A0A096MHS5_POEFO Loading...

DNA-directed RNA polymerase subunit

DNA-dependent RNA polymerase which catalyzes the transcription of DNA into RNA using the four ribonucleoside triphosphates as substrates.

AlphaFold DB , UniProt , Accession A0A096MHS5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 109 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
1M84.4Confident92.1Very high107 Ų10777.9 Ų77.953%0.52738%0.377SS..  0156.10-168.964.190.800110.7Y3 R78 E83M1-Y3 HydrophobicContact CB-CE2 3.71Å; M1-Y3 HydrophobicContact CG-CE1 4.47Å; M1-Y3 HydrophobicContact CG-CE2 4.25Å; M1-R78 PolarHBondContact N-O 3.21Å; M1-R78 PolarHBondContact O-N 2.85Å; M1-E83 VanDerWaalsContact CA-OE1 3.23Å; M1-E83 WeakPolarHBondContact CA-OE1 3.38Å; M1-E83 VanDerWaalsContact CB-OE1 3.26Å; M1-E83 WeakPolarHBondContact CB-OE1 3.47Å; M1-E83 VanDerWaalsContact N-CD 3.27Å; M1-E83 PolarHBondContact N-OE1 2.74Å; M1-E83 PolarHBondContact N-OE2 2.84Å
2F87.1Confident92.1Very high100 Ų10077.8 Ų77.844%0.43938%0.379SS..EExtended strand (participates in β ladder)trans-90140.3171.5-62.1-77.1000111.6I46 I75 V76 F77F2-I46 HydrophobicContact CD1-CD1 3.42Å; F2-I46 VanDerWaalsContact CD1-CD1 3.42Å; F2-I46 HydrophobicContact CE1-CD1 3.29Å; F2-I75 HydrophobicContact CD1-CG2 4.46Å; F2-V76 CarbonylContact C-O 3.51Å; F2-V76 WeakPolarHBondContact CA-O 3.1Å; F2-F77 HydrophobicContact CD1-CB 4.02Å; F2-F77 AromaticContact CD1-CD2 3.69Å; F2-F77 HydrophobicContact CD1-CD2 3.69Å; F2-F77 HydrophobicContact CD1-CG 4.32Å; F2-F77 HydrophobicContact CD2-CD2 4.46Å; F2-F77 HydrophobicContact CE1-CB 3.95Å; F2-F77 AromaticContact CE1-CD2 3.47Å; F2-F77 HydrophobicContact CE1-CD2 3.47Å; F2-F77 VanDerWaalsContact CE1-CD2 3.47Å; F2-F77 HydrophobicContact CE1-CE2 4.33Å; F2-F77 HydrophobicContact CE1-CG 4.02Å; F2-F77 HydrophobicContact CE2-CD2 4.29Å; F2-F77 HydrophobicContact CE2-CE2 4.49Å; F2-F77 HydrophobicContact CG-CD2 4.18Å; F2-F77 AromaticContact CZ-CD2 3.81Å; F2-F77 HydrophobicContact CZ-CD2 3.81Å; F2-F77 HydrophobicContact CZ-CE2 4.23Å
3Y91.3Very high92Very high92 Ų9271.9 Ų71.936%0.36135%0.35SS..EExtended strand (participates in β ladder)trans-132.6141.1-179.8-63.4-81.6000110.9M1 I75 V76 R78 F80M1-Y3 HydrophobicContact CB-CE2 3.71Å; M1-Y3 HydrophobicContact CG-CE1 4.47Å; M1-Y3 HydrophobicContact CG-CE2 4.25Å; Y3-I75 CarbonylContact O-C 3.59Å; Y3-I75 WeakPolarHBondContact O-CA 3.43Å; Y3-V76 PolarHBondContact N-O 2.82Å; Y3-V76 PolarHBondContact O-N 2.81Å; Y3-R78 HydrophobicContact CD2-CB 4.33Å; Y3-R78 HydrophobicContact CE2-CB 4.3Å; Y3-F80 AromaticContact CE2-CE2 3.8Å; Y3-F80 HydrophobicContact CE2-CE2 3.8Å; Y3-F80 HydrophobicContact CE2-CZ 4.41Å; Y3-F80 AromaticContact CZ-CE2 3.84Å; Y3-F80 WeakPolarHBondContact OH-CE2 3.45Å
4H93.3Very high91.9Very high108 Ų10872.9 Ų72.950%0.535%0.353SS..EExtended strand (participates in β ladder)trans-103.4108.1169.6-178.2-111.4000108.5
5I93.7Very high91.5Very high50 Ų5071.6 Ų71.626%0.25635%0.353SS..EExtended strand (participates in β ladder)trans-130.9152.5-173.259.1168.8000111.5L7 Y42 K73 A74 V76I5-L7 HydrophobicContact CD1-CD1 4.29Å; I5-L7 HydrophobicContact CD1-CD2 3.7Å; I5-L7 HydrophobicContact CD1-CG 4.02Å; I5-L7 HydrophobicContact CG1-CD1 4.48Å; I5-L7 HydrophobicContact CG1-CD2 4.34Å; I5-L7 HydrophobicContact CG1-CG 4.15Å; I5-Y42 HydrophobicContact CD1-CD1 3.86Å; I5-Y42 HydrophobicContact CD1-CG 4.44Å; I5-K73 WeakPolarHBondContact O-CA 3.34Å; I5-A74 PolarHBondContact N-O 2.84Å; I5-A74 VanDerWaalsContact N-O 3.07Å; I5-A74 PolarHBondContact O-N 3.43Å; I5-V76 HydrophobicContact CD1-CG1 4.01Å; I5-V76 HydrophobicContact CD1-CG2 3.67Å; I5-V76 HydrophobicContact CG1-CG1 4.05Å; I5-V76 HydrophobicContact CG1-CG2 3.87Å
6S94.8Very high91.2Very high80 Ų8080.2 Ų80.256%0.55938%0.38SS*.EExtended strand (participates in β ladder)trans-85.1130.4169-64.70000110.1Y72S6-Y72 CarbonylContact C-O 3.52Å; S6-Y72 WeakPolarHBondContact CA-O 3.37Å
7L93.9Very high90.8Very high11 Ų1183.2 Ų83.26%0.05839%0.388CS..EExtended strand (participates in β ladder)trans-125158.7178.6-66.9175.5000110I5 Y42 V45 K71 Y72 A74 V76I5-L7 HydrophobicContact CD1-CD1 4.29Å; I5-L7 HydrophobicContact CD1-CD2 3.7Å; I5-L7 HydrophobicContact CD1-CG 4.02Å; I5-L7 HydrophobicContact CG1-CD1 4.48Å; I5-L7 HydrophobicContact CG1-CD2 4.34Å; I5-L7 HydrophobicContact CG1-CG 4.15Å; L7-Y42 HydrophobicContact CD2-CD1 3.65Å; L7-Y42 HydrophobicContact CD2-CD2 3.92Å; L7-Y42 HydrophobicContact CD2-CE1 3.72Å; L7-Y42 HydrophobicContact CD2-CE2 4.01Å; L7-Y42 HydrophobicContact CD2-CG 3.75Å; L7-V45 HydrophobicContact CD1-CG2 4.4Å; L7-K71 WeakPolarHBondContact O-CA 3.47Å; L7-Y72 HydrophobicContact CB-CD1 4.46Å; L7-Y72 HydrophobicContact CB-CE1 3.84Å; L7-Y72 HydrophobicContact CB-CE2 3.99Å; L7-Y72 HydrophobicContact CD1-CE2 4.19Å; L7-Y72 PolarHBondContact N-O 2.94Å; L7-Y72 WeakPolarHBondContact O-CD1 3.31Å; L7-Y72 PolarHBondContact O-N 2.87Å; L7-Y72 VanDerWaalsContact O-O 3.13Å; L7-A74 HydrophobicContact CD1-CB 4.3Å; L7-V76 HydrophobicContact CD1-CG1 4.16Å
8E93.6Very high90.4Very high135 Ų13583.6 Ų83.663%0.63139%0.388SS*.EExtended strand (participates in β ladder)trans-122131.7175.9-53.5-169.2168.700108.2V70 K71E8-V70 WeakPolarHBondContact CA-O 3.29Å; E8-K71 HydrophobicContact CG-CD 4.33Å; E8-K71 HydrophobicContact CG-CG 4.05Å; E8-K71 WeakPolarHBondContact OE1-CD 3.01Å; E8-K71 WeakPolarHBondContact OE1-CE 3.46Å; E8-K71 IonicContact OE1-NZ 2.86Å; E8-K71 PolarHBondContact OE1-NZ 3.05Å
9H93.9Very high90.1Very high53 Ų5381.3 Ų81.325%0.24539%0.39CS..EExtended strand (participates in β ladder)trans-135.5142.1177.2-17467.5000110.3L30 E33 V34 V70 Y72H9-L30 HydrophobicContact CB-CD1 3.99Å; H9-E33 IonicContact CD2-OE2 3.83Å; H9-E33 IonicContact CE1-OE2 3.92Å; H9-E33 IonicContact NE2-OE2 3.81Å; H9-E33 PolarHBondContact NE2-OE2 2.87Å; H9-V34 HydrophobicContact CB-CG1 4.23Å; H9-V70 PolarHBondContact N-O 3.18Å; H9-V70 PolarHBondContact O-N 3.48Å; H9-Y72 HydrophobicContact CB-CD1 4.47Å; H9-Y72 HydrophobicContact CB-CE1 3.58Å
10E93.9Very high89.9Confident121 Ų12184.2 Ų84.257%0.56542%0.415SS*.EExtended strand (participates in β ladder)trans-104.2114.2-177.2-66.4-172.4149.300110.1L67E10-L67 HydrophobicContact CB-CD1 4.3Å; E10-L67 HydrophobicContact CB-CD2 3.72Å; E10-L67 HydrophobicContact CB-CG 4.02Å; E10-L67 HydrophobicContact CG-CD2 3.77Å
11I93.5Very high89.8Confident0 Ų085 Ų850%042%0.422CS..EExtended strand (participates in β ladder)trans-96.2118.8-177.9-64.4176.3000109.8V26 K29 L30 L67 Y68 V70I11-V26 HydrophobicContact CD1-CG1 3.75Å; I11-V26 VanDerWaalsContact CD1-O 3.29Å; I11-V26 WeakPolarHBondContact CD1-O 3.46Å; I11-K29 HydrophobicContact CG2-CB 4.25Å; I11-K29 HydrophobicContact CG2-CD 3.79Å; I11-K29 HydrophobicContact CG2-CG 3.97Å; I11-L30 HydrophobicContact CD1-CB 3.62Å; I11-L30 HydrophobicContact CD1-CD1 3.87Å; I11-L30 HydrophobicContact CD1-CG 4.33Å; I11-L30 HydrophobicContact CG1-CD1 4.49Å; I11-L67 WeakPolarHBondContact O-CA 3.4Å; I11-Y68 PolarHBondContact N-O 3.37Å; I11-Y68 PolarHBondContact O-N 2.92Å; I11-V70 HydrophobicContact CD1-CG2 4.07Å
