; Y7-I41 HydrophobicContact CE2-CB 4.3Å; Y7-I41 HydrophobicContact CE2-CD1 3.88Å; Y7-I41 HydrophobicContact CE2-CG1 3.84Å; I41-F48 HydrophobicContact CG2-CD1 4.28Å; I41-K49 CarbonylContact C-O 3.48Å; I41-K49 WeakPolarHBondContact CA-O 3.2Å; I41-F50 HydrophobicContact CD1-CD2 4.03Å; I41-F50 HydrophobicContact CD1-CE2 3.94Å; I41-F50 HydrophobicContact CG1-CD2 3.74Å; I41-F50 HydrophobicContact CG1-CE2 3.92Å; I41-I109 HydrophobicContact CD1-CD1 3.49Å; I41-I109 VanDerWaalsContact CD1-CD1 3.49Å
42V90.7Very high86.5Confident57 Ų5760.4 Ų60.435%0.34531%0.312SS..EExtended strand (participates in β ladder)trans-126.2114.6172.1-1760000107.6E40 F48 K49E40-V42 HydrophobicContact CG-CG2 4.39Å; V42-F48 CarbonylContact O-C 3.53Å; V42-F48 WeakPolarHBondContact O-CA 3.37Å; V42-K49 HydrophobicContact CB-CB 4.25Å; V42-K49 PolarHBondContact N-O 2.84Å; V42-K49 PolarHBondContact O-N 2.87Å
43Q88.9Confident87.1Confident44 Ų4462.3 Ų62.321%0.20632%0.321CS..EExtended strand (participates in β ladder)trans-100.5120.1176.1176.6-179.7-1.300109.6T4 F48T4-Q43 WeakPolarHBondContact OG1-CB 3.37Å; T4-Q43 PolarHBondContact OG1-N 2.73Å; Q43-F48 HydrophobicContact CB-CD1 4.02Å; Q43-F48 HydrophobicContact CB-CE1 3.76Å; Q43-F48 HydrophobicContact CB-CZ 4.14Å; Q43-F48 HydrophobicContact CG-CD1 4.21Å; Q43-F48 HydrophobicContact CG-CE1 3.61Å; Q43-F48 HydrophobicContact CG-CE2 3.9Å; Q43-F48 HydrophobicContact CG-CZ 3.44Å; Q43-F48 VanDerWaalsContact CG-CZ 3.44Å
44D88.8Confident87.3Confident126 Ų12660.8 Ų60.867%0.67432%0.318SS*.EExtended strand (participates in β ladder)trans-121.486175.3-161.2-96000109K46 K47D44-K46 PolarHBondContact O-N 3.29Å; D44-K47 PolarHBondContact N-O 2.76Å; D44-K47 PolarHBondContact O-N 3Å
45G86.7Confident87.5Confident63 Ų6356.3 Ų56.365%0.64931%0.305SS*.THydrogen-bonded Turntrans60.4-104.9-173.200000112.4
46K87.3Confident87.4Confident153 Ų15359.8 Ų59.867%0.66534%0.335SS*.THydrogen-bonded Turntrans-94.7-14.6176.6-64.7-175.2-179.6-177.90113.6D44 T64 I65D44-K46 PolarHBondContact O-N 3.29Å; K46-T64 HydrophobicContact CB-CG2 4.02Å; K46-T64 WeakPolarHBondContact O-CA 3.38Å; K46-I65 PolarHBondContact O-N 2.83Å
47K90.1Very high87.2Confident94 Ų9460 Ų6041%0.40934%0.336SS..EExtended strand (participates in β ladder)trans-91.2131.2-179.8-168.7172.3-176175.50109.3D44 E62D44-K47 PolarHBondContact N-O 2.76Å; D44-K47 PolarHBondContact O-N 3Å; K47-E62 WeakPolarHBondContact CE-OE2 3.24Å; K47-E62 IonicContact NZ-OE2 3.19Å; K47-E62 PolarHBondContact NZ-OE2 3.23Å
48F90.4Very high87.1Confident1 Ų164 Ų640%0.00436%0.36CS..EExtended strand (participates in β ladder)trans-120.8134.4178.3-75.1-108.9000108.5F3 I41 V42 Q43 E62 F63 I65 M85 L91F3-F48 HydrophobicContact CB-CE1 4.17Å; F3-F48 HydrophobicContact CD2-CE1 4.09Å; F3-F48 HydrophobicContact CG-CE1 4.34Å; I41-F48 HydrophobicContact CG2-CD1 4.28Å; V42-F48 CarbonylContact O-C 3.53Å; V42-F48 WeakPolarHBondContact O-CA 3.37Å; Q43-F48 HydrophobicContact CB-CD1 4.02Å; Q43-F48 HydrophobicContact CB-CE1 3.76Å; Q43-F48 HydrophobicContact CB-CZ 4.14Å; Q43-F48 HydrophobicContact CG-CD1 4.21Å; Q43-F48 HydrophobicContact CG-CE1 3.61Å; Q43-F48 HydrophobicContact CG-CE2 3.9Å; Q43-F48 HydrophobicContact CG-CZ 3.44Å; Q43-F48 VanDerWaalsContact CG-CZ 3.44Å; F48-E62 CarbonylContact O-C 3.58Å; F48-E62 WeakPolarHBondContact O-CA 3.36Å; F48-F63 HydrophobicContact CB-CD1 4.34Å; F48-F63 HydrophobicContact CB-CD2 3.78Å; F48-F63 HydrophobicContact CB-CE1 3.93Å; F48-F63 HydrophobicContact CB-CE2 3.32Å; F48-F63 HydrophobicContact CB-CG 4.28Å; F48-F63 HydrophobicContact CB-CZ 3.4Å; F48-F63 VanDerWaalsContact CB-CZ 3.4Å; F48-F63 HydrophobicContact CD1-CE2 4.33Å; F48-F63 HydrophobicContact CD1-CZ 4.35Å; F48-F63 HydrophobicContact CD2-CE2 4.17Å; F48-F63 HydrophobicContact CG-CD2 4.42Å; F48-F63 AromaticContact CG-CE2 3.71Å; F48-F63 HydrophobicContact CG-CE2 3.71Å; F48-F63 HydrophobicContact CG-CZ 4.02Å; F48-F63 PolarHBondContact N-O 2.78Å; F48-F63 PolarHBondContact O-N 2.85Å; F48-I65 HydrophobicContact CD2-CD1 3.84Å; F48-I65 HydrophobicContact CD2-CG1 3.6Å; F48-I65 HydrophobicContact CE2-CD1 3.73Å; F48-I65 HydrophobicContact CE2-CG1 3.27Å; F48-I65 HydrophobicContact CZ-CD1 4.36Å; F48-I65 HydrophobicContact CZ-CG1 4.2Å; F48-M85 HydrophobicContact CZ-SD 4.36Å; F48-L91 HydrophobicContact CD1-CD1 4.39Å; F48-L91 HydrophobicContact CE1-CD1 4.07Å; F48-L91 HydrophobicContact CE1-CD2 4.46Å; F48-L91 HydrophobicContact CZ-CD2 4.32Å
49K90.5Very high86.9Confident99 Ų9963.1 Ų63.143%0.4336%0.355SS..EExtended strand (participates in β ladder)trans-115.1125.8170.9-171.1177.7-177.6177.30108.5I41 V42 N61I41-K49 CarbonylContact C-O 3.48Å; I41-K49 WeakPolarHBondContact CA-O 3.2Å; V42-K49 HydrophobicContact CB-CB 4.25Å; V42-K49 PolarHBondContact N-O 2.84Å; V42-K49 PolarHBondContact O-N 2.87Å; K49-N61 CarbonylContact C-O 3.57Å; K49-N61 WeakPolarHBondContact CA-O 3.37Å
50F88.9Confident86.7Confident43 Ų4366.8 Ų66.819%0.18938%0.381CS..EExtended strand (participates in β ladder)trans-119.7113.2-177.6-173.1-102.3000109.2E40 I41 V52 S60 N61 F63E40-F50 CarbonylContact O-C 3.59Å; E40-F50 WeakPolarHBondContact O-CA 3.49Å; I41-F50 HydrophobicContact CD1-CD2 4.03Å; I41-F50 HydrophobicContact CD1-CE2 3.94Å; I41-F50 HydrophobicContact CG1-CD2 3.74Å; I41-F50 HydrophobicContact CG1-CE2 3.92Å; F50-V52 HydrophobicContact CD1-CG2 3.63Å; F50-V52 HydrophobicContact CE1-CG2 3Å; F50-V52 HydrophobicContact CZ-CG2 3.63Å; F50-S60 CarbonylContact O-C 3.57Å; F50-S60 WeakPolarHBondContact O-CA 3.48Å; F50-N61 PolarHBondContact N-O 3.23Å; F50-N61 PolarHBondContact O-N 2.86Å; F50-F63 HydrophobicContact CB-CE1 4.11Å
