A0A672VDL6_STRHB Loading...

Transcription initiation factor IIA subunit 2

TFIIA is a component of the transcription machinery of RNA polymerase II and plays an important role in transcriptional activation. TFIIA in a complex with TBP mediates transcriptional activity.

AlphaFold DB , UniProt , Accession A0A672VDL6, Species STRHB (Strigops habroptila, Kakapo), Gene GTF2A2, Length 109 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M62.9Low92.7Very high223 Ų22391.9 Ų91.9100%1.09947%0.474SS*.  0137.50-164.5158.3-174.400107.9
2A84.5Confident93.2Very high32 Ų3284.3 Ų84.326%0.26443%0.434SS..  trans-96.9134.8-178.600000110.3D41 K42 N45A2-D41 HydrophobicContact CB-CB 3.88Å; A2-K42 HydrophobicContact CB-CG 4.28Å; A2-N45 HydrophobicContact CB-CB 4.49Å
3Y91Very high93.6Very high65 Ų6581.8 Ų81.826%0.25542%0.422SS..  trans-74.9133.7179-69.3-63.6000111.4L5 N45 C98 D99 T103Y3-L5 VanDerWaalsContact C-N 3.26Å; Y3-N45 PolarHBondContact N-ND2 3.35Å; Y3-N45 PolarHBondContact O-ND2 3.35Å; Y3-C98 HydrophobicContact CD1-CB 3.79Å; Y3-C98 HydrophobicContact CD2-CB 4.13Å; Y3-C98 HydrophobicContact CE1-CB 3.67Å; Y3-C98 HydrophobicContact CE2-CB 3.97Å; Y3-C98 HydrophobicContact CG-CB 4.04Å; Y3-D99 WeakPolarHBondContact CE2-O 3.23Å; Y3-D99 VanDerWaalsContact CZ-O 3.29Å; Y3-D99 PolarHBondContact OH-O 3.17Å; Y3-T103 HydrophobicContact CE2-CG2 4.33Å
4Q95.6Very high94Very high114 Ų11479.5 Ų79.553%0.53342%0.417SS..G310 helixtrans-81.4-5.4175.5-59.8-178.91400112.9Y6 R7Q4-Y6 PolarHBondContact O-N 3.21Å; Q4-Y6 VanDerWaalsContact O-N 3.1Å; Q4-R7 WeakPolarHBondContact O-CB 3.42Å; Q4-R7 WeakPolarHBondContact O-CG 3.49Å; Q4-R7 PolarHBondContact O-N 3.26Å
5L96.2Very high94.3Very high62 Ų6277.1 Ų77.133%0.32541%0.405SS..G310 helixtrans-51.6-37.1-178.2178.463.7000112.4Y3 R7 N8 V96Y3-L5 VanDerWaalsContact C-N 3.26Å; L5-R7 PolarHBondContact O-N 3.44Å; L5-N8 PolarHBondContact O-N 2.84Å; L5-V96 HydrophobicContact CD1-CB 4.17Å; L5-V96 HydrophobicContact CD1-CG1 3.65Å; L5-V96 HydrophobicContact CD2-CB 4.49Å; L5-V96 HydrophobicContact CD2-CG1 4.18Å
6Y98Very high94.6Very high73 Ų7375.9 Ų75.929%0.28640%0.396SS..G310 helixtrans-71.2-8.3-177.6-60.2-63.5000114.4Q4 N8 T9 I44 L48Q4-Y6 PolarHBondContact O-N 3.21Å; Q4-Y6 VanDerWaalsContact O-N 3.1Å; Y6-N8 VanDerWaalsContact C-N 3.26Å; Y6-N8 PolarHBondContact O-N 3.23Å; Y6-T9 HydrophobicContact CD1-CG2 4.29Å; Y6-T9 WeakPolarHBondContact O-CB 3.43Å; Y6-T9 WeakPolarHBondContact O-CG2 3.43Å; Y6-T9 PolarHBondContact O-N 2.97Å; Y6-T9 PolarHBondContact O-OG1 3.47Å; Y6-I44 HydrophobicContact CD2-CG1 4.48Å; Y6-I44 HydrophobicContact CD2-CG2 3.83Å; Y6-I44 HydrophobicContact CG-CG1 4.23Å; Y6-I44 HydrophobicContact CG-CG2 4.08Å; Y6-L48 HydrophobicContact CD1-CD1 4.15Å; Y6-L48 HydrophobicContact CD2-CD1 4.5Å; Y6-L48 HydrophobicContact CE1-CD1 3.63Å; Y6-L48 HydrophobicContact CE2-CD1 4.02Å
7R98.3Very high94.8Very high28 Ų2878.8 Ų78.811%0.10641%0.407CS..G310 helixtrans-64.4-32.1172.5-64.5-177.1-173.4-165.61.9112Q4 L5 T9 G12 N13 Q16 L37 F40 D41Q4-R7 WeakPolarHBondContact O-CB 3.42Å; Q4-R7 WeakPolarHBondContact O-CG 3.49Å; Q4-R7 PolarHBondContact O-N 3.26Å; L5-R7 PolarHBondContact O-N 3.44Å; R7-T9 PolarHBondContact O-N 3.37Å; R7-G12 CarbonylContact O-C 3.59Å; R7-G12 WeakPolarHBondContact O-CA 3.29Å; R7-N13 PolarHBondContact O-N 2.85Å; R7-N13 VanDerWaalsContact O-N 3.14Å; R7-N13 PolarHBondContact O-OD1 3.23Å; R7-N13 VanDerWaalsContact O-OD1 3.13Å; R7-Q16 PolarHBondContact O-NE2 3.4Å; R7-L37 VanDerWaalsContact CZ-CB 3.46Å; R7-F40 HydrophobicContact CG-CD1 4.18Å; R7-F40 HydrophobicContact CG-CE1 4.14Å; R7-D41 WeakPolarHBondContact CG-OD1 3.43Å; R7-D41 IonicContact CZ-OD1 3.74Å; R7-D41 IonicContact CZ-OD2 3.38Å; R7-D41 IonicContact NE-OD1 2.87Å; R7-D41 PolarHBondContact NE-OD1 3.01Å; R7-D41 IonicContact NE-OD2 3.3Å; R7-D41 PolarHBondContact NE-OD2 3.4Å; R7-D41 IonicContact NH2-OD1 3.75Å; R7-D41 IonicContact NH2-OD2 2.67Å; R7-D41 PolarHBondContact NH2-OD2 2.93Å