12L91.8Very high90Very high77 Ų7781.8 Ų81.840%0.40341%0.406SS..EExtended strand (participates in β ladder)trans-85.1118.7172.2-71.2168.5000110.3K29 L67L12-K29 PolarHBondContact O-NZ 2.98Å; L12-L67 HydrophobicContact CD2-CB 4Å; L12-L67 HydrophobicContact CD2-CD1 4.08Å; L12-L67 HydrophobicContact CD2-CG 4.14Å
13L91.5Very high90.1Very high1 Ų181.8 Ų81.81%0.00541%0.41CS..EExtended strand (participates in β ladder)trans-119.9135.6179.9-158.171.1000111.6Y17 F18 L22 T25 V26 K29 V66 Y68L13-Y17 HydrophobicContact CD1-CD2 4.09Å; L13-Y17 HydrophobicContact CD1-CG 4.29Å; L13-Y17 HydrophobicContact CG-CD2 4.43Å; L13-F18 HydrophobicContact CB-CE1 4.49Å; L13-F18 HydrophobicContact CD2-CD1 4.08Å; L13-F18 HydrophobicContact CD2-CE1 3.97Å; L13-F18 HydrophobicContact CG-CE1 4.44Å; L13-L22 HydrophobicContact CD2-CD1 3.25Å; L13-T25 HydrophobicContact CD1-CG2 3.98Å; L13-V26 HydrophobicContact CD2-CG2 4.21Å; L13-K29 HydrophobicContact CD1-CD 4.17Å; L13-V66 PolarHBondContact N-O 3.02Å; L13-V66 PolarHBondContact O-N 3.02Å; L13-Y68 HydrophobicContact CB-CD2 4.29Å; L13-Y68 HydrophobicContact CB-CE2 4.27Å; L13-Y68 HydrophobicContact CD2-CE2 4.42Å
14H89.4Confident90.2Very high85 Ų8581.6 Ų81.639%0.39442%0.416SS..  trans-78.7140.6173.3-171.7-94.5000109.8R16 Y17 F65H14-R16 WeakPolarHBondContact ND1-CB 3.26Å; H14-R16 PolarHBondContact ND1-N 2.89Å; H14-R16 VanDerWaalsContact ND1-N 3.19Å; H14-R16 PolarHBondContact O-N 2.71Å; H14-Y17 HydrophobicContact CB-CD2 4.01Å; H14-Y17 HydrophobicContact CB-CE2 4.19Å; H14-Y17 PolarHBondContact O-N 3.06Å; H14-F65 HydrophobicContact CB-CD1 4.16Å; H14-F65 HydrophobicContact CB-CE1 3.83Å; H14-F65 AromaticContact CD2-CE1 3.69Å; H14-F65 AromaticContact CD2-CZ 3.75Å
15P86.3Confident90.1Very high54 Ų5478.1 Ų78.135%0.35140%0.402SS..G310 helixtrans-55.4-22-179.1-28.635.7000115.1Y17 F18 G64P15-Y17 PolarHBondContact O-N 3.24Å; P15-F18 HydrophobicContact CB-CD2 4.31Å; P15-F18 HydrophobicContact CB-CE2 4.41Å; P15-F18 WeakPolarHBondContact O-CB 3.23Å; P15-F18 WeakPolarHBondContact O-CG 3.4Å; P15-F18 PolarHBondContact O-N 2.87Å; P15-G64 VanDerWaalsContact CD-O 3.31Å; P15-G64 WeakPolarHBondContact CD-O 3.33Å; P15-G64 WeakPolarHBondContact CG-O 3.5Å
16R86.9Confident90.1Very high209 Ų20975.9 Ų75.979%0.78939%0.391SS*.G310 helixtrans-59.2-27.5175-176.1175.8176.8176.4-0.1113.5H14 F18H14-R16 WeakPolarHBondContact ND1-CB 3.26Å; H14-R16 PolarHBondContact ND1-N 2.89Å; H14-R16 VanDerWaalsContact ND1-N 3.19Å; H14-R16 PolarHBondContact O-N 2.71Å; R16-F18 VanDerWaalsContact C-N 3.27Å
17Y85.1Confident90Very high132 Ų13276 Ų7652%0.51838%0.381SS..G310 helixtrans-89.66.4178.8-60.6-71.8000112.7L13 H14 P15 T25L13-Y17 HydrophobicContact CD1-CD2 4.09Å; L13-Y17 HydrophobicContact CD1-CG 4.29Å; L13-Y17 HydrophobicContact CG-CD2 4.43Å; H14-Y17 HydrophobicContact CB-CD2 4.01Å; H14-Y17 HydrophobicContact CB-CE2 4.19Å; H14-Y17 PolarHBondContact O-N 3.06Å; P15-Y17 PolarHBondContact O-N 3.24Å; Y17-T25 HydrophobicContact CD1-CG2 4.43Å; Y17-T25 HydrophobicContact CG-CG2 4.4Å
18F83Confident89.9Confident89 Ų8982 Ų8239%0.3941%0.409SS..  trans-75.7137.4176.1-68.82.8000110.1L13 P15 R16 L22 V66 Y68L13-F18 HydrophobicContact CB-CE1 4.49Å; L13-F18 HydrophobicContact CD2-CD1 4.08Å; L13-F18 HydrophobicContact CD2-CE1 3.97Å; L13-F18 HydrophobicContact CG-CE1 4.44Å; P15-F18 HydrophobicContact CB-CD2 4.31Å; P15-F18 HydrophobicContact CB-CE2 4.41Å; P15-F18 WeakPolarHBondContact O-CB 3.23Å; P15-F18 WeakPolarHBondContact O-CG 3.4Å; P15-F18 PolarHBondContact O-N 2.87Å; R16-F18 VanDerWaalsContact C-N 3.27Å; F18-L22 HydrophobicContact CD1-CD1 3.74Å; F18-L22 HydrophobicContact CE1-CD1 4.05Å; F18-V66 HydrophobicContact CE1-CB 4.35Å; F18-V66 HydrophobicContact CE1-CG2 4.42Å; F18-V66 HydrophobicContact CE2-CG2 3.97Å; F18-V66 HydrophobicContact CZ-CB 3.67Å; F18-V66 HydrophobicContact CZ-CG1 4.25Å; F18-V66 HydrophobicContact CZ-CG2 3.38Å; F18-Y68 HydrophobicContact CE1-CE2 4.18Å; F18-Y68 HydrophobicContact CZ-CE2 4.46Å
19G85.1Confident89.9Confident41 Ų4178.6 Ų78.642%0.42339%0.392SS..SBendtrans160.5-170.7-177.600000111.7N21 L22G19-N21 PolarHBondContact O-N 3.11Å; G19-N21 VanDerWaalsContact O-N 3.08Å; G19-L22 VanDerWaalsContact O-CB 3.31Å; G19-L22 WeakPolarHBondContact O-CB 3.42Å; G19-L22 PolarHBondContact O-N 2.95Å
20P85.8Confident89.9Confident138 Ų13876.1 Ų76.190%0.89638%0.38SS*.THydrogen-bonded Turntrans-60.1-23.2-178.323.7-33.6000113.2
21N88.3Confident89.9Confident103 Ų10373.7 Ų73.755%0.55137%0.368SS*.THydrogen-bonded Turntrans-96.811.6-179.6-68.8-32.9000114.3G19 L23 N24 T25G19-N21 PolarHBondContact O-N 3.11Å; G19-N21 VanDerWaalsContact O-N 3.08Å; N21-L23 VanDerWaalsContact C-N 3.31Å; N21-L23 PolarHBondContact O-N 2.96Å; N21-N24 WeakPolarHBondContact O-CB 3.15Å; N21-N24 PolarHBondContact O-N 3.36Å; N21-T25 PolarHBondContact O-N 2.86Å; N21-T25 PolarHBondContact O-OG1 2.85Å
22L88.9Confident89.9Confident38 Ų3879.3 Ų79.320%0.19940%0.403CS..Hα-helixtrans-49.2-50.1-177.217666.9000112.6L13 F18 G19 N24 T25 V26 Y68L13-L22 HydrophobicContact CD2-CD1 3.25Å; F18-L22 HydrophobicContact CD1-CD1 3.74Å; F18-L22 HydrophobicContact CE1-CD1 4.05Å; G19-L22 VanDerWaalsContact O-CB 3.31Å; G19-L22 WeakPolarHBondContact O-CB 3.42Å; G19-L22 PolarHBondContact O-N 2.95Å; L22-N24 VanDerWaalsContact C-N 3.29Å; L22-N24 PolarHBondContact O-N 2.98Å; L22-T25 PolarHBondContact O-N 3.21Å; L22-V26 HydrophobicContact CD1-CG2 4.37Å; L22-V26 WeakPolarHBondContact O-CG2 3.23Å; L22-V26 PolarHBondContact O-N 3.4Å; L22-Y68 HydrophobicContact CD1-CE2 4.43Å
23L89.1Confident89.9Confident100 Ų10079.1 Ų79.152%0.52440%0.4SS..Hα-helixtrans-61.2-39.8-179.3-64.5179000111.8N21 V26 K27 I54N21-L23 VanDerWaalsContact C-N 3.31Å; N21-L23 PolarHBondContact O-N 2.96Å; L23-V26 PolarHBondContact O-N 2.83Å; L23-K27 VanDerWaalsContact O-CG 3.25Å; L23-K27 WeakPolarHBondContact O-CG 3.45Å; L23-K27 PolarHBondContact O-N 3.24Å; L23-I54 HydrophobicContact CD2-CD1 3.99Å; L23-I54 HydrophobicContact CD2-CG2 4.49Å
24N92Very high89.9Confident88 Ų8879.2 Ų79.247%0.47140%0.4SS..Hα-helixtrans-67-40.9178.3-66.2-26.1000111.1N21 L22 K27 Q28N21-N24 WeakPolarHBondContact O-CB 3.15Å; N21-N24 PolarHBondContact O-N 3.36Å; L22-N24 VanDerWaalsContact C-N 3.29Å; L22-N24 PolarHBondContact O-N 2.98Å; N24-K27 PolarHBondContact O-N 2.77Å; N24-Q28 WeakPolarHBondContact O-CB 3.33Å; N24-Q28 WeakPolarHBondContact O-CG 3.33Å; N24-Q28 PolarHBondContact O-N 3.44Å