51T89.7Confident86.5Confident19 Ų1964.5 Ų64.512%0.11737%0.371CS..EExtended strand (participates in β ladder)trans-113.1117.9179.7-48.30000109S39 E40 V58 L59S39-T51 CarbonylContact C-O 3.47Å; S39-T51 VanDerWaalsContact CA-O 3.31Å; S39-T51 WeakPolarHBondContact CA-O 3.45Å; E40-T51 PolarHBondContact N-O 2.92Å; E40-T51 PolarHBondContact O-N 2.8Å; T51-V58 HydrophobicContact CG2-CG1 3.67Å; T51-L59 CarbonylContact C-O 3.53Å; T51-L59 WeakPolarHBondContact CA-O 3.44Å
52V87.2Confident86.5Confident20 Ų2069.2 Ų69.212%0.12139%0.393CS..EExtended strand (participates in β ladder)trans-106.9122174-1730000109.4I38 F50 V58 L59I38-V52 CarbonylContact O-C 3.5Å; I38-V52 WeakPolarHBondContact O-CA 3.49Å; F50-V52 HydrophobicContact CD1-CG2 3.63Å; F50-V52 HydrophobicContact CE1-CG2 3Å; F50-V52 HydrophobicContact CZ-CG2 3.63Å; V52-V58 CarbonylContact O-C 3.52Å; V52-V58 WeakPolarHBondContact O-CA 3.44Å; V52-L59 PolarHBondContact N-O 2.79Å; V52-L59 PolarHBondContact O-N 2.81Å
53T86.4Confident86.4Confident49 Ų4967.6 Ų67.630%0.30138%0.381SS..EExtended strand (participates in β ladder)trans-106.5113.6172.8-57.70000108.8S37 I38 K57 V58S37-T53 CarbonylContact C-O 3.49Å; S37-T53 VanDerWaalsContact CA-O 3.27Å; S37-T53 WeakPolarHBondContact CA-O 3.41Å; I38-T53 PolarHBondContact N-O 2.76Å; I38-T53 PolarHBondContact O-N 2.84Å; T53-K57 CarbonylContact C-O 3.57Å; T53-K57 WeakPolarHBondContact CA-O 3.28Å; T53-V58 HydrophobicContact CG2-CG2 4.05Å
54T82.2Confident86.5Confident38 Ų3867 Ų6723%0.23338%0.38CS..EExtended strand (participates in β ladder)trans-118.696176.5-56.60000108.1I35 S37 S56 K57I35-T54 HydrophobicContact CB-CG2 3.95Å; I35-T54 HydrophobicContact CD1-CG2 4.26Å; I35-T54 HydrophobicContact CG2-CG2 3.6Å; S37-T54 WeakPolarHBondContact CB-OG1 3.37Å; S37-T54 PolarHBondContact OG-OG1 3.19Å; T54-S56 PolarHBondContact O-N 2.83Å; T54-K57 PolarHBondContact N-O 2.88Å; T54-K57 PolarHBondContact O-N 2.71Å; T54-K57 VanDerWaalsContact O-N 3.08Å
55G79.6Confident86.6Confident48 Ų4862.4 Ų62.450%0.49536%0.355SS..THydrogen-bonded Turntrans63.3-115.8-177.200000110.8
56S77.4Confident86.7Confident130 Ų13061.5 Ų61.591%0.90935%0.347SS*.THydrogen-bonded Turntrans-88.7-6.9178.1-48.50000114.4T54T54-S56 PolarHBondContact O-N 2.83Å
57K77.4Confident86.8Confident133 Ų13359.9 Ų59.958%0.57834%0.341SS*.EExtended strand (participates in β ladder)trans-97.2131.4179.9-77.3-177.4172.2-163.50110.6T53 T54T53-K57 CarbonylContact C-O 3.57Å; T53-K57 WeakPolarHBondContact CA-O 3.28Å; T54-K57 PolarHBondContact N-O 2.88Å; T54-K57 PolarHBondContact O-N 2.71Å; T54-K57 VanDerWaalsContact O-N 3.08Å
58V84.5Confident86.7Confident97 Ų9761 Ų6159%0.58835%0.348SS*.EExtended strand (participates in β ladder)trans-119.3122.6173.9-175.40000107.9T51 V52 T53T51-V58 HydrophobicContact CG2-CG1 3.67Å; V52-V58 CarbonylContact O-C 3.52Å; V52-V58 WeakPolarHBondContact O-CA 3.44Å; T53-V58 HydrophobicContact CG2-CG2 4.05Å
59L85.3Confident86.6Confident39 Ų3961.8 Ų61.820%0.20435%0.353CS..EExtended strand (participates in β ladder)trans-117.2120.7178.5-173.7104.8000108.1T51 V52 N61 E72T51-L59 CarbonylContact C-O 3.53Å; T51-L59 WeakPolarHBondContact CA-O 3.44Å; V52-L59 PolarHBondContact N-O 2.79Å; V52-L59 PolarHBondContact O-N 2.81Å; L59-N61 VanDerWaalsContact CD2-ND2 3.3Å; L59-N61 WeakPolarHBondContact CD2-ND2 3.47Å; L59-E72 HydrophobicContact CD1-CG 4.38Å
60S86Confident86.5Confident76 Ų7662.1 Ų62.153%0.53136%0.357SS..EExtended strand (participates in β ladder)trans-119.3121.2179.557.90000111F50F50-S60 CarbonylContact O-C 3.57Å; F50-S60 WeakPolarHBondContact O-CA 3.48Å
61N88.1Confident86.2Confident20 Ų2061.3 Ų61.311%0.10735%0.353CS..EExtended strand (participates in β ladder)trans-116.4144.6177-77.1-58.1000110.5K49 F50 L59 E72K49-N61 CarbonylContact C-O 3.57Å; K49-N61 WeakPolarHBondContact CA-O 3.37Å; F50-N61 PolarHBondContact N-O 3.23Å; F50-N61 PolarHBondContact O-N 2.86Å; L59-N61 VanDerWaalsContact CD2-ND2 3.3Å; L59-N61 WeakPolarHBondContact CD2-ND2 3.47Å; N61-E72 PolarHBondContact ND2-O 3.37Å; N61-E72 PolarHBondContact OD1-N 3.36Å
62E89.9Confident85.9Confident105 Ų10564.1 Ų64.149%0.49137%0.365SS..EExtended strand (participates in β ladder)trans-125.3137.5173.160-17976.900110.4K47 F48K47-E62 WeakPolarHBondContact CE-OE2 3.24Å; K47-E62 IonicContact NZ-OE2 3.19Å; K47-E62 PolarHBondContact NZ-OE2 3.23Å; F48-E62 CarbonylContact O-C 3.58Å; F48-E62 WeakPolarHBondContact O-CA 3.36Å
63F88.9Confident85.4Confident22 Ų2264.8 Ų64.810%0.09637%0.368CS..EExtended strand (participates in β ladder)trans-146152.7179.658.6-92.8000111.1F48 F50 I65 S69 M71 V83F48-F63 HydrophobicContact CB-CD1 4.34Å; F48-F63 HydrophobicContact CB-CD2 3.78Å; F48-F63 HydrophobicContact CB-CE1 3.93Å; F48-F63 HydrophobicContact CB-CE2 3.32Å; F48-F63 HydrophobicContact CB-CG 4.28Å; F48-F63 HydrophobicContact CB-CZ 3.4Å; F48-F63 VanDerWaalsContact CB-CZ 3.4Å; F48-F63 HydrophobicContact CD1-CE2 4.33Å; F48-F63 HydrophobicContact CD1-CZ 4.35Å; F48-F63 HydrophobicContact CD2-CE2 4.17Å; F48-F63 HydrophobicContact CG-CD2 4.42Å; F48-F63 AromaticContact CG-CE2 3.71Å; F48-F63 HydrophobicContact CG-CE2 3.71Å; F48-F63 HydrophobicContact CG-CZ 4.02Å; F48-F63 PolarHBondContact N-O 2.78Å; F48-F63 PolarHBondContact O-N 2.85Å; F50-F63 HydrophobicContact CB-CE1 4.11Å; F63-I65 HydrophobicContact CD2-CD1 4.37Å; F63-I65 HydrophobicContact CE2-CD1 4.08Å; F63-S69 WeakPolarHBondContact CA-OG 3.08Å; F63-M71 HydrophobicContact CB-CE 3.89Å; F63-M71 HydrophobicContact CD1-CE 4Å; F63-M71 HydrophobicContact CG-CE 3.95Å; F63-V83 HydrophobicContact CB-CG2 4.25Å; F63-V83 HydrophobicContact CD2-CB 3.74Å; F63-V83 HydrophobicContact CD2-CG1 4.12Å; F63-V83 HydrophobicContact CD2-CG2 3.41Å; F63-V83 VanDerWaalsContact CD2-CG2 3.41Å; F63-V83 HydrophobicContact CE2-CB 3.94Å; F63-V83 HydrophobicContact CE2-CG1 3.77Å; F63-V83 HydrophobicContact CE2-CG2 3.79Å; F63-V83 HydrophobicContact CG-CG2 3.86Å
