A0A087XNQ2_POEFO Loading...

NTF2-related export protein

Has a role in nuclear-cytoplasmic transport of proteins and mRNAs.

AlphaFold DB (A0A3B5PV07), UniProt , Accession A0A087XNQ2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 143 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
1M34.8Very low72Confident242 Ų242113.2 Ų113.2100%1.19261%0.613SS**  0107.80-72.1-162-90.800106.5S3M1-S3 PolarHBondContact O-N 3.04Å
2A44.8Very low73.8Confident101 Ų101110.6 Ų110.684%0.83560%0.598SS**  trans-62.3121.3172.700000106.7T4A2-T4 PolarHBondContact O-N 3.12Å
3S48.4Very low75.1Confident105 Ų105107.5 Ų107.573%0.73458%0.578SS**  trans-60.8107.9170.655.50000106.4M1 L5M1-S3 PolarHBondContact O-N 3.04Å; S3-L5 PolarHBondContact O-N 3.41Å
4T64.8Low76.4Confident139 Ų139100.6 Ų100.685%0.85354%0.542SS*.  trans-57.898.8164.529.90000106.1A2 D6A2-T4 PolarHBondContact O-N 3.12Å; T4-D6 PolarHBondContact O-N 2.96Å
5L68.1Low77.7Confident75 Ų7597.7 Ų97.739%0.39353%0.531SS..  trans-47.5130.9166.4-99.7132.8000106.8S3 T9 H10S3-L5 PolarHBondContact O-N 3.41Å; L5-T9 HydrophobicContact CD2-CG2 3.22Å; L5-H10 WeakPolarHBondContact CB-CE1 3.41Å; L5-H10 PolarHBondContact O-CE1 2.93Å; L5-H10 PolarHBondContact O-ND1 2.95Å; L5-H10 VanDerWaalsContact O-ND1 3.15Å
6D86.8Confident78.8Confident93 Ų93102.9 Ų102.950%0.49754%0.541SS..  trans-60.7153178.96558.3000110.3T4 R8 T9 H10T4-D6 PolarHBondContact O-N 2.96Å; D6-R8 PolarHBondContact O-N 3.41Å; D6-R8 WeakPolarHBondContact OD1-CB 3.44Å; D6-R8 PolarHBondContact OD1-N 2.93Å; D6-T9 VanDerWaalsContact CG-OG1 3.29Å; D6-T9 PolarHBondContact O-N 3.45Å; D6-T9 VanDerWaalsContact O-N 3.13Å; D6-T9 WeakPolarHBondContact OD1-CB 3.47Å; D6-T9 PolarHBondContact OD1-N 3Å; D6-T9 PolarHBondContact OD1-OG1 3.33Å; D6-T9 PolarHBondContact OD2-OG1 2.65Å; D6-H10 PolarHBondContact O-N 3.46Å; D6-H10 PolarHBondContact O-ND1 3.37Å; D6-H10 VanDerWaalsContact O-ND1 3.16Å
7F88.6Confident79.7Confident156 Ų15699.5 Ų99.568%0.68452%0.519SS*.Hα-helixtrans-57.4-35.8-175.9174.8-100.9000112.2T9 H10 A11 P80F7-T9 PolarHBondContact O-N 3.38Å; F7-H10 PolarHBondContact O-N 3.17Å; F7-A11 PolarHBondContact O-N 2.81Å; F7-P80 HydrophobicContact CE2-CG 4.04Å; F7-P80 HydrophobicContact CZ-CG 4.34Å
8R90.4Very high80.7Confident185 Ų18594 Ų9470%0.69849%0.491SS*.Hα-helixtrans-61.9-44.3178.8178.2-179.6179.5169.33.4111.2D6 H10 A11 D12D6-R8 PolarHBondContact O-N 3.41Å; D6-R8 WeakPolarHBondContact OD1-CB 3.44Å; D6-R8 PolarHBondContact OD1-N 2.93Å; R8-H10 VanDerWaalsContact C-N 3.32Å; R8-H10 PolarHBondContact O-N 2.96Å; R8-A11 WeakPolarHBondContact O-CB 3.4Å; R8-A11 PolarHBondContact O-N 2.83Å; R8-D12 IonicContact NE-OD2 3.95Å; R8-D12 PolarHBondContact O-N 2.9Å
9T88.7Confident81.5Confident46 Ų4694.9 Ų94.928%0.28249%0.493SS..Hα-helixtrans-64.5-39.5179.6-53.70000111.3L5 D6 F7 D12 Q13L5-T9 HydrophobicContact CD2-CG2 3.22Å; D6-T9 VanDerWaalsContact CG-OG1 3.29Å; D6-T9 PolarHBondContact O-N 3.45Å; D6-T9 VanDerWaalsContact O-N 3.13Å; D6-T9 WeakPolarHBondContact OD1-CB 3.47Å; D6-T9 PolarHBondContact OD1-N 3Å; D6-T9 PolarHBondContact OD1-OG1 3.33Å; D6-T9 PolarHBondContact OD2-OG1 2.65Å; F7-T9 PolarHBondContact O-N 3.38Å; T9-D12 PolarHBondContact O-N 2.8Å; T9-Q13 WeakPolarHBondContact O-CB 3.44Å; T9-Q13 VanDerWaalsContact O-CG 3.31Å; T9-Q13 WeakPolarHBondContact O-CG 3.41Å; T9-Q13 PolarHBondContact O-N 3.33Å
10H86.4Confident82.3Confident77 Ų7796.1 Ų96.136%0.35650%0.496SS..Hα-helixtrans-63-41.4173-73.2104.2000112.4L5 D6 F7 R8 S14L5-H10 WeakPolarHBondContact CB-CE1 3.41Å; L5-H10 PolarHBondContact O-CE1 2.93Å; L5-H10 PolarHBondContact O-ND1 2.95Å; L5-H10 VanDerWaalsContact O-ND1 3.15Å; D6-H10 PolarHBondContact O-N 3.46Å; D6-H10 PolarHBondContact O-ND1 3.37Å; D6-H10 VanDerWaalsContact O-ND1 3.16Å; F7-H10 PolarHBondContact O-N 3.17Å; R8-H10 VanDerWaalsContact C-N 3.32Å; R8-H10 PolarHBondContact O-N 2.96Å; H10-S14 WeakPolarHBondContact O-CB 3.4Å; H10-S14 PolarHBondContact O-N 3.12Å; H10-S14 PolarHBondContact O-OG 3.42Å
11A90.8Very high83Confident26 Ų2692.2 Ų92.222%0.21548%0.475CS..Hα-helixtrans-64.2-46.2176.400000111.5F7 R8 Q13 S14 C15F7-A11 PolarHBondContact O-N 2.81Å; R8-A11 WeakPolarHBondContact O-CB 3.4Å; R8-A11 PolarHBondContact O-N 2.83Å; A11-Q13 VanDerWaalsContact C-N 3.33Å; A11-Q13 PolarHBondContact O-N 2.79Å; A11-S14 WeakPolarHBondContact O-CB 3.4Å; A11-S14 PolarHBondContact O-N 2.84Å; A11-S14 VanDerWaalsContact O-N 3.12Å; A11-C15 PolarHBondContact O-N 2.84Å; A11-C15 PolarHBondContact O-SG 3.35Å; A11-C15 VanDerWaalsContact O-SG 3.39Å
12D92.7Very high86Confident82 Ų8281.1 Ų81.144%0.43942%0.421SS..Hα-helixtrans-62-39.4178.4-72.1-18.6000111.9R8 T9 R16R8-D12 IonicContact NE-OD2 3.95Å; R8-D12 PolarHBondContact O-N 2.9Å; T9-D12 PolarHBondContact O-N 2.8Å; D12-R16 PolarHBondContact O-N 2.88Å
13Q90.9Very high88.5Confident71 Ų7181.9 Ų81.933%0.33241%0.411SS..Hα-helixtrans-65.9-41.8173.3-75176.4-11.900112T9 A11 C15 R16 Y17T9-Q13 WeakPolarHBondContact O-CB 3.44Å; T9-Q13 VanDerWaalsContact O-CG 3.31Å; T9-Q13 WeakPolarHBondContact O-CG 3.41Å; T9-Q13 PolarHBondContact O-N 3.33Å; A11-Q13 VanDerWaalsContact C-N 3.33Å; A11-Q13 PolarHBondContact O-N 2.79Å; Q13-C15 VanDerWaalsContact C-N 3.31Å; Q13-C15 PolarHBondContact O-N 3.49Å; Q13-R16 PolarHBondContact O-N 2.96Å; Q13-Y17 HydrophobicContact CB-CD2 4.41Å; Q13-Y17 HydrophobicContact CB-CE2 4.04Å; Q13-Y17 WeakPolarHBondContact O-CD2 3.36Å; Q13-Y17 PolarHBondContact O-N 2.81Å
14S93.3Very high90.8Very high11 Ų1180.6 Ų80.68%0.07740%0.395CS..Hα-helixtrans-58-42.7178.4-64.60000111.9H10 A11 R16 Y17 A18 L92H10-S14 WeakPolarHBondContact O-CB 3.4Å; H10-S14 PolarHBondContact O-N 3.12Å; H10-S14 PolarHBondContact O-OG 3.42Å; A11-S14 WeakPolarHBondContact O-CB 3.4Å; A11-S14 PolarHBondContact O-N 2.84Å; A11-S14 VanDerWaalsContact O-N 3.12Å; S14-R16 PolarHBondContact O-N 3.34Å; S14-Y17 PolarHBondContact O-N 3Å; S14-A18 WeakPolarHBondContact O-CB 3.46Å; S14-A18 PolarHBondContact O-N 2.93Å; S14-L92 WeakPolarHBondContact O-CD2 3.33Å
15C96.1Very high92.4Very high57 Ų5774.1 Ų74.139%0.38536%0.355SS..Hα-helixtrans-58.3-46.1175.7-65.10000112.2A11 Q13 Y17 A18 E19A11-C15 PolarHBondContact O-N 2.84Å; A11-C15 PolarHBondContact O-SG 3.35Å; A11-C15 VanDerWaalsContact O-SG 3.39Å; Q13-C15 VanDerWaalsContact C-N 3.31Å; Q13-C15 PolarHBondContact O-N 3.49Å; C15-Y17 PolarHBondContact O-N 3.04Å; C15-A18 PolarHBondContact O-N 3.46Å; C15-E19 WeakPolarHBondContact O-CG 3.47Å; C15-E19 PolarHBondContact O-N 3.25Å
16R94.7Very high93.9Very high181 Ų18171.1 Ų71.168%0.68334%0.338SS*.Hα-helixtrans-62.4-44.7179.1-64.8177-175.6-179.81.9111.8D12 Q13 S14 E19 E20D12-R16 PolarHBondContact O-N 2.88Å; Q13-R16 PolarHBondContact O-N 2.96Å; S14-R16 PolarHBondContact O-N 3.34Å; R16-E19 PolarHBondContact O-N 2.8Å; R16-E20 PolarHBondContact O-N 2.97Å; R16-E20 VanDerWaalsContact O-N 3.08Å
17Y94.5Very high94.4Very high44 Ų4468.9 Ų68.917%0.17333%0.327CS..Hα-helixtrans-66.3-37.9178-65.9-52.9000112.3Q13 S14 C15 F21 Q126 W129Q13-Y17 HydrophobicContact CB-CD2 4.41Å; Q13-Y17 HydrophobicContact CB-CE2 4.04Å; Q13-Y17 WeakPolarHBondContact O-CD2 3.36Å; Q13-Y17 PolarHBondContact O-N 2.81Å; S14-Y17 PolarHBondContact O-N 3Å; C15-Y17 PolarHBondContact O-N 3.04Å; Y17-F21 WeakPolarHBondContact O-CB 3.49Å; Y17-F21 PolarHBondContact O-N 2.93Å; Y17-Q126 PolarHBondContact OH-OE1 3.15Å; Y17-W129 AromaticContact CD1-CD1 3.84Å; Y17-W129 AromaticContact CD1-NE1 3.31Å; Y17-W129 VanDerWaalsContact CD1-NE1 3.31Å; Y17-W129 AromaticContact CD2-CE2 3.76Å; Y17-W129 AromaticContact CD2-CZ2 3.59Å; Y17-W129 HydrophobicContact CD2-CZ2 3.59Å; Y17-W129 AromaticContact CD2-NE1 3.5Å; Y17-W129 AromaticContact CE1-NE1 3.67Å; Y17-W129 AromaticContact CE2-CZ2 3.99Å; Y17-W129 HydrophobicContact CE2-CZ2 3.99Å; Y17-W129 AromaticContact CE2-NE1 3.84Å; Y17-W129 AromaticContact CG-CD1 4Å; Y17-W129 AromaticContact CG-CE2 3.82Å; Y17-W129 HydrophobicContact CG-CZ2 4.11Å; Y17-W129 AromaticContact CG-NE1 3.23Å; Y17-W129 AromaticContact CZ-NE1 3.93Å
18A97.2Very high94.8Very high1 Ų162 Ų621%0.00830%0.298CS..Hα-helixtrans-63.7-45.7176.500000111.8S14 C15 F21 V22 L76 C78 L92 V94S14-A18 WeakPolarHBondContact O-CB 3.46Å; S14-A18 PolarHBondContact O-N 2.93Å; C15-A18 PolarHBondContact O-N 3.46Å; A18-F21 PolarHBondContact O-N 3.47Å; A18-V22 WeakPolarHBondContact O-CB 3.34Å; A18-V22 VanDerWaalsContact O-CG2 3.28Å; A18-V22 WeakPolarHBondContact O-CG2 3.17Å; A18-V22 PolarHBondContact O-N 2.92Å; A18-L76 HydrophobicContact CB-CD1 4.33Å; A18-C78 HydrophobicContact CB-CB 3.58Å; A18-L92 HydrophobicContact CB-CD2 4.2Å; A18-V94 HydrophobicContact CB-CG1 4.38Å; A18-V94 HydrophobicContact CB-CG2 3.95Å
19E97.3Very high95.1Very high112 Ų11253.5 Ų53.552%0.52327%0.266SS..Hα-helixtrans-60.5-47.6177.1-73.8174.1-168.300111.9C15 R16 V22 N23 L76C15-E19 WeakPolarHBondContact O-CG 3.47Å; C15-E19 PolarHBondContact O-N 3.25Å; R16-E19 PolarHBondContact O-N 2.8Å; E19-V22 PolarHBondContact O-N 3.26Å; E19-N23 PolarHBondContact O-N 2.88Å; E19-N23 VanDerWaalsContact O-N 3.16Å; E19-N23 PolarHBondContact O-ND2 3.14Å; E19-L76 HydrophobicContact CB-CD2 4.36Å; E19-L76 HydrophobicContact CG-CD2 3.73Å
20E96.4Very high95.5Very high118 Ų11853.2 Ų53.255%0.55126%0.263SS*.Hα-helixtrans-63.4-46177.7-172.8177.7-177.900111.4R16 V22 N23 I24R16-E20 PolarHBondContact O-N 2.97Å; R16-E20 VanDerWaalsContact O-N 3.08Å; E20-V22 PolarHBondContact O-N 2.83Å; E20-N23 PolarHBondContact O-N 2.91Å; E20-I24 HydrophobicContact CG-CD1 3.83Å; E20-I24 WeakPolarHBondContact O-CG1 3.23Å; E20-I24 PolarHBondContact O-N 3.4Å
21F97.5Very high96Very high15 Ų1557 Ų577%0.06628%0.279CS..Hα-helixtrans-57.5-48.3177.3167.2-97.9000111.8Y17 A18 N23 I24 Y25 F114 L116 I131Y17-F21 WeakPolarHBondContact O-CB 3.49Å; Y17-F21 PolarHBondContact O-N 2.93Å; A18-F21 PolarHBondContact O-N 3.47Å; F21-N23 VanDerWaalsContact C-N 3.33Å; F21-N23 PolarHBondContact O-N 3.37Å; F21-I24 PolarHBondContact O-N 2.97Å; F21-Y25 HydrophobicContact CE1-CG 4.43Å; F21-Y25 HydrophobicContact CE2-CD2 4.23Å; F21-Y25 AromaticContact CZ-CD2 3.87Å; F21-Y25 HydrophobicContact CZ-CD2 3.87Å; F21-Y25 AromaticContact CZ-CG 3.98Å; F21-Y25 HydrophobicContact CZ-CG 3.98Å; F21-Y25 VanDerWaalsContact O-CB 3.25Å; F21-Y25 WeakPolarHBondContact O-CB 3.38Å; F21-Y25 PolarHBondContact O-N 3.27Å; F21-F114 HydrophobicContact CE1-CB 4.31Å; F21-F114 HydrophobicContact CE1-CD1 4.21Å; F21-F114 AromaticContact CE1-CD2 3.73Å; F21-F114 HydrophobicContact CE1-CD2 3.73Å; F21-F114 HydrophobicContact CE1-CE1 4.44Å; F21-F114 AromaticContact CE1-CE2 3.99Å; F21-F114 HydrophobicContact CE1-CE2 3.99Å; F21-F114 AromaticContact CE1-CG 3.83Å; F21-F114 HydrophobicContact CE1-CG 3.83Å; F21-F114 HydrophobicContact CE1-CZ 4.32Å; F21-F114 HydrophobicContact CZ-CB 4.48Å; F21-F114 AromaticContact CZ-CD1 3.99Å; F21-F114 HydrophobicContact CZ-CD1 3.99Å; F21-F114 HydrophobicContact CZ-CD2 4.34Å; F21-F114 HydrophobicContact CZ-CE1 4.23Å; F21-F114 HydrophobicContact CZ-CG 4.03Å; F21-F114 HydrophobicContact CZ-CZ 4.5Å; F21-L116 HydrophobicContact CB-CD1 3.98Å; F21-L116 HydrophobicContact CD1-CD1 3.73Å; F21-L116 HydrophobicContact CD1-CD2 4.29Å; F21-L116 HydrophobicContact CD2-CD1 3.85Å; F21-L116 HydrophobicContact CD2-CD2 3.96Å; F21-L116 HydrophobicContact CE1-CD1 4.2Å; F21-L116 HydrophobicContact CE1-CD2 3.94Å; F21-L116 HydrophobicContact CE2-CD1 4.31Å; F21-L116 HydrophobicContact CE2-CD2 3.57Å; F21-L116 HydrophobicContact CG-CD1 3.54Å; F21-L116 HydrophobicContact CG-CD2 4.3Å; F21-L116 HydrophobicContact CZ-CD1 4.48Å; F21-L116 HydrophobicContact CZ-CD2 3.57Å; F21-I131 HydrophobicContact CE2-CD1 3.89Å; F21-I131 HydrophobicContact CE2-CG1 3.71Å; F21-I131 HydrophobicContact CZ-CD1 3.79Å; F21-I131 HydrophobicContact CZ-CG1 3.76Å