25T92.3Very high90Very high36 Ų3679 Ų7922%0.22140%0.4CS..Hα-helixtrans-63.2-42.7175.4-53.30000111.8L13 Y17 N21 L22 Q28 K29L13-T25 HydrophobicContact CD1-CG2 3.98Å; Y17-T25 HydrophobicContact CD1-CG2 4.43Å; Y17-T25 HydrophobicContact CG-CG2 4.4Å; N21-T25 PolarHBondContact O-N 2.86Å; N21-T25 PolarHBondContact O-OG1 2.85Å; L22-T25 PolarHBondContact O-N 3.21Å; T25-Q28 PolarHBondContact O-N 2.91Å; T25-K29 WeakPolarHBondContact O-CB 3.41Å; T25-K29 PolarHBondContact O-N 2.96Å
26V92.5Very high90Very high2 Ų279.2 Ų79.21%0.01241%0.411CS..Hα-helixtrans-62-44.6175.7174.10000110.6I11 L13 L22 L23 K29 L30 Y68 V70I11-V26 HydrophobicContact CD1-CG1 3.75Å; I11-V26 VanDerWaalsContact CD1-O 3.29Å; I11-V26 WeakPolarHBondContact CD1-O 3.46Å; L13-V26 HydrophobicContact CD2-CG2 4.21Å; L22-V26 HydrophobicContact CD1-CG2 4.37Å; L22-V26 WeakPolarHBondContact O-CG2 3.23Å; L22-V26 PolarHBondContact O-N 3.4Å; L23-V26 PolarHBondContact O-N 2.83Å; V26-K29 PolarHBondContact O-N 2.83Å; V26-L30 PolarHBondContact O-N 2.8Å; V26-Y68 HydrophobicContact CG2-CD2 4.36Å; V26-Y68 HydrophobicContact CG2-CG 4.46Å; V26-V70 HydrophobicContact CG1-CG2 3.9Å
27K92.3Very high90.1Very high84 Ų8471.7 Ų71.737%0.36539%0.389SS..Hα-helixtrans-61.5-49.2176.8-70.4-178-177.6-179.20112.4L23 N24 K29 L30 F31 I51L23-K27 VanDerWaalsContact O-CG 3.25Å; L23-K27 WeakPolarHBondContact O-CG 3.45Å; L23-K27 PolarHBondContact O-N 3.24Å; N24-K27 PolarHBondContact O-N 2.77Å; K27-K29 VanDerWaalsContact C-N 3.28Å; K27-K29 PolarHBondContact O-N 2.93Å; K27-L30 WeakPolarHBondContact O-CB 3.21Å; K27-L30 PolarHBondContact O-N 2.9Å; K27-F31 HydrophobicContact CB-CE2 4.17Å; K27-F31 WeakPolarHBondContact O-CD2 3.35Å; K27-F31 WeakPolarHBondContact O-CG 3.4Å; K27-F31 PolarHBondContact O-N 2.74Å; K27-I51 HydrophobicContact CB-CD1 4.14Å; K27-I51 HydrophobicContact CD-CD1 4.13Å; K27-I51 HydrophobicContact CG-CD1 3.61Å
28Q92.9Very high90.1Very high135 Ų13569 Ų6963%0.63139%0.388SS*.Hα-helixtrans-59.4-43.3178.1-76.5-170.9-3900111.5N24 T25 L30 F31 T32N24-Q28 WeakPolarHBondContact O-CB 3.33Å; N24-Q28 WeakPolarHBondContact O-CG 3.33Å; N24-Q28 PolarHBondContact O-N 3.44Å; T25-Q28 PolarHBondContact O-N 2.91Å; Q28-L30 VanDerWaalsContact C-N 3.33Å; Q28-L30 PolarHBondContact O-N 3.07Å; Q28-F31 PolarHBondContact O-N 3.47Å; Q28-T32 PolarHBondContact O-N 3.23Å; Q28-T32 PolarHBondContact O-OG1 2.86Å; Q28-T32 VanDerWaalsContact O-OG1 3.06Å
29K93.4Very high90.3Very high65 Ų6567.5 Ų67.528%0.28339%0.387SS..Hα-helixtrans-64.8-38.2178-167159.7-178.5174.70112.1I11 L12 L13 T25 V26 K27 T32 E33I11-K29 HydrophobicContact CG2-CB 4.25Å; I11-K29 HydrophobicContact CG2-CD 3.79Å; I11-K29 HydrophobicContact CG2-CG 3.97Å; L12-K29 PolarHBondContact O-NZ 2.98Å; L13-K29 HydrophobicContact CD1-CD 4.17Å; T25-K29 WeakPolarHBondContact O-CB 3.41Å; T25-K29 PolarHBondContact O-N 2.96Å; V26-K29 PolarHBondContact O-N 2.83Å; K27-K29 VanDerWaalsContact C-N 3.28Å; K27-K29 PolarHBondContact O-N 2.93Å; K29-T32 PolarHBondContact O-N 2.82Å; K29-E33 WeakPolarHBondContact CE-OE1 3.41Å; K29-E33 HydrophobicContact CG-CG 4.32Å; K29-E33 WeakPolarHBondContact CG-OE1 3.46Å; K29-E33 IonicContact NZ-OE1 2.67Å; K29-E33 WeakPolarHBondContact O-CB 3.47Å; K29-E33 WeakPolarHBondContact O-CG 3.33Å; K29-E33 PolarHBondContact O-N 3.03Å
30L94.1Very high90.2Very high0 Ų069.2 Ų69.20%040%0.404CS..Hα-helixtrans-55.9-56.2171.7-172.670.4000110.4H9 I11 V26 K27 Q28 T32 E33 V34 V48 I51 V70 Y72H9-L30 HydrophobicContact CB-CD1 3.99Å; I11-L30 HydrophobicContact CD1-CB 3.62Å; I11-L30 HydrophobicContact CD1-CD1 3.87Å; I11-L30 HydrophobicContact CD1-CG 4.33Å; I11-L30 HydrophobicContact CG1-CD1 4.49Å; V26-L30 PolarHBondContact O-N 2.8Å; K27-L30 WeakPolarHBondContact O-CB 3.21Å; K27-L30 PolarHBondContact O-N 2.9Å; Q28-L30 VanDerWaalsContact C-N 3.33Å; Q28-L30 PolarHBondContact O-N 3.07Å; L30-T32 VanDerWaalsContact C-N 3.32Å; L30-T32 PolarHBondContact O-N 3.16Å; L30-E33 PolarHBondContact O-N 2.78Å; L30-V34 HydrophobicContact CD1-CG1 3.84Å; L30-V34 HydrophobicContact CG-CG1 4.41Å; L30-V34 HydrophobicContact CG-CG2 4.3Å; L30-V34 WeakPolarHBondContact O-CG1 3.12Å; L30-V34 WeakPolarHBondContact O-CG2 3.25Å; L30-V34 PolarHBondContact O-N 2.89Å; L30-V48 HydrophobicContact CD2-CG1 4.49Å; L30-I51 HydrophobicContact CD2-CD1 3.82Å; L30-I51 HydrophobicContact CD2-CG1 3.9Å; L30-V70 HydrophobicContact CD1-CB 4.47Å; L30-V70 HydrophobicContact CD1-CG1 4.44Å; L30-V70 HydrophobicContact CD2-CG1 3.97Å; L30-Y72 HydrophobicContact CD1-CD1 3.99Å; L30-Y72 HydrophobicContact CD1-CE1 4.01Å; L30-Y72 HydrophobicContact CD2-CD1 4.19Å; L30-Y72 HydrophobicContact CD2-CG 4.04Å
31F93.6Very high90.2Very high70 Ų7069 Ų6931%0.30739%0.389SS..Hα-helixtrans-56.6-46.6-177.7-61-51.4000111.6K27 Q28 E33 E35 V48 I51K27-F31 HydrophobicContact CB-CE2 4.17Å; K27-F31 WeakPolarHBondContact O-CD2 3.35Å; K27-F31 WeakPolarHBondContact O-CG 3.4Å; K27-F31 PolarHBondContact O-N 2.74Å; Q28-F31 PolarHBondContact O-N 3.47Å; F31-E33 PolarHBondContact O-N 2.96Å; F31-E35 VanDerWaalsContact O-CB 3.22Å; F31-E35 WeakPolarHBondContact O-CB 3.06Å; F31-E35 WeakPolarHBondContact O-CG 3.44Å; F31-E35 PolarHBondContact O-N 2.71Å; F31-V48 HydrophobicContact CD1-CB 3.81Å; F31-V48 HydrophobicContact CD1-CG1 4.25Å; F31-V48 HydrophobicContact CD1-CG2 4.09Å; F31-V48 HydrophobicContact CE1-CB 3.72Å; F31-V48 HydrophobicContact CE1-CG1 3.76Å; F31-V48 HydrophobicContact CE1-CG2 4.43Å; F31-I51 HydrophobicContact CE1-CD1 4.4Å; F31-I51 HydrophobicContact CZ-CD1 4.02Å
32T92.8Very high90.1Very high118 Ų11868.2 Ų68.272%0.72438%0.379SS*.Hα-helixtrans-65.9-35.6179.8-53.70000113.4Q28 K29 L30Q28-T32 PolarHBondContact O-N 3.23Å; Q28-T32 PolarHBondContact O-OG1 2.86Å; Q28-T32 VanDerWaalsContact O-OG1 3.06Å; K29-T32 PolarHBondContact O-N 2.82Å; L30-T32 VanDerWaalsContact C-N 3.32Å; L30-T32 PolarHBondContact O-N 3.16Å
33E92.2Very high90Very high74 Ų7466.8 Ų66.835%0.34637%0.373SS..Hα-helixtrans-83.3-28.1-177.4-74.7-176.6-171.600113.5H9 K29 L30 F31 T37H9-E33 IonicContact CD2-OE2 3.83Å; H9-E33 IonicContact CE1-OE2 3.92Å; H9-E33 IonicContact NE2-OE2 3.81Å; H9-E33 PolarHBondContact NE2-OE2 2.87Å; K29-E33 WeakPolarHBondContact CE-OE1 3.41Å; K29-E33 HydrophobicContact CG-CG 4.32Å; K29-E33 WeakPolarHBondContact CG-OE1 3.46Å; K29-E33 IonicContact NZ-OE1 2.67Å; K29-E33 WeakPolarHBondContact O-CB 3.47Å; K29-E33 WeakPolarHBondContact O-CG 3.33Å; K29-E33 PolarHBondContact O-N 3.03Å; L30-E33 PolarHBondContact O-N 2.78Å; F31-E33 PolarHBondContact O-N 2.96Å; E33-T37 WeakPolarHBondContact O-CG2 3.3Å