64T91.1Very high84.5Confident31 Ų3165.3 Ų65.319%0.1937%0.372CS..EExtended strand (participates in β ladder)trans-111.7133.7176-54.20000110.3K46 G66 E67 S69K46-T64 HydrophobicContact CB-CG2 4.02Å; K46-T64 WeakPolarHBondContact O-CA 3.38Å; T64-G66 PolarHBondContact O-N 2.76Å; T64-E67 HydrophobicContact CG2-CB 4.5Å; T64-E67 HydrophobicContact CG2-CG 4.37Å; T64-E67 VanDerWaalsContact CG2-OE2 3.24Å; T64-E67 WeakPolarHBondContact CG2-OE2 3.33Å; T64-E67 PolarHBondContact O-N 2.95Å; T64-S69 PolarHBondContact N-OG 2.98Å; T64-S69 VanDerWaalsContact N-OG 3.08Å
65I90.9Very high83.8Confident30 Ų3065.7 Ų65.715%0.15438%0.383CS..BIsolated β-bridgetrans-64.4125.8178.9-59.5-59.3000110.4K46 F48 F63 E67 V83 M85 L91K46-I65 PolarHBondContact O-N 2.83Å; F48-I65 HydrophobicContact CD2-CD1 3.84Å; F48-I65 HydrophobicContact CD2-CG1 3.6Å; F48-I65 HydrophobicContact CE2-CD1 3.73Å; F48-I65 HydrophobicContact CE2-CG1 3.27Å; F48-I65 HydrophobicContact CZ-CD1 4.36Å; F48-I65 HydrophobicContact CZ-CG1 4.2Å; F63-I65 HydrophobicContact CD2-CD1 4.37Å; F63-I65 HydrophobicContact CE2-CD1 4.08Å; I65-E67 VanDerWaalsContact C-N 3.32Å; I65-V83 CarbonylContact C-O 3.56Å; I65-V83 WeakPolarHBondContact CA-O 3.44Å; I65-V83 HydrophobicContact CD1-CB 3.96Å; I65-V83 HydrophobicContact CD1-CG1 3.64Å; I65-M85 HydrophobicContact CG2-CB 3.98Å; I65-L91 HydrophobicContact CD1-CD2 3.55Å
66G88.2Confident83.4Confident45 Ų4565.8 Ų65.846%0.46438%0.384SS..THydrogen-bonded Turntrans83.61.9179.800000114.7T64 V83T64-G66 PolarHBondContact O-N 2.76Å; G66-V83 PolarHBondContact N-O 2.74Å
67E90.1Very high83.5Confident118 Ų11866.2 Ų66.255%0.55137%0.372SS*.SBendtrans-120.5151.9178.5-63.8-170.188.100111.5T64 I65 S69T64-E67 HydrophobicContact CG2-CB 4.5Å; T64-E67 HydrophobicContact CG2-CG 4.37Å; T64-E67 VanDerWaalsContact CG2-OE2 3.24Å; T64-E67 WeakPolarHBondContact CG2-OE2 3.33Å; T64-E67 PolarHBondContact O-N 2.95Å; I65-E67 VanDerWaalsContact C-N 3.32Å; E67-S69 PolarHBondContact O-N 2.8Å
68E89.1Confident83.8Confident119 Ų11965.6 Ų65.656%0.55637%0.369SS*.EExtended strand (participates in β ladder)trans-70.7119.7173-170-176.986.900109.4K80 V82E68-K80 HydrophobicContact CG-CB 3.89Å; E68-K80 HydrophobicContact CG-CD 4.4Å; E68-K80 HydrophobicContact CG-CG 4.16Å; E68-K80 VanDerWaalsContact OE1-CD 3.23Å; E68-K80 WeakPolarHBondContact OE1-CD 3.5Å; E68-K80 VanDerWaalsContact OE1-CE 3.28Å; E68-K80 WeakPolarHBondContact OE1-CE 3.49Å; E68-K80 IonicContact OE1-NZ 3.85Å; E68-K80 PolarHBondContact OE1-NZ 2.77Å; E68-V82 HydrophobicContact CB-CG2 4.22Å; E68-V82 HydrophobicContact CG-CG2 4.46Å
69S87.2Confident83.9Confident16 Ų1662.4 Ų62.411%0.11235%0.35CS..EExtended strand (participates in β ladder)trans-122.4145.8178.5-560000110F63 T64 E67 K80 A81F63-S69 WeakPolarHBondContact CA-OG 3.08Å; T64-S69 PolarHBondContact N-OG 2.98Å; T64-S69 VanDerWaalsContact N-OG 3.08Å; E67-S69 PolarHBondContact O-N 2.8Å; S69-K80 WeakPolarHBondContact O-CA 3.21Å; S69-A81 PolarHBondContact N-O 3.4Å; S69-A81 PolarHBondContact O-N 2.77Å
70E87.8Confident84Confident107 Ų10766.6 Ų66.650%0.537%0.366SS..EExtended strand (participates in β ladder)trans-84.3120.4173.5-170.1178.497.100109.2K78E70-K78 HydrophobicContact CG-CB 3.82Å; E70-K78 HydrophobicContact CG-CG 4.19Å; E70-K78 VanDerWaalsContact OE1-CD 3.23Å; E70-K78 WeakPolarHBondContact OE1-CD 3.47Å; E70-K78 WeakPolarHBondContact OE1-CE 3.35Å; E70-K78 IonicContact OE1-NZ 3.94Å; E70-K78 PolarHBondContact OE1-NZ 3.42Å
71M84Confident84.1Confident25 Ų2563 Ų6312%0.12334%0.341CS..EExtended strand (participates in β ladder)trans-111.4133.4174.1-65.4-174.9-156.300110.1F63 K78 V79 A81 V83 M95F63-M71 HydrophobicContact CB-CE 3.89Å; F63-M71 HydrophobicContact CD1-CE 4Å; F63-M71 HydrophobicContact CG-CE 3.95Å; M71-K78 WeakPolarHBondContact O-CA 3.14Å; M71-V79 PolarHBondContact N-O 2.76Å; M71-V79 PolarHBondContact O-N 3.17Å; M71-A81 HydrophobicContact CE-CB 3.32Å; M71-A81 HydrophobicContact CG-CB 4Å; M71-A81 HydrophobicContact SD-CB 3.75Å; M71-V83 HydrophobicContact CE-CG2 3.32Å; M71-M95 HydrophobicContact SD-SD 4.33Å
72E82.1Confident84.2Confident79 Ų7964 Ų6437%0.36935%0.348SS..EExtended strand (participates in β ladder)trans-83.1118.9169.9-169170.993.900109.6L59 N61 K78L59-E72 HydrophobicContact CD1-CG 4.38Å; N61-E72 PolarHBondContact ND2-O 3.37Å; N61-E72 PolarHBondContact OD1-N 3.36Å; E72-K78 HydrophobicContact CB-CG 4.36Å; E72-K78 HydrophobicContact CG-CG 4.45Å
73M77.2Confident84.2Confident34 Ų3459.2 Ų59.217%0.16733%0.326CS..  trans-75.9154.3171.5-58.6-150.99400109.7L22 G75 G76 E77 V79 M95 L98L22-M73 HydrophobicContact CD1-CE 4.15Å; L22-M73 HydrophobicContact CD2-CE 4.25Å; L22-M73 HydrophobicContact CD2-SD 4.48Å; M73-G75 PolarHBondContact O-N 3.18Å; M73-G76 PolarHBondContact O-N 3.4Å; M73-E77 WeakPolarHBondContact CB-O 3.1Å; M73-E77 PolarHBondContact N-O 3Å; M73-V79 HydrophobicContact CG-CG1 4.22Å; M73-V79 HydrophobicContact CG-CG2 3.71Å; M73-V79 HydrophobicContact SD-CG1 4.13Å; M73-V79 HydrophobicContact SD-CG2 4.02Å; M73-M95 HydrophobicContact CE-CE 4.13Å; M73-L98 HydrophobicContact CE-CD1 3.86Å