8N98.1Very high95.1Very high132 Ų13277.8 Ų77.871%0.70641%0.408SS*.G310 helixtrans-88.329.4177-165.833.2000113.3L5 Y6L5-N8 PolarHBondContact O-N 2.84Å; Y6-N8 VanDerWaalsContact C-N 3.26Å; Y6-N8 PolarHBondContact O-N 3.23Å
9T98.4Very high95.3Very high53 Ų5374.3 Ų74.333%0.32539%0.39SS..SBendtrans-98166.1168.362.20000108.9Y6 R7 L11 G12 N13Y6-T9 HydrophobicContact CD1-CG2 4.29Å; Y6-T9 WeakPolarHBondContact O-CB 3.43Å; Y6-T9 WeakPolarHBondContact O-CG2 3.43Å; Y6-T9 PolarHBondContact O-N 2.97Å; Y6-T9 PolarHBondContact O-OG1 3.47Å; R7-T9 PolarHBondContact O-N 3.37Å; T9-L11 PolarHBondContact O-N 3.49Å; T9-G12 PolarHBondContact O-N 3.16Å; T9-G12 VanDerWaalsContact O-N 3.12Å; T9-G12 PolarHBondContact OG1-N 2.86Å; T9-N13 WeakPolarHBondContact O-CB 3.41Å; T9-N13 PolarHBondContact O-N 2.96Å
10T98.7Very high95.4Very high128 Ų12874.7 Ų74.779%0.78539%0.392SS*.Hα-helixtrans-51.6-45.1174.3-50.40000112N13 S14T10-N13 PolarHBondContact O-N 3.27Å; T10-S14 WeakPolarHBondContact O-CB 3.24Å; T10-S14 PolarHBondContact O-N 3.02Å; T10-S14 PolarHBondContact O-OG 3.41Å; T10-S14 VanDerWaalsContact O-OG 3.12Å
11L98.6Very high95.6Very high101 Ų10177.4 Ų77.453%0.52940%0.403SS..Hα-helixtrans-64.4-45.1178.3-17963.3000112.2T9 S14 L15 F40 I44T9-L11 PolarHBondContact O-N 3.49Å; L11-S14 WeakPolarHBondContact CA-OG 3.49Å; L11-S14 PolarHBondContact O-OG 3.2Å; L11-L15 PolarHBondContact O-N 3.05Å; L11-L15 VanDerWaalsContact O-N 3.13Å; L11-F40 HydrophobicContact CD2-CE2 4.17Å; L11-F40 HydrophobicContact CG-CE2 4.14Å; L11-I44 HydrophobicContact CD2-CD1 4.34Å
12G98.6Very high97.3Very high0 Ų069.8 Ų69.80%037%0.366CS..Hα-helixtrans-67.5-37.6178.500000113.2R7 T9 L15 Q16R7-G12 CarbonylContact O-C 3.59Å; R7-G12 WeakPolarHBondContact O-CA 3.29Å; T9-G12 PolarHBondContact O-N 3.16Å; T9-G12 VanDerWaalsContact O-N 3.12Å; T9-G12 PolarHBondContact OG1-N 2.86Å; G12-L15 PolarHBondContact O-N 3.48Å; G12-Q16 WeakPolarHBondContact O-CG 3.49Å; G12-Q16 PolarHBondContact O-N 3.47Å; G12-Q16 PolarHBondContact O-NE2 3.24Å
13N98.6Very high98Very high52 Ų5270.3 Ų70.328%0.27836%0.364SS..Hα-helixtrans-67.4-46.1175.9-72.8-19000110.8R7 T9 T10 L15 Q16 E17R7-N13 PolarHBondContact O-N 2.85Å; R7-N13 VanDerWaalsContact O-N 3.14Å; R7-N13 PolarHBondContact O-OD1 3.23Å; R7-N13 VanDerWaalsContact O-OD1 3.13Å; T9-N13 WeakPolarHBondContact O-CB 3.41Å; T9-N13 PolarHBondContact O-N 2.96Å; T10-N13 PolarHBondContact O-N 3.27Å; N13-L15 PolarHBondContact O-N 2.9Å; N13-Q16 PolarHBondContact O-N 3.04Å; N13-Q16 PolarHBondContact OD1-NE2 3.14Å; N13-E17 WeakPolarHBondContact O-CG 3.45Å; N13-E17 PolarHBondContact O-N 3.43Å
14S98.8Very high98.3Very high50 Ų5074.6 Ų74.635%0.3539%0.387SS..Hα-helixtrans-59.3-35.617658.80000112.8T10 L11 S18T10-S14 WeakPolarHBondContact O-CB 3.24Å; T10-S14 PolarHBondContact O-N 3.02Å; T10-S14 PolarHBondContact O-OG 3.41Å; T10-S14 VanDerWaalsContact O-OG 3.12Å; L11-S14 WeakPolarHBondContact CA-OG 3.49Å; L11-S14 PolarHBondContact O-OG 3.2Å; S14-S18 WeakPolarHBondContact O-CB 3.49Å; S14-S18 PolarHBondContact O-N 3.38Å; S14-S18 PolarHBondContact O-OG 3.06Å