34V92.8Very high90.1Very high3 Ų364.9 Ų64.92%0.01836%0.361CS..Hα-helixtrans-105.7-33.6-173.1-49.60000113.4H9 L30 G36 T37 V45 V48 Y72H9-V34 HydrophobicContact CB-CG1 4.23Å; L30-V34 HydrophobicContact CD1-CG1 3.84Å; L30-V34 HydrophobicContact CG-CG1 4.41Å; L30-V34 HydrophobicContact CG-CG2 4.3Å; L30-V34 WeakPolarHBondContact O-CG1 3.12Å; L30-V34 WeakPolarHBondContact O-CG2 3.25Å; L30-V34 PolarHBondContact O-N 2.89Å; V34-G36 PolarHBondContact O-N 3.2Å; V34-T37 PolarHBondContact O-N 2.78Å; V34-T37 PolarHBondContact O-OG1 3Å; V34-V45 VanDerWaalsContact O-CB 3.32Å; V34-V45 WeakPolarHBondContact O-CB 3.35Å; V34-V45 WeakPolarHBondContact O-CG1 3.45Å; V34-V48 HydrophobicContact CG2-CG2 3.26Å; V34-Y72 HydrophobicContact CB-CE2 4.48Å; V34-Y72 HydrophobicContact CG2-CE2 4.02Å
35E90.6Very high90Very high80 Ų8060.8 Ų60.837%0.37434%0.339SS..THydrogen-bonded Turntrans-70.3131.6-178.2-63-172.5147.900110.8F31 T37 V48F31-E35 VanDerWaalsContact O-CB 3.22Å; F31-E35 WeakPolarHBondContact O-CB 3.06Å; F31-E35 WeakPolarHBondContact O-CG 3.44Å; F31-E35 PolarHBondContact O-N 2.71Å; E35-T37 VanDerWaalsContact C-N 3.26Å; E35-T37 PolarHBondContact O-N 3.1Å; E35-V48 HydrophobicContact CG-CG2 4.05Å; E35-V48 PolarHBondContact OE1-N 2.67Å
36G86.9Confident89.9Confident58 Ų5862 Ų6260%0.59834%0.344SS*.THydrogen-bonded Turntrans791.6-175.700000114.8V34 V45V34-G36 PolarHBondContact O-N 3.2Å; G36-V45 WeakPolarHBondContact CA-O 3.33Å; G36-V45 PolarHBondContact N-O 2.98Å
37T88.6Confident89.9Confident52 Ų5263.6 Ų63.632%0.31936%0.357SS..  trans-80.3151.5177.363.10000112.9E33 V34 E35 F44 V45E33-T37 WeakPolarHBondContact O-CG2 3.3Å; V34-T37 PolarHBondContact O-N 2.78Å; V34-T37 PolarHBondContact O-OG1 3Å; E35-T37 VanDerWaalsContact C-N 3.26Å; E35-T37 PolarHBondContact O-N 3.1Å; T37-F44 CarbonylContact O-C 3.52Å; T37-F44 WeakPolarHBondContact O-CA 3.22Å; T37-V45 PolarHBondContact O-N 2.9Å
38C86.1Confident89.9Confident74 Ų7460.3 Ų60.350%0.534%0.344SS..EExtended strand (participates in β ladder)trans-113.4123.8173.4-168.90000110.4F44C38-F44 HydrophobicContact CB-CD1 3.28Å; C38-F44 HydrophobicContact CB-CE1 3.23Å; C38-F44 HydrophobicContact CB-CG 4.19Å; C38-F44 HydrophobicContact CB-CZ 4Å; C38-F44 WeakPolarHBondContact SG-CD1 3.32Å; C38-F44 WeakPolarHBondContact SG-CE1 3.44Å; C38-F44 WeakPolarHBondContact SG-CZ 3.31Å
39T85.8Confident90Very high59 Ų5957.3 Ų57.336%0.36234%0.335SS..EExtended strand (participates in β ladder)trans-119.4126.7172.4-59.30000109.3K41 Y42 G43T39-K41 HydrophobicContact CG2-CB 4.22Å; T39-K41 PolarHBondContact O-N 3.37Å; T39-Y42 HydrophobicContact CG2-CD2 4.02Å; T39-Y42 PolarHBondContact O-N 2.99Å; T39-Y42 VanDerWaalsContact O-N 3.1Å; T39-G43 PolarHBondContact N-O 3.39Å; T39-G43 WeakPolarHBondContact O-CA 3.41Å; T39-G43 PolarHBondContact O-N 2.94Å
40G82.6Confident90Very high76 Ų7657.2 Ų57.278%0.78434%0.34SS*.THydrogen-bonded Turntrans-56.8-26.4-178.200000114.7
41K86.6Confident90Very high133 Ų13359.4 Ų59.458%0.57835%0.351SS*.THydrogen-bonded Turntrans-77.1-40.4177.7-173177.9176.8-166.60113.6T39 R78T39-K41 HydrophobicContact CG2-CB 4.22Å; T39-K41 PolarHBondContact O-N 3.37Å; K41-R78 VanDerWaalsContact O-CZ 3.28Å; K41-R78 PolarHBondContact O-NH1 3.27Å
42Y86.1Confident90Very high87 Ų8759.9 Ų59.934%0.34136%0.357SS..THydrogen-bonded Turntrans-109.9-14.4-170.2-60.4-68.9000113.6I5 L7 T39I5-Y42 HydrophobicContact CD1-CD1 3.86Å; I5-Y42 HydrophobicContact CD1-CG 4.44Å; L7-Y42 HydrophobicContact CD2-CD1 3.65Å; L7-Y42 HydrophobicContact CD2-CD2 3.92Å; L7-Y42 HydrophobicContact CD2-CE1 3.72Å; L7-Y42 HydrophobicContact CD2-CE2 4.01Å; L7-Y42 HydrophobicContact CD2-CG 3.75Å; T39-Y42 HydrophobicContact CG2-CD2 4.02Å; T39-Y42 PolarHBondContact O-N 2.99Å; T39-Y42 VanDerWaalsContact O-N 3.1Å
43G88Confident90Very high8 Ų859 Ų598%0.08235%0.348CS..EExtended strand (participates in β ladder)trans89.3-153.8-171.600000111.9T39T39-G43 PolarHBondContact N-O 3.39Å; T39-G43 WeakPolarHBondContact O-CA 3.41Å; T39-G43 PolarHBondContact O-N 2.94Å
44F89.3Confident90Very high60 Ų6057.4 Ų57.426%0.26334%0.341SS..EExtended strand (participates in β ladder)trans-88.9128.7179.2-72-80.4000111.1T37 C38 V76 F77 F105T37-F44 CarbonylContact O-C 3.52Å; T37-F44 WeakPolarHBondContact O-CA 3.22Å; C38-F44 HydrophobicContact CB-CD1 3.28Å; C38-F44 HydrophobicContact CB-CE1 3.23Å; C38-F44 HydrophobicContact CB-CG 4.19Å; C38-F44 HydrophobicContact CB-CZ 4Å; C38-F44 WeakPolarHBondContact SG-CD1 3.32Å; C38-F44 WeakPolarHBondContact SG-CE1 3.44Å; C38-F44 WeakPolarHBondContact SG-CZ 3.31Å; F44-V76 CarbonylContact O-C 3.6Å; F44-V76 WeakPolarHBondContact O-CA 3.39Å; F44-V76 WeakPolarHBondContact O-CB 3.21Å; F44-F77 HydrophobicContact CB-CB 4.43Å; F44-F77 PolarHBondContact N-O 3.07Å; F44-F77 PolarHBondContact O-N 3.23Å; F44-F105 HydrophobicContact CB-CE1 4.08Å; F44-F105 HydrophobicContact CB-CE2 4.01Å; F44-F105 HydrophobicContact CB-CZ 3.58Å; F44-F105 AromaticContact CD1-CE1 3.59Å; F44-F105 HydrophobicContact CD1-CE1 3.59Å; F44-F105 HydrophobicContact CD1-CE2 4.03Å; F44-F105 AromaticContact CD1-CZ 3.02Å; F44-F105 HydrophobicContact CD1-CZ 3.02Å; F44-F105 HydrophobicContact CD2-CD1 4.48Å; F44-F105 AromaticContact CD2-CE1 3.44Å; F44-F105 HydrophobicContact CD2-CE1 3.44Å; F44-F105 VanDerWaalsContact CD2-CE1 3.44Å; F44-F105 AromaticContact CD2-CZ 3.73Å; F44-F105 HydrophobicContact CD2-CZ 3.73Å; F44-F105 AromaticContact CE1-CE1 3.59Å; F44-F105 HydrophobicContact CE1-CE1 3.59Å; F44-F105 AromaticContact CE1-CZ 3.33Å; F44-F105 HydrophobicContact CE1-CZ 3.33Å; F44-F105 AromaticContact CE2-CE1 3.54Å; F44-F105 HydrophobicContact CE2-CE1 3.54Å; F44-F105 HydrophobicContact CE2-CZ 4.06Å; F44-F105 AromaticContact CG-CE1 3.43Å; F44-F105 HydrophobicContact CG-CE1 3.43Å; F44-F105 VanDerWaalsContact CG-CE1 3.43Å; F44-F105 HydrophobicContact CG-CE2 4.08Å; F44-F105 AromaticContact CG-CZ 3.16Å; F44-F105 HydrophobicContact CG-CZ 3.16Å; F44-F105 AromaticContact CZ-CE1 3.58Å; F44-F105 HydrophobicContact CZ-CE1 3.58Å; F44-F105 AromaticContact CZ-CZ 3.86Å; F44-F105 HydrophobicContact CZ-CZ 3.86Å
45V91.6Very high89.9Confident3 Ų358.4 Ų58.42%0.01835%0.352CS..EExtended strand (participates in β ladder)trans-85.6114175.5-177.10000108.3L7 V34 G36 T37 A74 V76L7-V45 HydrophobicContact CD1-CG2 4.4Å; V34-V45 VanDerWaalsContact O-CB 3.32Å; V34-V45 WeakPolarHBondContact O-CB 3.35Å; V34-V45 WeakPolarHBondContact O-CG1 3.45Å; G36-V45 WeakPolarHBondContact CA-O 3.33Å; G36-V45 PolarHBondContact N-O 2.98Å; T37-V45 PolarHBondContact O-N 2.9Å; V45-A74 HydrophobicContact CG1-CB 4.05Å; V45-V76 HydrophobicContact CG2-CG1 4.13Å
46I90.2Very high89.8Confident61 Ų6158.7 Ų58.731%0.31337%0.368SS..EExtended strand (participates in β ladder)trans-83-56.9-177.3-52.6-179.1000109.8F2 I75 F77F2-I46 HydrophobicContact CD1-CD1 3.42Å; F2-I46 VanDerWaalsContact CD1-CD1 3.42Å; F2-I46 HydrophobicContact CE1-CD1 3.29Å; I46-I75 WeakPolarHBondContact CB-O 3.31Å; I46-I75 HydrophobicContact CD1-CG2 4.03Å; I46-I75 PolarHBondContact N-O 3.08Å; I46-F77 HydrophobicContact CD1-CB 4Å; I46-F77 HydrophobicContact CG1-CB 4.25Å