74P68.6Low84.3Confident60 Ų6062.6 Ų62.639%0.3934%0.342SS..THydrogen-bonded Turntrans-61.9-11.5178.124.2-34000114.3M19 L24 G76M19-P74 HydrophobicContact SD-CG 4.39Å; L24-P74 HydrophobicContact CD1-CG 4.31Å; L24-P74 HydrophobicContact CD2-CB 4.2Å; L24-P74 HydrophobicContact CD2-CG 4.33Å; P74-G76 VanDerWaalsContact C-N 3.26Å
75G67Low84.1Confident46 Ų4664.9 Ų64.947%0.47435%0.351SS..THydrogen-bonded Turntrans-76.6-516800000114.9M73 E77M73-G75 PolarHBondContact O-N 3.18Å; G75-E77 VanDerWaalsContact C-N 3.29Å
76G70.4Confident83.9Confident50 Ų5068.5 Ų68.552%0.51537%0.368SS..SBendtrans84.9-2.3-174.300000114.1M73 P74M73-G76 PolarHBondContact O-N 3.4Å; P74-G76 VanDerWaalsContact C-N 3.26Å
77E79.6Confident83.7Confident139 Ų13969 Ų6965%0.6537%0.372SS*.  trans-83.5133.1178.7-152.8175.510800110.7M73 G75M73-E77 WeakPolarHBondContact CB-O 3.1Å; M73-E77 PolarHBondContact N-O 3Å; G75-E77 VanDerWaalsContact C-N 3.29Å
78K84.6Confident83.2Confident120 Ų12068.8 Ų68.852%0.52238%0.375SS..EExtended strand (participates in β ladder)trans-95.3121.4179-78160.6160.9-124.10109.9E70 M71 E72E70-K78 HydrophobicContact CG-CB 3.82Å; E70-K78 HydrophobicContact CG-CG 4.19Å; E70-K78 VanDerWaalsContact OE1-CD 3.23Å; E70-K78 WeakPolarHBondContact OE1-CD 3.47Å; E70-K78 WeakPolarHBondContact OE1-CE 3.35Å; E70-K78 IonicContact OE1-NZ 3.94Å; E70-K78 PolarHBondContact OE1-NZ 3.42Å; M71-K78 WeakPolarHBondContact O-CA 3.14Å; E72-K78 HydrophobicContact CB-CG 4.36Å; E72-K78 HydrophobicContact CG-CG 4.45Å
79V85.3Confident83.1Confident29 Ų2966.8 Ų66.818%0.17637%0.368CS..EExtended strand (participates in β ladder)trans-121.6141.4-177.8-61.80000110.6M71 M73 M95M71-V79 PolarHBondContact N-O 2.76Å; M71-V79 PolarHBondContact O-N 3.17Å; M73-V79 HydrophobicContact CG-CG1 4.22Å; M73-V79 HydrophobicContact CG-CG2 3.71Å; M73-V79 HydrophobicContact SD-CG1 4.13Å; M73-V79 HydrophobicContact SD-CG2 4.02Å; V79-M95 HydrophobicContact CG2-CG 4.43Å; V79-M95 HydrophobicContact CG2-SD 3.62Å
80K87.6Confident83.2Confident127 Ų12770.2 Ų70.255%0.55238%0.379SS*.EExtended strand (participates in β ladder)trans-78.2127.1172.6-74169.1164.4-136.40109.5E68 S69E68-K80 HydrophobicContact CG-CB 3.89Å; E68-K80 HydrophobicContact CG-CD 4.4Å; E68-K80 HydrophobicContact CG-CG 4.16Å; E68-K80 VanDerWaalsContact OE1-CD 3.23Å; E68-K80 WeakPolarHBondContact OE1-CD 3.5Å; E68-K80 VanDerWaalsContact OE1-CE 3.28Å; E68-K80 WeakPolarHBondContact OE1-CE 3.49Å; E68-K80 IonicContact OE1-NZ 3.85Å; E68-K80 PolarHBondContact OE1-NZ 2.77Å; S69-K80 WeakPolarHBondContact O-CA 3.21Å
81A87.9Confident83.3Confident1 Ų165.6 Ų65.61%0.00836%0.357CS..EExtended strand (participates in β ladder)trans-133.8137.8-174.200000109.6S69 M71 M95S69-A81 PolarHBondContact N-O 3.4Å; S69-A81 PolarHBondContact O-N 2.77Å; M71-A81 HydrophobicContact CE-CB 3.32Å; M71-A81 HydrophobicContact CG-CB 4Å; M71-A81 HydrophobicContact SD-CB 3.75Å; A81-M95 HydrophobicContact CB-CG 3.27Å; A81-M95 HydrophobicContact CB-SD 3.67Å
82V90.3Very high83.6Confident41 Ų4165 Ų6525%0.24836%0.355CS..EExtended strand (participates in β ladder)trans-112.5122.8171-170.60000108.1E68 H84 A93 N94E68-V82 HydrophobicContact CB-CG2 4.22Å; E68-V82 HydrophobicContact CG-CG2 4.46Å; V82-H84 VanDerWaalsContact CG1-NE2 3.29Å; V82-H84 WeakPolarHBondContact CG1-NE2 3.31Å; V82-A93 WeakPolarHBondContact O-CA 3.3Å; V82-N94 PolarHBondContact N-O 2.85Å; V82-N94 PolarHBondContact O-N 2.75Å
83V90.6Very high84Confident4 Ų461.7 Ų61.72%0.02434%0.341CS..EExtended strand (participates in β ladder)trans-103.2126.9178.3-168.30000109.6F63 I65 G66 M71 L91 A93F63-V83 HydrophobicContact CB-CG2 4.25Å; F63-V83 HydrophobicContact CD2-CB 3.74Å; F63-V83 HydrophobicContact CD2-CG1 4.12Å; F63-V83 HydrophobicContact CD2-CG2 3.41Å; F63-V83 VanDerWaalsContact CD2-CG2 3.41Å; F63-V83 HydrophobicContact CE2-CB 3.94Å; F63-V83 HydrophobicContact CE2-CG1 3.77Å; F63-V83 HydrophobicContact CE2-CG2 3.79Å; F63-V83 HydrophobicContact CG-CG2 3.86Å; I65-V83 CarbonylContact C-O 3.56Å; I65-V83 WeakPolarHBondContact CA-O 3.44Å; I65-V83 HydrophobicContact CD1-CB 3.96Å; I65-V83 HydrophobicContact CD1-CG1 3.64Å; G66-V83 PolarHBondContact N-O 2.74Å; M71-V83 HydrophobicContact CE-CG2 3.32Å; V83-L91 HydrophobicContact CG1-CB 4.31Å; V83-L91 HydrophobicContact CG1-CD2 4.17Å; V83-A93 HydrophobicContact CB-CB 4.34Å; V83-A93 HydrophobicContact CG1-CB 4.27Å; V83-A93 HydrophobicContact CG2-CB 3.73Å
84H90Very high84.4Confident93 Ų9363.8 Ų63.843%0.43135%0.353SS..EExtended strand (participates in β ladder)trans-111.6140.3173.8-64-84.5000109.5V82 L91 V92V82-H84 VanDerWaalsContact CG1-NE2 3.29Å; V82-H84 WeakPolarHBondContact CG1-NE2 3.31Å; H84-L91 CarbonylContact O-C 3.51Å; H84-L91 WeakPolarHBondContact O-CA 3.33Å; H84-V92 PolarHBondContact N-O 2.74Å; H84-V92 PolarHBondContact O-N 2.84Å
85M88.6Confident85.1Confident80 Ų8062.1 Ų62.139%0.39434%0.34SS..EExtended strand (participates in β ladder)trans-97.4123172.1-165169.576.400108.4F48 I65 R90 L91F48-M85 HydrophobicContact CZ-SD 4.36Å; I65-M85 HydrophobicContact CG2-CB 3.98Å; M85-R90 CarbonylContact C-O 3.59Å; M85-R90 WeakPolarHBondContact CA-O 2.73Å; M85-L91 HydrophobicContact CB-CD2 3.89Å; M85-L91 HydrophobicContact CG-CD2 3.82Å; M85-L91 HydrophobicContact SD-CD2 4.33Å
86E86.8Confident85.3Confident106 Ų10670 Ų7050%0.49536%0.361SS..EExtended strand (participates in β ladder)trans-103.5117.5172-69.3-150.5119.900109.1R90 V92E86-R90 HydrophobicContact CB-CB 4.33Å; E86-R90 HydrophobicContact CB-CG 4.41Å; E86-R90 PolarHBondContact N-O 2.83Å; E86-R90 WeakPolarHBondContact O-CB 3.45Å; E86-R90 PolarHBondContact O-N 2.97Å; E86-R90 IonicContact OE2-CZ 2.82Å; E86-R90 IonicContact OE2-NH1 2.87Å; E86-R90 PolarHBondContact OE2-NH1 2.79Å; E86-V92 HydrophobicContact CG-CG2 4.25Å