15L98.8Very high98.5Very high44 Ų4472.2 Ų72.223%0.2338%0.382CS..Hα-helixtrans-67.6-44.5174.6176.162.2000111.4L11 G12 N13 S18 L19 V36 L37 F40L11-L15 PolarHBondContact O-N 3.05Å; L11-L15 VanDerWaalsContact O-N 3.13Å; G12-L15 PolarHBondContact O-N 3.48Å; N13-L15 PolarHBondContact O-N 2.9Å; L15-S18 PolarHBondContact O-N 2.87Å; L15-L19 HydrophobicContact CD1-CD1 4.15Å; L15-L19 HydrophobicContact CD1-CG 4.2Å; L15-L19 HydrophobicContact CG-CD1 4.04Å; L15-L19 HydrophobicContact CG-CG 4.5Å; L15-L19 WeakPolarHBondContact O-CB 3.35Å; L15-L19 VanDerWaalsContact O-CG 3.24Å; L15-L19 WeakPolarHBondContact O-CG 3.5Å; L15-L19 PolarHBondContact O-N 3.23Å; L15-V36 HydrophobicContact CD1-CG1 4.29Å; L15-L37 HydrophobicContact CD2-CD2 4.03Å; L15-L37 HydrophobicContact CG-CD2 4.23Å; L15-F40 HydrophobicContact CD2-CB 3.61Å; L15-F40 HydrophobicContact CD2-CD1 4.38Å; L15-F40 HydrophobicContact CD2-CD2 3.64Å; L15-F40 HydrophobicContact CD2-CE2 4.42Å; L15-F40 HydrophobicContact CD2-CG 3.61Å
16Q98.7Very high98.5Very high58 Ų5877.9 Ų77.927%0.27141%0.408SS..Hα-helixtrans-62.7-46.7178.2-73.6172.1108.900111.4R7 G12 N13 S18 L19 D20 L37R7-Q16 PolarHBondContact O-NE2 3.4Å; G12-Q16 WeakPolarHBondContact O-CG 3.49Å; G12-Q16 PolarHBondContact O-N 3.47Å; G12-Q16 PolarHBondContact O-NE2 3.24Å; N13-Q16 PolarHBondContact O-N 3.04Å; N13-Q16 PolarHBondContact OD1-NE2 3.14Å; Q16-S18 VanDerWaalsContact C-N 3.33Å; Q16-S18 PolarHBondContact O-N 3.13Å; Q16-L19 PolarHBondContact O-N 3.41Å; Q16-L19 VanDerWaalsContact O-N 3.13Å; Q16-D20 PolarHBondContact O-N 2.94Å; Q16-L37 HydrophobicContact CG-CD1 4.12Å; Q16-L37 HydrophobicContact CG-CD2 3.65Å
17E98.8Very high98.6Very high124 Ų12481 Ų8158%0.57943%0.425SS*.Hα-helixtrans-58.1-45.1176-70.9167.8-168.500111.3N13 L19 D20 E21N13-E17 WeakPolarHBondContact O-CG 3.45Å; N13-E17 PolarHBondContact O-N 3.43Å; E17-L19 VanDerWaalsContact C-N 3.35Å; E17-L19 PolarHBondContact O-N 3.24Å; E17-D20 PolarHBondContact O-N 3.13Å; E17-E21 PolarHBondContact O-N 3.03Å
18S98.8Very high98.6Very high61 Ų6181.4 Ų81.443%0.42743%0.428SS..Hα-helixtrans-61.9-41.7175.9-57.30000112.2S14 L15 Q16 D20 E21 L22S14-S18 WeakPolarHBondContact O-CB 3.49Å; S14-S18 PolarHBondContact O-N 3.38Å; S14-S18 PolarHBondContact O-OG 3.06Å; L15-S18 PolarHBondContact O-N 2.87Å; Q16-S18 VanDerWaalsContact C-N 3.33Å; Q16-S18 PolarHBondContact O-N 3.13Å; S18-D20 VanDerWaalsContact C-N 3.34Å; S18-E21 PolarHBondContact O-N 2.95Å; S18-L22 WeakPolarHBondContact O-CG 3.35Å; S18-L22 PolarHBondContact O-N 3.37Å
19L98.8Very high98.6Very high11 Ų1179.1 Ų79.16%0.05842%0.419CS..Hα-helixtrans-66.6-38177.3-71.3170.7000111.5L15 Q16 E17 L22 I23 I28 A33 V36 L37L15-L19 HydrophobicContact CD1-CD1 4.15Å; L15-L19 HydrophobicContact CD1-CG 4.2Å; L15-L19 HydrophobicContact CG-CD1 4.04Å; L15-L19 HydrophobicContact CG-CG 4.5Å; L15-L19 WeakPolarHBondContact O-CB 3.35Å; L15-L19 VanDerWaalsContact O-CG 3.24Å; L15-L19 WeakPolarHBondContact O-CG 3.5Å; L15-L19 PolarHBondContact O-N 3.23Å; Q16-L19 PolarHBondContact O-N 3.41Å; Q16-L19 VanDerWaalsContact O-N 3.13Å; E17-L19 VanDerWaalsContact C-N 3.35Å; E17-L19 PolarHBondContact O-N 3.24Å; L19-L22 PolarHBondContact O-N 2.67Å; L19-I23 VanDerWaalsContact O-CG1 3.29Å; L19-I23 WeakPolarHBondContact O-CG1 3.46Å; L19-I23 PolarHBondContact O-N 3.04Å; L19-I28 HydrophobicContact CD2-CD1 3.76Å; L19-A33 HydrophobicContact CB-CB 4.07Å; L19-A33 HydrophobicContact CD1-CB 4.22Å; L19-A33 HydrophobicContact CD2-CB 4.23Å; L19-A33 HydrophobicContact CG-CB 4.41Å; L19-V36 HydrophobicContact CD1-CB 4.12Å; L19-V36 HydrophobicContact CD1-CG1 4.03Å; L19-V36 HydrophobicContact CD2-CB 4.17Å; L19-V36 HydrophobicContact CD2-CG1 4.13Å; L19-V36 HydrophobicContact CD2-CG2 4.29Å; L19-L37 HydrophobicContact CD1-CD2 3.84Å; L19-L37 HydrophobicContact CD1-CG 3.85Å