47A91.4Very high89.8Confident35 Ų3557.3 Ų57.329%0.28935%0.354SS..EExtended strand (participates in β ladder)trans-154.5145.5-174.300000110.3A74 I75A47-A74 WeakPolarHBondContact O-CA 3.44Å; A47-A74 WeakPolarHBondContact O-CB 3.49Å; A47-I75 PolarHBondContact O-N 2.95Å
48V93.6Very high89.8Confident16 Ų1659.3 Ų59.310%0.09737%0.366CS..EExtended strand (participates in β ladder)trans-83.2126.4170.6177.30000108.7L30 F31 V34 E35 I51 Y72L30-V48 HydrophobicContact CD2-CG1 4.49Å; F31-V48 HydrophobicContact CD1-CB 3.81Å; F31-V48 HydrophobicContact CD1-CG1 4.25Å; F31-V48 HydrophobicContact CD1-CG2 4.09Å; F31-V48 HydrophobicContact CE1-CB 3.72Å; F31-V48 HydrophobicContact CE1-CG1 3.76Å; F31-V48 HydrophobicContact CE1-CG2 4.43Å; V34-V48 HydrophobicContact CG2-CG2 3.26Å; E35-V48 HydrophobicContact CG-CG2 4.05Å; E35-V48 PolarHBondContact OE1-N 2.67Å; V48-I51 HydrophobicContact CG1-CG1 4.34Å; V48-Y72 HydrophobicContact CB-CD2 4.41Å; V48-Y72 HydrophobicContact CG1-CD2 3.86Å; V48-Y72 HydrophobicContact CG1-CG 4.38Å; V48-Y72 HydrophobicContact CG2-CD2 3.82Å; V48-Y72 HydrophobicContact CG2-CE2 3.95Å
49T94.1Very high90Very high72 Ų7261.3 Ų61.344%0.44237%0.37SS..EExtended strand (participates in β ladder)trans-90.6-52.4-177.7-460000111.5K73T49-K73 PolarHBondContact N-O 3.5Å
50T93.3Very high90Very high63 Ų6361.7 Ų61.739%0.38737%0.368SS..EExtended strand (participates in β ladder)trans-142.9148.2-178.858.80000110.9D52 Y72 K73T50-D52 PolarHBondContact OG1-OD1 3.06Å; T50-Y72 CarbonylContact O-C 3.56Å; T50-Y72 WeakPolarHBondContact O-CA 3.47Å; T50-Y72 WeakPolarHBondContact O-CB 3.37Å; T50-K73 PolarHBondContact N-O 2.8Å; T50-K73 PolarHBondContact O-N 3.46Å
51I94.1Very high90Very high46 Ų4663.8 Ų63.824%0.23637%0.368CS..EExtended strand (participates in β ladder)trans-103110.7171.5-59.3173000106.5K27 L30 F31 V48 I54 V70K27-I51 HydrophobicContact CB-CD1 4.14Å; K27-I51 HydrophobicContact CD-CD1 4.13Å; K27-I51 HydrophobicContact CG-CD1 3.61Å; L30-I51 HydrophobicContact CD2-CD1 3.82Å; L30-I51 HydrophobicContact CD2-CG1 3.9Å; F31-I51 HydrophobicContact CE1-CD1 4.4Å; F31-I51 HydrophobicContact CZ-CD1 4.02Å; V48-I51 HydrophobicContact CG1-CG1 4.34Å; I51-I54 HydrophobicContact CG2-CD1 4.45Å; I51-I54 HydrophobicContact CG2-CG1 4.03Å; I51-V70 HydrophobicContact CG2-CG1 3.77Å
52D93.8Very high89.6Confident80 Ų8062.9 Ų62.943%0.42838%0.378SS..EExtended strand (participates in β ladder)trans-78.5-45.8-173.6-69.2-23.2000110.8T50 K71 K73T50-D52 PolarHBondContact OG1-OD1 3.06Å; D52-K71 PolarHBondContact N-O 3.19Å; D52-K73 WeakPolarHBondContact OD1-CE 3.21Å; D52-K73 WeakPolarHBondContact OD2-CE 2.83Å; D52-K73 WeakPolarHBondContact OD2-CG 3.42Å
53N92.6Very high89.2Confident98 Ų9867.8 Ų67.852%0.52440%0.396SS..EExtended strand (participates in β ladder)trans-153.7143.9-178.6-16511000112.4K71N53-K71 PolarHBondContact N-O 3.41Å; N53-K71 VanDerWaalsContact N-O 3.16Å; N53-K71 PolarHBondContact O-N 3.01Å
54I92.4Very high89Confident42 Ų4269.1 Ų69.122%0.21541%0.41CS..EExtended strand (participates in β ladder)trans-113109.7170.9-60.6170.3000106.4L23 I51 Y68 V70L23-I54 HydrophobicContact CD2-CD1 3.99Å; L23-I54 HydrophobicContact CD2-CG2 4.49Å; I51-I54 HydrophobicContact CG2-CD1 4.45Å; I51-I54 HydrophobicContact CG2-CG1 4.03Å; I54-Y68 HydrophobicContact CG2-CD1 4.44Å; I54-V70 HydrophobicContact CG1-CG1 4.2Å; I54-V70 HydrophobicContact CG1-CG2 4.34Å; I54-V70 HydrophobicContact CG2-CG2 4.3Å
55G90.1Very high89Confident24 Ų2469.6 Ų69.625%0.24741%0.412CS..PPolyproline II helixtrans-71.1168.618000000113G57 P69G55-G57 PolarHBondContact O-N 3.32Å; G55-P69 WeakPolarHBondContact CA-O 3.33Å; G55-P69 PolarHBondContact N-O 3.39Å
56A88.6Confident89Confident85 Ų8569.8 Ų69.870%0.70241%0.413SS*.PPolyproline II helixtrans-63.5135.6177.600000110.8V58 P69A56-V58 PolarHBondContact O-N 2.93Å; A56-P69 WeakPolarHBondContact O-CD 3.03Å
57G86.6Confident89.1Confident29 Ų2968 Ų6830%0.29940%0.404SS..PPolyproline II helixtrans-68.9121.9178.500000111.3G55 L67 Y68G55-G57 PolarHBondContact O-N 3.32Å; G57-L67 CarbonylContact C-O 3.55Å; G57-L67 VanDerWaalsContact CA-O 3.31Å; G57-L67 WeakPolarHBondContact CA-O 3.37Å; G57-Y68 VanDerWaalsContact CA-CE1 3.44Å
58V89.5Confident89.2Confident94 Ų9467.7 Ų67.757%0.5740%0.396SS*.EExtended strand (participates in β ladder)trans-95.9120.8176.1-176.80000109A56 Q60 V66 L67A56-V58 PolarHBondContact O-N 2.93Å; V58-Q60 PolarHBondContact O-N 3.06Å; V58-V66 WeakPolarHBondContact O-CA 3.43Å; V58-L67 PolarHBondContact N-O 2.95Å; V58-L67 PolarHBondContact O-N 3.47Å
59I89.6Confident89.2Confident116 Ų11669.3 Ų69.360%0.59541%0.407SS*.EExtended strand (participates in β ladder)trans-73.9125.3178-58.3164.2000108.5P61 V66I59-P61 WeakPolarHBondContact O-CD 3.46Å; I59-V66 HydrophobicContact CB-CG2 4.39Å; I59-V66 HydrophobicContact CG1-CG2 3.73Å
60Q86.4Confident89.3Confident67 Ų6766 Ų6631%0.31339%0.387SS..PPolyproline II helixtrans-76.8118.5173.3-75.3-169.6-5.100110.2V58 S62 F65V58-Q60 PolarHBondContact O-N 3.06Å; Q60-S62 PolarHBondContact O-N 3.03Å; Q60-S62 VanDerWaalsContact O-N 3.11Å; Q60-F65 PolarHBondContact N-O 3.3Å
61P81.3Confident89.4Confident120 Ų12067.8 Ų67.878%0.77939%0.389SS*.THydrogen-bonded Turntrans-68.7112.4177.527.4-31.3000108.6I59I59-P61 WeakPolarHBondContact O-CD 3.46Å
62S79.1Confident89.4Confident114 Ų11466.1 Ų66.180%0.79738%0.379SS*.THydrogen-bonded Turntrans135.3-41.2170.3560000112.8Q60Q60-S62 PolarHBondContact O-N 3.03Å; Q60-S62 VanDerWaalsContact O-N 3.11Å
63R78.8Confident89.5Confident190 Ų19065.5 Ų65.572%0.71737%0.373SS*.THydrogen-bonded Turntrans-108.8-9.3-171.5-57.7-172.3179.2179.6-0.3114.2F65R63-F65 HydrophobicContact CB-CD2 3.57Å; R63-F65 HydrophobicContact CB-CE2 4.05Å; R63-F65 VanDerWaalsContact O-CD2 3.29Å; R63-F65 WeakPolarHBondContact O-CD2 3.36Å; R63-F65 PolarHBondContact O-N 3.34Å
64G82.9Confident89.6Confident37 Ų3760.9 Ų60.938%0.38135%0.348SS..  trans69.47.2-179.300000114.6P15P15-G64 VanDerWaalsContact CD-O 3.31Å; P15-G64 WeakPolarHBondContact CD-O 3.33Å; P15-G64 WeakPolarHBondContact CG-O 3.5Å
65F88.7Confident89.7Confident70 Ų7061.9 Ų61.931%0.30735%0.353SS..  trans-77.9153.8171.7-70.1-96.1000110.5H14 Q60 R63H14-F65 HydrophobicContact CB-CD1 4.16Å; H14-F65 HydrophobicContact CB-CE1 3.83Å; H14-F65 AromaticContact CD2-CE1 3.69Å; H14-F65 AromaticContact CD2-CZ 3.75Å; Q60-F65 PolarHBondContact N-O 3.3Å; R63-F65 HydrophobicContact CB-CD2 3.57Å; R63-F65 HydrophobicContact CB-CE2 4.05Å; R63-F65 VanDerWaalsContact O-CD2 3.29Å; R63-F65 WeakPolarHBondContact O-CD2 3.36Å; R63-F65 PolarHBondContact O-N 3.34Å