87G82.7Confident85.7Confident54 Ų5470.5 Ų70.556%0.55737%0.367SS*.THydrogen-bonded Turntrans63.4-145.3-173.400000112.4
88D80.4Confident85.9Confident114 Ų11464.2 Ų64.261%0.6134%0.338SS*.THydrogen-bonded Turntrans-105.7-5-173.3-66.7-89000113.9
89N86.1Confident86.1Confident77 Ų7763.3 Ų63.341%0.41233%0.334SS..THydrogen-bonded Turntrans-147.59.8-165.925.431.5000114F3 E103 L104F3-N89 VanDerWaalsContact CZ-C 3.44Å; F3-N89 WeakPolarHBondContact CZ-O 3.31Å; N89-E103 CarbonylContact O-C 3.49Å; N89-E103 WeakPolarHBondContact O-CA 3.46Å; N89-L104 HydrophobicContact CB-CB 4.28Å; N89-L104 VanDerWaalsContact CB-O 3.3Å; N89-L104 WeakPolarHBondContact CB-O 3.18Å; N89-L104 PolarHBondContact O-N 3.29Å
90R90.1Very high86.3Confident88 Ų8862.8 Ų62.833%0.33233%0.332SS..EExtended strand (participates in β ladder)trans-128.8132.5175.3-176.8176.8-164.3-152.520111.6M85 E86 V92 V101 T102 E103M85-R90 CarbonylContact C-O 3.59Å; M85-R90 WeakPolarHBondContact CA-O 2.73Å; E86-R90 HydrophobicContact CB-CB 4.33Å; E86-R90 HydrophobicContact CB-CG 4.41Å; E86-R90 PolarHBondContact N-O 2.83Å; E86-R90 WeakPolarHBondContact O-CB 3.45Å; E86-R90 PolarHBondContact O-N 2.97Å; E86-R90 IonicContact OE2-CZ 2.82Å; E86-R90 IonicContact OE2-NH1 2.87Å; E86-R90 PolarHBondContact OE2-NH1 2.79Å; R90-V92 HydrophobicContact CG-CG2 4.23Å; R90-V101 HydrophobicContact CG-CG1 4.26Å; R90-T102 CarbonylContact C-O 3.57Å; R90-T102 WeakPolarHBondContact CA-O 3.44Å; R90-E103 HydrophobicContact CB-CG 4.15Å; R90-E103 HydrophobicContact CG-CG 3.72Å; R90-E103 IonicContact NE-OE1 3.59Å
91L89.6Confident86.5Confident11 Ų1157.5 Ų57.56%0.05831%0.31CS..EExtended strand (participates in β ladder)trans-118.3128.9176-68.1166.7000108.6F3 F48 I65 V83 H84 M85 V101 T102F3-L91 HydrophobicContact CD1-CD1 3.92Å; F3-L91 HydrophobicContact CD2-CD1 4.08Å; F3-L91 HydrophobicContact CE1-CD1 3.72Å; F3-L91 HydrophobicContact CE1-CG 4.15Å; F3-L91 HydrophobicContact CE2-CD1 3.92Å; F3-L91 HydrophobicContact CE2-CG 3.93Å; F3-L91 HydrophobicContact CG-CD1 4.08Å; F3-L91 HydrophobicContact CZ-CD1 3.71Å; F3-L91 HydrophobicContact CZ-CG 3.69Å; F48-L91 HydrophobicContact CD1-CD1 4.39Å; F48-L91 HydrophobicContact CE1-CD1 4.07Å; F48-L91 HydrophobicContact CE1-CD2 4.46Å; F48-L91 HydrophobicContact CZ-CD2 4.32Å; I65-L91 HydrophobicContact CD1-CD2 3.55Å; V83-L91 HydrophobicContact CG1-CB 4.31Å; V83-L91 HydrophobicContact CG1-CD2 4.17Å; H84-L91 CarbonylContact O-C 3.51Å; H84-L91 WeakPolarHBondContact O-CA 3.33Å; M85-L91 HydrophobicContact CB-CD2 3.89Å; M85-L91 HydrophobicContact CG-CD2 3.82Å; M85-L91 HydrophobicContact SD-CD2 4.33Å; L91-V101 CarbonylContact O-C 3.57Å; L91-V101 WeakPolarHBondContact O-CA 3.4Å; L91-T102 PolarHBondContact N-O 2.79Å; L91-T102 PolarHBondContact O-N 2.86Å
92V91.1Very high86.6Confident13 Ų1358.4 Ų58.48%0.07932%0.316CS..EExtended strand (participates in β ladder)trans-121.8105.6179-175.90000108H84 E86 R90 K99 S100 V101H84-V92 PolarHBondContact N-O 2.74Å; H84-V92 PolarHBondContact O-N 2.84Å; E86-V92 HydrophobicContact CG-CG2 4.25Å; R90-V92 HydrophobicContact CG-CG2 4.23Å; V92-K99 HydrophobicContact CG1-CG 4.5Å; V92-S100 CarbonylContact C-O 3.5Å; V92-S100 WeakPolarHBondContact CA-O 3.43Å; V92-V101 HydrophobicContact CG1-CG2 4.39Å; V92-V101 HydrophobicContact CG2-CG1 4.44Å; V92-V101 HydrophobicContact CG2-CG2 4.48Å
93A88.9Confident86.7Confident9 Ų959.7 Ų59.77%0.07432%0.319CS..EExtended strand (participates in β ladder)trans-94.6132.7171.500000110.5V82 V83 S100V82-A93 WeakPolarHBondContact O-CA 3.3Å; V83-A93 HydrophobicContact CB-CB 4.34Å; V83-A93 HydrophobicContact CG1-CB 4.27Å; V83-A93 HydrophobicContact CG2-CB 3.73Å; A93-S100 PolarHBondContact N-O 2.77Å; A93-S100 PolarHBondContact O-N 2.86Å
94N85.5Confident86.7Confident77 Ų7759.8 Ų59.841%0.41232%0.319SS..EExtended strand (participates in β ladder)trans-115128.7170-71.2-83.5000109.3V82V82-N94 PolarHBondContact N-O 2.85Å; V82-N94 PolarHBondContact O-N 2.75Å
95M83.6Confident86.6Confident25 Ų2560.5 Ų60.512%0.12333%0.326CS..EExtended strand (participates in β ladder)trans-127.1160.9175.1-63.6178.1-61.200107.5M71 M73 V79 A81 G97 L98M71-M95 HydrophobicContact SD-SD 4.33Å; M73-M95 HydrophobicContact CE-CE 4.13Å; V79-M95 HydrophobicContact CG2-CG 4.43Å; V79-M95 HydrophobicContact CG2-SD 3.62Å; A81-M95 HydrophobicContact CB-CG 3.27Å; A81-M95 HydrophobicContact CB-SD 3.67Å; M95-G97 VanDerWaalsContact C-N 3.34Å; M95-G97 PolarHBondContact O-N 3.02Å; M95-L98 HydrophobicContact CB-CB 4.2Å; M95-L98 HydrophobicContact CE-CB 4.05Å; M95-L98 HydrophobicContact CE-CD1 4.04Å; M95-L98 HydrophobicContact CE-CD2 3.18Å; M95-L98 HydrophobicContact CE-CG 3.92Å; M95-L98 PolarHBondContact N-O 3.04Å; M95-L98 PolarHBondContact O-N 2.96Å; M95-L98 VanDerWaalsContact O-O 3.08Å
96K72.4Confident86.6Confident211 Ų21158.9 Ų58.992%0.91733%0.33SS*.THydrogen-bonded Turntrans-4587.3-178.1-80.9-176.6170.4-177.90113.7
97G77.6Confident86.7Confident62 Ų6258 Ų5864%0.63933%0.329SS*.THydrogen-bonded Turntrans82.2-2.2-176.700000116.7M95 F115M95-G97 VanDerWaalsContact C-N 3.34Å; M95-G97 PolarHBondContact O-N 3.02Å; G97-F115 WeakPolarHBondContact O-CD2 3.44Å