20D98.6Very high98.6Very high83 Ų8380.8 Ų80.844%0.44443%0.431SS..Hα-helixtrans-64.5-39.6176.8-73-23.9000111.4Q16 E17 S18 L22 I23 Q24Q16-D20 PolarHBondContact O-N 2.94Å; E17-D20 PolarHBondContact O-N 3.13Å; S18-D20 VanDerWaalsContact C-N 3.34Å; D20-L22 VanDerWaalsContact C-N 3.35Å; D20-L22 PolarHBondContact O-N 3.3Å; D20-I23 PolarHBondContact O-N 3.24Å; D20-Q24 WeakPolarHBondContact O-CB 3.39Å; D20-Q24 VanDerWaalsContact O-CG 3.23Å; D20-Q24 WeakPolarHBondContact O-CG 3.3Å; D20-Q24 PolarHBondContact O-N 3Å
21E98.8Very high98.6Very high132 Ų13280.3 Ų80.362%0.61742%0.42SS*.Hα-helixtrans-61.2-41172.8-71.6-179.6-17000112.4E17 S18 I23 Q24 S25E17-E21 PolarHBondContact O-N 3.03Å; S18-E21 PolarHBondContact O-N 2.95Å; E21-I23 VanDerWaalsContact C-N 3.33Å; E21-I23 PolarHBondContact O-N 3.13Å; E21-Q24 PolarHBondContact O-N 3.4Å; E21-S25 WeakPolarHBondContact O-CB 3.39Å; E21-S25 PolarHBondContact O-N 2.95Å; E21-S25 PolarHBondContact O-OG 3.19Å
22L98.7Very high98.6Very high62 Ų6279.6 Ų79.633%0.32542%0.416SS..Hα-helixtrans-67.7-33.1176.3-64.2175.4000112.2S18 L19 D20 S25 Q26 Q27 I28S18-L22 WeakPolarHBondContact O-CG 3.35Å; S18-L22 PolarHBondContact O-N 3.37Å; L19-L22 PolarHBondContact O-N 2.67Å; D20-L22 VanDerWaalsContact C-N 3.35Å; D20-L22 PolarHBondContact O-N 3.3Å; L22-S25 WeakPolarHBondContact CA-OG 3.48Å; L22-S25 PolarHBondContact O-OG 2.9Å; L22-Q26 PolarHBondContact O-N 3.18Å; L22-Q27 HydrophobicContact CD2-CB 4.43Å; L22-Q27 PolarHBondContact O-N 2.87Å; L22-I28 HydrophobicContact CB-CD1 3.65Å; L22-I28 HydrophobicContact CB-CG1 3.67Å; L22-I28 HydrophobicContact CB-CG2 4.39Å; L22-I28 HydrophobicContact CD1-CD1 4.09Å; L22-I28 PolarHBondContact O-N 2.97Å
23I98.6Very high98.6Very high44 Ų4479.9 Ų79.923%0.22642%0.419CS..Hα-helixtrans-70-47.3174.2-68.8164.4000110L19 D20 E21 S25 Q26 I28 P30 A33L19-I23 VanDerWaalsContact O-CG1 3.29Å; L19-I23 WeakPolarHBondContact O-CG1 3.46Å; L19-I23 PolarHBondContact O-N 3.04Å; D20-I23 PolarHBondContact O-N 3.24Å; E21-I23 VanDerWaalsContact C-N 3.33Å; E21-I23 PolarHBondContact O-N 3.13Å; I23-S25 VanDerWaalsContact C-N 3.28Å; I23-S25 PolarHBondContact O-N 3.31Å; I23-Q26 WeakPolarHBondContact O-CA 3.39Å; I23-Q26 PolarHBondContact O-N 2.74Å; I23-I28 HydrophobicContact CG1-CD1 4.2Å; I23-I28 HydrophobicContact CG1-CG1 3.79Å; I23-P30 HydrophobicContact CD1-CB 4.39Å; I23-P30 HydrophobicContact CG2-CG 4.04Å; I23-A33 HydrophobicContact CD1-CB 3.72Å; I23-A33 HydrophobicContact CG1-CB 4.36Å
24Q98.4Very high98.6Very high154 Ų15480.9 Ų80.972%0.7242%0.424SS*.Hα-helixtrans-61.4-37.2-179.8-73.1172.731.300112D20 E21 Q26D20-Q24 WeakPolarHBondContact O-CB 3.39Å; D20-Q24 VanDerWaalsContact O-CG 3.23Å; D20-Q24 WeakPolarHBondContact O-CG 3.3Å; D20-Q24 PolarHBondContact O-N 3Å; E21-Q24 PolarHBondContact O-N 3.4Å; Q24-Q26 PolarHBondContact O-N 3.02Å
25S98.5Very high98.6Very high64 Ų6483.1 Ų83.145%0.44843%0.429SS..THydrogen-bonded Turntrans-79.85.9173.659.80000114.2E21 L22 I23 Q27E21-S25 WeakPolarHBondContact O-CB 3.39Å; E21-S25 PolarHBondContact O-N 2.95Å; E21-S25 PolarHBondContact O-OG 3.19Å; L22-S25 WeakPolarHBondContact CA-OG 3.48Å; L22-S25 PolarHBondContact O-OG 2.9Å; I23-S25 VanDerWaalsContact C-N 3.28Å; I23-S25 PolarHBondContact O-N 3.31Å; S25-Q27 PolarHBondContact O-N 3.34Å; S25-Q27 VanDerWaalsContact O-N 3.16Å; S25-Q27 WeakPolarHBondContact OG-CG 3.37Å