22V98Very high96.2Very high8 Ų861 Ų615%0.04829%0.291CS..Hα-helixtrans-60.5-45-178.9163.90000110.8A18 E19 E20 I24 Y25 Y26 V73 L76 V94 T96A18-V22 WeakPolarHBondContact O-CB 3.34Å; A18-V22 VanDerWaalsContact O-CG2 3.28Å; A18-V22 WeakPolarHBondContact O-CG2 3.17Å; A18-V22 PolarHBondContact O-N 2.92Å; E19-V22 PolarHBondContact O-N 3.26Å; E20-V22 PolarHBondContact O-N 2.83Å; V22-I24 PolarHBondContact O-N 2.87Å; V22-Y25 PolarHBondContact O-N 3.11Å; V22-Y26 HydrophobicContact CG1-CD2 3.76Å; V22-Y26 HydrophobicContact CG1-CE2 3.91Å; V22-Y26 VanDerWaalsContact O-CD2 3.26Å; V22-Y26 WeakPolarHBondContact O-CD2 3.42Å; V22-Y26 PolarHBondContact O-N 3.02Å; V22-V73 HydrophobicContact CG1-CB 4.44Å; V22-V73 HydrophobicContact CG1-CG1 4.18Å; V22-V73 HydrophobicContact CG1-CG2 4.06Å; V22-L76 HydrophobicContact CG2-CD1 3.77Å; V22-L76 HydrophobicContact CG2-CD2 4.3Å; V22-V94 HydrophobicContact CG2-CG1 4Å; V22-T96 HydrophobicContact CG1-CG2 4.47Å; V22-T96 HydrophobicContact CG2-CG2 3.68Å
23N97.1Very high96.2Very high117 Ų11759.1 Ų59.163%0.62628%0.278SS*.Hα-helixtrans-60.2-45.6176.9-72.6-37.8000111.8E19 E20 F21 D27E19-N23 PolarHBondContact O-N 2.88Å; E19-N23 VanDerWaalsContact O-N 3.16Å; E19-N23 PolarHBondContact O-ND2 3.14Å; E20-N23 PolarHBondContact O-N 2.91Å; F21-N23 VanDerWaalsContact C-N 3.33Å; F21-N23 PolarHBondContact O-N 3.37Å; N23-D27 VanDerWaalsContact O-CB 3.24Å; N23-D27 WeakPolarHBondContact O-CB 3.39Å; N23-D27 PolarHBondContact O-N 2.93Å
24I97.2Very high96.2Very high79 Ų7966 Ų6641%0.40530%0.3SS..Hα-helixtrans-66-46.4178.6-68168.4000111E20 F21 V22 C28 L39E20-I24 HydrophobicContact CG-CD1 3.83Å; E20-I24 WeakPolarHBondContact O-CG1 3.23Å; E20-I24 PolarHBondContact O-N 3.4Å; F21-I24 PolarHBondContact O-N 2.97Å; V22-I24 PolarHBondContact O-N 2.87Å; I24-C28 WeakPolarHBondContact O-CB 3.06Å; I24-C28 PolarHBondContact O-N 2.99Å; I24-L39 HydrophobicContact CG2-CD1 4.18Å; I24-L39 HydrophobicContact CG2-CD2 4.2Å
25Y98.5Very high96.1Very high2 Ų269 Ų691%0.00832%0.316CS..Hα-helixtrans-61-56.5-175.1-177-99.1000110.6F21 V22 D27 C28 V29 L36 L39 Y40 Q112 F114 I131 D134F21-Y25 HydrophobicContact CE1-CG 4.43Å; F21-Y25 HydrophobicContact CE2-CD2 4.23Å; F21-Y25 AromaticContact CZ-CD2 3.87Å; F21-Y25 HydrophobicContact CZ-CD2 3.87Å; F21-Y25 AromaticContact CZ-CG 3.98Å; F21-Y25 HydrophobicContact CZ-CG 3.98Å; F21-Y25 VanDerWaalsContact O-CB 3.25Å; F21-Y25 WeakPolarHBondContact O-CB 3.38Å; F21-Y25 PolarHBondContact O-N 3.27Å; V22-Y25 PolarHBondContact O-N 3.11Å; Y25-D27 PolarHBondContact O-N 2.83Å; Y25-C28 WeakPolarHBondContact O-CB 3.45Å; Y25-C28 PolarHBondContact O-N 2.84Å; Y25-C28 VanDerWaalsContact O-N 3.12Å; Y25-V29 HydrophobicContact CD1-CG2 3.93Å; Y25-V29 HydrophobicContact CE1-CG2 3.59Å; Y25-V29 HydrophobicContact CE2-CG2 4.25Å; Y25-V29 HydrophobicContact CG-CG2 4.41Å; Y25-V29 VanDerWaalsContact O-CG2 3.28Å; Y25-V29 WeakPolarHBondContact O-CG2 3.35Å; Y25-V29 PolarHBondContact O-N 2.79Å; Y25-L36 HydrophobicContact CD2-CD1 3.89Å; Y25-L36 HydrophobicContact CE2-CD1 3.61Å; Y25-L39 HydrophobicContact CD2-CD1 3.96Å; Y25-Y40 HydrophobicContact CE2-CE2 4.03Å; Y25-Y40 PolarHBondContact OH-OH 2.86Å; Y25-Q112 PolarHBondContact OH-NE2 3.12Å; Y25-F114 HydrophobicContact CD1-CE1 4.17Å; Y25-F114 AromaticContact CD1-CZ 3.72Å; Y25-F114 HydrophobicContact CD1-CZ 3.72Å; Y25-F114 HydrophobicContact CD2-CE1 4.39Å; Y25-F114 AromaticContact CE1-CE1 3.68Å; Y25-F114 HydrophobicContact CE1-CE1 3.68Å; Y25-F114 AromaticContact CE1-CZ 3.45Å; Y25-F114 HydrophobicContact CE1-CZ 3.45Å; Y25-F114 VanDerWaalsContact CE1-CZ 3.45Å; Y25-F114 AromaticContact CE2-CE1 3.95Å; Y25-F114 HydrophobicContact CE2-CE1 3.95Å; Y25-F114 HydrophobicContact CE2-CZ 4.47Å; Y25-F114 HydrophobicContact CG-CE1 4.49Å; Y25-F114 HydrophobicContact CG-CZ 4.33Å; Y25-F114 AromaticContact CZ-CE1 3.57Å; Y25-F114 AromaticContact CZ-CZ 3.88Å; Y25-I131 HydrophobicContact CD2-CD1 3.73Å; Y25-I131 HydrophobicContact CE2-CD1 3.53Å; Y25-D134 PolarHBondContact OH-OD2 3.39Å
26Y98.4Very high96.1Very high12 Ų1266.3 Ų66.35%0.04730%0.298CS..Hα-helixtrans-71-32-176.1-68.6-71.6000112.9V22 C28 V29 D30 F71 V73 T96 F110 Q112V22-Y26 HydrophobicContact CG1-CD2 3.76Å; V22-Y26 HydrophobicContact CG1-CE2 3.91Å; V22-Y26 VanDerWaalsContact O-CD2 3.26Å; V22-Y26 WeakPolarHBondContact O-CD2 3.42Å; V22-Y26 PolarHBondContact O-N 3.02Å; Y26-C28 VanDerWaalsContact C-N 3.31Å; Y26-C28 PolarHBondContact O-N 3.14Å; Y26-V29 PolarHBondContact O-N 2.59Å; Y26-D30 WeakPolarHBondContact O-CB 3.36Å; Y26-D30 PolarHBondContact O-N 2.92Å; Y26-F71 HydrophobicContact CD1-CB 3.6Å; Y26-F71 AromaticContact CD1-CD1 3.45Å; Y26-F71 HydrophobicContact CD1-CD1 3.45Å; Y26-F71 VanDerWaalsContact CD1-CD1 3.45Å; Y26-F71 HydrophobicContact CD1-CD2 4.1Å; Y26-F71 HydrophobicContact CD1-CE1 4.06Å; Y26-F71 AromaticContact CD1-CG 3.46Å; Y26-F71 HydrophobicContact CD1-CG 3.46Å; Y26-F71 VanDerWaalsContact CD1-CG 3.46Å; Y26-F71 HydrophobicContact CE1-CB 4.29Å; Y26-F71 AromaticContact CE1-CD1 3.3Å; Y26-F71 HydrophobicContact CE1-CD1 3.3Å; Y26-F71 AromaticContact CE1-CE1 3.61Å; Y26-F71 HydrophobicContact CE1-CE1 3.61Å; Y26-F71 AromaticContact CE1-CG 3.85Å; Y26-F71 HydrophobicContact CE1-CG 3.85Å; Y26-F71 HydrophobicContact CE1-CZ 4.4Å; Y26-F71 HydrophobicContact CG-CB 4.21Å; Y26-F71 HydrophobicContact CG-CG 4.5Å; Y26-V73 HydrophobicContact CD1-CG2 4.44Å; Y26-V73 HydrophobicContact CD2-CG2 3.34Å; Y26-V73 HydrophobicContact CE1-CG2 4.44Å; Y26-V73 HydrophobicContact CE2-CG2 3.35Å; Y26-V73 HydrophobicContact CG-CG2 3.92Å; Y26-T96 HydrophobicContact CE2-CG2 4.26Å; Y26-T96 PolarHBondContact OH-OG1 2.94Å; Y26-F110 HydrophobicContact CE1-CE2 4.25Å; Y26-F110 AromaticContact CE1-CZ 4Å; Y26-F110 HydrophobicContact CE1-CZ 4Å; Y26-F110 AromaticContact CZ-CZ 3.95Å; Y26-F110 VanDerWaalsContact OH-CE2 3.23Å; Y26-F110 WeakPolarHBondContact OH-CE2 3.25Å; Y26-Q112 PolarHBondContact OH-OE1 3.02Å
27D97.6Very high96.2Very high47 Ų4758.9 Ų58.925%0.25127%0.272SS..Hα-helixtrans-62.4-40.7169-175.675.9000111.4N23 Y25 K31 K32N23-D27 VanDerWaalsContact O-CB 3.24Å; N23-D27 WeakPolarHBondContact O-CB 3.39Å; N23-D27 PolarHBondContact O-N 2.93Å; Y25-D27 PolarHBondContact O-N 2.83Å; D27-K31 WeakPolarHBondContact O-CB 3.47Å; D27-K31 PolarHBondContact O-N 3.13Å; D27-K31 WeakPolarHBondContact OD1-CD 3.29Å; D27-K31 WeakPolarHBondContact OD1-CE 3.37Å; D27-K31 IonicContact OD1-NZ 2.74Å; D27-K31 PolarHBondContact OD1-NZ 2.87Å; D27-K32 IonicContact OD2-NZ 2.78Å; D27-K32 PolarHBondContact OD2-NZ 2.98Å
28C97.3Very high96.3Very high11 Ų1165.4 Ų65.47%0.07430%0.297CS..Hα-helixtrans-69.4-43.9179.6-1650000111.5I24 Y25 Y26 K32 R33 L36 L39I24-C28 WeakPolarHBondContact O-CB 3.06Å; I24-C28 PolarHBondContact O-N 2.99Å; Y25-C28 WeakPolarHBondContact O-CB 3.45Å; Y25-C28 PolarHBondContact O-N 2.84Å; Y25-C28 VanDerWaalsContact O-N 3.12Å; Y26-C28 VanDerWaalsContact C-N 3.31Å; Y26-C28 PolarHBondContact O-N 3.14Å; C28-K32 CarbonylContact O-C 3.6Å; C28-K32 WeakPolarHBondContact O-CA 3.03Å; C28-K32 PolarHBondContact O-N 2.95Å; C28-K32 PolarHBondContact SG-O 3.19Å; C28-R33 WeakPolarHBondContact O-CA 3.41Å; C28-R33 PolarHBondContact O-N 3.19Å; C28-L36 HydrophobicContact CB-CD1 4.27Å; C28-L36 VanDerWaalsContact SG-CA 3.57Å; C28-L39 HydrophobicContact CB-CD1 4.28Å
29V96.8Very high96.3Very high7 Ų767.1 Ų67.14%0.04231%0.305CS..Hα-helixtrans-55.2-54.8173175.40000108.7Y25 Y26 R33 L36 F71Y25-V29 HydrophobicContact CD1-CG2 3.93Å; Y25-V29 HydrophobicContact CE1-CG2 3.59Å; Y25-V29 HydrophobicContact CE2-CG2 4.25Å; Y25-V29 HydrophobicContact CG-CG2 4.41Å; Y25-V29 VanDerWaalsContact O-CG2 3.28Å; Y25-V29 WeakPolarHBondContact O-CG2 3.35Å; Y25-V29 PolarHBondContact O-N 2.79Å; Y26-V29 PolarHBondContact O-N 2.59Å; V29-R33 PolarHBondContact O-NE 3.39Å; V29-R33 PolarHBondContact O-NH2 3.05Å; V29-L36 HydrophobicContact CB-CD2 4.4Å; V29-L36 HydrophobicContact CG2-CD1 3.6Å; V29-L36 HydrophobicContact CG2-CD2 3.65Å; V29-L36 HydrophobicContact CG2-CG 4.29Å; V29-F71 HydrophobicContact CG1-CD2 4.09Å; V29-F71 HydrophobicContact CG1-CE2 3.64Å; V29-F71 HydrophobicContact CG1-CZ 4.48Å
30D97.7Very high96.3Very high39 Ų3961.8 Ų61.821%0.20928%0.281CS..Hα-helixtrans-69.8-44.8-173.1-73.2-11.9000113.7Y26 S69 F71Y26-D30 WeakPolarHBondContact O-CB 3.36Å; Y26-D30 PolarHBondContact O-N 2.92Å; D30-S69 VanDerWaalsContact CG-O 3.23Å; D30-S69 WeakPolarHBondContact OD1-CB 3.32Å; D30-S69 PolarHBondContact OD1-OG 3.2Å; D30-F71 VanDerWaalsContact OD1-CD2 3.32Å; D30-F71 WeakPolarHBondContact OD1-CD2 3.28Å; D30-F71 PolarHBondContact OD2-N 2.8Å
31K96.4Very high96.4Very high158 Ų15857.9 Ų57.969%0.68726%0.263SS*.Hα-helixtrans-113.1-21.6-165.8-54.9-179.7-164.7147.70114.8D27D27-K31 WeakPolarHBondContact O-CB 3.47Å; D27-K31 PolarHBondContact O-N 3.13Å; D27-K31 WeakPolarHBondContact OD1-CD 3.29Å; D27-K31 WeakPolarHBondContact OD1-CE 3.37Å; D27-K31 IonicContact OD1-NZ 2.74Å; D27-K31 PolarHBondContact OD1-NZ 2.87Å
32K94.9Very high96.3Very high108 Ų10863 Ų6347%0.4729%0.291SS..  trans-134.239.3-170.3-57.3172.3-173.5131.30112D27 C28 R34 N35D27-K32 IonicContact OD2-NZ 2.78Å; D27-K32 PolarHBondContact OD2-NZ 2.98Å; C28-K32 CarbonylContact O-C 3.6Å; C28-K32 WeakPolarHBondContact O-CA 3.03Å; C28-K32 PolarHBondContact O-N 2.95Å; C28-K32 PolarHBondContact SG-O 3.19Å; K32-R34 PolarHBondContact O-N 3.19Å; K32-N35 WeakPolarHBondContact O-CB 3.38Å; K32-N35 PolarHBondContact O-N 2.79Å
33R92.8Very high96.1Very high44 Ų4471.9 Ų71.917%0.16633%0.329CS..G310 helixtrans-52.2-32.8-168.9-159.4159.5-60.6102.90.1114.9C28 V29 N35 L36 F63 S69C28-R33 WeakPolarHBondContact O-CA 3.41Å; C28-R33 PolarHBondContact O-N 3.19Å; V29-R33 PolarHBondContact O-NE 3.39Å; V29-R33 PolarHBondContact O-NH2 3.05Å; R33-N35 PolarHBondContact O-N 2.98Å; R33-L36 HydrophobicContact CG-CD2 4.42Å; R33-L36 WeakPolarHBondContact O-CB 3.45Å; R33-L36 PolarHBondContact O-N 2.9Å; R33-F63 WeakPolarHBondContact CD-O 3.25Å; R33-F63 HydrophobicContact CG-CB 4.06Å; R33-S69 PolarHBondContact NH2-OG 3.01Å
34R89.9Confident96.2Very high214 Ų21466.4 Ų66.481%0.80830%0.3SS*.G310 helixtrans-59-25.6173.5-66.5-176.7-179.9173.20.8114.6K32K32-R34 PolarHBondContact O-N 3.19Å
35N92.9Very high96.2Very high76 Ų7665.1 Ų65.141%0.40630%0.296SS..G310 helixtrans-95.8-5.8179-65.9-34.5000112.7K32 R33 T37 R38K32-N35 WeakPolarHBondContact O-CB 3.38Å; K32-N35 PolarHBondContact O-N 2.79Å; R33-N35 PolarHBondContact O-N 2.98Å; N35-T37 VanDerWaalsContact C-N 3.35Å; N35-T37 PolarHBondContact O-N 2.68Å; N35-R38 WeakPolarHBondContact O-CB 3.28Å; N35-R38 PolarHBondContact O-N 3.39Å
36L95.9Very high96.2Very high0 Ų065 Ų650%030%0.296CS..G310 helixtrans-61.8-41.8-171.9-179.259.6000112.3Y25 C28 V29 R33 R38 L39 Y40 F63Y25-L36 HydrophobicContact CD2-CD1 3.89Å; Y25-L36 HydrophobicContact CE2-CD1 3.61Å; C28-L36 HydrophobicContact CB-CD1 4.27Å; C28-L36 VanDerWaalsContact SG-CA 3.57Å; V29-L36 HydrophobicContact CB-CD2 4.4Å; V29-L36 HydrophobicContact CG2-CD1 3.6Å; V29-L36 HydrophobicContact CG2-CD2 3.65Å; V29-L36 HydrophobicContact CG2-CG 4.29Å; R33-L36 HydrophobicContact CG-CD2 4.42Å; R33-L36 WeakPolarHBondContact O-CB 3.45Å; R33-L36 PolarHBondContact O-N 2.9Å; L36-R38 PolarHBondContact O-N 3.01Å; L36-R38 VanDerWaalsContact O-N 3.14Å; L36-L39 HydrophobicContact CD1-CD1 4.1Å; L36-L39 WeakPolarHBondContact O-CB 3.2Å; L36-L39 PolarHBondContact O-N 2.93Å; L36-Y40 HydrophobicContact CD1-CE2 4.46Å; L36-Y40 HydrophobicContact CG-CE2 4.26Å; L36-Y40 WeakPolarHBondContact O-CD2 3.41Å; L36-F63 HydrophobicContact CD2-CB 4.22Å; L36-F63 HydrophobicContact CD2-CD1 3.52Å; L36-F63 HydrophobicContact CD2-CD2 3.67Å; L36-F63 HydrophobicContact CD2-CE1 3.69Å; L36-F63 HydrophobicContact CD2-CE2 3.83Å; L36-F63 HydrophobicContact CD2-CG 3.54Å; L36-F63 HydrophobicContact CD2-CZ 3.85Å; L36-F63 HydrophobicContact CG-CD2 4.19Å; L36-F63 HydrophobicContact CG-CE2 4.2Å; L36-F63 HydrophobicContact CG-CG 4.49Å