98L84.7Confident87.1Confident7 Ų758.9 Ų58.94%0.03732%0.32CS..EExtended strand (participates in β ladder)trans-113.5125.7177.3-165.3156.1000110.8F18 L22 M73 M95 L113 T114 F115F18-L98 HydrophobicContact CZ-CD1 3.85Å; F18-L98 HydrophobicContact CZ-CG 4.43Å; L22-L98 HydrophobicContact CD2-CD1 3.95Å; M73-L98 HydrophobicContact CE-CD1 3.86Å; M95-L98 HydrophobicContact CB-CB 4.2Å; M95-L98 HydrophobicContact CE-CB 4.05Å; M95-L98 HydrophobicContact CE-CD1 4.04Å; M95-L98 HydrophobicContact CE-CD2 3.18Å; M95-L98 HydrophobicContact CE-CG 3.92Å; M95-L98 PolarHBondContact N-O 3.04Å; M95-L98 PolarHBondContact O-N 2.96Å; M95-L98 VanDerWaalsContact O-O 3.08Å; L98-L113 HydrophobicContact CD2-CB 4.37Å; L98-L113 HydrophobicContact CD2-CD2 4.28Å; L98-L113 HydrophobicContact CD2-CG 4.37Å; L98-T114 CarbonylContact C-O 3.6Å; L98-T114 WeakPolarHBondContact CA-O 3.5Å; L98-F115 HydrophobicContact CB-CD2 3.81Å; L98-F115 HydrophobicContact CD1-CB 4.31Å; L98-F115 HydrophobicContact CD1-CD2 4.23Å; L98-F115 HydrophobicContact CG-CB 4.26Å; L98-F115 HydrophobicContact CG-CD2 4.25Å
99K88.9Confident87.7Confident100 Ų10053.5 Ų53.544%0.43529%0.291SS..EExtended strand (participates in β ladder)trans-108.7122.6173.6-172.9175.4-178.4178.30109.3V92 V101 L113 T114V92-K99 HydrophobicContact CG1-CG 4.5Å; K99-V101 HydrophobicContact CG-CG2 4.24Å; K99-L113 CarbonylContact O-C 3.56Å; K99-L113 WeakPolarHBondContact O-CA 3.39Å; K99-T114 PolarHBondContact N-O 2.99Å; K99-T114 PolarHBondContact O-N 3.46Å
100S89.4Confident87.9Confident19 Ų1951.1 Ų51.113%0.13328%0.279CS..EExtended strand (participates in β ladder)trans-112.5125.2173.7-179.40000109.3V92 A93 T112V92-S100 CarbonylContact C-O 3.5Å; V92-S100 WeakPolarHBondContact CA-O 3.43Å; A93-S100 PolarHBondContact N-O 2.77Å; A93-S100 PolarHBondContact O-N 2.86Å; S100-T112 CarbonylContact C-O 3.54Å; S100-T112 WeakPolarHBondContact CA-O 3.3Å
101V91.6Very high88Confident15 Ų1547.1 Ų47.19%0.09127%0.265CS..EExtended strand (participates in β ladder)trans-117.9121.7177.9-177.70000107.6R90 L91 V92 K99 E103 S111 T112R90-V101 HydrophobicContact CG-CG1 4.26Å; L91-V101 CarbonylContact O-C 3.57Å; L91-V101 WeakPolarHBondContact O-CA 3.4Å; V92-V101 HydrophobicContact CG1-CG2 4.39Å; V92-V101 HydrophobicContact CG2-CG1 4.44Å; V92-V101 HydrophobicContact CG2-CG2 4.48Å; K99-V101 HydrophobicContact CG-CG2 4.24Å; V101-E103 HydrophobicContact CG1-CG 4.16Å; V101-S111 CarbonylContact O-C 3.55Å; V101-S111 WeakPolarHBondContact O-CA 3.43Å; V101-T112 PolarHBondContact N-O 2.82Å; V101-T112 PolarHBondContact O-N 2.96Å
102T90.3Very high88.1Confident21 Ų2148.3 Ų48.313%0.12927%0.273CS..EExtended strand (participates in β ladder)trans-120.6119.8179.3-64.60000109.3F3 R90 L91 I109 T110 S111F3-T102 HydrophobicContact CE1-CG2 4.26Å; R90-T102 CarbonylContact C-O 3.57Å; R90-T102 WeakPolarHBondContact CA-O 3.44Å; L91-T102 PolarHBondContact N-O 2.79Å; L91-T102 PolarHBondContact O-N 2.86Å; T102-I109 HydrophobicContact CG2-CG2 3.59Å; T102-T110 CarbonylContact C-O 3.54Å; T102-T110 WeakPolarHBondContact CA-O 3.21Å; T102-S111 PolarHBondContact OG1-OG 3.04Å
103E91.3Very high88Confident67 Ų6749.2 Ų49.231%0.31328%0.277SS..EExtended strand (participates in β ladder)trans-119.3125.9-175.3-71.8171.397.500110N89 R90 V101 I109 T110N89-E103 CarbonylContact O-C 3.49Å; N89-E103 WeakPolarHBondContact O-CA 3.46Å; R90-E103 HydrophobicContact CB-CG 4.15Å; R90-E103 HydrophobicContact CG-CG 3.72Å; R90-E103 IonicContact NE-OE1 3.59Å; V101-E103 HydrophobicContact CG1-CG 4.16Å; E103-I109 CarbonylContact O-C 3.51Å; E103-I109 WeakPolarHBondContact O-CA 3.23Å; E103-T110 PolarHBondContact N-O 2.81Å; E103-T110 PolarHBondContact O-N 2.82Å
104L89.9Confident88.1Confident7 Ų751.3 Ų51.34%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-99.3115177.1178.271.7000109.9F3 Y7 N89 G106 I109F3-L104 HydrophobicContact CD1-CB 3.92Å; F3-L104 HydrophobicContact CD1-CD2 4.24Å; F3-L104 HydrophobicContact CE1-CB 3.49Å; F3-L104 VanDerWaalsContact CE1-CB 3.49Å; F3-L104 HydrophobicContact CE1-CD2 4.48Å; F3-L104 HydrophobicContact CG-CD2 4.27Å; F3-L104 HydrophobicContact CZ-CB 3.91Å; Y7-L104 HydrophobicContact CE1-CD1 4.11Å; N89-L104 HydrophobicContact CB-CB 4.28Å; N89-L104 VanDerWaalsContact CB-O 3.3Å; N89-L104 WeakPolarHBondContact CB-O 3.18Å; N89-L104 PolarHBondContact O-N 3.29Å; L104-G106 WeakPolarHBondContact CD1-O 3.38Å; L104-I109 HydrophobicContact CB-CG1 4.4Å; L104-I109 HydrophobicContact CD1-CD1 3.98Å; L104-I109 HydrophobicContact CD1-CG1 3.43Å; L104-I109 VanDerWaalsContact CD1-CG1 3.43Å
105N89.4Confident88.1Confident107 Ų10751.1 Ų51.157%0.57229%0.285SS*.EExtended strand (participates in β ladder)trans-116.791175.3-77.6-83.6000109.3D107 I108N105-D107 PolarHBondContact O-N 3.25Å; N105-I108 PolarHBondContact N-O 3.45Å; N105-I108 PolarHBondContact O-N 2.98Å
106G87.4Confident88.1Confident46 Ų4652.7 Ų52.747%0.47431%0.308SS..THydrogen-bonded Turntrans61.8-109.4-175.200000110.9L104L104-G106 WeakPolarHBondContact CD1-O 3.38Å
107D90.1Very high88.7Confident88 Ų8850.9 Ų50.947%0.47131%0.308SS..THydrogen-bonded Turntrans-97.54.5178.1-62.4-67.6000113.6N105 K125 R126N105-D107 PolarHBondContact O-N 3.25Å; D107-K125 CarbonylContact O-C 3.49Å; D107-K125 WeakPolarHBondContact O-CA 3.47Å; D107-R126 HydrophobicContact CB-CB 3.87Å; D107-R126 WeakPolarHBondContact O-CB 3.35Å; D107-R126 PolarHBondContact O-N 3.04Å; D107-R126 WeakPolarHBondContact OD1-CD 3.38Å; D107-R126 IonicContact OD1-NH1 2.78Å
108I91.3Very high89.3Confident73 Ų7350.3 Ų50.337%0.37429%0.29SS..EExtended strand (participates in β ladder)trans-112.2125.1-178.6-57.6176.7000109.6N105 I123 S124 K125N105-I108 PolarHBondContact N-O 3.45Å; N105-I108 PolarHBondContact O-N 2.98Å; I108-I123 HydrophobicContact CG2-CG2 3.66Å; I108-S124 CarbonylContact C-O 3.54Å; I108-S124 WeakPolarHBondContact CA-O 3.28Å; I108-K125 HydrophobicContact CG1-CG 4.45Å