26Q98.1Very high98.5Very high182 Ų18283.7 Ų83.785%0.8543%0.434SS*.THydrogen-bonded Turntrans57.722.7-179.7-56.3-178.4-9.100114.4L22 I23 Q24L22-Q26 PolarHBondContact O-N 3.18Å; I23-Q26 WeakPolarHBondContact O-CA 3.39Å; I23-Q26 PolarHBondContact O-N 2.74Å; Q24-Q26 PolarHBondContact O-N 3.02Å
27Q98.5Very high98.5Very high138 Ų13881.8 Ų81.865%0.64543%0.425SS*.SBendtrans-80-29.7178.5-69.4-178.3-20.400112.1L22 S25L22-Q27 HydrophobicContact CD2-CB 4.43Å; L22-Q27 PolarHBondContact O-N 2.87Å; S25-Q27 PolarHBondContact O-N 3.34Å; S25-Q27 VanDerWaalsContact O-N 3.16Å; S25-Q27 WeakPolarHBondContact OG-CG 3.37Å
28I98.7Very high98.5Very high36 Ų3678.7 Ų78.719%0.18541%0.412CS..SBendtrans-134.3159.4175.370.1177.6000111.6L19 L22 I23 L32 A33L19-I28 HydrophobicContact CD2-CD1 3.76Å; L22-I28 HydrophobicContact CB-CD1 3.65Å; L22-I28 HydrophobicContact CB-CG1 3.67Å; L22-I28 HydrophobicContact CB-CG2 4.39Å; L22-I28 HydrophobicContact CD1-CD1 4.09Å; L22-I28 PolarHBondContact O-N 2.97Å; I23-I28 HydrophobicContact CG1-CD1 4.2Å; I23-I28 HydrophobicContact CG1-CG1 3.79Å; I28-L32 HydrophobicContact CB-CD2 4.14Å; I28-L32 HydrophobicContact CG2-CD2 4.08Å; I28-A33 HydrophobicContact CD1-CB 4.03Å
29T98.6Very high98.5Very high84 Ų8481.1 Ų81.152%0.51542%0.417SS..  trans-85.6152.7172.465.60000111.1Q31 L32 A33T29-Q31 PolarHBondContact O-N 3.05Å; T29-L32 PolarHBondContact O-N 2.96Å; T29-L32 PolarHBondContact OG1-N 2.8Å; T29-A33 PolarHBondContact O-N 3.49Å; T29-A33 VanDerWaalsContact O-N 3.14Å
30P98.4Very high98.5Very high88 Ų8881.8 Ų81.857%0.57142%0.419SS*.Hα-helixtrans-55.8-34.2172.4-26.334.5000113.1I23 L32 A33 L34I23-P30 HydrophobicContact CD1-CB 4.39Å; I23-P30 HydrophobicContact CG2-CG 4.04Å; P30-L32 VanDerWaalsContact C-N 3.34Å; P30-L32 PolarHBondContact O-N 3.14Å; P30-A33 PolarHBondContact O-N 3.24Å; P30-L34 PolarHBondContact O-N 3.12Å
31Q98.3Very high98.5Very high119 Ų11978 Ų7856%0.55640%0.399SS*.Hα-helixtrans-64.8-38.1177-174.360.323.500112T29 L34 Q35T29-Q31 PolarHBondContact O-N 3.05Å; Q31-L34 PolarHBondContact O-N 3.18Å; Q31-Q35 WeakPolarHBondContact O-CG 3.27Å; Q31-Q35 PolarHBondContact O-N 3.12Å
32L98.4Very high98.4Very high86 Ų8677.8 Ų77.845%0.4540%0.396SS..Hα-helixtrans-68.7-42.6176-178.858000111.3I28 T29 P30 L34 Q35 V36I28-L32 HydrophobicContact CB-CD2 4.14Å; I28-L32 HydrophobicContact CG2-CD2 4.08Å; T29-L32 PolarHBondContact O-N 2.96Å; T29-L32 PolarHBondContact OG1-N 2.8Å; P30-L32 VanDerWaalsContact C-N 3.34Å; P30-L32 PolarHBondContact O-N 3.14Å; L32-L34 VanDerWaalsContact C-N 3.27Å; L32-L34 PolarHBondContact O-N 3.21Å; L32-Q35 WeakPolarHBondContact O-CA 3.31Å; L32-Q35 WeakPolarHBondContact O-CB 3.22Å; L32-Q35 PolarHBondContact O-N 2.94Å; L32-V36 PolarHBondContact O-N 3.2Å
33A98.6Very high98.4Very high6 Ų677.3 Ų77.35%0.0540%0.402CS..Hα-helixtrans-57.4-41174.700000112.1L19 I23 I28 T29 P30 Q35 V36 L37L19-A33 HydrophobicContact CB-CB 4.07Å; L19-A33 HydrophobicContact CD1-CB 4.22Å; L19-A33 HydrophobicContact CD2-CB 4.23Å; L19-A33 HydrophobicContact CG-CB 4.41Å; I23-A33 HydrophobicContact CD1-CB 3.72Å; I23-A33 HydrophobicContact CG1-CB 4.36Å; I28-A33 HydrophobicContact CD1-CB 4.03Å; T29-A33 PolarHBondContact O-N 3.49Å; T29-A33 VanDerWaalsContact O-N 3.14Å; P30-A33 PolarHBondContact O-N 3.24Å; A33-Q35 VanDerWaalsContact C-N 3.32Å; A33-Q35 PolarHBondContact O-N 3.42Å; A33-V36 WeakPolarHBondContact O-CB 3.46Å; A33-V36 PolarHBondContact O-N 3.13Å; A33-V36 VanDerWaalsContact O-N 3.13Å; A33-L37 WeakPolarHBondContact O-CG 3.33Å; A33-L37 PolarHBondContact O-N 2.8Å