37T96.2Very high96.3Very high25 Ų2566.9 Ų66.915%0.15331%0.308CS..G310 helixtrans-61-24.9-179.554.70000113.1N35 L39 Y40 Q56 L59 G60 F63N35-T37 VanDerWaalsContact C-N 3.35Å; N35-T37 PolarHBondContact O-N 2.68Å; T37-L39 PolarHBondContact O-N 3.42Å; T37-Y40 WeakPolarHBondContact O-CB 3.47Å; T37-Y40 PolarHBondContact O-N 2.96Å; T37-Q56 PolarHBondContact O-NE2 2.94Å; T37-Q56 PolarHBondContact O-OE1 3.49Å; T37-Q56 VanDerWaalsContact O-OE1 3.13Å; T37-L59 HydrophobicContact CG2-CB 4.15Å; T37-G60 VanDerWaalsContact CG2-CA 3.49Å; T37-F63 HydrophobicContact CG2-CD2 4.33Å
38R95.6Very high96.3Very high180 Ų18065.7 Ų65.768%0.67930%0.3SS*.G310 helixtrans-64-22.1175.2-63.4-179.9160.4-166.4-5.7113.4N35 L36 K130N35-R38 WeakPolarHBondContact O-CB 3.28Å; N35-R38 PolarHBondContact O-N 3.39Å; L36-R38 PolarHBondContact O-N 3.01Å; L36-R38 VanDerWaalsContact O-N 3.14Å; R38-K130 WeakPolarHBondContact O-CE 3.4Å
39L97.4Very high96.3Very high37 Ų3766.4 Ų66.419%0.19430%0.303CS..G310 helixtrans-75.7-14.8174.5-56.6-176.2000112.3I24 Y25 C28 L36 T37 K130 I131I24-L39 HydrophobicContact CG2-CD1 4.18Å; I24-L39 HydrophobicContact CG2-CD2 4.2Å; Y25-L39 HydrophobicContact CD2-CD1 3.96Å; C28-L39 HydrophobicContact CB-CD1 4.28Å; L36-L39 HydrophobicContact CD1-CD1 4.1Å; L36-L39 WeakPolarHBondContact O-CB 3.2Å; L36-L39 PolarHBondContact O-N 2.93Å; T37-L39 PolarHBondContact O-N 3.42Å; L39-K130 CarbonylContact O-C 3.49Å; L39-K130 VanDerWaalsContact O-CA 3.25Å; L39-K130 WeakPolarHBondContact O-CA 3.33Å; L39-I131 HydrophobicContact CB-CD1 4.18Å; L39-I131 PolarHBondContact O-N 2.93Å
40Y98.3Very high96.3Very high0 Ų068.2 Ų68.20%032%0.324CS..EExtended strand (participates in β ladder)trans-92.7152.3179.6-69.3-103.7000111.4Y25 L36 T37 A44 Q56 L59 F63 I131 D134Y25-Y40 HydrophobicContact CE2-CE2 4.03Å; Y25-Y40 PolarHBondContact OH-OH 2.86Å; L36-Y40 HydrophobicContact CD1-CE2 4.46Å; L36-Y40 HydrophobicContact CG-CE2 4.26Å; L36-Y40 WeakPolarHBondContact O-CD2 3.41Å; T37-Y40 WeakPolarHBondContact O-CB 3.47Å; T37-Y40 PolarHBondContact O-N 2.96Å; Y40-A44 HydrophobicContact CD1-CB 3.74Å; Y40-A44 HydrophobicContact CG-CB 4.33Å; Y40-Q56 PolarHBondContact O-NE2 3.45Å; Y40-Q56 VanDerWaalsContact O-NE2 3.14Å; Y40-L59 HydrophobicContact CD1-CD1 3.73Å; Y40-L59 HydrophobicContact CD1-CD2 4.49Å; Y40-L59 HydrophobicContact CE1-CD1 4.36Å; Y40-L59 HydrophobicContact CE1-CD2 4.32Å; Y40-L59 HydrophobicContact CG-CD1 3.92Å; Y40-F63 AromaticContact CE2-CE2 3.79Å; Y40-F63 HydrophobicContact CE2-CE2 3.79Å; Y40-F63 HydrophobicContact CE2-CZ 4.14Å; Y40-F63 AromaticContact CZ-CE2 3.87Å; Y40-F63 AromaticContact CZ-CZ 3.88Å; Y40-F63 WeakPolarHBondContact OH-CZ 3.49Å; Y40-I131 HydrophobicContact CD1-CB 3.74Å; Y40-I131 HydrophobicContact CD1-CD1 4.2Å; Y40-I131 HydrophobicContact CD1-CG2 3.68Å; Y40-I131 HydrophobicContact CD2-CD1 3.91Å; Y40-I131 HydrophobicContact CE1-CB 3.99Å; Y40-I131 HydrophobicContact CE1-CD1 3.89Å; Y40-I131 HydrophobicContact CE1-CG2 3.58Å; Y40-I131 HydrophobicContact CE2-CD1 3.57Å; Y40-I131 HydrophobicContact CG-CB 4.09Å; Y40-I131 HydrophobicContact CG-CD1 4.21Å; Y40-D134 HydrophobicContact CE1-CB 3.99Å; Y40-D134 PolarHBondContact OH-OD2 2.98Å
41L97.5Very high96.3Very high36 Ų3671.4 Ų71.419%0.18834%0.341CS..EExtended strand (participates in β ladder)trans-70.6162163.9-67.5176.2000110.7K43 A44 Q56 Q119 K130 I131 A132L41-K43 PolarHBondContact O-N 2.94Å; L41-A44 HydrophobicContact CB-CB 4.25Å; L41-A44 VanDerWaalsContact O-CB 3.28Å; L41-A44 WeakPolarHBondContact O-CB 3.38Å; L41-A44 PolarHBondContact O-N 3.18Å; L41-A44 VanDerWaalsContact O-N 3.14Å; L41-Q56 PolarHBondContact O-NE2 2.84Å; L41-Q56 VanDerWaalsContact O-NE2 3.11Å; L41-Q119 HydrophobicContact CD2-CG 3.93Å; L41-K130 HydrophobicContact CD2-CB 3.65Å; L41-K130 HydrophobicContact CD2-CD 3.79Å; L41-K130 HydrophobicContact CD2-CG 4.33Å; L41-K130 HydrophobicContact CG-CB 3.85Å; L41-I131 PolarHBondContact N-O 3.31Å; L41-A132 HydrophobicContact CD1-CB 3.82Å
42D95.9Very high96.4Very high123 Ų12367.8 Ų67.866%0.65834%0.34SS*.EExtended strand (participates in β ladder)trans-61.5-34.8-178.2-62-12.3000112.6
43K94.4Very high96.6Very high195 Ų19563.5 Ų63.585%0.84832%0.323SS*.EExtended strand (participates in β ladder)trans-103.519.2179.4-62-174.9178.8179.90113.1L41L41-K43 PolarHBondContact O-N 2.94Å
44A97.9Very high96.8Very high1 Ų164.9 Ų64.91%0.00834%0.339CS..EExtended strand (participates in β ladder)trans-66151.7-178.700000111.8Y40 L41 G55 L59 I131 A132Y40-A44 HydrophobicContact CD1-CB 3.74Å; Y40-A44 HydrophobicContact CG-CB 4.33Å; L41-A44 HydrophobicContact CB-CB 4.25Å; L41-A44 VanDerWaalsContact O-CB 3.28Å; L41-A44 WeakPolarHBondContact O-CB 3.38Å; L41-A44 PolarHBondContact O-N 3.18Å; L41-A44 VanDerWaalsContact O-N 3.14Å; A44-G55 PolarHBondContact O-N 3Å; A44-L59 HydrophobicContact CB-CD1 4.34Å; A44-I131 WeakPolarHBondContact CB-O 3.49Å; A44-A132 VanDerWaalsContact CA-O 3.29Å; A44-A132 WeakPolarHBondContact CA-O 3.38Å
45T98.4Very high97.1Very high53 Ų5355.6 Ų55.633%0.32531%0.311SS..EExtended strand (participates in β ladder)trans-121.3138.7177.7600000110.9V53 S54 A132 S133 D134T45-V53 CarbonylContact C-O 3.59Å; T45-V53 WeakPolarHBondContact CA-O 3.43Å; T45-S54 WeakPolarHBondContact CG2-OG 3.23Å; T45-A132 PolarHBondContact N-O 2.91Å; T45-S133 CarbonylContact O-C 3.51Å; T45-S133 WeakPolarHBondContact O-CA 3.39Å; T45-D134 PolarHBondContact O-N 3.4Å
46L98.8Very high97.2Very high0 Ų054.3 Ų54.30%030%0.302CS..EExtended strand (participates in β ladder)trans-113.8134.8170.1165.465.5000109.3W48 A52 V53 L59 F62 F63 D134L46-W48 HydrophobicContact CD1-CB 4.37Å; L46-W48 HydrophobicContact CD1-CE3 4.15Å; L46-W48 HydrophobicContact CD2-CB 4.27Å; L46-W48 HydrophobicContact CD2-CE3 4.25Å; L46-W48 HydrophobicContact CG-CB 4.21Å; L46-A52 CarbonylContact O-C 2.97Å; L46-A52 WeakPolarHBondContact O-CA 3.3Å; L46-V53 HydrophobicContact CB-CB 4.25Å; L46-V53 PolarHBondContact N-O 3Å; L46-V53 PolarHBondContact O-N 2.83Å; L46-L59 HydrophobicContact CB-CD2 3.55Å; L46-L59 HydrophobicContact CD2-CD2 4.1Å; L46-L59 HydrophobicContact CG-CD2 4.49Å; L46-F62 HydrophobicContact CD2-CD1 3.56Å; L46-F62 HydrophobicContact CD2-CE1 3.43Å; L46-F62 VanDerWaalsContact CD2-CE1 3.43Å; L46-F62 HydrophobicContact CD2-CZ 4.3Å; L46-F63 HydrophobicContact CD2-CE1 4.24Å; L46-F63 HydrophobicContact CD2-CZ 3.87Å; L46-D134 CarbonylContact C-O 3.57Å; L46-D134 VanDerWaalsContact CA-O 3.29Å; L46-D134 WeakPolarHBondContact CA-O 3.33Å; L46-D134 HydrophobicContact CB-CB 4.47Å; L46-D134 HydrophobicContact CD1-CB 3.77Å; L46-D134 WeakPolarHBondContact CD1-OD2 3.41Å
47V98.8Very high97.2Very high51 Ų5161 Ų6131%0.30934%0.338SS..EExtended strand (participates in β ladder)trans-112.1106.1164.6-179.40000108.5N51 D134 C135 F136V47-N51 CarbonylContact C-O 3.55Å; V47-N51 WeakPolarHBondContact CA-O 3.29Å; V47-D134 PolarHBondContact N-O 2.85Å; V47-C135 HydrophobicContact CB-CB 4.49Å; V47-C135 WeakPolarHBondContact O-CA 3.1Å; V47-F136 PolarHBondContact O-N 3.22Å
48W98.4Very high97.2Very high21 Ų2161.6 Ų61.68%0.0835%0.346CS..EExtended strand (participates in β ladder)trans-106.2106.7-179-170.4-86.6000111.1L46 G50 N51 F62 L66 F71 F102 F136L46-W48 HydrophobicContact CD1-CB 4.37Å; L46-W48 HydrophobicContact CD1-CE3 4.15Å; L46-W48 HydrophobicContact CD2-CB 4.27Å; L46-W48 HydrophobicContact CD2-CE3 4.25Å; L46-W48 HydrophobicContact CG-CB 4.21Å; W48-G50 PolarHBondContact O-N 3.01Å; W48-G50 VanDerWaalsContact O-N 3.12Å; W48-N51 PolarHBondContact N-O 2.77Å; W48-N51 WeakPolarHBondContact O-CB 3.29Å; W48-N51 PolarHBondContact O-N 3.39Å; W48-N51 PolarHBondContact O-ND2 2.88Å; W48-F62 HydrophobicContact CB-CE1 4.22Å; W48-F62 HydrophobicContact CB-CE2 4.36Å; W48-F62 HydrophobicContact CB-CZ 3.66Å; W48-F62 AromaticContact CD1-CZ 3.71Å; W48-F62 AromaticContact CD2-CE1 3.97Å; W48-F62 HydrophobicContact CD2-CE1 3.97Å; W48-F62 AromaticContact CD2-CZ 3.67Å; W48-F62 HydrophobicContact CD2-CZ 3.67Å; W48-F62 AromaticContact CE3-CE1 3.99Å; W48-F62 HydrophobicContact CE3-CE1 3.99Å; W48-F62 HydrophobicContact CE3-CZ 4.19Å; W48-F62 HydrophobicContact CG-CE1 4.09Å; W48-F62 HydrophobicContact CG-CE2 4.34Å; W48-F62 AromaticContact CG-CZ 3.42Å; W48-F62 HydrophobicContact CG-CZ 3.42Å; W48-F62 VanDerWaalsContact CG-CZ 3.42Å; W48-L66 HydrophobicContact CH2-CD1 4.09Å; W48-L66 HydrophobicContact CZ2-CD1 4.08Å; W48-L66 HydrophobicContact CZ3-CD1 4.49Å; W48-F71 HydrophobicContact CH2-CZ 4.41Å; W48-F102 AromaticContact CH2-CZ 3.95Å; W48-F102 HydrophobicContact CH2-CZ 3.95Å; W48-F102 HydrophobicContact CZ2-CE2 4.26Å; W48-F102 AromaticContact CZ2-CZ 3.73Å; W48-F102 HydrophobicContact CZ2-CZ 3.73Å; W48-F136 HydrophobicContact CD2-CB 3.98Å; W48-F136 AromaticContact CD2-CD1 3.51Å; W48-F136 HydrophobicContact CD2-CD1 3.51Å; W48-F136 HydrophobicContact CD2-CE1 4.25Å; W48-F136 AromaticContact CD2-CG 3.89Å; W48-F136 HydrophobicContact CD2-CG 3.89Å; W48-F136 AromaticContact CE2-CD1 3.44Å; W48-F136 VanDerWaalsContact CE2-CD1 3.44Å; W48-F136 AromaticContact CE2-CE1 3.7Å; W48-F136 HydrophobicContact CE3-CB 3.43Å; W48-F136 VanDerWaalsContact CE3-CB 3.43Å; W48-F136 AromaticContact CE3-CD1 3.69Å; W48-F136 HydrophobicContact CE3-CD1 3.69Å; W48-F136 HydrophobicContact CE3-CD2 4.31Å; W48-F136 AromaticContact CE3-CG 3.54Å; W48-F136 HydrophobicContact CE3-CG 3.54Å; W48-F136 HydrophobicContact CG-CD1 4.19Å; W48-F136 HydrophobicContact CH2-CB 4.48Å; W48-F136 AromaticContact CH2-CD1 3.73Å; W48-F136 HydrophobicContact CH2-CD1 3.73Å; W48-F136 AromaticContact CH2-CD2 3.83Å; W48-F136 HydrophobicContact CH2-CD2 3.83Å; W48-F136 AromaticContact CH2-CE1 3.84Å; W48-F136 HydrophobicContact CH2-CE1 3.84Å; W48-F136 AromaticContact CH2-CE2 3.93Å; W48-F136 HydrophobicContact CH2-CE2 3.93Å; W48-F136 AromaticContact CH2-CG 3.73Å; W48-F136 HydrophobicContact CH2-CG 3.73Å; W48-F136 AromaticContact CH2-CZ 3.94Å; W48-F136 HydrophobicContact CH2-CZ 3.94Å; W48-F136 AromaticContact CZ2-CD1 3.57Å; W48-F136 HydrophobicContact CZ2-CD1 3.57Å; W48-F136 HydrophobicContact CZ2-CD2 4.45Å; W48-F136 AromaticContact CZ2-CE1 3.48Å; W48-F136 HydrophobicContact CZ2-CE1 3.48Å; W48-F136 VanDerWaalsContact CZ2-CE1 3.48Å; W48-F136 HydrophobicContact CZ2-CE2 4.37Å; W48-F136 HydrophobicContact CZ2-CG 4.08Å; W48-F136 AromaticContact CZ2-CZ 3.91Å; W48-F136 HydrophobicContact CZ2-CZ 3.91Å; W48-F136 HydrophobicContact CZ3-CB 3.71Å; W48-F136 AromaticContact CZ3-CD1 3.79Å; W48-F136 HydrophobicContact CZ3-CD1 3.79Å; W48-F136 AromaticContact CZ3-CD2 3.75Å; W48-F136 HydrophobicContact CZ3-CD2 3.75Å; W48-F136 HydrophobicContact CZ3-CE1 4.37Å; W48-F136 HydrophobicContact CZ3-CE2 4.33Å; W48-F136 AromaticContact CZ3-CG 3.45Å; W48-F136 HydrophobicContact CZ3-CG 3.45Å; W48-F136 VanDerWaalsContact CZ3-CG 3.45Å
49N97.8Very high97.3Very high26 Ų2653 Ų5314%0.13931%0.313CS..THydrogen-bonded Turntrans52.331.6-175.1-66.2-67.6000113.3F136 R137 F138N49-F136 PolarHBondContact N-O 2.89Å; N49-R137 WeakPolarHBondContact OD1-CA 3.45Å; N49-F138 VanDerWaalsContact ND2-CD2 3.34Å; N49-F138 WeakPolarHBondContact ND2-CD2 3.36Å; N49-F138 WeakPolarHBondContact ND2-CE2 3.14Å; N49-F138 WeakPolarHBondContact OD1-CD2 3.46Å; N49-F138 PolarHBondContact OD1-N 2.81Å
50G97.2Very high97.3Very high46 Ų4652.1 Ų52.147%0.47431%0.312SS..THydrogen-bonded Turntrans94.4-6.7-17800000115.2W48W48-G50 PolarHBondContact O-N 3.01Å; W48-G50 VanDerWaalsContact O-N 3.12Å
51N97.8Very high97.2Very high106 Ų10658.9 Ų58.957%0.56734%0.344SS*.EExtended strand (participates in β ladder)trans-89.5122.4174.9-55.3-78.2000109.7V47 W48V47-N51 CarbonylContact C-O 3.55Å; V47-N51 WeakPolarHBondContact CA-O 3.29Å; W48-N51 PolarHBondContact N-O 2.77Å; W48-N51 WeakPolarHBondContact O-CB 3.29Å; W48-N51 PolarHBondContact O-N 3.39Å; W48-N51 PolarHBondContact O-ND2 2.88Å
52A98.1Very high97.2Very high81 Ų8158.9 Ų58.967%0.66934%0.343SS*.EExtended strand (participates in β ladder)trans-84.8134.5179.200000111.4L46L46-A52 CarbonylContact O-C 2.97Å; L46-A52 WeakPolarHBondContact O-CA 3.3Å