109I91.6Very high89.5Confident1 Ų153 Ų531%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-101.1125.9168.8-71.4-173.5000109.5F3 Y7 I41 T102 E103 L104 S124F3-I109 HydrophobicContact CD1-CD1 4.19Å; Y7-I109 HydrophobicContact CD1-CB 4.2Å; Y7-I109 HydrophobicContact CD1-CD1 3.66Å; Y7-I109 HydrophobicContact CD1-CG1 3.72Å; Y7-I109 HydrophobicContact CD2-CD1 3.69Å; Y7-I109 HydrophobicContact CE1-CB 4.43Å; Y7-I109 HydrophobicContact CE1-CD1 3.35Å; Y7-I109 HydrophobicContact CE1-CG1 3.48Å; Y7-I109 VanDerWaalsContact CE1-CG1 3.48Å; Y7-I109 HydrophobicContact CE2-CD1 3.37Å; Y7-I109 HydrophobicContact CE2-CG1 4.41Å; Y7-I109 HydrophobicContact CG-CD1 3.83Å; Y7-I109 HydrophobicContact CG-CG1 4.29Å; I41-I109 HydrophobicContact CD1-CD1 3.49Å; I41-I109 VanDerWaalsContact CD1-CD1 3.49Å; T102-I109 HydrophobicContact CG2-CG2 3.59Å; E103-I109 CarbonylContact O-C 3.51Å; E103-I109 WeakPolarHBondContact O-CA 3.23Å; L104-I109 HydrophobicContact CB-CG1 4.4Å; L104-I109 HydrophobicContact CD1-CD1 3.98Å; L104-I109 HydrophobicContact CD1-CG1 3.43Å; L104-I109 VanDerWaalsContact CD1-CG1 3.43Å; I109-S124 PolarHBondContact N-O 2.83Å; I109-S124 PolarHBondContact O-N 3.19Å
110T91.9Very high89.6Confident26 Ų2648.9 Ų48.916%0.1629%0.291CS..EExtended strand (participates in β ladder)trans-107.6117.4169.4-55.50000108.8T102 E103 K121 R122 I123T102-T110 CarbonylContact C-O 3.54Å; T102-T110 WeakPolarHBondContact CA-O 3.21Å; E103-T110 PolarHBondContact N-O 2.81Å; E103-T110 PolarHBondContact O-N 2.82Å; T110-K121 HydrophobicContact CG2-CG 4.26Å; T110-R122 CarbonylContact C-O 3.57Å; T110-R122 WeakPolarHBondContact CA-O 3.43Å; T110-I123 HydrophobicContact CG2-CG1 4.42Å
111S90.7Very high89.6Confident5 Ų551.8 Ų51.84%0.03530%0.301CS..EExtended strand (participates in β ladder)trans-109.6122.5173.7-58.20000109.6V101 T102 K121 R122V101-S111 CarbonylContact O-C 3.55Å; V101-S111 WeakPolarHBondContact O-CA 3.43Å; T102-S111 PolarHBondContact OG1-OG 3.04Å; S111-K121 CarbonylContact O-C 3.58Å; S111-K121 WeakPolarHBondContact O-CA 3.46Å; S111-R122 PolarHBondContact N-O 3.42Å; S111-R122 PolarHBondContact O-N 2.86Å
112T91.5Very high89.6Confident36 Ų3652.2 Ų52.222%0.22130%0.301CS..EExtended strand (participates in β ladder)trans-117.4114.6178-50.90000108.8S100 V101 Y120S100-T112 CarbonylContact C-O 3.54Å; S100-T112 WeakPolarHBondContact CA-O 3.3Å; V101-T112 PolarHBondContact N-O 2.82Å; V101-T112 PolarHBondContact O-N 2.96Å; T112-Y120 CarbonylContact C-O 3.57Å; T112-Y120 WeakPolarHBondContact CA-O 3.45Å
113L89.8Confident89.6Confident31 Ų3153.8 Ų53.816%0.16231%0.308CS..EExtended strand (participates in β ladder)trans-104.4133.6175.3-7173.3000108.8F18 L98 K99 S119 Y120F18-L113 HydrophobicContact CE1-CB 4Å; F18-L113 HydrophobicContact CE1-CD2 3.82Å; F18-L113 HydrophobicContact CE2-CB 4.06Å; F18-L113 HydrophobicContact CZ-CB 3.48Å; F18-L113 VanDerWaalsContact CZ-CB 3.48Å; F18-L113 HydrophobicContact CZ-CD2 3.94Å; F18-L113 HydrophobicContact CZ-CG 4.37Å; L98-L113 HydrophobicContact CD2-CB 4.37Å; L98-L113 HydrophobicContact CD2-CD2 4.28Å; L98-L113 HydrophobicContact CD2-CG 4.37Å; K99-L113 CarbonylContact O-C 3.56Å; K99-L113 WeakPolarHBondContact O-CA 3.39Å; L113-S119 CarbonylContact O-C 3.58Å; L113-S119 WeakPolarHBondContact O-CA 3.43Å; L113-Y120 HydrophobicContact CB-CD1 4.2Å; L113-Y120 HydrophobicContact CD1-CD1 3.94Å; L113-Y120 HydrophobicContact CD1-CE1 4.31Å; L113-Y120 HydrophobicContact CD2-CD1 4.44Å; L113-Y120 HydrophobicContact CG-CD1 4.4Å; L113-Y120 PolarHBondContact N-O 3.35Å; L113-Y120 PolarHBondContact O-N 2.91Å
114T90.1Very high89.6Confident54 Ų5450.6 Ų50.633%0.33129%0.293SS..EExtended strand (participates in β ladder)trans-125.7127.1178.5-45.60000108.5L98 K99 L118L98-T114 CarbonylContact C-O 3.6Å; L98-T114 WeakPolarHBondContact CA-O 3.5Å; K99-T114 PolarHBondContact N-O 2.99Å; K99-T114 PolarHBondContact O-N 3.46Å; T114-L118 CarbonylContact C-O 3.57Å; T114-L118 WeakPolarHBondContact CA-O 3.27Å
115F86.6Confident89.8Confident72 Ų7255.4 Ų55.432%0.31631%0.314SS..EExtended strand (participates in β ladder)trans-136.5108178.1-176.2-106.7000109.2F18 G97 L98 D117 L118F18-F115 HydrophobicContact CD2-CB 4.45Å; F18-F115 HydrophobicContact CE2-CB 3.63Å; F18-F115 HydrophobicContact CZ-CB 4.24Å; G97-F115 WeakPolarHBondContact O-CD2 3.44Å; L98-F115 HydrophobicContact CB-CD2 3.81Å; L98-F115 HydrophobicContact CD1-CB 4.31Å; L98-F115 HydrophobicContact CD1-CD2 4.23Å; L98-F115 HydrophobicContact CG-CB 4.26Å; L98-F115 HydrophobicContact CG-CD2 4.25Å; F115-D117 PolarHBondContact O-N 3.49Å; F115-L118 PolarHBondContact N-O 3.42Å; F115-L118 PolarHBondContact O-N 2.97Å
116G84.1Confident89.9Confident59 Ų5955.3 Ų55.361%0.60831%0.306SS*.THydrogen-bonded Turntrans56.6-125.4-17000000111.3L118G116-L118 VanDerWaalsContact C-N 3.35Å
117D85.4Confident89.9Confident172 Ų17259.6 Ų59.692%0.9232%0.317SS*.THydrogen-bonded Turntrans-83.8-5.1176.8-58.2-87.1000114.1F115F115-D117 PolarHBondContact O-N 3.49Å
118L88.8Confident89.9Confident51 Ų5158.2 Ų58.227%0.26731%0.309SS..EExtended strand (participates in β ladder)trans-94.6128.8-179.3-66.8171.4000111.1P17 F18 A21 T114 F115 G116P17-L118 HydrophobicContact CB-CD2 4.24Å; F18-L118 HydrophobicContact CD2-CB 4.18Å; A21-L118 HydrophobicContact CB-CD1 3.36Å; T114-L118 CarbonylContact C-O 3.57Å; T114-L118 WeakPolarHBondContact CA-O 3.27Å; F115-L118 PolarHBondContact N-O 3.42Å; F115-L118 PolarHBondContact O-N 2.97Å; G116-L118 VanDerWaalsContact C-N 3.35Å