34L98.1Very high98.3Very high73 Ų7376.7 Ų76.738%0.38240%0.398SS..Hα-helixtrans-60.5-40173.9-178.762.3000112.2P30 Q31 L32 V36 L37 L38P30-L34 PolarHBondContact O-N 3.12Å; Q31-L34 PolarHBondContact O-N 3.18Å; L32-L34 VanDerWaalsContact C-N 3.27Å; L32-L34 PolarHBondContact O-N 3.21Å; L34-V36 VanDerWaalsContact C-N 3.34Å; L34-L37 PolarHBondContact O-N 3.27Å; L34-L38 WeakPolarHBondContact O-CG 3.33Å; L34-L38 PolarHBondContact O-N 2.87Å
35Q98.5Very high98.2Very high97 Ų9770.7 Ų70.745%0.45337%0.371SS..Hα-helixtrans-63.9-38.9174.6-64.9-55.6-54.500112.1Q31 L32 A33 L38 Q39Q31-Q35 WeakPolarHBondContact O-CG 3.27Å; Q31-Q35 PolarHBondContact O-N 3.12Å; L32-Q35 WeakPolarHBondContact O-CA 3.31Å; L32-Q35 WeakPolarHBondContact O-CB 3.22Å; L32-Q35 PolarHBondContact O-N 2.94Å; A33-Q35 VanDerWaalsContact C-N 3.32Å; A33-Q35 PolarHBondContact O-N 3.42Å; Q35-L38 PolarHBondContact O-N 3.31Å; Q35-Q39 PolarHBondContact O-N 3.33Å
36V98.7Very high98Very high55 Ų5570 Ų7033%0.33337%0.366SS..Hα-helixtrans-62.1-44.3174.5177.40000110.7L15 L19 L32 A33 L34 L38 Q39 F40L15-V36 HydrophobicContact CD1-CG1 4.29Å; L19-V36 HydrophobicContact CD1-CB 4.12Å; L19-V36 HydrophobicContact CD1-CG1 4.03Å; L19-V36 HydrophobicContact CD2-CB 4.17Å; L19-V36 HydrophobicContact CD2-CG1 4.13Å; L19-V36 HydrophobicContact CD2-CG2 4.29Å; L32-V36 PolarHBondContact O-N 3.2Å; A33-V36 WeakPolarHBondContact O-CB 3.46Å; A33-V36 PolarHBondContact O-N 3.13Å; A33-V36 VanDerWaalsContact O-N 3.13Å; L34-V36 VanDerWaalsContact C-N 3.34Å; V36-L38 PolarHBondContact O-N 3.44Å; V36-Q39 CarbonylContact O-C 3.53Å; V36-Q39 WeakPolarHBondContact O-CB 3.45Å; V36-Q39 PolarHBondContact O-N 2.98Å; V36-Q39 VanDerWaalsContact O-N 3.13Å; V36-F40 PolarHBondContact O-N 3.21Å
37L98.6Very high98Very high19 Ų1962.7 Ų62.710%0.09934%0.337CS..Hα-helixtrans-64.8-38.6177.3-66.9175.5000112.7R7 L15 Q16 L19 A33 L34 Q39 F40 D41R7-L37 VanDerWaalsContact CZ-CB 3.46Å; L15-L37 HydrophobicContact CD2-CD2 4.03Å; L15-L37 HydrophobicContact CG-CD2 4.23Å; Q16-L37 HydrophobicContact CG-CD1 4.12Å; Q16-L37 HydrophobicContact CG-CD2 3.65Å; L19-L37 HydrophobicContact CD1-CD2 3.84Å; L19-L37 HydrophobicContact CD1-CG 3.85Å; A33-L37 WeakPolarHBondContact O-CG 3.33Å; A33-L37 PolarHBondContact O-N 2.8Å; L34-L37 PolarHBondContact O-N 3.27Å; L37-Q39 VanDerWaalsContact C-N 3.26Å; L37-Q39 PolarHBondContact O-N 2.85Å; L37-F40 WeakPolarHBondContact O-CB 3.41Å; L37-F40 PolarHBondContact O-N 3.23Å; L37-D41 PolarHBondContact O-N 2.67Å
38L98.3Very high97.9Very high59 Ų5959.3 Ų59.331%0.30932%0.323SS..Hα-helixtrans-62.5-35.1172.9-71.7172.2000112.1L34 Q35 V36 K42L34-L38 WeakPolarHBondContact O-CG 3.33Å; L34-L38 PolarHBondContact O-N 2.87Å; Q35-L38 PolarHBondContact O-N 3.31Å; V36-L38 PolarHBondContact O-N 3.44Å; L38-K42 PolarHBondContact O-N 2.86Å
39Q98.4Very high97.6Very high111 Ų11161 Ų6152%0.51934%0.343SS..Hα-helixtrans-73.2-38.1175.1-17257.72600111.9Q35 V36 L37 D41 K42 A43Q35-Q39 PolarHBondContact O-N 3.33Å; V36-Q39 CarbonylContact O-C 3.53Å; V36-Q39 WeakPolarHBondContact O-CB 3.45Å; V36-Q39 PolarHBondContact O-N 2.98Å; V36-Q39 VanDerWaalsContact O-N 3.13Å; L37-Q39 VanDerWaalsContact C-N 3.26Å; L37-Q39 PolarHBondContact O-N 2.85Å; Q39-D41 VanDerWaalsContact C-N 3.34Å; Q39-D41 PolarHBondContact O-N 2.87Å; Q39-K42 PolarHBondContact O-N 3.1Å; Q39-A43 WeakPolarHBondContact O-CB 3.3Å; Q39-A43 PolarHBondContact O-N 3.49Å