66V91.1Very high89.8Confident6 Ų660.8 Ų60.84%0.03634%0.342CS..EExtended strand (participates in β ladder)trans-117.1132.3176.1-1760000109.4L13 F18 V58 I59 Y68L13-V66 PolarHBondContact N-O 3.02Å; L13-V66 PolarHBondContact O-N 3.02Å; F18-V66 HydrophobicContact CE1-CB 4.35Å; F18-V66 HydrophobicContact CE1-CG2 4.42Å; F18-V66 HydrophobicContact CE2-CG2 3.97Å; F18-V66 HydrophobicContact CZ-CB 3.67Å; F18-V66 HydrophobicContact CZ-CG1 4.25Å; F18-V66 HydrophobicContact CZ-CG2 3.38Å; V58-V66 WeakPolarHBondContact O-CA 3.43Å; I59-V66 HydrophobicContact CB-CG2 4.39Å; I59-V66 HydrophobicContact CG1-CG2 3.73Å; V66-Y68 HydrophobicContact CB-CE2 3.98Å; V66-Y68 HydrophobicContact CG1-CD2 4.15Å; V66-Y68 HydrophobicContact CG1-CE2 3.54Å
67L92.3Very high89.8Confident23 Ų2357 Ų5712%0.1231%0.31CS..EExtended strand (participates in β ladder)trans-101.8119.4-178.4-171158.9000108.8E10 I11 L12 G57 V58E10-L67 HydrophobicContact CB-CD1 4.3Å; E10-L67 HydrophobicContact CB-CD2 3.72Å; E10-L67 HydrophobicContact CB-CG 4.02Å; E10-L67 HydrophobicContact CG-CD2 3.77Å; I11-L67 WeakPolarHBondContact O-CA 3.4Å; L12-L67 HydrophobicContact CD2-CB 4Å; L12-L67 HydrophobicContact CD2-CD1 4.08Å; L12-L67 HydrophobicContact CD2-CG 4.14Å; G57-L67 CarbonylContact C-O 3.55Å; G57-L67 VanDerWaalsContact CA-O 3.31Å; G57-L67 WeakPolarHBondContact CA-O 3.37Å; V58-L67 PolarHBondContact N-O 2.95Å; V58-L67 PolarHBondContact O-N 3.47Å
68Y93.4Very high89.9Confident29 Ų2960.4 Ų60.411%0.11431%0.314CS..EExtended strand (participates in β ladder)trans-104.9109.8177.2-72.5-85.7000109.9I11 L13 F18 L22 V26 I54 G57 V66 V70I11-Y68 PolarHBondContact N-O 3.37Å; I11-Y68 PolarHBondContact O-N 2.92Å; L13-Y68 HydrophobicContact CB-CD2 4.29Å; L13-Y68 HydrophobicContact CB-CE2 4.27Å; L13-Y68 HydrophobicContact CD2-CE2 4.42Å; F18-Y68 HydrophobicContact CE1-CE2 4.18Å; F18-Y68 HydrophobicContact CZ-CE2 4.46Å; L22-Y68 HydrophobicContact CD1-CE2 4.43Å; V26-Y68 HydrophobicContact CG2-CD2 4.36Å; V26-Y68 HydrophobicContact CG2-CG 4.46Å; I54-Y68 HydrophobicContact CG2-CD1 4.44Å; G57-Y68 VanDerWaalsContact CA-CE1 3.44Å; V66-Y68 HydrophobicContact CB-CE2 3.98Å; V66-Y68 HydrophobicContact CG1-CD2 4.15Å; V66-Y68 HydrophobicContact CG1-CE2 3.54Å; Y68-V70 PolarHBondContact O-N 3.43Å
69P94.2Very high89.6Confident51 Ų5159 Ų5933%0.33131%0.306SS..EExtended strand (participates in β ladder)trans-75.1120.6172.728.5-29.9000109.4G55 A56G55-P69 WeakPolarHBondContact CA-O 3.33Å; G55-P69 PolarHBondContact N-O 3.39Å; A56-P69 WeakPolarHBondContact O-CD 3.03Å
70V95.6Very high89.3Confident3 Ų358.2 Ų58.22%0.01830%0.299CS..EExtended strand (participates in β ladder)trans-117.2128.1-178.1-176.50000110.1E8 H9 I11 V26 L30 I51 I54 Y68E8-V70 WeakPolarHBondContact CA-O 3.29Å; H9-V70 PolarHBondContact N-O 3.18Å; H9-V70 PolarHBondContact O-N 3.48Å; I11-V70 HydrophobicContact CD1-CG2 4.07Å; V26-V70 HydrophobicContact CG1-CG2 3.9Å; L30-V70 HydrophobicContact CD1-CB 4.47Å; L30-V70 HydrophobicContact CD1-CG1 4.44Å; L30-V70 HydrophobicContact CD2-CG1 3.97Å; I51-V70 HydrophobicContact CG2-CG1 3.77Å; I54-V70 HydrophobicContact CG1-CG1 4.2Å; I54-V70 HydrophobicContact CG1-CG2 4.34Å; I54-V70 HydrophobicContact CG2-CG2 4.3Å; Y68-V70 PolarHBondContact O-N 3.43Å
71K95.6Very high89.1Confident99 Ų9965.4 Ų65.443%0.4333%0.329SS..EExtended strand (participates in β ladder)trans-99.6125.6171.9-54.1-160.6-176.1-151.50109.3L7 E8 D52 N53L7-K71 WeakPolarHBondContact O-CA 3.47Å; E8-K71 HydrophobicContact CG-CD 4.33Å; E8-K71 HydrophobicContact CG-CG 4.05Å; E8-K71 WeakPolarHBondContact OE1-CD 3.01Å; E8-K71 WeakPolarHBondContact OE1-CE 3.46Å; E8-K71 IonicContact OE1-NZ 2.86Å; E8-K71 PolarHBondContact OE1-NZ 3.05Å; D52-K71 PolarHBondContact N-O 3.19Å; N53-K71 PolarHBondContact N-O 3.41Å; N53-K71 VanDerWaalsContact N-O 3.16Å; N53-K71 PolarHBondContact O-N 3.01Å
72Y95.6Very high89.3Confident11 Ų1163.4 Ų63.44%0.04333%0.33CS..EExtended strand (participates in β ladder)trans-142157.4-176.865.8-78.9000110.9S6 L7 H9 L30 V34 V48 T50 A74S6-Y72 CarbonylContact C-O 3.52Å; S6-Y72 WeakPolarHBondContact CA-O 3.37Å; L7-Y72 HydrophobicContact CB-CD1 4.46Å; L7-Y72 HydrophobicContact CB-CE1 3.84Å; L7-Y72 HydrophobicContact CB-CE2 3.99Å; L7-Y72 HydrophobicContact CD1-CE2 4.19Å; L7-Y72 PolarHBondContact N-O 2.94Å; L7-Y72 WeakPolarHBondContact O-CD1 3.31Å; L7-Y72 PolarHBondContact O-N 2.87Å; L7-Y72 VanDerWaalsContact O-O 3.13Å; H9-Y72 HydrophobicContact CB-CD1 4.47Å; H9-Y72 HydrophobicContact CB-CE1 3.58Å; L30-Y72 HydrophobicContact CD1-CD1 3.99Å; L30-Y72 HydrophobicContact CD1-CE1 4.01Å; L30-Y72 HydrophobicContact CD2-CD1 4.19Å; L30-Y72 HydrophobicContact CD2-CG 4.04Å; V34-Y72 HydrophobicContact CB-CE2 4.48Å; V34-Y72 HydrophobicContact CG2-CE2 4.02Å; V48-Y72 HydrophobicContact CB-CD2 4.41Å; V48-Y72 HydrophobicContact CG1-CD2 3.86Å; V48-Y72 HydrophobicContact CG1-CG 4.38Å; V48-Y72 HydrophobicContact CG2-CD2 3.82Å; V48-Y72 HydrophobicContact CG2-CE2 3.95Å; T50-Y72 CarbonylContact O-C 3.56Å; T50-Y72 WeakPolarHBondContact O-CA 3.47Å; T50-Y72 WeakPolarHBondContact O-CB 3.37Å; Y72-A74 HydrophobicContact CD2-CB 4.04Å; Y72-A74 HydrophobicContact CE2-CB 3.83Å
73K95.6Very high89.4Confident68 Ų6860.7 Ų60.730%0.29631%0.305SS..EExtended strand (participates in β ladder)trans-100.9136.4170.3-58.3-171.4-175.1170.80109I5 T49 T50 D52I5-K73 WeakPolarHBondContact O-CA 3.34Å; T49-K73 PolarHBondContact N-O 3.5Å; T50-K73 PolarHBondContact N-O 2.8Å; T50-K73 PolarHBondContact O-N 3.46Å; D52-K73 WeakPolarHBondContact OD1-CE 3.21Å; D52-K73 WeakPolarHBondContact OD2-CE 2.83Å; D52-K73 WeakPolarHBondContact OD2-CG 3.42Å
74A95.1Very high89.6Confident0 Ų058.3 Ų58.30%031%0.311CS..EExtended strand (participates in β ladder)trans-135.8152.1177.700000110.8I5 L7 V45 A47 Y72 V76I5-A74 PolarHBondContact N-O 2.84Å; I5-A74 VanDerWaalsContact N-O 3.07Å; I5-A74 PolarHBondContact O-N 3.43Å; L7-A74 HydrophobicContact CD1-CB 4.3Å; V45-A74 HydrophobicContact CG1-CB 4.05Å; A47-A74 WeakPolarHBondContact O-CA 3.44Å; A47-A74 WeakPolarHBondContact O-CB 3.49Å; Y72-A74 HydrophobicContact CD2-CB 4.04Å; Y72-A74 HydrophobicContact CE2-CB 3.83Å; A74-V76 HydrophobicContact CB-CG1 4.45Å
75I93.1Very high89.6Confident63 Ų6359.4 Ų59.432%0.32331%0.31SS..EExtended strand (participates in β ladder)trans-86.8120.1166.4-60.5165.8000106.8F2 Y3 I46 A47F2-I75 HydrophobicContact CD1-CG2 4.46Å; Y3-I75 CarbonylContact O-C 3.59Å; Y3-I75 WeakPolarHBondContact O-CA 3.43Å; I46-I75 WeakPolarHBondContact CB-O 3.31Å; I46-I75 HydrophobicContact CD1-CG2 4.03Å; I46-I75 PolarHBondContact N-O 3.08Å; A47-I75 PolarHBondContact O-N 2.95Å