53V98.4Very high97.3Very high19 Ų1953.2 Ų53.212%0.11531%0.312CS..EExtended strand (participates in β ladder)trans-128.9135.8173.9-175.90000107T45 L46 A58 L59 F62T45-V53 CarbonylContact C-O 3.59Å; T45-V53 WeakPolarHBondContact CA-O 3.43Å; L46-V53 HydrophobicContact CB-CB 4.25Å; L46-V53 PolarHBondContact N-O 3Å; L46-V53 PolarHBondContact O-N 2.83Å; V53-A58 VanDerWaalsContact CG1-C 3.48Å; V53-A58 HydrophobicContact CG1-CB 3.82Å; V53-A58 WeakPolarHBondContact CG1-O 3.25Å; V53-L59 HydrophobicContact CB-CD2 4.38Å; V53-L59 HydrophobicContact CG1-CD2 3.96Å; V53-L59 HydrophobicContact CG1-CG 4.2Å; V53-F62 HydrophobicContact CG1-CB 4.05Å; V53-F62 HydrophobicContact CG2-CB 4.3Å; V53-F62 HydrophobicContact CG2-CD2 3.94Å; V53-F62 HydrophobicContact CG2-CE2 4.49Å; V53-F62 HydrophobicContact CG2-CG 4.01Å
54S97.4Very high97.3Very high72 Ų7250.6 Ų50.650%0.50330%0.303SS..EExtended strand (participates in β ladder)trans-144.8134.1-172.4-61.20000111.7T45 A58T45-S54 WeakPolarHBondContact CG2-OG 3.23Å; S54-A58 WeakPolarHBondContact O-CB 3.41Å
55G95.3Very high97.2Very high20 Ų2054.7 Ų54.721%0.20633%0.331CS..SBendtrans85.8156.2-178.200000113.6A44 D57 A58 L59A44-G55 PolarHBondContact O-N 3Å; G55-D57 PolarHBondContact O-N 3.14Å; G55-A58 PolarHBondContact O-N 2.8Å; G55-L59 WeakPolarHBondContact O-CB 3.42Å; G55-L59 WeakPolarHBondContact O-CD1 3.42Å; G55-L59 VanDerWaalsContact O-CG 3.23Å; G55-L59 WeakPolarHBondContact O-CG 3.42Å; G55-L59 PolarHBondContact O-N 3.12Å
56Q95.4Very high97.1Very high49 Ų4953.7 Ų53.723%0.22932%0.324CS..Hα-helixtrans-57.8-46.2-172.8-76-75.6-39.700113.7T37 Y40 L41 L59 G60T37-Q56 PolarHBondContact O-NE2 2.94Å; T37-Q56 PolarHBondContact O-OE1 3.49Å; T37-Q56 VanDerWaalsContact O-OE1 3.13Å; Y40-Q56 PolarHBondContact O-NE2 3.45Å; Y40-Q56 VanDerWaalsContact O-NE2 3.14Å; L41-Q56 PolarHBondContact O-NE2 2.84Å; L41-Q56 VanDerWaalsContact O-NE2 3.11Å; Q56-L59 PolarHBondContact O-N 2.89Å; Q56-G60 PolarHBondContact O-N 3.48Å
57D95.6Very high97Very high139 Ų13956.2 Ų56.274%0.74334%0.34SS*.Hα-helixtrans-63.5-49.5-176.4-61.3-20.7000111G55 L59 G60 E61G55-D57 PolarHBondContact O-N 3.14Å; D57-L59 VanDerWaalsContact C-N 3.33Å; D57-L59 PolarHBondContact O-N 2.92Å; D57-G60 PolarHBondContact O-N 2.91Å; D57-G60 VanDerWaalsContact O-N 3.12Å; D57-E61 PolarHBondContact O-N 3.48Å
58A97.4Very high97Very high39 Ų3956.7 Ų56.732%0.32235%0.346SS..Hα-helixtrans-65-36.4178.700000112.3V53 S54 G55 F62V53-A58 VanDerWaalsContact CG1-C 3.48Å; V53-A58 HydrophobicContact CG1-CB 3.82Å; V53-A58 WeakPolarHBondContact CG1-O 3.25Å; S54-A58 WeakPolarHBondContact O-CB 3.41Å; G55-A58 PolarHBondContact O-N 2.8Å; A58-F62 WeakPolarHBondContact O-CB 3.44Å; A58-F62 PolarHBondContact O-N 3.32Å
59L98.2Very high97Very high0 Ų056.1 Ų56.10%035%0.345CS..Hα-helixtrans-63.5-42.3172.5-73.7167.4000111.3T37 Y40 A44 L46 V53 G55 Q56 D57 F62 F63T37-L59 HydrophobicContact CG2-CB 4.15Å; Y40-L59 HydrophobicContact CD1-CD1 3.73Å; Y40-L59 HydrophobicContact CD1-CD2 4.49Å; Y40-L59 HydrophobicContact CE1-CD1 4.36Å; Y40-L59 HydrophobicContact CE1-CD2 4.32Å; Y40-L59 HydrophobicContact CG-CD1 3.92Å; A44-L59 HydrophobicContact CB-CD1 4.34Å; L46-L59 HydrophobicContact CB-CD2 3.55Å; L46-L59 HydrophobicContact CD2-CD2 4.1Å; L46-L59 HydrophobicContact CG-CD2 4.49Å; V53-L59 HydrophobicContact CB-CD2 4.38Å; V53-L59 HydrophobicContact CG1-CD2 3.96Å; V53-L59 HydrophobicContact CG1-CG 4.2Å; G55-L59 WeakPolarHBondContact O-CB 3.42Å; G55-L59 WeakPolarHBondContact O-CD1 3.42Å; G55-L59 VanDerWaalsContact O-CG 3.23Å; G55-L59 WeakPolarHBondContact O-CG 3.42Å; G55-L59 PolarHBondContact O-N 3.12Å; Q56-L59 PolarHBondContact O-N 2.89Å; D57-L59 VanDerWaalsContact C-N 3.33Å; D57-L59 PolarHBondContact O-N 2.92Å; L59-F62 PolarHBondContact O-N 2.88Å; L59-F63 HydrophobicContact CB-CD2 4.43Å; L59-F63 HydrophobicContact CB-CE2 4.35Å; L59-F63 HydrophobicContact CD2-CE2 4.07Å; L59-F63 WeakPolarHBondContact O-CD2 3.28Å; L59-F63 PolarHBondContact O-N 2.95Å
60G96.4Very high97Very high17 Ų1760.3 Ų60.318%0.17536%0.364CS..Hα-helixtrans-59.7-54.4177.200000111.9T37 Q56 D57 F62 F63 E64T37-G60 VanDerWaalsContact CG2-CA 3.49Å; Q56-G60 PolarHBondContact O-N 3.48Å; D57-G60 PolarHBondContact O-N 2.91Å; D57-G60 VanDerWaalsContact O-N 3.12Å; G60-F62 VanDerWaalsContact C-N 3.3Å; G60-F62 PolarHBondContact O-N 2.85Å; G60-F63 PolarHBondContact O-N 2.96Å; G60-E64 WeakPolarHBondContact O-CB 3.23Å; G60-E64 WeakPolarHBondContact O-CG 3.27Å; G60-E64 PolarHBondContact O-N 3.23Å
61E96.9Very high97.1Very high143 Ų14359.1 Ų59.167%0.66835%0.346SS*.Hα-helixtrans-57.8-43.9176.6-69.1178.8-179.800111.7D57 E64 S65D57-E61 PolarHBondContact O-N 3.48Å; E61-E64 PolarHBondContact O-N 3.05Å; E61-S65 WeakPolarHBondContact O-CB 3.42Å; E61-S65 PolarHBondContact O-N 3.11Å
62F97.9Very high97.1Very high36 Ų3659.3 Ų59.316%0.15834%0.343CS..Hα-helixtrans-60.4-51.8178.7176.1-98.9000111.7L46 W48 V53 A58 L59 G60 E64 S65 L66L46-F62 HydrophobicContact CD2-CD1 3.56Å; L46-F62 HydrophobicContact CD2-CE1 3.43Å; L46-F62 VanDerWaalsContact CD2-CE1 3.43Å; L46-F62 HydrophobicContact CD2-CZ 4.3Å; W48-F62 HydrophobicContact CB-CE1 4.22Å; W48-F62 HydrophobicContact CB-CE2 4.36Å; W48-F62 HydrophobicContact CB-CZ 3.66Å; W48-F62 AromaticContact CD1-CZ 3.71Å; W48-F62 AromaticContact CD2-CE1 3.97Å; W48-F62 HydrophobicContact CD2-CE1 3.97Å; W48-F62 AromaticContact CD2-CZ 3.67Å; W48-F62 HydrophobicContact CD2-CZ 3.67Å; W48-F62 AromaticContact CE3-CE1 3.99Å; W48-F62 HydrophobicContact CE3-CE1 3.99Å; W48-F62 HydrophobicContact CE3-CZ 4.19Å; W48-F62 HydrophobicContact CG-CE1 4.09Å; W48-F62 HydrophobicContact CG-CE2 4.34Å; W48-F62 AromaticContact CG-CZ 3.42Å; W48-F62 HydrophobicContact CG-CZ 3.42Å; W48-F62 VanDerWaalsContact CG-CZ 3.42Å; V53-F62 HydrophobicContact CG1-CB 4.05Å; V53-F62 HydrophobicContact CG2-CB 4.3Å; V53-F62 HydrophobicContact CG2-CD2 3.94Å; V53-F62 HydrophobicContact CG2-CE2 4.49Å; V53-F62 HydrophobicContact CG2-CG 4.01Å; A58-F62 WeakPolarHBondContact O-CB 3.44Å; A58-F62 PolarHBondContact O-N 3.32Å; L59-F62 PolarHBondContact O-N 2.88Å; G60-F62 VanDerWaalsContact C-N 3.3Å; G60-F62 PolarHBondContact O-N 2.85Å; F62-E64 PolarHBondContact O-N 2.8Å; F62-S65 PolarHBondContact O-N 2.88Å; F62-S65 VanDerWaalsContact O-N 3.17Å; F62-S65 PolarHBondContact O-OG 3.05Å; F62-L66 HydrophobicContact CD1-CD1 4.46Å; F62-L66 HydrophobicContact CE1-CD1 3.75Å; F62-L66 HydrophobicContact CE1-CD2 4.41Å; F62-L66 HydrophobicContact CE1-CG 4.17Å; F62-L66 HydrophobicContact CE2-CD2 4.38Å; F62-L66 HydrophobicContact CZ-CD1 4.1Å; F62-L66 HydrophobicContact CZ-CD2 3.96Å; F62-L66 HydrophobicContact CZ-CG 4.22Å; F62-L66 PolarHBondContact O-N 2.77Å
63F97.4Very high97.1Very high4 Ų458 Ų582%0.01833%0.327CS..Hα-helixtrans-67.8-34.2-178.8-72.8-57.1000112.9R33 L36 T37 Y40 L46 L59 G60 S65 L66R33-F63 WeakPolarHBondContact CD-O 3.25Å; R33-F63 HydrophobicContact CG-CB 4.06Å; L36-F63 HydrophobicContact CD2-CB 4.22Å; L36-F63 HydrophobicContact CD2-CD1 3.52Å; L36-F63 HydrophobicContact CD2-CD2 3.67Å; L36-F63 HydrophobicContact CD2-CE1 3.69Å; L36-F63 HydrophobicContact CD2-CE2 3.83Å; L36-F63 HydrophobicContact CD2-CG 3.54Å; L36-F63 HydrophobicContact CD2-CZ 3.85Å; L36-F63 HydrophobicContact CG-CD2 4.19Å; L36-F63 HydrophobicContact CG-CE2 4.2Å; L36-F63 HydrophobicContact CG-CG 4.49Å; T37-F63 HydrophobicContact CG2-CD2 4.33Å; Y40-F63 AromaticContact CE2-CE2 3.79Å; Y40-F63 HydrophobicContact CE2-CE2 3.79Å; Y40-F63 HydrophobicContact CE2-CZ 4.14Å; Y40-F63 AromaticContact CZ-CE2 3.87Å; Y40-F63 AromaticContact CZ-CZ 3.88Å; Y40-F63 WeakPolarHBondContact OH-CZ 3.49Å; L46-F63 HydrophobicContact CD2-CE1 4.24Å; L46-F63 HydrophobicContact CD2-CZ 3.87Å; L59-F63 HydrophobicContact CB-CD2 4.43Å; L59-F63 HydrophobicContact CB-CE2 4.35Å; L59-F63 HydrophobicContact CD2-CE2 4.07Å; L59-F63 WeakPolarHBondContact O-CD2 3.28Å; L59-F63 PolarHBondContact O-N 2.95Å; G60-F63 PolarHBondContact O-N 2.96Å; F63-S65 VanDerWaalsContact C-N 3.27Å; F63-S65 PolarHBondContact O-N 2.81Å; F63-L66 HydrophobicContact CD1-CD1 4.04Å; F63-L66 PolarHBondContact O-N 2.83Å
64E94.9Very high97.1Very high140 Ų14062.7 Ų62.765%0.65435%0.347SS*.Hα-helixtrans-66.6-29.6173.3-73.2-172.8168.600112.8G60 E61 F62 L66G60-E64 WeakPolarHBondContact O-CB 3.23Å; G60-E64 WeakPolarHBondContact O-CG 3.27Å; G60-E64 PolarHBondContact O-N 3.23Å; E61-E64 PolarHBondContact O-N 3.05Å; F62-E64 PolarHBondContact O-N 2.8Å; E64-L66 VanDerWaalsContact C-N 3.32Å
65S95.6Very high97.2Very high86 Ų8663.3 Ų63.360%0.60135%0.348SS*.Hα-helixtrans-75.2-18.6176.579.30000114.1E61 F62 F63E61-S65 WeakPolarHBondContact O-CB 3.42Å; E61-S65 PolarHBondContact O-N 3.11Å; F62-S65 PolarHBondContact O-N 2.88Å; F62-S65 VanDerWaalsContact O-N 3.17Å; F62-S65 PolarHBondContact O-OG 3.05Å; F63-S65 VanDerWaalsContact C-N 3.27Å; F63-S65 PolarHBondContact O-N 2.81Å
66L96Very high97.3Very high33 Ų3365.5 Ų65.517%0.17336%0.355CS..SBendtrans-73.9142.3179.7-69.2-176.6000111.3W48 F62 F63 E64W48-L66 HydrophobicContact CH2-CD1 4.09Å; W48-L66 HydrophobicContact CZ2-CD1 4.08Å; W48-L66 HydrophobicContact CZ3-CD1 4.49Å; F62-L66 HydrophobicContact CD1-CD1 4.46Å; F62-L66 HydrophobicContact CE1-CD1 3.75Å; F62-L66 HydrophobicContact CE1-CD2 4.41Å; F62-L66 HydrophobicContact CE1-CG 4.17Å; F62-L66 HydrophobicContact CE2-CD2 4.38Å; F62-L66 HydrophobicContact CZ-CD1 4.1Å; F62-L66 HydrophobicContact CZ-CD2 3.96Å; F62-L66 HydrophobicContact CZ-CG 4.22Å; F62-L66 PolarHBondContact O-N 2.77Å; F63-L66 HydrophobicContact CD1-CD1 4.04Å; F63-L66 PolarHBondContact O-N 2.83Å; E64-L66 VanDerWaalsContact C-N 3.32Å
67P97.1Very high97.5Very high53 Ų5367.3 Ų67.334%0.34437%0.366SS..PPolyproline II helixtrans-58.8161.1170.1-19.931.2000111.9S69 F102 E103P67-S69 PolarHBondContact O-N 3.08Å; P67-F102 HydrophobicContact CB-CB 4.3Å; P67-F102 HydrophobicContact CB-CD1 4.4Å; P67-E103 HydrophobicContact CB-CB 4.11Å
68S97.6Very high97.6Very high61 Ų6161.6 Ų61.643%0.42734%0.337SS..PPolyproline II helixtrans-53.3141169.1-48.80000110.3F102 E103S68-F102 CarbonylContact O-C 3.53Å; S68-F102 WeakPolarHBondContact O-CA 3.31Å; S68-E103 WeakPolarHBondContact CB-OE2 3.34Å; S68-E103 PolarHBondContact O-N 3.01Å; S68-E103 PolarHBondContact OG-OE2 2.93Å
69S98.3Very high97.6Very high8 Ų864.7 Ų64.76%0.05635%0.345CS..EExtended strand (participates in β ladder)trans-123.4154.7-175.858.70000111.9D30 R33 P67 K101D30-S69 VanDerWaalsContact CG-O 3.23Å; D30-S69 WeakPolarHBondContact OD1-CB 3.32Å; D30-S69 PolarHBondContact OD1-OG 3.2Å; R33-S69 PolarHBondContact NH2-OG 3.01Å; P67-S69 PolarHBondContact O-N 3.08Å; S69-K101 CarbonylContact C-O 3.49Å; S69-K101 WeakPolarHBondContact CA-O 3.35Å
70E98.5Very high97.5Very high115 Ų11567 Ų6754%0.53736%0.359SS..EExtended strand (participates in β ladder)trans-130.5104.6164.9-67175.417500107.7V100 K101E70-V100 WeakPolarHBondContact O-CA 3.43Å; E70-K101 HydrophobicContact CB-CB 4.49Å; E70-K101 PolarHBondContact N-O 3.31Å; E70-K101 PolarHBondContact O-N 2.89Å