119S89.4Confident89.8Confident64 Ų6457.4 Ų57.445%0.44831%0.305SS..EExtended strand (participates in β ladder)trans-117.2123.1171.461.20000110.7N14 L113N14-S119 WeakPolarHBondContact CB-O 3.4Å; N14-S119 PolarHBondContact ND2-O 2.78Å; L113-S119 CarbonylContact O-C 3.58Å; L113-S119 WeakPolarHBondContact O-CA 3.43Å
120Y89.9Confident89.7Confident12 Ų1260.6 Ų60.65%0.04732%0.322CS..EExtended strand (participates in β ladder)trans-105.7128.8171.4166.1-114.7000109.6H12 E13 F15 F18 T112 L113 R122H12-Y120 HydrophobicContact CB-CE2 3.86Å; H12-Y120 AromaticContact ND1-CE2 3.94Å; E13-Y120 WeakPolarHBondContact O-CD2 3.43Å; F15-Y120 HydrophobicContact CB-CD2 4.1Å; F15-Y120 HydrophobicContact CB-CE2 3.73Å; F15-Y120 HydrophobicContact CD2-CD2 4.5Å; F15-Y120 AromaticContact CD2-CE2 3.68Å; F15-Y120 HydrophobicContact CD2-CE2 3.68Å; F15-Y120 AromaticContact CD2-CZ 3.86Å; F15-Y120 HydrophobicContact CG-CE2 4.2Å; F18-Y120 HydrophobicContact CB-CG 4.41Å; F18-Y120 HydrophobicContact CD1-CD1 4.21Å; F18-Y120 HydrophobicContact CD1-CG 4.05Å; F18-Y120 HydrophobicContact CE1-CD1 4.34Å; F18-Y120 VanDerWaalsContact CG-CB 3.4Å; F18-Y120 HydrophobicContact CG-CG 4.2Å; T112-Y120 CarbonylContact C-O 3.57Å; T112-Y120 WeakPolarHBondContact CA-O 3.45Å; L113-Y120 HydrophobicContact CB-CD1 4.2Å; L113-Y120 HydrophobicContact CD1-CD1 3.94Å; L113-Y120 HydrophobicContact CD1-CE1 4.31Å; L113-Y120 HydrophobicContact CD2-CD1 4.44Å; L113-Y120 HydrophobicContact CG-CD1 4.4Å; L113-Y120 PolarHBondContact N-O 3.35Å; L113-Y120 PolarHBondContact O-N 2.91Å; Y120-R122 HydrophobicContact CE1-CB 4.06Å; Y120-R122 HydrophobicContact CE2-CB 4.42Å; Y120-R122 WeakPolarHBondContact OH-CB 3.44Å
121K91.1Very high89.6Confident80 Ų8062.6 Ų62.635%0.34833%0.332SS..EExtended strand (participates in β ladder)trans-122.1135.4178.2-173.4179.9176.1-168.90109.6H12 E13 T110 S111H12-K121 CarbonylContact C-O 3.58Å; H12-K121 WeakPolarHBondContact CA-O 3.08Å; E13-K121 HydrophobicContact CB-CB 4.44Å; E13-K121 PolarHBondContact N-O 3.17Å; E13-K121 PolarHBondContact O-N 3.2Å; E13-K121 VanDerWaalsContact O-N 3.09Å; T110-K121 HydrophobicContact CG2-CG 4.26Å; S111-K121 CarbonylContact O-C 3.58Å; S111-K121 WeakPolarHBondContact O-CA 3.46Å
122R89.9Confident89.6Confident24 Ų2466.2 Ų66.29%0.09135%0.35CS..EExtended strand (participates in β ladder)trans-131.4141.6175.6112.5-172.9175158.17.9109.9L9 H12 S39 T110 S111 Y120L9-R122 HydrophobicContact CD1-CB 3.95Å; L9-R122 HydrophobicContact CD1-CG 3.86Å; H12-R122 HydrophobicContact CB-CB 4.07Å; S39-R122 VanDerWaalsContact CB-NH2 3.28Å; S39-R122 PolarHBondContact OG-NH1 3.08Å; S39-R122 VanDerWaalsContact OG-NH1 3.17Å; S39-R122 PolarHBondContact OG-NH2 3.17Å; T110-R122 CarbonylContact C-O 3.57Å; T110-R122 WeakPolarHBondContact CA-O 3.43Å; S111-R122 PolarHBondContact N-O 3.42Å; S111-R122 PolarHBondContact O-N 2.86Å; Y120-R122 HydrophobicContact CE1-CB 4.06Å; Y120-R122 HydrophobicContact CE2-CB 4.42Å; Y120-R122 WeakPolarHBondContact OH-CB 3.44Å
123I92.1Very high89.4Confident54 Ų5468.2 Ų68.228%0.27736%0.359SS..EExtended strand (participates in β ladder)trans-121.2121.1177.5-55.4174.2000107Q10 S11 I108 T110Q10-I123 WeakPolarHBondContact CB-O 3.24Å; Q10-I123 PolarHBondContact N-O 2.81Å; S11-I123 PolarHBondContact N-O 2.86Å; S11-I123 PolarHBondContact O-N 2.91Å; I108-I123 HydrophobicContact CG2-CG2 3.66Å; T110-I123 HydrophobicContact CG2-CG1 4.42Å
124S91.6Very high89.4Confident0 Ų070.9 Ų70.90%037%0.373CS..EExtended strand (participates in β ladder)trans-122.9140.4179.1-54.70000109.5E8 I108 I109E8-S124 CarbonylContact O-C 3.46Å; E8-S124 WeakPolarHBondContact O-CA 3.07Å; E8-S124 WeakPolarHBondContact O-CB 3.4Å; I108-S124 CarbonylContact C-O 3.54Å; I108-S124 WeakPolarHBondContact CA-O 3.28Å; I109-S124 PolarHBondContact N-O 2.83Å; I109-S124 PolarHBondContact O-N 3.19Å
125K92.7Very high89.3Confident108 Ų10872.2 Ų72.247%0.4738%0.376SS..EExtended strand (participates in β ladder)trans-111.6139.9178.5-174-179.9178.3-176.70109.7Y7 E8 Q10 D107 I108Y7-K125 CarbonylContact C-O 3.56Å; Y7-K125 VanDerWaalsContact CA-O 3.31Å; Y7-K125 WeakPolarHBondContact CA-O 3.39Å; E8-K125 PolarHBondContact N-O 2.81Å; E8-K125 PolarHBondContact O-N 3.07Å; Q10-K125 HydrophobicContact CG-CB 3.56Å; D107-K125 CarbonylContact O-C 3.49Å; D107-K125 WeakPolarHBondContact O-CA 3.47Å; I108-K125 HydrophobicContact CG1-CG 4.45Å
126R91.8Very high89.6Confident105 Ų10572.2 Ų72.240%0.39638%0.381SS..EExtended strand (participates in β ladder)trans-61.4137176.9-156.6-179.3-163.4-173.23.5110.3T4 K6 Y7 D107T4-R126 PolarHBondContact O-NH2 2.81Å; K6-R126 VanDerWaalsContact O-CA 3.24Å; K6-R126 WeakPolarHBondContact O-CA 3.43Å; K6-R126 WeakPolarHBondContact O-CG 3.47Å; Y7-R126 HydrophobicContact CD1-CB 3.93Å; Y7-R126 HydrophobicContact CD1-CG 4.25Å; Y7-R126 HydrophobicContact CE1-CB 3.87Å; Y7-R126 HydrophobicContact CE1-CG 3.94Å; D107-R126 HydrophobicContact CB-CB 3.87Å; D107-R126 WeakPolarHBondContact O-CB 3.35Å; D107-R126 PolarHBondContact O-N 3.04Å; D107-R126 WeakPolarHBondContact OD1-CD 3.38Å; D107-R126 IonicContact OD1-NH1 2.78Å
127I88.1Confident90.1Very high137 Ų13773.4 Ų73.470%0.70336%0.36SS*.  trans-119.10176.360.1166.8000111.2K6 E8 I38K6-I127 HydrophobicContact CB-CD1 4.32Å; K6-I127 HydrophobicContact CB-CG1 3.81Å; K6-I127 PolarHBondContact O-N 2.72Å; E8-I127 HydrophobicContact CB-CD1 4.43Å; E8-I127 HydrophobicContact CB-CG2 3.64Å; I38-I127 HydrophobicContact CD1-CD1 4.2Å; I38-I127 HydrophobicContact CG2-CD1 4.37Å

Retrieved 127 of 127 residues in 229.6 ms (Link to these results)

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