40F98.6Very high97.5Very high25 Ų2562.9 Ų62.911%0.1135%0.345CS..Hα-helixtrans-57.3-46.4171.8168-98.6000111.3R7 L11 L15 V36 L37 K42 A43 I44R7-F40 HydrophobicContact CG-CD1 4.18Å; R7-F40 HydrophobicContact CG-CE1 4.14Å; L11-F40 HydrophobicContact CD2-CE2 4.17Å; L11-F40 HydrophobicContact CG-CE2 4.14Å; L15-F40 HydrophobicContact CD2-CB 3.61Å; L15-F40 HydrophobicContact CD2-CD1 4.38Å; L15-F40 HydrophobicContact CD2-CD2 3.64Å; L15-F40 HydrophobicContact CD2-CE2 4.42Å; L15-F40 HydrophobicContact CD2-CG 3.61Å; V36-F40 PolarHBondContact O-N 3.21Å; L37-F40 WeakPolarHBondContact O-CB 3.41Å; L37-F40 PolarHBondContact O-N 3.23Å; F40-K42 VanDerWaalsContact C-N 3.29Å; F40-K42 PolarHBondContact O-N 3.05Å; F40-A43 PolarHBondContact O-N 3.25Å; F40-A43 VanDerWaalsContact O-N 3.09Å; F40-I44 HydrophobicContact CE1-CG2 4.15Å; F40-I44 HydrophobicContact CE2-CB 4.31Å; F40-I44 HydrophobicContact CZ-CB 4.27Å; F40-I44 HydrophobicContact CZ-CG1 4.47Å; F40-I44 HydrophobicContact CZ-CG2 4.22Å; F40-I44 WeakPolarHBondContact O-CG2 3.36Å; F40-I44 PolarHBondContact O-N 2.82Å
41D98.2Very high97.4Very high4 Ų468.4 Ų68.42%0.02136%0.355CS..Hα-helixtrans-55.4-46.2178.7-59.5-33.8000111.1A2 R7 L37 Q39 N45A2-D41 HydrophobicContact CB-CB 3.88Å; R7-D41 WeakPolarHBondContact CG-OD1 3.43Å; R7-D41 IonicContact CZ-OD1 3.74Å; R7-D41 IonicContact CZ-OD2 3.38Å; R7-D41 IonicContact NE-OD1 2.87Å; R7-D41 PolarHBondContact NE-OD1 3.01Å; R7-D41 IonicContact NE-OD2 3.3Å; R7-D41 PolarHBondContact NE-OD2 3.4Å; R7-D41 IonicContact NH2-OD1 3.75Å; R7-D41 IonicContact NH2-OD2 2.67Å; R7-D41 PolarHBondContact NH2-OD2 2.93Å; L37-D41 PolarHBondContact O-N 2.67Å; Q39-D41 VanDerWaalsContact C-N 3.34Å; Q39-D41 PolarHBondContact O-N 2.87Å; D41-N45 WeakPolarHBondContact O-CB 3.41Å; D41-N45 PolarHBondContact O-N 3.48Å; D41-N45 PolarHBondContact O-ND2 2.82Å
42K96.9Very high97.3Very high127 Ų12766 Ų6655%0.55235%0.348SS*.Hα-helixtrans-62.8-46.5177.2-65.5173.8-172.4171.40111.4A2 L38 Q39 F40 S46A2-K42 HydrophobicContact CB-CG 4.28Å; L38-K42 PolarHBondContact O-N 2.86Å; Q39-K42 PolarHBondContact O-N 3.1Å; F40-K42 VanDerWaalsContact C-N 3.29Å; F40-K42 PolarHBondContact O-N 3.05Å; K42-S46 VanDerWaalsContact O-CB 3.31Å; K42-S46 WeakPolarHBondContact O-CB 3.31Å; K42-S46 PolarHBondContact O-N 2.94Å
43A98.2Very high97.2Very high53 Ų5371.5 Ų71.544%0.43836%0.363SS..Hα-helixtrans-63.6-47.7-175.900000112.1Q39 F40 S46 A47Q39-A43 WeakPolarHBondContact O-CB 3.3Å; Q39-A43 PolarHBondContact O-N 3.49Å; F40-A43 PolarHBondContact O-N 3.25Å; F40-A43 VanDerWaalsContact O-N 3.09Å; A43-S46 PolarHBondContact O-N 3.4Å; A43-A47 VanDerWaalsContact O-CB 3.29Å; A43-A47 WeakPolarHBondContact O-CB 3.49Å; A43-A47 PolarHBondContact O-N 3.18Å
44I97.9Very high97Very high30 Ų3075.9 Ų75.915%0.15439%0.385CS..Hα-helixtrans-69.4-42.1-177.3-167.961.8000112Y6 L11 F40 S46 A47 L48Y6-I44 HydrophobicContact CD2-CG1 4.48Å; Y6-I44 HydrophobicContact CD2-CG2 3.83Å; Y6-I44 HydrophobicContact CG-CG1 4.23Å; Y6-I44 HydrophobicContact CG-CG2 4.08Å; L11-I44 HydrophobicContact CD2-CD1 4.34Å; F40-I44 HydrophobicContact CE1-CG2 4.15Å; F40-I44 HydrophobicContact CE2-CB 4.31Å; F40-I44 HydrophobicContact CZ-CB 4.27Å; F40-I44 HydrophobicContact CZ-CG1 4.47Å; F40-I44 HydrophobicContact CZ-CG2 4.22Å; F40-I44 WeakPolarHBondContact O-CG2 3.36Å; F40-I44 PolarHBondContact O-N 2.82Å; I44-S46 VanDerWaalsContact C-N 3.33Å; I44-S46 PolarHBondContact O-N 3.13Å; I44-A47 PolarHBondContact O-N 3Å; I44-L48 HydrophobicContact CD1-CD1 4.38Å; I44-L48 HydrophobicContact CD1-CG 4.26Å; I44-L48 HydrophobicContact CG1-CD1 4.07Å; I44-L48 HydrophobicContact CG1-CG 4.39Å; I44-L48 WeakPolarHBondContact O-CB 3.44Å; I44-L48 WeakPolarHBondContact O-CG 3.19Å; I44-L48 PolarHBondContact O-N 2.85Å