71F98.6Very high97.5Very high21 Ų2168 Ų689%0.09236%0.362CS..EExtended strand (participates in β ladder)trans-91.4138.8176.8-80.6-101000111.1Y26 V29 D30 W48 V100 F102 F110 F136Y26-F71 HydrophobicContact CD1-CB 3.6Å; Y26-F71 AromaticContact CD1-CD1 3.45Å; Y26-F71 HydrophobicContact CD1-CD1 3.45Å; Y26-F71 VanDerWaalsContact CD1-CD1 3.45Å; Y26-F71 HydrophobicContact CD1-CD2 4.1Å; Y26-F71 HydrophobicContact CD1-CE1 4.06Å; Y26-F71 AromaticContact CD1-CG 3.46Å; Y26-F71 HydrophobicContact CD1-CG 3.46Å; Y26-F71 VanDerWaalsContact CD1-CG 3.46Å; Y26-F71 HydrophobicContact CE1-CB 4.29Å; Y26-F71 AromaticContact CE1-CD1 3.3Å; Y26-F71 HydrophobicContact CE1-CD1 3.3Å; Y26-F71 AromaticContact CE1-CE1 3.61Å; Y26-F71 HydrophobicContact CE1-CE1 3.61Å; Y26-F71 AromaticContact CE1-CG 3.85Å; Y26-F71 HydrophobicContact CE1-CG 3.85Å; Y26-F71 HydrophobicContact CE1-CZ 4.4Å; Y26-F71 HydrophobicContact CG-CB 4.21Å; Y26-F71 HydrophobicContact CG-CG 4.5Å; V29-F71 HydrophobicContact CG1-CD2 4.09Å; V29-F71 HydrophobicContact CG1-CE2 3.64Å; V29-F71 HydrophobicContact CG1-CZ 4.48Å; D30-F71 VanDerWaalsContact OD1-CD2 3.32Å; D30-F71 WeakPolarHBondContact OD1-CD2 3.28Å; D30-F71 PolarHBondContact OD2-N 2.8Å; W48-F71 HydrophobicContact CH2-CZ 4.41Å; F71-V100 HydrophobicContact CD1-CB 3.74Å; F71-V100 HydrophobicContact CD1-CG2 3.87Å; F71-V100 HydrophobicContact CD2-CB 4.33Å; F71-V100 HydrophobicContact CD2-CG2 3.56Å; F71-V100 HydrophobicContact CE1-CB 3.74Å; F71-V100 HydrophobicContact CE1-CG1 4.27Å; F71-V100 HydrophobicContact CE1-CG2 3.75Å; F71-V100 HydrophobicContact CE2-CB 4.33Å; F71-V100 HydrophobicContact CE2-CG2 3.43Å; F71-V100 VanDerWaalsContact CE2-CG2 3.43Å; F71-V100 HydrophobicContact CG-CB 4.07Å; F71-V100 HydrophobicContact CG-CG2 3.8Å; F71-V100 HydrophobicContact CZ-CB 4.06Å; F71-V100 HydrophobicContact CZ-CG2 3.54Å; F71-F102 HydrophobicContact CE2-CZ 4.22Å; F71-F102 HydrophobicContact CZ-CZ 4.12Å; F71-F110 HydrophobicContact CD1-CD1 4.2Å; F71-F110 AromaticContact CD1-CE1 3.56Å; F71-F110 HydrophobicContact CD1-CE1 3.56Å; F71-F110 HydrophobicContact CD1-CE2 4.32Å; F71-F110 AromaticContact CD1-CZ 3.63Å; F71-F110 HydrophobicContact CD1-CZ 3.63Å; F71-F110 HydrophobicContact CE1-CD1 4.24Å; F71-F110 HydrophobicContact CE1-CD2 4.44Å; F71-F110 AromaticContact CE1-CE1 3.98Å; F71-F110 HydrophobicContact CE1-CE1 3.98Å; F71-F110 HydrophobicContact CE1-CE2 4.21Å; F71-F110 HydrophobicContact CE1-CG 4.47Å; F71-F110 AromaticContact CE1-CZ 3.97Å; F71-F110 HydrophobicContact CE1-CZ 3.97Å; F71-F136 AromaticContact CE1-CE2 3.87Å; F71-F136 HydrophobicContact CE1-CE2 3.87Å; F71-F136 HydrophobicContact CZ-CE2 4.18Å
72Q98.5Very high97.2Very high109 Ų10966.7 Ų66.751%0.50936%0.356SS..EExtended strand (participates in β ladder)trans-127.2103.2166.7-51.8179.810.900108.5G98 I99Q72-G98 WeakPolarHBondContact O-CA 3.2Å; Q72-I99 HydrophobicContact CB-CD1 4.17Å; Q72-I99 HydrophobicContact CB-CG1 3.72Å; Q72-I99 HydrophobicContact CG-CD1 4.37Å; Q72-I99 HydrophobicContact CG-CG1 4.26Å; Q72-I99 PolarHBondContact N-O 3.47Å; Q72-I99 PolarHBondContact O-N 2.89Å
73V98.6Very high96.9Very high54 Ų5471.1 Ų71.133%0.32738%0.377SS..EExtended strand (participates in β ladder)trans-74.7128.1176.1-175.80000108.7V22 Y26 T75 T96V22-V73 HydrophobicContact CG1-CB 4.44Å; V22-V73 HydrophobicContact CG1-CG1 4.18Å; V22-V73 HydrophobicContact CG1-CG2 4.06Å; Y26-V73 HydrophobicContact CD1-CG2 4.44Å; Y26-V73 HydrophobicContact CD2-CG2 3.34Å; Y26-V73 HydrophobicContact CE1-CG2 4.44Å; Y26-V73 HydrophobicContact CE2-CG2 3.35Å; Y26-V73 HydrophobicContact CG-CG2 3.92Å; V73-T75 WeakPolarHBondContact CG1-O 3.44Å; V73-T96 HydrophobicContact CG1-CG2 4.3Å
74Q98.5Very high96.6Very high118 Ų11878.7 Ų78.755%0.55141%0.412SS*.EExtended strand (participates in β ladder)trans-111.5-29.7-178.5-65.3179.1-29.100111.8G97Q74-G97 PolarHBondContact N-O 2.88Å
75T98.6Very high96.5Very high85 Ų8575.8 Ų75.852%0.52141%0.412SS..EExtended strand (participates in β ladder)trans-132.5143.5178.361.30000110.6V73 T96 G97V73-T75 WeakPolarHBondContact CG1-O 3.44Å; T75-T96 VanDerWaalsContact O-CA 3.31Å; T75-T96 WeakPolarHBondContact O-CA 3.33Å; T75-G97 PolarHBondContact N-O 2.91Å; T75-G97 PolarHBondContact O-N 3.38Å; T75-G97 VanDerWaalsContact O-N 3.08Å; T75-G97 WeakPolarHBondContact OG1-CA 3.31Å; T75-G97 PolarHBondContact OG1-N 3.19Å; T75-G97 PolarHBondContact OG1-O 2.83Å
76L98.6Very high96.4Very high66 Ų6672.7 Ų72.735%0.34639%0.39SS..EExtended strand (participates in β ladder)trans-139.9130.2175.817056.6000107.7A18 E19 V22 V94 V95 T96A18-L76 HydrophobicContact CB-CD1 4.33Å; E19-L76 HydrophobicContact CB-CD2 4.36Å; E19-L76 HydrophobicContact CG-CD2 3.73Å; V22-L76 HydrophobicContact CG2-CD1 3.77Å; V22-L76 HydrophobicContact CG2-CD2 4.3Å; L76-V94 HydrophobicContact CD1-CG1 3.61Å; L76-V95 WeakPolarHBondContact CA-O 3.38Å; L76-T96 HydrophobicContact CD1-CG2 3.99Å
77D98.6Very high96.2Very high87 Ų8780.3 Ų80.347%0.46542%0.424SS..EExtended strand (participates in β ladder)trans-135.2154.6167.1-174.329.4000109.3V95D77-V95 PolarHBondContact N-O 2.94Å; D77-V95 PolarHBondContact O-N 3.5Å
78C98.3Very high95.8Very high18 Ų1880.3 Ų80.312%0.12243%0.434CS..EExtended strand (participates in β ladder)trans-150.8151.5176.276.60000112.8A18 L92 L93 V94A18-C78 HydrophobicContact CB-CB 3.58Å; C78-L92 HydrophobicContact CB-CD1 3.91Å; C78-L92 HydrophobicContact CB-CG 4.46Å; C78-L93 CarbonylContact C-O 3.56Å; C78-L93 WeakPolarHBondContact CA-O 3.43Å; C78-L93 WeakPolarHBondContact CB-O 3.44Å; C78-V94 HydrophobicContact CB-CG2 4.31Å
79Q97.3Very high95.5Very high105 Ų10582.5 Ų82.549%0.49144%0.438SS..EExtended strand (participates in β ladder)trans-142.4126.5-177.2-61179.14.800110.5V81 L92 L93Q79-V81 PolarHBondContact O-N 2.95Å; Q79-L92 WeakPolarHBondContact O-CD1 3.39Å; Q79-L93 HydrophobicContact CB-CB 4.48Å; Q79-L93 PolarHBondContact N-O 2.69Å; Q79-L93 PolarHBondContact O-N 3.3Å
80P95.6Very high95.3Very high47 Ų4786.6 Ų86.631%0.30546%0.462SS..EExtended strand (participates in β ladder)trans-62.5132.6171.126.7-32.8000109.4F7F7-P80 HydrophobicContact CE2-CG 4.04Å; F7-P80 HydrophobicContact CZ-CG 4.34Å
81V95.6Very high95.2Very high40 Ų4081.6 Ų81.624%0.24244%0.44CS..PPolyproline II helixtrans-87.1134.3-178.8-175.90000109.3Q79 A85 T86 T91 L93 L115Q79-V81 PolarHBondContact O-N 2.95Å; V81-A85 HydrophobicContact CG1-CB 3.96Å; V81-T86 HydrophobicContact CB-CG2 4.06Å; V81-T86 HydrophobicContact CG1-CG2 3.53Å; V81-T91 HydrophobicContact CB-CG2 4.03Å; V81-T91 HydrophobicContact CG2-CG2 3.8Å; V81-T91 PolarHBondContact N-O 2.78Å; V81-L93 HydrophobicContact CG2-CB 4.07Å; V81-L115 HydrophobicContact CG2-CD2 3.92Å
82H92.3Very high95.1Very high115 Ų11580.6 Ų80.653%0.53244%0.435SS..PPolyproline II helixtrans-64.2137180-166.5-84.5000111.6Q84 A85H82-Q84 PolarHBondContact ND1-N 2.76Å; H82-Q84 PolarHBondContact O-N 3.39Å; H82-A85 WeakPolarHBondContact O-CB 3.32Å; H82-A85 PolarHBondContact O-N 3.46Å
83E90.6Very high95.1Very high129 Ų12977.5 Ų77.560%0.60342%0.422SS*.Hα-helixtrans-56-29.6-173.658.8174.5-165.900114.8A85 T86 Q87 G88E83-A85 PolarHBondContact O-N 3.43Å; E83-T86 WeakPolarHBondContact CA-OG1 3.43Å; E83-T86 CarbonylContact O-C 3.51Å; E83-T86 PolarHBondContact O-N 3.23Å; E83-T86 VanDerWaalsContact O-N 3.11Å; E83-T86 PolarHBondContact O-OG1 3.07Å; E83-Q87 PolarHBondContact O-N 3.35Å; E83-G88 PolarHBondContact O-N 3.33Å
84Q91.8Very high95.1Very high163 Ų16375 Ų7576%0.76241%0.407SS*.Hα-helixtrans-63.1-30.9176.6-71176.4400112.5H82 T86H82-Q84 PolarHBondContact ND1-N 2.76Å; H82-Q84 PolarHBondContact O-N 3.39Å; Q84-T86 VanDerWaalsContact C-N 3.31Å
85A93Very high95.2Very high79 Ų7972 Ų7265%0.65340%0.396SS*.Hα-helixtrans-79.7-16.6177.200000112.5V81 H82 E83V81-A85 HydrophobicContact CG1-CB 3.96Å; H82-A85 WeakPolarHBondContact O-CB 3.32Å; H82-A85 PolarHBondContact O-N 3.46Å; E83-A85 PolarHBondContact O-N 3.43Å
86T92.8Very high95.2Very high20 Ų2068 Ų6812%0.12337%0.372CS..Hα-helixtrans-123.28.3-168.563.40000113V81 E83 Q84 G88 Q89 T91V81-T86 HydrophobicContact CB-CG2 4.06Å; V81-T86 HydrophobicContact CG1-CG2 3.53Å; E83-T86 WeakPolarHBondContact CA-OG1 3.43Å; E83-T86 CarbonylContact O-C 3.51Å; E83-T86 PolarHBondContact O-N 3.23Å; E83-T86 VanDerWaalsContact O-N 3.11Å; E83-T86 PolarHBondContact O-OG1 3.07Å; Q84-T86 VanDerWaalsContact C-N 3.31Å; T86-G88 PolarHBondContact O-N 3.19Å; T86-Q89 VanDerWaalsContact CB-O 3.31Å; T86-Q89 WeakPolarHBondContact CB-O 3.32Å; T86-Q89 WeakPolarHBondContact O-CB 3.33Å; T86-Q89 WeakPolarHBondContact O-CG 3.13Å; T86-Q89 PolarHBondContact O-N 2.78Å; T86-Q89 PolarHBondContact OG1-N 2.74Å; T86-Q89 PolarHBondContact OG1-O 2.92Å; T86-T91 HydrophobicContact CG2-CG2 3.98Å; T86-T91 WeakPolarHBondContact CG2-OG1 3.41Å
87Q91.2Very high95.2Very high193 Ų19365 Ų6590%0.90236%0.357SS*.THydrogen-bonded Turntrans53.937.9-177.5-55.1177.43.600112.4E83E83-Q87 PolarHBondContact O-N 3.35Å
88G89.3Confident95.2Very high53 Ų5361 Ų6155%0.54634%0.336SS..THydrogen-bonded Turntrans83.92.5-179.800000115.2E83 T86E83-G88 PolarHBondContact O-N 3.33Å; T86-G88 PolarHBondContact O-N 3.19Å
89Q91.8Very high95.2Very high108 Ų10860.7 Ų60.751%0.50533%0.333SS..  trans-76.1134.4173.1-63.2-172.4-40.200111T86 T91 T117T86-Q89 VanDerWaalsContact CB-O 3.31Å; T86-Q89 WeakPolarHBondContact CB-O 3.32Å; T86-Q89 WeakPolarHBondContact O-CB 3.33Å; T86-Q89 WeakPolarHBondContact O-CG 3.13Å; T86-Q89 PolarHBondContact O-N 2.78Å; T86-Q89 PolarHBondContact OG1-N 2.74Å; T86-Q89 PolarHBondContact OG1-O 2.92Å; Q89-T91 PolarHBondContact O-N 3.06Å; Q89-T91 PolarHBondContact O-OG1 3.02Å; Q89-T117 HydrophobicContact CB-CG2 4.1Å
90T93.4Very high95.3Very high93 Ų9355.8 Ų55.857%0.57131%0.31SS*.  trans-68.8113.7172.2-53.80000109.3A118 W129T90-A118 HydrophobicContact CG2-CB 4.34Å; T90-A118 PolarHBondContact O-N 3.06Å; T90-W129 HydrophobicContact CG2-CH2 3.89Å
91T96.3Very high95.4Very high11 Ų1158.2 Ų58.27%0.06732%0.316CS..EExtended strand (participates in β ladder)trans-133.6145.5-173.2-57.70000110.8V81 T86 Q89 L115 L116V81-T91 HydrophobicContact CB-CG2 4.03Å; V81-T91 HydrophobicContact CG2-CG2 3.8Å; V81-T91 PolarHBondContact N-O 2.78Å; T86-T91 HydrophobicContact CG2-CG2 3.98Å; T86-T91 WeakPolarHBondContact CG2-OG1 3.41Å; Q89-T91 PolarHBondContact O-N 3.06Å; Q89-T91 PolarHBondContact O-OG1 3.02Å; T91-L115 HydrophobicContact CG2-CD2 3.97Å; T91-L116 CarbonylContact C-O 3.48Å; T91-L116 WeakPolarHBondContact CA-O 3.33Å; T91-L116 WeakPolarHBondContact CG2-O 3.12Å
92L97.5Very high95.5Very high0 Ų057.2 Ų57.20%031%0.308CS..EExtended strand (participates in β ladder)trans-127.8124.6-178.8178.457.1000109.3S14 A18 C78 Q79 V94 L116 W129S14-L92 WeakPolarHBondContact O-CD2 3.33Å; A18-L92 HydrophobicContact CB-CD2 4.2Å; C78-L92 HydrophobicContact CB-CD1 3.91Å; C78-L92 HydrophobicContact CB-CG 4.46Å; Q79-L92 WeakPolarHBondContact O-CD1 3.39Å; L92-V94 HydrophobicContact CD2-CG2 4.09Å; L92-V94 HydrophobicContact CG-CG2 3.88Å; L92-L116 HydrophobicContact CB-CB 4.37Å; L92-L116 PolarHBondContact N-O 3.39Å; L92-L116 PolarHBondContact O-N 3.49Å; L92-W129 HydrophobicContact CB-CE3 4.34Å; L92-W129 HydrophobicContact CB-CH2 3.94Å; L92-W129 HydrophobicContact CB-CZ3 3.61Å
93L98.6Very high95.8Very high44 Ų4457.8 Ų57.823%0.2331%0.312CS..EExtended strand (participates in β ladder)trans-81.4128.2165.7174.364.3000108C78 Q79 V81 V95 N113 F114 L115C78-L93 CarbonylContact C-O 3.56Å; C78-L93 WeakPolarHBondContact CA-O 3.43Å; C78-L93 WeakPolarHBondContact CB-O 3.44Å; Q79-L93 HydrophobicContact CB-CB 4.48Å; Q79-L93 PolarHBondContact N-O 2.69Å; Q79-L93 PolarHBondContact O-N 3.3Å; V81-L93 HydrophobicContact CG2-CB 4.07Å; L93-V95 HydrophobicContact CD1-CG2 4.3Å; L93-V95 HydrophobicContact CD2-CG2 4.42Å; L93-V95 HydrophobicContact CG-CG2 4.15Å; L93-N113 HydrophobicContact CD1-CB 4.45Å; L93-F114 WeakPolarHBondContact CA-O 3.46Å; L93-L115 HydrophobicContact CB-CD2 4.26Å; L93-L115 HydrophobicContact CD1-CD2 4.27Å
94V98.8Very high96Very high0 Ų055.8 Ų55.80%033%0.325CS..EExtended strand (participates in β ladder)trans-121.3131.6173.6-1790000108.3A18 V22 L76 C78 L92 T96 N113 F114 L116A18-V94 HydrophobicContact CB-CG1 4.38Å; A18-V94 HydrophobicContact CB-CG2 3.95Å; V22-V94 HydrophobicContact CG2-CG1 4Å; L76-V94 HydrophobicContact CD1-CG1 3.61Å; C78-V94 HydrophobicContact CB-CG2 4.31Å; L92-V94 HydrophobicContact CD2-CG2 4.09Å; L92-V94 HydrophobicContact CG-CG2 3.88Å; V94-T96 HydrophobicContact CG1-CG2 4.29Å; V94-N113 CarbonylContact O-C 3.51Å; V94-N113 WeakPolarHBondContact O-CA 3.24Å; V94-F114 HydrophobicContact CB-CB 4.38Å; V94-F114 HydrophobicContact CB-CD2 4.31Å; V94-F114 HydrophobicContact CG1-CD2 4.36Å; V94-F114 PolarHBondContact N-O 3.44Å; V94-F114 PolarHBondContact O-N 3.39Å; V94-L116 HydrophobicContact CG2-CD1 3.67Å; V94-L116 HydrophobicContact CG2-CG 4.12Å