76V92.5Very high89.3Confident2 Ų263.3 Ų63.31%0.01234%0.335CS..EExtended strand (participates in β ladder)trans-115.9144.3177.5-54.10000110.9F2 Y3 I5 L7 F44 V45 A74F2-V76 CarbonylContact C-O 3.51Å; F2-V76 WeakPolarHBondContact CA-O 3.1Å; Y3-V76 PolarHBondContact N-O 2.82Å; Y3-V76 PolarHBondContact O-N 2.81Å; I5-V76 HydrophobicContact CD1-CG1 4.01Å; I5-V76 HydrophobicContact CD1-CG2 3.67Å; I5-V76 HydrophobicContact CG1-CG1 4.05Å; I5-V76 HydrophobicContact CG1-CG2 3.87Å; L7-V76 HydrophobicContact CD1-CG1 4.16Å; F44-V76 CarbonylContact O-C 3.6Å; F44-V76 WeakPolarHBondContact O-CA 3.39Å; F44-V76 WeakPolarHBondContact O-CB 3.21Å; V45-V76 HydrophobicContact CG2-CG1 4.13Å; A74-V76 HydrophobicContact CB-CG1 4.45Å
77F88.9Confident88.7Confident4 Ų465.2 Ų65.22%0.01835%0.351CS..EExtended strand (participates in β ladder)trans-104.5116.5170.6-177.6-108.2000110.1F2 F44 I46 P79 L101F2-F77 HydrophobicContact CD1-CB 4.02Å; F2-F77 AromaticContact CD1-CD2 3.69Å; F2-F77 HydrophobicContact CD1-CD2 3.69Å; F2-F77 HydrophobicContact CD1-CG 4.32Å; F2-F77 HydrophobicContact CD2-CD2 4.46Å; F2-F77 HydrophobicContact CE1-CB 3.95Å; F2-F77 AromaticContact CE1-CD2 3.47Å; F2-F77 HydrophobicContact CE1-CD2 3.47Å; F2-F77 VanDerWaalsContact CE1-CD2 3.47Å; F2-F77 HydrophobicContact CE1-CE2 4.33Å; F2-F77 HydrophobicContact CE1-CG 4.02Å; F2-F77 HydrophobicContact CE2-CD2 4.29Å; F2-F77 HydrophobicContact CE2-CE2 4.49Å; F2-F77 HydrophobicContact CG-CD2 4.18Å; F2-F77 AromaticContact CZ-CD2 3.81Å; F2-F77 HydrophobicContact CZ-CD2 3.81Å; F2-F77 HydrophobicContact CZ-CE2 4.23Å; F44-F77 HydrophobicContact CB-CB 4.43Å; F44-F77 PolarHBondContact N-O 3.07Å; F44-F77 PolarHBondContact O-N 3.23Å; I46-F77 HydrophobicContact CD1-CB 4Å; I46-F77 HydrophobicContact CG1-CB 4.25Å; F77-P79 HydrophobicContact CE1-CB 4.04Å; F77-P79 HydrophobicContact CE1-CG 3.89Å; F77-P79 HydrophobicContact CZ-CB 4.07Å; F77-P79 HydrophobicContact CZ-CG 4.43Å; F77-L101 HydrophobicContact CE1-CD1 3.55Å; F77-L101 HydrophobicContact CZ-CD1 3.56Å
78R89Confident88.3Confident102 Ų10269.2 Ų69.239%0.38538%0.376SS..  trans-127.8105175.5-170.1177.6-178-173.51.7109.2M1 Y3 K41 F80M1-R78 PolarHBondContact N-O 3.21Å; M1-R78 PolarHBondContact O-N 2.85Å; Y3-R78 HydrophobicContact CD2-CB 4.33Å; Y3-R78 HydrophobicContact CE2-CB 4.3Å; K41-R78 VanDerWaalsContact O-CZ 3.28Å; K41-R78 PolarHBondContact O-NH1 3.27Å; R78-F80 HydrophobicContact CG-CZ 4.48Å
79P83.8Confident87.8Confident63 Ų6372 Ų7241%0.40940%0.396SS..  trans-75.9144.3173.630.1-31.5000110.5F77 E83F77-P79 HydrophobicContact CE1-CB 4.04Å; F77-P79 HydrophobicContact CE1-CG 3.89Å; F77-P79 HydrophobicContact CZ-CB 4.07Å; F77-P79 HydrophobicContact CZ-CG 4.43Å; P79-E83 WeakPolarHBondContact CA-OE2 3.19Å
80F83.4Confident87.3Confident100 Ų10073.4 Ų73.444%0.43940%0.404SS..  trans-104.6151.2172.9-66.8-88.6000111.8Y3 R78 G82 E83Y3-F80 AromaticContact CE2-CE2 3.8Å; Y3-F80 HydrophobicContact CE2-CE2 3.8Å; Y3-F80 HydrophobicContact CE2-CZ 4.41Å; Y3-F80 AromaticContact CZ-CE2 3.84Å; Y3-F80 WeakPolarHBondContact OH-CE2 3.45Å; R78-F80 HydrophobicContact CG-CZ 4.48Å; F80-G82 PolarHBondContact O-N 2.86Å; F80-E83 HydrophobicContact CB-CB 4.19Å; F80-E83 PolarHBondContact N-OE2 2.86Å; F80-E83 VanDerWaalsContact O-CB 3.23Å; F80-E83 WeakPolarHBondContact O-CB 3.47Å; F80-E83 PolarHBondContact O-N 2.89Å
81K81.9Confident86.5Confident218 Ų21878 Ų7895%0.94843%0.425SS*.THydrogen-bonded Turntrans-64.2122.8174.6-173.8-179.5-180-178.50109.2E83K81-E83 VanDerWaalsContact C-N 3.35Å
82G83.9Confident85.9Confident79 Ų7977.8 Ų77.881%0.81443%0.432SS*.THydrogen-bonded Turntrans855.8-177.200000114.3F80F80-G82 PolarHBondContact O-N 2.86Å
83E81.6Confident85.4Confident56 Ų5680.7 Ų80.726%0.26245%0.448SS..  trans-73.4132.7170.6-167.8-176.6173.100110.1M1 P79 F80 K81 V85M1-E83 VanDerWaalsContact CA-OE1 3.23Å; M1-E83 WeakPolarHBondContact CA-OE1 3.38Å; M1-E83 VanDerWaalsContact CB-OE1 3.26Å; M1-E83 WeakPolarHBondContact CB-OE1 3.47Å; M1-E83 VanDerWaalsContact N-CD 3.27Å; M1-E83 PolarHBondContact N-OE1 2.74Å; M1-E83 PolarHBondContact N-OE2 2.84Å; P79-E83 WeakPolarHBondContact CA-OE2 3.19Å; F80-E83 HydrophobicContact CB-CB 4.19Å; F80-E83 PolarHBondContact N-OE2 2.86Å; F80-E83 VanDerWaalsContact O-CB 3.23Å; F80-E83 WeakPolarHBondContact O-CB 3.47Å; F80-E83 PolarHBondContact O-N 2.89Å; K81-E83 VanDerWaalsContact C-N 3.35Å; E83-V85 HydrophobicContact CB-CG2 4.33Å; E83-V85 HydrophobicContact CG-CG2 3.83Å
84V84.5Confident84.6Confident141 Ų14188 Ų8886%0.85548%0.48SS*.  trans-88.7121.3172.1-178.20000107.8
85V82.6Confident83.9Confident59 Ų5994.9 Ų94.936%0.35852%0.521SS..  trans-131.8135.2-177.8-166.70000109.3E83 L101E83-V85 HydrophobicContact CB-CG2 4.33Å; E83-V85 HydrophobicContact CG-CG2 3.83Å; V85-L101 HydrophobicContact CB-CD2 4.18Å; V85-L101 HydrophobicContact CG1-CD2 3.67Å
86D81.6Confident82.9Confident153 Ų15397.4 Ų97.482%0.81853%0.527SS*.  trans-71.4134.2173.2-67.3-35.9000110.4L101D86-L101 WeakPolarHBondContact O-CD2 2.99Å
87A79.6Confident82Confident46 Ų46102.4 Ų102.438%0.3855%0.549SS..  trans-144.3148.2-176.300000111.5V99 L101A87-V99 HydrophobicContact CB-CB 3.68Å; A87-V99 HydrophobicContact CB-CG1 4.3Å; A87-V99 HydrophobicContact CB-CG2 3.93Å; A87-L101 HydrophobicContact CB-CD2 3.51Å; A87-L101 HydrophobicContact CB-CG 4.44Å
88V83.4Confident81.4Confident107 Ų107102.4 Ų102.465%0.64855%0.549SS*.EExtended strand (participates in β ladder)trans-95.5125.5175.1-179.30000108.9T90 V99 G100V88-T90 PolarHBondContact O-N 2.83Å; V88-V99 CarbonylContact O-C 3.54Å; V88-V99 WeakPolarHBondContact O-CA 3.5Å; V88-G100 PolarHBondContact N-O 3.44Å; V88-G100 PolarHBondContact O-N 3.37Å
89V82.4Confident80.9Confident86 Ų8699.1 Ų99.152%0.52154%0.54SS..EExtended strand (participates in β ladder)trans-68.5118.4177.1-178.30000109.4V92 V99V89-V92 HydrophobicContact CG1-CG2 3.86Å; V89-V99 HydrophobicContact CG2-CG1 4.28Å
90T84.6Confident80.6Confident82 Ų8296.5 Ų96.550%0.50353%0.525SS..EExtended strand (participates in β ladder)trans-98.4-36.6179.3550000111.8V88 S98V88-T90 PolarHBondContact O-N 2.83Å; T90-S98 PolarHBondContact N-O 3.03Å; T90-S98 PolarHBondContact OG1-O 2.99Å; T90-S98 VanDerWaalsContact OG1-O 3.11Å
91Q78.9Confident80Confident100 Ų10093.5 Ų93.547%0.46751%0.513SS..EExtended strand (participates in β ladder)trans-144.1135.5-179.8-164177.618.800111.7F97 S98Q91-F97 CarbonylContact O-C 3.48Å; Q91-F97 WeakPolarHBondContact O-CA 3.21Å; Q91-S98 PolarHBondContact N-O 3.23Å; Q91-S98 PolarHBondContact O-N 2.95Å
92V83.1Confident78.9Confident94 Ų9485.7 Ų85.757%0.5749%0.485SS*.EExtended strand (participates in β ladder)trans-109.6119.5174.6171.90000108.1V89 F97V89-V92 HydrophobicContact CG1-CG2 3.86Å; V92-F97 HydrophobicContact CB-CD1 3.81Å; V92-F97 HydrophobicContact CB-CE1 3.73Å; V92-F97 HydrophobicContact CG1-CD1 3.73Å; V92-F97 HydrophobicContact CG1-CE1 3.13Å; V92-F97 HydrophobicContact CG1-CZ 3.87Å; V92-F97 HydrophobicContact CG2-CD1 3.62Å; V92-F97 HydrophobicContact CG2-CE1 3.66Å