95V98.8Very high96.2Very high56 Ų5652.4 Ų52.434%0.33931%0.313SS..EExtended strand (participates in β ladder)trans-123.6131.4177.7-173.80000108.6L76 D77 L93 N113L76-V95 WeakPolarHBondContact CA-O 3.38Å; D77-V95 PolarHBondContact N-O 2.94Å; D77-V95 PolarHBondContact O-N 3.5Å; L93-V95 HydrophobicContact CD1-CG2 4.3Å; L93-V95 HydrophobicContact CD2-CG2 4.42Å; L93-V95 HydrophobicContact CG-CG2 4.15Å; V95-N113 HydrophobicContact CG2-CB 4.13Å
96T98.8Very high96.3Very high1 Ų154.5 Ų54.51%0.00631%0.307CS..EExtended strand (participates in β ladder)trans-129.8150.4-18056.50000111V22 Y26 V73 T75 L76 V94 N111 Q112V22-T96 HydrophobicContact CG1-CG2 4.47Å; V22-T96 HydrophobicContact CG2-CG2 3.68Å; Y26-T96 HydrophobicContact CE2-CG2 4.26Å; Y26-T96 PolarHBondContact OH-OG1 2.94Å; V73-T96 HydrophobicContact CG1-CG2 4.3Å; T75-T96 VanDerWaalsContact O-CA 3.31Å; T75-T96 WeakPolarHBondContact O-CA 3.33Å; L76-T96 HydrophobicContact CD1-CG2 3.99Å; V94-T96 HydrophobicContact CG1-CG2 4.29Å; T96-N111 WeakPolarHBondContact O-CA 3.26Å; T96-Q112 PolarHBondContact N-O 3.01Å; T96-Q112 PolarHBondContact O-N 3.47Å; T96-Q112 PolarHBondContact OG1-O 3.08Å; T96-Q112 VanDerWaalsContact OG1-O 3.05Å
97G98.8Very high96.5Very high3 Ų358.6 Ų58.63%0.03133%0.325CS..EExtended strand (participates in β ladder)trans-142.4151.3171.700000110.3Q74 T75 F110Q74-G97 PolarHBondContact N-O 2.88Å; T75-G97 PolarHBondContact N-O 2.91Å; T75-G97 PolarHBondContact O-N 3.38Å; T75-G97 VanDerWaalsContact O-N 3.08Å; T75-G97 WeakPolarHBondContact OG1-CA 3.31Å; T75-G97 PolarHBondContact OG1-N 3.19Å; T75-G97 PolarHBondContact OG1-O 2.83Å; G97-F110 WeakPolarHBondContact CA-O 3.37Å
98G98.6Very high96.8Very high3 Ų351.5 Ų51.53%0.03129%0.29CS..EExtended strand (participates in β ladder)trans169.6-150.3178.800000111.9Q72 F109 F110Q72-G98 WeakPolarHBondContact O-CA 3.2Å; G98-F109 CarbonylContact O-C 3.53Å; G98-F109 VanDerWaalsContact O-CA 3.28Å; G98-F109 WeakPolarHBondContact O-CA 3.38Å; G98-F110 PolarHBondContact N-O 3.45Å; G98-F110 WeakPolarHBondContact O-CD1 3.14Å; G98-F110 PolarHBondContact O-N 3.16Å
99I98.6Very high97.3Very high12 Ų1253.9 Ų53.96%0.06229%0.285CS..EExtended strand (participates in β ladder)trans-121.4148.117955.5175.3000110.4Q72 Q107 R108 F109Q72-I99 HydrophobicContact CB-CD1 4.17Å; Q72-I99 HydrophobicContact CB-CG1 3.72Å; Q72-I99 HydrophobicContact CG-CD1 4.37Å; Q72-I99 HydrophobicContact CG-CG1 4.26Å; Q72-I99 PolarHBondContact N-O 3.47Å; Q72-I99 PolarHBondContact O-N 2.89Å; I99-Q107 HydrophobicContact CB-CG 4.05Å; I99-Q107 HydrophobicContact CD1-CG 4.4Å; I99-R108 CarbonylContact C-O 3.56Å; I99-R108 VanDerWaalsContact CA-O 3.27Å; I99-R108 WeakPolarHBondContact CA-O 3.35Å; I99-F109 HydrophobicContact CG2-CD1 3.35Å; I99-F109 HydrophobicContact CG2-CD2 4.49Å; I99-F109 HydrophobicContact CG2-CE1 3.35Å; I99-F109 HydrophobicContact CG2-CE2 4.49Å; I99-F109 HydrophobicContact CG2-CG 3.96Å; I99-F109 HydrophobicContact CG2-CZ 3.95Å
100V98.6Very high97.6Very high1 Ų148.7 Ų48.71%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-133.8140.6171.259.80000109.5E70 F71 F102 Q107 R108 F110 F136 F138E70-V100 WeakPolarHBondContact O-CA 3.43Å; F71-V100 HydrophobicContact CD1-CB 3.74Å; F71-V100 HydrophobicContact CD1-CG2 3.87Å; F71-V100 HydrophobicContact CD2-CB 4.33Å; F71-V100 HydrophobicContact CD2-CG2 3.56Å; F71-V100 HydrophobicContact CE1-CB 3.74Å; F71-V100 HydrophobicContact CE1-CG1 4.27Å; F71-V100 HydrophobicContact CE1-CG2 3.75Å; F71-V100 HydrophobicContact CE2-CB 4.33Å; F71-V100 HydrophobicContact CE2-CG2 3.43Å; F71-V100 VanDerWaalsContact CE2-CG2 3.43Å; F71-V100 HydrophobicContact CG-CB 4.07Å; F71-V100 HydrophobicContact CG-CG2 3.8Å; F71-V100 HydrophobicContact CZ-CB 4.06Å; F71-V100 HydrophobicContact CZ-CG2 3.54Å; V100-F102 HydrophobicContact CB-CE2 4.3Å; V100-F102 HydrophobicContact CG1-CD2 4.26Å; V100-F102 HydrophobicContact CG1-CE2 3.73Å; V100-F102 HydrophobicContact CG2-CD2 3.92Å; V100-F102 HydrophobicContact CG2-CE1 4.49Å; V100-F102 HydrophobicContact CG2-CE2 3.51Å; V100-F102 HydrophobicContact CG2-CZ 3.84Å; V100-Q107 WeakPolarHBondContact O-CA 3.17Å; V100-R108 PolarHBondContact N-O 2.87Å; V100-R108 PolarHBondContact O-N 2.97Å; V100-F110 HydrophobicContact CB-CD1 4.14Å; V100-F110 HydrophobicContact CG1-CB 4.41Å; V100-F110 HydrophobicContact CG1-CD1 4.05Å; V100-F110 HydrophobicContact CG1-CG 4.48Å; V100-F136 HydrophobicContact CG1-CZ 4.22Å; V100-F138 HydrophobicContact CG1-CD1 4.45Å; V100-F138 HydrophobicContact CG1-CE1 3.62Å; V100-F138 HydrophobicContact CG1-CZ 4.49Å
101K98.3Very high97.9Very high99 Ų9947.7 Ų47.743%0.4325%0.252SS..EExtended strand (participates in β ladder)trans-116.2116.7170-177.3-177175.5-168.10108.7S69 E70 Q107S69-K101 CarbonylContact C-O 3.49Å; S69-K101 WeakPolarHBondContact CA-O 3.35Å; E70-K101 HydrophobicContact CB-CB 4.49Å; E70-K101 PolarHBondContact N-O 3.31Å; E70-K101 PolarHBondContact O-N 2.89Å; K101-Q107 HydrophobicContact CB-CB 4.45Å
102F97.8Very high98Very high18 Ų1847.2 Ų47.28%0.07925%0.249CC..EExtended strand (participates in β ladder)trans-91.3144.9169.6-71.6-81.1000109.8W48 P67 S68 F71 V100 G104 N105 F138W48-F102 AromaticContact CH2-CZ 3.95Å; W48-F102 HydrophobicContact CH2-CZ 3.95Å; W48-F102 HydrophobicContact CZ2-CE2 4.26Å; W48-F102 AromaticContact CZ2-CZ 3.73Å; W48-F102 HydrophobicContact CZ2-CZ 3.73Å; P67-F102 HydrophobicContact CB-CB 4.3Å; P67-F102 HydrophobicContact CB-CD1 4.4Å; S68-F102 CarbonylContact O-C 3.53Å; S68-F102 WeakPolarHBondContact O-CA 3.31Å; F71-F102 HydrophobicContact CE2-CZ 4.22Å; F71-F102 HydrophobicContact CZ-CZ 4.12Å; V100-F102 HydrophobicContact CB-CE2 4.3Å; V100-F102 HydrophobicContact CG1-CD2 4.26Å; V100-F102 HydrophobicContact CG1-CE2 3.73Å; V100-F102 HydrophobicContact CG2-CD2 3.92Å; V100-F102 HydrophobicContact CG2-CE1 4.49Å; V100-F102 HydrophobicContact CG2-CE2 3.51Å; V100-F102 HydrophobicContact CG2-CZ 3.84Å; F102-G104 PolarHBondContact O-N 3.42Å; F102-N105 HydrophobicContact CB-CB 4.13Å; F102-N105 WeakPolarHBondContact O-CB 3.28Å; F102-N105 PolarHBondContact O-N 2.9Å; F102-F138 HydrophobicContact CD2-CZ 4.05Å; F102-F138 HydrophobicContact CE2-CE1 4.12Å; F102-F138 AromaticContact CE2-CZ 3.69Å; F102-F138 HydrophobicContact CE2-CZ 3.69Å
103E97.6Very high98.1Very high128 Ų12850.1 Ų50.160%0.59827%0.265SS*.THydrogen-bonded Turntrans-53.6133.5175.9-172.8176.1179.800110.8P67 S68 N105P67-E103 HydrophobicContact CB-CB 4.11Å; S68-E103 WeakPolarHBondContact CB-OE2 3.34Å; S68-E103 PolarHBondContact O-N 3.01Å; S68-E103 PolarHBondContact OG-OE2 2.93Å; E103-N105 PolarHBondContact O-N 3.47Å; E103-N105 PolarHBondContact O-ND2 3.46Å
104G96.5Very high98.1Very high86 Ų8648 Ų4889%0.88725%0.254SS*.THydrogen-bonded Turntrans73.21-175.800000115.8F102F102-G104 PolarHBondContact O-N 3.42Å
105N94.9Very high98.1Very high93 Ų9351 Ų5150%0.49727%0.269SS..SBendtrans-120.4158.1-176.2-67.7-89.6000112.5F102 E103F102-N105 HydrophobicContact CB-CB 4.13Å; F102-N105 WeakPolarHBondContact O-CB 3.28Å; F102-N105 PolarHBondContact O-N 2.9Å; E103-N105 PolarHBondContact O-N 3.47Å; E103-N105 PolarHBondContact O-ND2 3.46Å
106K95.4Very high98Very high123 Ų12348.4 Ų48.454%0.53525%0.253SS..  trans-66.1151.3169.868.2-177.8-179.5-176.30110.2R108 D140K106-R108 HydrophobicContact CG-CG 4.12Å; K106-D140 IonicContact NZ-OD2 3.91Å
107Q97.7Very high97.9Very high106 Ų10648.5 Ų48.550%0.49525%0.254SS..  trans-64.6139.3169.8-174.6-179.3-67.500110I99 V100 K101I99-Q107 HydrophobicContact CB-CG 4.05Å; I99-Q107 HydrophobicContact CD1-CG 4.4Å; V100-Q107 WeakPolarHBondContact O-CA 3.17Å; K101-Q107 HydrophobicContact CB-CB 4.45Å
108R97.8Very high97.8Very high44 Ų4449.5 Ų49.517%0.16626%0.262CS..EExtended strand (participates in β ladder)trans-136.4152-178.4-62.4178.171.9168.210.4111.4I99 V100 K106 F138 D140I99-R108 CarbonylContact C-O 3.56Å; I99-R108 VanDerWaalsContact CA-O 3.27Å; I99-R108 WeakPolarHBondContact CA-O 3.35Å; V100-R108 PolarHBondContact N-O 2.87Å; V100-R108 PolarHBondContact O-N 2.97Å; K106-R108 HydrophobicContact CG-CG 4.12Å; R108-F138 HydrophobicContact CB-CD1 3.73Å; R108-F138 HydrophobicContact CB-CE1 3.92Å; R108-F138 HydrophobicContact CG-CD1 4.5Å; R108-D140 IonicContact CZ-OD1 3.23Å; R108-D140 VanDerWaalsContact CZ-OD1 3.23Å; R108-D140 IonicContact NE-OD1 2.81Å; R108-D140 PolarHBondContact NE-OD1 3.04Å; R108-D140 IonicContact NE-OD2 3.68Å; R108-D140 PolarHBondContact NH2-O 2.75Å; R108-D140 IonicContact NH2-OD1 2.8Å; R108-D140 PolarHBondContact NH2-OD1 3.33Å; R108-D140 IonicContact NH2-OD2 3.83Å
109F98.4Very high97.5Very high102 Ų10252.7 Ų52.745%0.44728%0.276SS..EExtended strand (participates in β ladder)trans-79.8143.4169.6-67.9-85.6000110.7G98 I99 F138 Q139G98-F109 CarbonylContact O-C 3.53Å; G98-F109 VanDerWaalsContact O-CA 3.28Å; G98-F109 WeakPolarHBondContact O-CA 3.38Å; I99-F109 HydrophobicContact CG2-CD1 3.35Å; I99-F109 HydrophobicContact CG2-CD2 4.49Å; I99-F109 HydrophobicContact CG2-CE1 3.35Å; I99-F109 HydrophobicContact CG2-CE2 4.49Å; I99-F109 HydrophobicContact CG2-CG 3.96Å; I99-F109 HydrophobicContact CG2-CZ 3.95Å; F109-F138 WeakPolarHBondContact O-CA 3.46Å; F109-Q139 HydrophobicContact CB-CB 4.08Å; F109-Q139 VanDerWaalsContact CB-CD 3.49Å; F109-Q139 HydrophobicContact CB-CG 3.9Å; F109-Q139 PolarHBondContact O-N 3.31Å
110F98.8Very high97.1Very high0 Ų057 Ų570%031%0.313CS..EExtended strand (participates in β ladder)trans-134.6158.2177.280.3-84.6000111.6Y26 F71 G97 G98 V100 Q112 F136 R137 F138Y26-F110 HydrophobicContact CE1-CE2 4.25Å; Y26-F110 AromaticContact CE1-CZ 4Å; Y26-F110 HydrophobicContact CE1-CZ 4Å; Y26-F110 AromaticContact CZ-CZ 3.95Å; Y26-F110 VanDerWaalsContact OH-CE2 3.23Å; Y26-F110 WeakPolarHBondContact OH-CE2 3.25Å; F71-F110 HydrophobicContact CD1-CD1 4.2Å; F71-F110 AromaticContact CD1-CE1 3.56Å; F71-F110 HydrophobicContact CD1-CE1 3.56Å; F71-F110 HydrophobicContact CD1-CE2 4.32Å; F71-F110 AromaticContact CD1-CZ 3.63Å; F71-F110 HydrophobicContact CD1-CZ 3.63Å; F71-F110 HydrophobicContact CE1-CD1 4.24Å; F71-F110 HydrophobicContact CE1-CD2 4.44Å; F71-F110 AromaticContact CE1-CE1 3.98Å; F71-F110 HydrophobicContact CE1-CE1 3.98Å; F71-F110 HydrophobicContact CE1-CE2 4.21Å; F71-F110 HydrophobicContact CE1-CG 4.47Å; F71-F110 AromaticContact CE1-CZ 3.97Å; F71-F110 HydrophobicContact CE1-CZ 3.97Å; G97-F110 WeakPolarHBondContact CA-O 3.37Å; G98-F110 PolarHBondContact N-O 3.45Å; G98-F110 WeakPolarHBondContact O-CD1 3.14Å; G98-F110 PolarHBondContact O-N 3.16Å; V100-F110 HydrophobicContact CB-CD1 4.14Å; V100-F110 HydrophobicContact CG1-CB 4.41Å; V100-F110 HydrophobicContact CG1-CD1 4.05Å; V100-F110 HydrophobicContact CG1-CG 4.48Å; F110-Q112 HydrophobicContact CD2-CB 3.91Å; F110-Q112 HydrophobicContact CE2-CB 3.81Å; F110-F136 HydrophobicContact CB-CD2 4.44Å; F110-F136 HydrophobicContact CB-CE2 3.5Å; F110-F136 VanDerWaalsContact CB-CE2 3.5Å; F110-F136 HydrophobicContact CB-CZ 3.54Å; F110-F136 HydrophobicContact CD1-CE2 4.48Å; F110-F136 AromaticContact CD2-CD2 3.9Å; F110-F136 HydrophobicContact CD2-CD2 3.9Å; F110-F136 AromaticContact CD2-CE2 3.44Å; F110-F136 HydrophobicContact CD2-CE2 3.44Å; F110-F136 VanDerWaalsContact CD2-CE2 3.44Å; F110-F136 HydrophobicContact CD2-CZ 4.36Å; F110-F136 HydrophobicContact CE2-CE2 4.31Å; F110-F136 HydrophobicContact CG-CD2 4.43Å; F110-F136 AromaticContact CG-CE2 3.55Å; F110-F136 HydrophobicContact CG-CE2 3.55Å; F110-F136 HydrophobicContact CG-CZ 4.08Å; F110-R137 WeakPolarHBondContact CA-O 3.31Å; F110-F138 HydrophobicContact CB-CD1 4.41Å
111N98.8Very high96.4Very high71 Ų7158.7 Ų58.738%0.3833%0.325SS..EExtended strand (participates in β ladder)trans-124.7139.3161.3-67.8102.1000108.4T96 R137 Q139T96-N111 WeakPolarHBondContact O-CA 3.26Å; N111-R137 PolarHBondContact N-O 2.82Å; N111-R137 PolarHBondContact O-N 2.95Å; N111-Q139 VanDerWaalsContact OD1-CG 3.29Å; N111-Q139 WeakPolarHBondContact OD1-CG 3.45Å; N111-Q139 PolarHBondContact OD1-NE2 3.26Å