93N83.8Confident77.4Confident71 Ų7187.8 Ų87.838%0.3849%0.485SS..  trans-117.9157.6168.1-87.7-49000110V95 R96N93-V95 PolarHBondContact O-N 3.02Å; N93-R96 CarbonylContact C-O 3.55Å; N93-R96 WeakPolarHBondContact CA-O 3.34Å; N93-R96 HydrophobicContact CB-CG 4.37Å; N93-R96 VanDerWaalsContact CB-O 3.3Å; N93-R96 WeakPolarHBondContact CB-O 3.31Å; N93-R96 PolarHBondContact N-O 2.73Å; N93-R96 PolarHBondContact O-N 2.85Å
94K78.8Confident76.1Confident223 Ų22392.3 Ų92.397%0.9751%0.511SS*.SBendtrans-55.6-21.6179.5-91-178.6174.5176.50114.7
95V80.2Confident74.7Confident144 Ų14487.4 Ų87.487%0.87348%0.478SS*.SBendtrans-113.7-27.4-175.3-1750000112.6N93N93-V95 PolarHBondContact O-N 3.02Å
96R72.7Confident73.5Confident115 Ų11589 Ų8943%0.43448%0.484SS..  trans-150.9159.2-174.571.2177.1-174.5179.31.9111.5N93N93-R96 CarbonylContact C-O 3.55Å; N93-R96 WeakPolarHBondContact CA-O 3.34Å; N93-R96 HydrophobicContact CB-CG 4.37Å; N93-R96 VanDerWaalsContact CB-O 3.3Å; N93-R96 WeakPolarHBondContact CB-O 3.31Å; N93-R96 PolarHBondContact N-O 2.73Å; N93-R96 PolarHBondContact O-N 2.85Å
97F73.9Confident72.4Confident108 Ų10884 Ų8447%0.47446%0.458SS..EExtended strand (participates in β ladder)trans-119.3139.9172.8-63-99.5000108.7Q91 V92Q91-F97 CarbonylContact O-C 3.48Å; Q91-F97 WeakPolarHBondContact O-CA 3.21Å; V92-F97 HydrophobicContact CB-CD1 3.81Å; V92-F97 HydrophobicContact CB-CE1 3.73Å; V92-F97 HydrophobicContact CG1-CD1 3.73Å; V92-F97 HydrophobicContact CG1-CE1 3.13Å; V92-F97 HydrophobicContact CG1-CZ 3.87Å; V92-F97 HydrophobicContact CG2-CD1 3.62Å; V92-F97 HydrophobicContact CG2-CE1 3.66Å
98S76.7Confident71.1Confident3 Ų387.7 Ų87.72%0.02147%0.466CS..EExtended strand (participates in β ladder)trans-105.1133.5174.1-570000108.5T90 Q91T90-S98 PolarHBondContact N-O 3.03Å; T90-S98 PolarHBondContact OG1-O 2.99Å; T90-S98 VanDerWaalsContact OG1-O 3.11Å; Q91-S98 PolarHBondContact N-O 3.23Å; Q91-S98 PolarHBondContact O-N 2.95Å
99V77.5Confident69.7Low33 Ų3389.3 Ų89.320%0.248%0.482CS..EExtended strand (participates in β ladder)trans-124136.1-176.2-64.80000110.1A87 V88 V89 I106 V107A87-V99 HydrophobicContact CB-CB 3.68Å; A87-V99 HydrophobicContact CB-CG1 4.3Å; A87-V99 HydrophobicContact CB-CG2 3.93Å; V88-V99 CarbonylContact O-C 3.54Å; V88-V99 WeakPolarHBondContact O-CA 3.5Å; V89-V99 HydrophobicContact CG2-CG1 4.28Å; V99-I106 WeakPolarHBondContact O-CA 3.36Å; V99-V107 HydrophobicContact CG2-CB 4.47Å; V99-V107 PolarHBondContact N-O 3.19Å; V99-V107 PolarHBondContact O-N 3.11Å
100G77.1Confident69Low8 Ų889.5 Ų89.58%0.08248%0.48CS..EExtended strand (participates in β ladder)trans-88.7122.6170.900000110.1V88 F105V88-G100 PolarHBondContact N-O 3.44Å; V88-G100 PolarHBondContact O-N 3.37Å; G100-F105 CarbonylContact C-O 3.4Å; G100-F105 WeakPolarHBondContact CA-O 3.29Å
101L71.4Confident68.2Low38 Ų3889.9 Ų89.920%0.19948%0.479CS..EExtended strand (participates in β ladder)trans-93.6-19.9174.4-67173.6000112.5F77 V85 D86 A87 F105 V107F77-L101 HydrophobicContact CE1-CD1 3.55Å; F77-L101 HydrophobicContact CZ-CD1 3.56Å; V85-L101 HydrophobicContact CB-CD2 4.18Å; V85-L101 HydrophobicContact CG1-CD2 3.67Å; D86-L101 WeakPolarHBondContact O-CD2 2.99Å; A87-L101 HydrophobicContact CB-CD2 3.51Å; A87-L101 HydrophobicContact CB-CG 4.44Å; L101-F105 PolarHBondContact N-O 2.84Å; L101-V107 HydrophobicContact CD1-CB 4.11Å; L101-V107 HydrophobicContact CD1-CG2 3.37Å; L101-V107 HydrophobicContact CG-CG2 4.15Å
102C59.4Low67.6Low54 Ų5489.3 Ų89.337%0.36548%0.48SS..EExtended strand (participates in β ladder)trans-151.3165.8176.6-135.90000107.8D104 F105C102-D104 PolarHBondContact O-N 2.89Å; C102-F105 HydrophobicContact CB-CB 3.83Å; C102-F105 PolarHBondContact O-N 3.19Å
103P52.3Low66.7Low123 Ų12389.1 Ų89.180%0.79947%0.474SS*.THydrogen-bonded Turntrans-50.5-25.2-175.6-26.233.9000114.6
104D54.1Low65.6Low151 Ų15190.2 Ų90.281%0.80748%0.48SS*.THydrogen-bonded Turntrans-121.58.3-179.7-55.8-59.5000114.4C102C102-D104 PolarHBondContact O-N 2.89Å
105F55.1Low64.8Low37 Ų3781.3 Ų81.316%0.16245%0.448CS..EExtended strand (participates in β ladder)trans-114.198-170.5-122.8-81.9000113.5F44 G100 L101 C102F44-F105 HydrophobicContact CB-CE1 4.08Å; F44-F105 HydrophobicContact CB-CE2 4.01Å; F44-F105 HydrophobicContact CB-CZ 3.58Å; F44-F105 AromaticContact CD1-CE1 3.59Å; F44-F105 HydrophobicContact CD1-CE1 3.59Å; F44-F105 HydrophobicContact CD1-CE2 4.03Å; F44-F105 AromaticContact CD1-CZ 3.02Å; F44-F105 HydrophobicContact CD1-CZ 3.02Å; F44-F105 HydrophobicContact CD2-CD1 4.48Å; F44-F105 AromaticContact CD2-CE1 3.44Å; F44-F105 HydrophobicContact CD2-CE1 3.44Å; F44-F105 VanDerWaalsContact CD2-CE1 3.44Å; F44-F105 AromaticContact CD2-CZ 3.73Å; F44-F105 HydrophobicContact CD2-CZ 3.73Å; F44-F105 AromaticContact CE1-CE1 3.59Å; F44-F105 HydrophobicContact CE1-CE1 3.59Å; F44-F105 AromaticContact CE1-CZ 3.33Å; F44-F105 HydrophobicContact CE1-CZ 3.33Å; F44-F105 AromaticContact CE2-CE1 3.54Å; F44-F105 HydrophobicContact CE2-CE1 3.54Å; F44-F105 HydrophobicContact CE2-CZ 4.06Å; F44-F105 AromaticContact CG-CE1 3.43Å; F44-F105 HydrophobicContact CG-CE1 3.43Å; F44-F105 VanDerWaalsContact CG-CE1 3.43Å; F44-F105 HydrophobicContact CG-CE2 4.08Å; F44-F105 AromaticContact CG-CZ 3.16Å; F44-F105 HydrophobicContact CG-CZ 3.16Å; F44-F105 AromaticContact CZ-CE1 3.58Å; F44-F105 HydrophobicContact CZ-CE1 3.58Å; F44-F105 AromaticContact CZ-CZ 3.86Å; F44-F105 HydrophobicContact CZ-CZ 3.86Å; G100-F105 CarbonylContact C-O 3.4Å; G100-F105 WeakPolarHBondContact CA-O 3.29Å; L101-F105 PolarHBondContact N-O 2.84Å; C102-F105 HydrophobicContact CB-CB 3.83Å; C102-F105 PolarHBondContact O-N 3.19Å
106I57.8Low63.7Low94 Ų9476.9 Ų76.948%0.48242%0.417SS..EExtended strand (participates in β ladder)trans-94.6123.1175.9-56.3173.8000109.9V99 F108V99-I106 WeakPolarHBondContact O-CA 3.36Å; I106-F108 HydrophobicContact CG2-CE1 4.38Å; I106-F108 HydrophobicContact CG2-CZ 4.25Å
107V58.2Low63Low48 Ų4873.9 Ų73.929%0.29142%0.416SS..EExtended strand (participates in β ladder)trans-108.5132.5170.7179.40000109.2V99 L101V99-V107 HydrophobicContact CG2-CB 4.47Å; V99-V107 PolarHBondContact N-O 3.19Å; V99-V107 PolarHBondContact O-N 3.11Å; L101-V107 HydrophobicContact CD1-CB 4.11Å; L101-V107 HydrophobicContact CD1-CG2 3.37Å; L101-V107 HydrophobicContact CG-CG2 4.15Å
108F52.6Low62Low123 Ų12371.1 Ų71.154%0.53941%0.411SS..EExtended strand (participates in β ladder)trans-91.1123174.7-60.1-79.7000108.9I106I106-F108 HydrophobicContact CG2-CE1 4.38Å; I106-F108 HydrophobicContact CG2-CZ 4.25Å
109S52.4Low60.7Low141 Ų14177.3 Ų77.399%0.98645%0.447SS*.  trans-95.30164.4-174.20000111.3

Retrieved 109 of 109 residues in 30.3 ms (Link to these results)