112Q98.9Very high95.7Very high1 Ų160 Ų601%0.00534%0.344CS..EExtended strand (participates in β ladder)trans-140.8135.8178-170.7168.813.700110.2Y25 Y26 T96 F110 F114 D134 C135 F136Y25-Q112 PolarHBondContact OH-NE2 3.12Å; Y26-Q112 PolarHBondContact OH-OE1 3.02Å; T96-Q112 PolarHBondContact N-O 3.01Å; T96-Q112 PolarHBondContact O-N 3.47Å; T96-Q112 PolarHBondContact OG1-O 3.08Å; T96-Q112 VanDerWaalsContact OG1-O 3.05Å; F110-Q112 HydrophobicContact CD2-CB 3.91Å; F110-Q112 HydrophobicContact CE2-CB 3.81Å; Q112-F114 HydrophobicContact CB-CE2 4.35Å; Q112-F114 HydrophobicContact CB-CZ 4.39Å; Q112-F114 HydrophobicContact CG-CE1 3.94Å; Q112-F114 HydrophobicContact CG-CE2 3.75Å; Q112-F114 HydrophobicContact CG-CZ 3.44Å; Q112-F114 VanDerWaalsContact CG-CZ 3.44Å; Q112-D134 VanDerWaalsContact CG-OD1 3.23Å; Q112-D134 WeakPolarHBondContact CG-OD1 3.34Å; Q112-D134 PolarHBondContact NE2-OD1 3.45Å; Q112-D134 PolarHBondContact NE2-OD2 3.06Å; Q112-C135 CarbonylContact C-O 3.52Å; Q112-C135 VanDerWaalsContact CA-O 3.25Å; Q112-C135 WeakPolarHBondContact CA-O 3.49Å; Q112-F136 HydrophobicContact CB-CD2 4.09Å; Q112-F136 HydrophobicContact CG-CB 4.14Å; Q112-F136 HydrophobicContact CG-CD2 4.2Å
113N98.8Very high95.1Very high62 Ų6266.8 Ų66.833%0.33238%0.381SS..EExtended strand (participates in β ladder)trans-127.7145.6175.262.894.3000111.1L93 V94 V95 C135L93-N113 HydrophobicContact CD1-CB 4.45Å; V94-N113 CarbonylContact O-C 3.51Å; V94-N113 WeakPolarHBondContact O-CA 3.24Å; V95-N113 HydrophobicContact CG2-CB 4.13Å; N113-C135 PolarHBondContact N-O 2.99Å; N113-C135 PolarHBondContact ND2-O 2.73Å; N113-C135 PolarHBondContact O-N 3.12Å
114F98.8Very high94.5Very high0 Ų063.3 Ų63.30%037%0.371CS..EExtended strand (participates in β ladder)trans-127.8141.4-177-50.9-89.6000109.9F21 Y25 L93 V94 Q112 L116 I131 S133 D134F21-F114 HydrophobicContact CE1-CB 4.31Å; F21-F114 HydrophobicContact CE1-CD1 4.21Å; F21-F114 AromaticContact CE1-CD2 3.73Å; F21-F114 HydrophobicContact CE1-CD2 3.73Å; F21-F114 HydrophobicContact CE1-CE1 4.44Å; F21-F114 AromaticContact CE1-CE2 3.99Å; F21-F114 HydrophobicContact CE1-CE2 3.99Å; F21-F114 AromaticContact CE1-CG 3.83Å; F21-F114 HydrophobicContact CE1-CG 3.83Å; F21-F114 HydrophobicContact CE1-CZ 4.32Å; F21-F114 HydrophobicContact CZ-CB 4.48Å; F21-F114 AromaticContact CZ-CD1 3.99Å; F21-F114 HydrophobicContact CZ-CD1 3.99Å; F21-F114 HydrophobicContact CZ-CD2 4.34Å; F21-F114 HydrophobicContact CZ-CE1 4.23Å; F21-F114 HydrophobicContact CZ-CG 4.03Å; F21-F114 HydrophobicContact CZ-CZ 4.5Å; Y25-F114 HydrophobicContact CD1-CE1 4.17Å; Y25-F114 AromaticContact CD1-CZ 3.72Å; Y25-F114 HydrophobicContact CD1-CZ 3.72Å; Y25-F114 HydrophobicContact CD2-CE1 4.39Å; Y25-F114 AromaticContact CE1-CE1 3.68Å; Y25-F114 HydrophobicContact CE1-CE1 3.68Å; Y25-F114 AromaticContact CE1-CZ 3.45Å; Y25-F114 HydrophobicContact CE1-CZ 3.45Å; Y25-F114 VanDerWaalsContact CE1-CZ 3.45Å; Y25-F114 AromaticContact CE2-CE1 3.95Å; Y25-F114 HydrophobicContact CE2-CE1 3.95Å; Y25-F114 HydrophobicContact CE2-CZ 4.47Å; Y25-F114 HydrophobicContact CG-CE1 4.49Å; Y25-F114 HydrophobicContact CG-CZ 4.33Å; Y25-F114 AromaticContact CZ-CE1 3.57Å; Y25-F114 AromaticContact CZ-CZ 3.88Å; L93-F114 WeakPolarHBondContact CA-O 3.46Å; V94-F114 HydrophobicContact CB-CB 4.38Å; V94-F114 HydrophobicContact CB-CD2 4.31Å; V94-F114 HydrophobicContact CG1-CD2 4.36Å; V94-F114 PolarHBondContact N-O 3.44Å; V94-F114 PolarHBondContact O-N 3.39Å; Q112-F114 HydrophobicContact CB-CE2 4.35Å; Q112-F114 HydrophobicContact CB-CZ 4.39Å; Q112-F114 HydrophobicContact CG-CE1 3.94Å; Q112-F114 HydrophobicContact CG-CE2 3.75Å; Q112-F114 HydrophobicContact CG-CZ 3.44Å; Q112-F114 VanDerWaalsContact CG-CZ 3.44Å; F114-L116 HydrophobicContact CB-CD2 3.9Å; F114-L116 HydrophobicContact CB-CG 4.41Å; F114-I131 HydrophobicContact CD1-CD1 4.29Å; F114-I131 HydrophobicContact CD1-CG1 4.43Å; F114-I131 HydrophobicContact CD1-CG2 4.35Å; F114-S133 CarbonylContact C-O 3.57Å; F114-S133 VanDerWaalsContact CA-O 3.3Å; F114-S133 WeakPolarHBondContact CA-O 3.16Å; F114-D134 HydrophobicContact CD1-CB 3.99Å; F114-D134 HydrophobicContact CE1-CB 4.25Å; F114-D134 VanDerWaalsContact CE1-CG 3.42Å; F114-D134 WeakPolarHBondContact CE1-OD1 3.1Å; F114-D134 WeakPolarHBondContact CE1-OD2 3.46Å
115L98.4Very high93.8Very high63 Ų6367.3 Ų67.333%0.3337%0.372SS..EExtended strand (participates in β ladder)trans-102.5111.2159.3-77.1170.2000108.3V81 T91 L93 A132 S133V81-L115 HydrophobicContact CG2-CD2 3.92Å; T91-L115 HydrophobicContact CG2-CD2 3.97Å; L93-L115 HydrophobicContact CB-CD2 4.26Å; L93-L115 HydrophobicContact CD1-CD2 4.27Å; L115-A132 PolarHBondContact O-N 3.17Å; L115-S133 PolarHBondContact N-O 3.47Å; L115-S133 PolarHBondContact O-N 3.44Å
116L98.3Very high93.2Very high0 Ų068 Ų680%037%0.372CS..EExtended strand (participates in β ladder)trans-96138.7176.8-50.1-177.5000109.6F21 T91 L92 V94 F114 W129 K130 I131F21-L116 HydrophobicContact CB-CD1 3.98Å; F21-L116 HydrophobicContact CD1-CD1 3.73Å; F21-L116 HydrophobicContact CD1-CD2 4.29Å; F21-L116 HydrophobicContact CD2-CD1 3.85Å; F21-L116 HydrophobicContact CD2-CD2 3.96Å; F21-L116 HydrophobicContact CE1-CD1 4.2Å; F21-L116 HydrophobicContact CE1-CD2 3.94Å; F21-L116 HydrophobicContact CE2-CD1 4.31Å; F21-L116 HydrophobicContact CE2-CD2 3.57Å; F21-L116 HydrophobicContact CG-CD1 3.54Å; F21-L116 HydrophobicContact CG-CD2 4.3Å; F21-L116 HydrophobicContact CZ-CD1 4.48Å; F21-L116 HydrophobicContact CZ-CD2 3.57Å; T91-L116 CarbonylContact C-O 3.48Å; T91-L116 WeakPolarHBondContact CA-O 3.33Å; T91-L116 WeakPolarHBondContact CG2-O 3.12Å; L92-L116 HydrophobicContact CB-CB 4.37Å; L92-L116 PolarHBondContact N-O 3.39Å; L92-L116 PolarHBondContact O-N 3.49Å; V94-L116 HydrophobicContact CG2-CD1 3.67Å; V94-L116 HydrophobicContact CG2-CG 4.12Å; F114-L116 HydrophobicContact CB-CD2 3.9Å; F114-L116 HydrophobicContact CB-CG 4.41Å; L116-W129 HydrophobicContact CB-CE3 3.68Å; L116-W129 HydrophobicContact CB-CZ3 4.29Å; L116-K130 CarbonylContact C-O 3.58Å; L116-K130 WeakPolarHBondContact CA-O 3.42Å; L116-I131 HydrophobicContact CD2-CB 4.42Å; L116-I131 HydrophobicContact CD2-CG1 3.73Å
117T96.9Very high92.8Very high4 Ų464.2 Ų64.23%0.02536%0.36CS..EExtended strand (participates in β ladder)trans-120.3132.6174.2-56.30000109.4Q89 K130Q89-T117 HydrophobicContact CB-CG2 4.1Å; T117-K130 PolarHBondContact N-O 3.18Å; T117-K130 PolarHBondContact O-N 3.32Å
118A95.1Very high92.5Very high23 Ų2362.6 Ų62.619%0.1936%0.357CS..EExtended strand (participates in β ladder)trans-67132.3174.400000110.1T90 P127 W129T90-A118 HydrophobicContact CG2-CB 4.34Å; T90-A118 PolarHBondContact O-N 3.06Å; A118-P127 HydrophobicContact CB-CB 3.82Å; A118-P127 HydrophobicContact CB-CG 4.25Å; A118-W129 HydrophobicContact CB-CD2 4.48Å; A118-W129 HydrophobicContact CB-CE3 4.33Å; A118-W129 HydrophobicContact CB-CH2 4.35Å; A118-W129 HydrophobicContact CB-CZ2 4.45Å; A118-W129 HydrophobicContact CB-CZ3 4.27Å
119Q93.5Very high92.4Very high70 Ų7062.2 Ų62.233%0.32736%0.356SS..EExtended strand (participates in β ladder)trans-116.1133.2173.7-60.7-65.7-76.100109.1L41 S121 P127 V128 K130L41-Q119 HydrophobicContact CD2-CG 3.93Å; Q119-S121 PolarHBondContact O-N 3.48Å; Q119-P127 WeakPolarHBondContact O-CA 3.42Å; Q119-V128 WeakPolarHBondContact CB-O 3.43Å; Q119-V128 PolarHBondContact N-O 2.95Å; Q119-V128 PolarHBondContact O-N 3.16Å; Q119-K130 HydrophobicContact CG-CB 4.22Å; Q119-K130 HydrophobicContact CG-CD 4.18Å; Q119-K130 HydrophobicContact CG-CG 4.15Å
120A88.9Confident92.4Very high103 Ų10360 Ų6085%0.85135%0.346SS*.EExtended strand (participates in β ladder)trans-61.9135.8174.300000110.1
121S85.4Confident92.4Very high37 Ų3760 Ų6026%0.25935%0.346SS..EExtended strand (participates in β ladder)trans-106.8128174.5-177.50000109.1Q119 N123Q119-S121 PolarHBondContact O-N 3.48Å; S121-N123 PolarHBondContact O-N 2.74Å; S121-N123 VanDerWaalsContact O-N 3.12Å
122P82.9Confident92.3Very high127 Ų12758 Ų5883%0.82534%0.34SS*.THydrogen-bonded Turntrans-60.3-22.8178.3-23.833.2000114
123N85.4Confident92.3Very high159 Ų15959.7 Ų59.785%0.8535%0.351SS*.THydrogen-bonded Turntrans-115.29.6-169-60.3-28.1000113.4S121S121-N123 PolarHBondContact O-N 2.74Å; S121-N123 VanDerWaalsContact O-N 3.12Å
124S84.5Confident92.3Very high55 Ų5556.7 Ų56.739%0.38534%0.335SS..EExtended strand (participates in β ladder)trans-152.4135.4-174.5171.80000111Q126S124-Q126 PolarHBondContact O-N 3.33Å; S124-Q126 WeakPolarHBondContact OG-CB 3.4Å; S124-Q126 PolarHBondContact OG-N 2.99Å; S124-Q126 PolarHBondContact OG-O 3.12Å
125D81.8Confident92.3Very high171 Ų17158.5 Ų58.591%0.91435%0.348SS*.EExtended strand (participates in β ladder)trans-69.3-15.3170.1-66.8-29.2000112.2
126Q82.7Confident92.3Very high106 Ų10655.5 Ų55.550%0.49533%0.332SS..EExtended strand (participates in β ladder)trans-90.4132.9173.6-64.2-63.3-4100110.9Y17 S124Y17-Q126 PolarHBondContact OH-OE1 3.15Å; S124-Q126 PolarHBondContact O-N 3.33Å; S124-Q126 WeakPolarHBondContact OG-CB 3.4Å; S124-Q126 PolarHBondContact OG-N 2.99Å; S124-Q126 PolarHBondContact OG-O 3.12Å
127P87.6Confident92.3Very high44 Ų4459.8 Ų59.829%0.28635%0.348SS..EExtended strand (participates in β ladder)trans-69.6154.6177.630.1-34.8000111.7A118 Q119A118-P127 HydrophobicContact CB-CB 3.82Å; A118-P127 HydrophobicContact CB-CG 4.25Å; Q119-P127 WeakPolarHBondContact O-CA 3.42Å
128V91.4Very high92.4Very high72 Ų7260.5 Ų60.544%0.43635%0.351SS..EExtended strand (participates in β ladder)trans-94.4124.1166.7177.60000108.2Q119 K130Q119-V128 WeakPolarHBondContact CB-O 3.43Å; Q119-V128 PolarHBondContact N-O 2.95Å; Q119-V128 PolarHBondContact O-N 3.16Å; V128-K130 HydrophobicContact CG1-CG 4.45Å
129W95.2Very high92.5Very high36 Ų3664.7 Ų64.714%0.13637%0.367CS..EExtended strand (participates in β ladder)trans-83.9127.9177.2-68.391.3000110.6Y17 T90 L92 L116 A118Y17-W129 AromaticContact CD1-CD1 3.84Å; Y17-W129 AromaticContact CD1-NE1 3.31Å; Y17-W129 VanDerWaalsContact CD1-NE1 3.31Å; Y17-W129 AromaticContact CD2-CE2 3.76Å; Y17-W129 AromaticContact CD2-CZ2 3.59Å; Y17-W129 HydrophobicContact CD2-CZ2 3.59Å; Y17-W129 AromaticContact CD2-NE1 3.5Å; Y17-W129 AromaticContact CE1-NE1 3.67Å; Y17-W129 AromaticContact CE2-CZ2 3.99Å; Y17-W129 HydrophobicContact CE2-CZ2 3.99Å; Y17-W129 AromaticContact CE2-NE1 3.84Å; Y17-W129 AromaticContact CG-CD1 4Å; Y17-W129 AromaticContact CG-CE2 3.82Å; Y17-W129 HydrophobicContact CG-CZ2 4.11Å; Y17-W129 AromaticContact CG-NE1 3.23Å; Y17-W129 AromaticContact CZ-NE1 3.93Å; T90-W129 HydrophobicContact CG2-CH2 3.89Å; L92-W129 HydrophobicContact CB-CE3 4.34Å; L92-W129 HydrophobicContact CB-CH2 3.94Å; L92-W129 HydrophobicContact CB-CZ3 3.61Å; L116-W129 HydrophobicContact CB-CE3 3.68Å; L116-W129 HydrophobicContact CB-CZ3 4.29Å; A118-W129 HydrophobicContact CB-CD2 4.48Å; A118-W129 HydrophobicContact CB-CE3 4.33Å; A118-W129 HydrophobicContact CB-CH2 4.35Å; A118-W129 HydrophobicContact CB-CZ2 4.45Å; A118-W129 HydrophobicContact CB-CZ3 4.27Å
130K97.5Very high92.5Very high56 Ų5663.7 Ų63.724%0.24336%0.364CS..EExtended strand (participates in β ladder)trans-125.1148.2176.5-72.4-164.1166.6-160.10112R38 L39 L41 L116 T117 Q119 V128 A132R38-K130 WeakPolarHBondContact O-CE 3.4Å; L39-K130 CarbonylContact O-C 3.49Å; L39-K130 VanDerWaalsContact O-CA 3.25Å; L39-K130 WeakPolarHBondContact O-CA 3.33Å; L41-K130 HydrophobicContact CD2-CB 3.65Å; L41-K130 HydrophobicContact CD2-CD 3.79Å; L41-K130 HydrophobicContact CD2-CG 4.33Å; L41-K130 HydrophobicContact CG-CB 3.85Å; L116-K130 CarbonylContact C-O 3.58Å; L116-K130 WeakPolarHBondContact CA-O 3.42Å; T117-K130 PolarHBondContact N-O 3.18Å; T117-K130 PolarHBondContact O-N 3.32Å; Q119-K130 HydrophobicContact CG-CB 4.22Å; Q119-K130 HydrophobicContact CG-CD 4.18Å; Q119-K130 HydrophobicContact CG-CG 4.15Å; V128-K130 HydrophobicContact CG1-CG 4.45Å; K130-A132 PolarHBondContact O-N 3.26Å
131I98.6Very high92.1Very high0 Ų065.2 Ų65.20%035%0.347CS..EExtended strand (participates in β ladder)trans-75.5118.6-179.9-56.8162.7000109F21 Y25 L39 Y40 L41 A44 F114 L116 S133 D134F21-I131 HydrophobicContact CE2-CD1 3.89Å; F21-I131 HydrophobicContact CE2-CG1 3.71Å; F21-I131 HydrophobicContact CZ-CD1 3.79Å; F21-I131 HydrophobicContact CZ-CG1 3.76Å; Y25-I131 HydrophobicContact CD2-CD1 3.73Å; Y25-I131 HydrophobicContact CE2-CD1 3.53Å; L39-I131 HydrophobicContact CB-CD1 4.18Å; L39-I131 PolarHBondContact O-N 2.93Å; Y40-I131 HydrophobicContact CD1-CB 3.74Å; Y40-I131 HydrophobicContact CD1-CD1 4.2Å; Y40-I131 HydrophobicContact CD1-CG2 3.68Å; Y40-I131 HydrophobicContact CD2-CD1 3.91Å; Y40-I131 HydrophobicContact CE1-CB 3.99Å; Y40-I131 HydrophobicContact CE1-CD1 3.89Å; Y40-I131 HydrophobicContact CE1-CG2 3.58Å; Y40-I131 HydrophobicContact CE2-CD1 3.57Å; Y40-I131 HydrophobicContact CG-CB 4.09Å; Y40-I131 HydrophobicContact CG-CD1 4.21Å; L41-I131 PolarHBondContact N-O 3.31Å; A44-I131 WeakPolarHBondContact CB-O 3.49Å; F114-I131 HydrophobicContact CD1-CD1 4.29Å; F114-I131 HydrophobicContact CD1-CG1 4.43Å; F114-I131 HydrophobicContact CD1-CG2 4.35Å; L116-I131 HydrophobicContact CD2-CB 4.42Å; L116-I131 HydrophobicContact CD2-CG1 3.73Å; I131-S133 WeakPolarHBondContact CG2-O 3.33Å; I131-D134 HydrophobicContact CG2-CB 4.07Å
132A98Very high91.9Very high30 Ų3069.4 Ų69.425%0.24837%0.367CS..EExtended strand (participates in β ladder)trans-88.9-38.2169.200000111.4L41 A44 T45 L115 K130L41-A132 HydrophobicContact CD1-CB 3.82Å; A44-A132 VanDerWaalsContact CA-O 3.29Å; A44-A132 WeakPolarHBondContact CA-O 3.38Å; T45-A132 PolarHBondContact N-O 2.91Å; L115-A132 PolarHBondContact O-N 3.17Å; K130-A132 PolarHBondContact O-N 3.26Å
133S98.5Very high91.1Very high35 Ų3569.2 Ų69.225%0.24537%0.368CS..EExtended strand (participates in β ladder)trans-142.8140.4176.3-175.70000110.5T45 F114 L115 I131T45-S133 CarbonylContact O-C 3.51Å; T45-S133 WeakPolarHBondContact O-CA 3.39Å; F114-S133 CarbonylContact C-O 3.57Å; F114-S133 VanDerWaalsContact CA-O 3.3Å; F114-S133 WeakPolarHBondContact CA-O 3.16Å; L115-S133 PolarHBondContact N-O 3.47Å; L115-S133 PolarHBondContact O-N 3.44Å; I131-S133 WeakPolarHBondContact CG2-O 3.33Å
134D98.8Very high91.4Very high0 Ų064.7 Ų64.70%034%0.344CS..EExtended strand (participates in β ladder)trans-128137.5172.1-176.61.2000109.3Y25 Y40 T45 L46 V47 Q112 F114 I131Y25-D134 PolarHBondContact OH-OD2 3.39Å; Y40-D134 HydrophobicContact CE1-CB 3.99Å; Y40-D134 PolarHBondContact OH-OD2 2.98Å; T45-D134 PolarHBondContact O-N 3.4Å; L46-D134 CarbonylContact C-O 3.57Å; L46-D134 VanDerWaalsContact CA-O 3.29Å; L46-D134 WeakPolarHBondContact CA-O 3.33Å; L46-D134 HydrophobicContact CB-CB 4.47Å; L46-D134 HydrophobicContact CD1-CB 3.77Å; L46-D134 WeakPolarHBondContact CD1-OD2 3.41Å; V47-D134 PolarHBondContact N-O 2.85Å; Q112-D134 VanDerWaalsContact CG-OD1 3.23Å; Q112-D134 WeakPolarHBondContact CG-OD1 3.34Å; Q112-D134 PolarHBondContact NE2-OD1 3.45Å; Q112-D134 PolarHBondContact NE2-OD2 3.06Å; F114-D134 HydrophobicContact CD1-CB 3.99Å; F114-D134 HydrophobicContact CE1-CB 4.25Å; F114-D134 VanDerWaalsContact CE1-CG 3.42Å; F114-D134 WeakPolarHBondContact CE1-OD1 3.1Å; F114-D134 WeakPolarHBondContact CE1-OD2 3.46Å; I131-D134 HydrophobicContact CG2-CB 4.07Å
135C98.9Very high91.7Very high38 Ų3865.2 Ų65.226%0.25734%0.342SS..EExtended strand (participates in β ladder)trans-135.8111.41731790000109.7V47 Q112 N113V47-C135 HydrophobicContact CB-CB 4.49Å; V47-C135 WeakPolarHBondContact O-CA 3.1Å; Q112-C135 CarbonylContact C-O 3.52Å; Q112-C135 VanDerWaalsContact CA-O 3.25Å; Q112-C135 WeakPolarHBondContact CA-O 3.49Å; N113-C135 PolarHBondContact N-O 2.99Å; N113-C135 PolarHBondContact ND2-O 2.73Å; N113-C135 PolarHBondContact O-N 3.12Å
136F98.8Very high92.3Very high0 Ų059.3 Ų59.30%031%0.31CS..EExtended strand (participates in β ladder)trans-108.5137178.3177.3-85.2000110.6V47 W48 N49 F71 V100 F110 Q112 F138V47-F136 PolarHBondContact O-N 3.22Å; W48-F136 HydrophobicContact CD2-CB 3.98Å; W48-F136 AromaticContact CD2-CD1 3.51Å; W48-F136 HydrophobicContact CD2-CD1 3.51Å; W48-F136 HydrophobicContact CD2-CE1 4.25Å; W48-F136 AromaticContact CD2-CG 3.89Å; W48-F136 HydrophobicContact CD2-CG 3.89Å; W48-F136 AromaticContact CE2-CD1 3.44Å; W48-F136 VanDerWaalsContact CE2-CD1 3.44Å; W48-F136 AromaticContact CE2-CE1 3.7Å; W48-F136 HydrophobicContact CE3-CB 3.43Å; W48-F136 VanDerWaalsContact CE3-CB 3.43Å; W48-F136 AromaticContact CE3-CD1 3.69Å; W48-F136 HydrophobicContact CE3-CD1 3.69Å; W48-F136 HydrophobicContact CE3-CD2 4.31Å; W48-F136 AromaticContact CE3-CG 3.54Å; W48-F136 HydrophobicContact CE3-CG 3.54Å; W48-F136 HydrophobicContact CG-CD1 4.19Å; W48-F136 HydrophobicContact CH2-CB 4.48Å; W48-F136 AromaticContact CH2-CD1 3.73Å; W48-F136 HydrophobicContact CH2-CD1 3.73Å; W48-F136 AromaticContact CH2-CD2 3.83Å; W48-F136 HydrophobicContact CH2-CD2 3.83Å; W48-F136 AromaticContact CH2-CE1 3.84Å; W48-F136 HydrophobicContact CH2-CE1 3.84Å; W48-F136 AromaticContact CH2-CE2 3.93Å; W48-F136 HydrophobicContact CH2-CE2 3.93Å; W48-F136 AromaticContact CH2-CG 3.73Å; W48-F136 HydrophobicContact CH2-CG 3.73Å; W48-F136 AromaticContact CH2-CZ 3.94Å; W48-F136 HydrophobicContact CH2-CZ 3.94Å; W48-F136 AromaticContact CZ2-CD1 3.57Å; W48-F136 HydrophobicContact CZ2-CD1 3.57Å; W48-F136 HydrophobicContact CZ2-CD2 4.45Å; W48-F136 AromaticContact CZ2-CE1 3.48Å; W48-F136 HydrophobicContact CZ2-CE1 3.48Å; W48-F136 VanDerWaalsContact CZ2-CE1 3.48Å; W48-F136 HydrophobicContact CZ2-CE2 4.37Å; W48-F136 HydrophobicContact CZ2-CG 4.08Å; W48-F136 AromaticContact CZ2-CZ 3.91Å; W48-F136 HydrophobicContact CZ2-CZ 3.91Å; W48-F136 HydrophobicContact CZ3-CB 3.71Å; W48-F136 AromaticContact CZ3-CD1 3.79Å; W48-F136 HydrophobicContact CZ3-CD1 3.79Å; W48-F136 AromaticContact CZ3-CD2 3.75Å; W48-F136 HydrophobicContact CZ3-CD2 3.75Å; W48-F136 HydrophobicContact CZ3-CE1 4.37Å; W48-F136 HydrophobicContact CZ3-CE2 4.33Å; W48-F136 AromaticContact CZ3-CG 3.45Å; W48-F136 HydrophobicContact CZ3-CG 3.45Å; W48-F136 VanDerWaalsContact CZ3-CG 3.45Å; N49-F136 PolarHBondContact N-O 2.89Å; F71-F136 AromaticContact CE1-CE2 3.87Å; F71-F136 HydrophobicContact CE1-CE2 3.87Å; F71-F136 HydrophobicContact CZ-CE2 4.18Å; V100-F136 HydrophobicContact CG1-CZ 4.22Å; F110-F136 HydrophobicContact CB-CD2 4.44Å; F110-F136 HydrophobicContact CB-CE2 3.5Å; F110-F136 VanDerWaalsContact CB-CE2 3.5Å; F110-F136 HydrophobicContact CB-CZ 3.54Å; F110-F136 HydrophobicContact CD1-CE2 4.48Å; F110-F136 AromaticContact CD2-CD2 3.9Å; F110-F136 HydrophobicContact CD2-CD2 3.9Å; F110-F136 AromaticContact CD2-CE2 3.44Å; F110-F136 HydrophobicContact CD2-CE2 3.44Å; F110-F136 VanDerWaalsContact CD2-CE2 3.44Å; F110-F136 HydrophobicContact CD2-CZ 4.36Å; F110-F136 HydrophobicContact CE2-CE2 4.31Å; F110-F136 HydrophobicContact CG-CD2 4.43Å; F110-F136 AromaticContact CG-CE2 3.55Å; F110-F136 HydrophobicContact CG-CE2 3.55Å; F110-F136 HydrophobicContact CG-CZ 4.08Å; Q112-F136 HydrophobicContact CB-CD2 4.09Å; Q112-F136 HydrophobicContact CG-CB 4.14Å; Q112-F136 HydrophobicContact CG-CD2 4.2Å; F136-F138 HydrophobicContact CE1-CD1 4.02Å; F136-F138 HydrophobicContact CE1-CD2 4.13Å; F136-F138 AromaticContact CE1-CE1 3.87Å; F136-F138 HydrophobicContact CE1-CE1 3.87Å; F136-F138 AromaticContact CE1-CE2 3.98Å; F136-F138 HydrophobicContact CE1-CE2 3.98Å; F136-F138 HydrophobicContact CE1-CG 4.15Å; F136-F138 AromaticContact CE1-CZ 3.85Å; F136-F138 HydrophobicContact CE1-CZ 3.85Å; F136-F138 AromaticContact CZ-CD1 3.96Å; F136-F138 HydrophobicContact CZ-CD1 3.96Å; F136-F138 AromaticContact CZ-CE1 3.68Å; F136-F138 HydrophobicContact CZ-CE1 3.68Å; F136-F138 HydrophobicContact CZ-CZ 4.01Å
137R98.6Very high92.8Very high89 Ų8956.6 Ų56.634%0.33630%0.3SS..EExtended strand (participates in β ladder)trans-147.7135.3173.2-178.3167.2-71.2-88.50.2111.9N49 F110 N111N49-R137 WeakPolarHBondContact OD1-CA 3.45Å; F110-R137 WeakPolarHBondContact CA-O 3.31Å; N111-R137 PolarHBondContact N-O 2.82Å; N111-R137 PolarHBondContact O-N 2.95Å
138F98.4Very high93.2Very high20 Ų2057.4 Ų57.49%0.08830%0.3CS..EExtended strand (participates in β ladder)trans-70139.4165.1-67.3-61.8000110.6N49 V100 F102 R108 F109 F110 F136 D140 W141N49-F138 VanDerWaalsContact ND2-CD2 3.34Å; N49-F138 WeakPolarHBondContact ND2-CD2 3.36Å; N49-F138 WeakPolarHBondContact ND2-CE2 3.14Å; N49-F138 WeakPolarHBondContact OD1-CD2 3.46Å; N49-F138 PolarHBondContact OD1-N 2.81Å; V100-F138 HydrophobicContact CG1-CD1 4.45Å; V100-F138 HydrophobicContact CG1-CE1 3.62Å; V100-F138 HydrophobicContact CG1-CZ 4.49Å; F102-F138 HydrophobicContact CD2-CZ 4.05Å; F102-F138 HydrophobicContact CE2-CE1 4.12Å; F102-F138 AromaticContact CE2-CZ 3.69Å; F102-F138 HydrophobicContact CE2-CZ 3.69Å; R108-F138 HydrophobicContact CB-CD1 3.73Å; R108-F138 HydrophobicContact CB-CE1 3.92Å; R108-F138 HydrophobicContact CG-CD1 4.5Å; F109-F138 WeakPolarHBondContact O-CA 3.46Å; F110-F138 HydrophobicContact CB-CD1 4.41Å; F136-F138 HydrophobicContact CE1-CD1 4.02Å; F136-F138 HydrophobicContact CE1-CD2 4.13Å; F136-F138 AromaticContact CE1-CE1 3.87Å; F136-F138 HydrophobicContact CE1-CE1 3.87Å; F136-F138 AromaticContact CE1-CE2 3.98Å; F136-F138 HydrophobicContact CE1-CE2 3.98Å; F136-F138 HydrophobicContact CE1-CG 4.15Å; F136-F138 AromaticContact CE1-CZ 3.85Å; F136-F138 HydrophobicContact CE1-CZ 3.85Å; F136-F138 AromaticContact CZ-CD1 3.96Å; F136-F138 HydrophobicContact CZ-CD1 3.96Å; F136-F138 AromaticContact CZ-CE1 3.68Å; F136-F138 HydrophobicContact CZ-CE1 3.68Å; F136-F138 HydrophobicContact CZ-CZ 4.01Å; F138-D140 PolarHBondContact O-N 2.81Å; F138-W141 HydrophobicContact CB-CB 4.22Å; F138-W141 PolarHBondContact O-N 3.13Å
139Q97.3Very high93.3Very high111 Ų11156.4 Ų56.452%0.51929%0.291SS..THydrogen-bonded Turntrans-64.5-34.5177.5-68.2-174-0.200111.9F109 N111F109-Q139 HydrophobicContact CB-CB 4.08Å; F109-Q139 VanDerWaalsContact CB-CD 3.49Å; F109-Q139 HydrophobicContact CB-CG 3.9Å; F109-Q139 PolarHBondContact O-N 3.31Å; N111-Q139 VanDerWaalsContact OD1-CG 3.29Å; N111-Q139 WeakPolarHBondContact OD1-CG 3.45Å; N111-Q139 PolarHBondContact OD1-NE2 3.26Å
140D92.8Very high93.1Very high49 Ų4957.9 Ų57.926%0.26230%0.302SS..THydrogen-bonded Turntrans-103.634.8179.868-22.8000112.3K106 R108 F138 N142 S143K106-D140 IonicContact NZ-OD2 3.91Å; R108-D140 IonicContact CZ-OD1 3.23Å; R108-D140 VanDerWaalsContact CZ-OD1 3.23Å; R108-D140 IonicContact NE-OD1 2.81Å; R108-D140 PolarHBondContact NE-OD1 3.04Å; R108-D140 IonicContact NE-OD2 3.68Å; R108-D140 PolarHBondContact NH2-O 2.75Å; R108-D140 IonicContact NH2-OD1 2.8Å; R108-D140 PolarHBondContact NH2-OD1 3.33Å; R108-D140 IonicContact NH2-OD2 3.83Å; F138-D140 PolarHBondContact O-N 2.81Å; D140-N142 PolarHBondContact O-N 3.24Å; D140-S143 WeakPolarHBondContact O-CB 3.4Å; D140-S143 PolarHBondContact O-N 3.21Å
141W81.8Confident92.8Very high134 Ų13458 Ų5851%0.50831%0.307SS..THydrogen-bonded Turntrans-54.5-24.7-169.480.3-81.8000115.8F138 S143F138-W141 HydrophobicContact CB-CB 4.22Å; F138-W141 PolarHBondContact O-N 3.13Å; W141-S143 VanDerWaalsContact C-N 3.35Å
142N79.9Confident92.3Very high125 Ų12562.8 Ų62.867%0.66833%0.332SS*.THydrogen-bonded Turntrans-84.3-2.9179.1-79.3-18.3000114.8D140D140-N142 PolarHBondContact O-N 3.24Å
143S66.3Low91.8Very high123 Ų12365.8 Ų65.886%0.8634%0.34SS*.  trans-111.40-170.4-55.30000113.8D140 W141D140-S143 WeakPolarHBondContact O-CB 3.4Å; D140-S143 PolarHBondContact O-N 3.21Å; W141-S143 VanDerWaalsContact C-N 3.35Å

Retrieved 143 of 143 residues in 197.4 ms (Link to these results)

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