45N95.8Very high96.8Very high28 Ų2881.4 Ų81.415%0.1540%0.401CS..Hα-helixtrans-61.3-43176-80.6-94.4000110.9A2 Y3 D41 A49A2-N45 HydrophobicContact CB-CB 4.49Å; Y3-N45 PolarHBondContact N-ND2 3.35Å; Y3-N45 PolarHBondContact O-ND2 3.35Å; D41-N45 WeakPolarHBondContact O-CB 3.41Å; D41-N45 PolarHBondContact O-N 3.48Å; D41-N45 PolarHBondContact O-ND2 2.82Å; N45-A49 WeakPolarHBondContact O-CB 3.34Å; N45-A49 PolarHBondContact O-N 3.47Å; N45-A49 VanDerWaalsContact O-N 3.17Å
46S95.3Very high96.8Very high49 Ų4980.1 Ų80.134%0.34340%0.4SS..Hα-helixtrans-66.4-45.7177.1176.30000112.4K42 A43 I44 A49 Q50K42-S46 VanDerWaalsContact O-CB 3.31Å; K42-S46 WeakPolarHBondContact O-CB 3.31Å; K42-S46 PolarHBondContact O-N 2.94Å; A43-S46 PolarHBondContact O-N 3.4Å; I44-S46 VanDerWaalsContact C-N 3.33Å; I44-S46 PolarHBondContact O-N 3.13Å; S46-A49 PolarHBondContact O-N 2.89Å; S46-Q50 WeakPolarHBondContact O-CB 3.44Å; S46-Q50 WeakPolarHBondContact O-CG 3.49Å; S46-Q50 PolarHBondContact O-N 2.94Å; S46-Q50 PolarHBondContact OG-OE1 2.84Å
47A97.1Very high96.7Very high29 Ų2981.6 Ų81.624%0.2441%0.406CS..Hα-helixtrans-62.7-45.7-17900000112A43 I44 Q50 R51A43-A47 VanDerWaalsContact O-CB 3.29Å; A43-A47 WeakPolarHBondContact O-CB 3.49Å; A43-A47 PolarHBondContact O-N 3.18Å; I44-A47 PolarHBondContact O-N 3Å; A47-Q50 PolarHBondContact O-N 3.32Å; A47-R51 VanDerWaalsContact O-CB 3.27Å; A47-R51 WeakPolarHBondContact O-CB 3.5Å; A47-R51 PolarHBondContact O-N 2.89Å
48L96.1Very high96.7Very high67 Ų6786 Ų8635%0.35142%0.424SS..Hα-helixtrans-61.8-43.8176.8-70174.6000111.6Y6 I44 V52Y6-L48 HydrophobicContact CD1-CD1 4.15Å; Y6-L48 HydrophobicContact CD2-CD1 4.5Å; Y6-L48 HydrophobicContact CE1-CD1 3.63Å; Y6-L48 HydrophobicContact CE2-CD1 4.02Å; I44-L48 HydrophobicContact CD1-CD1 4.38Å; I44-L48 HydrophobicContact CD1-CG 4.26Å; I44-L48 HydrophobicContact CG1-CD1 4.07Å; I44-L48 HydrophobicContact CG1-CG 4.39Å; I44-L48 WeakPolarHBondContact O-CB 3.44Å; I44-L48 WeakPolarHBondContact O-CG 3.19Å; I44-L48 PolarHBondContact O-N 2.85Å; L48-V52 HydrophobicContact CD2-CG2 3.97Å; L48-V52 WeakPolarHBondContact O-CB 3.24Å
49A93.5Very high96.7Very high73 Ų7390.7 Ų90.760%0.60344%0.438SS*.Hα-helixtrans-69.2-35.8-178.700000113.7N45 S46N45-A49 WeakPolarHBondContact O-CB 3.34Å; N45-A49 PolarHBondContact O-N 3.47Å; N45-A49 VanDerWaalsContact O-N 3.17Å; S46-A49 PolarHBondContact O-N 2.89Å
50Q95.3Very high96.7Very high122 Ų12287.2 Ų87.257%0.5743%0.432SS*.Hα-helixtrans-99.2-32.8-169.8-65.5177.9-1.700113.8S46 A47 R53S46-Q50 WeakPolarHBondContact O-CB 3.44Å; S46-Q50 WeakPolarHBondContact O-CG 3.49Å; S46-Q50 PolarHBondContact O-N 2.94Å; S46-Q50 PolarHBondContact OG-OE1 2.84Å; A47-Q50 PolarHBondContact O-N 3.32Å; Q50-R53 PolarHBondContact O-NH2 2.86Å; Q50-R53 VanDerWaalsContact O-NH2 3.15Å
51R96.9Very high96.7Very high205 Ų20589.2 Ų89.277%0.77445%0.449SS*.Hα-helixtrans-104.3-26.8-169.3-53.9-177.3-179-168.8-0.6113.3A47A47-R51 VanDerWaalsContact O-CB 3.27Å; A47-R51 WeakPolarHBondContact O-CB 3.5Å; A47-R51 PolarHBondContact O-N 2.89Å
52V96.3Very high96.7Very high68 Ų6893.6 Ų93.641%0.41247%0.472SS..  trans-89.5129.2-176.7-1750000110L48 N54L48-V52 HydrophobicContact CD2-CG2 3.97Å; L48-V52 WeakPolarHBondContact O-CB 3.24Å; V52-N54 WeakPolarHBondContact CG1-OD1 3.35Å
53R95.2Very high96.8Very high202 Ų20291.4 Ų91.476%0.76247%0.466SS*.  trans-130.3-12.8-174.3-60.8-63.4-176.9-161.3-0.9114Q50Q50-R53 PolarHBondContact O-NH2 2.86Å; Q50-R53 VanDerWaalsContact O-NH2 3.15Å
54N94.8Very high96.8Very high97 Ų9791.9 Ų91.952%0.51946%0.464SS..  trans-69.5153.8-17963.6-49.5000111.1V52 E83V52-N54 WeakPolarHBondContact CG1-OD1 3.35Å; N54-E83 WeakPolarHBondContact CB-OE1 3.44Å; N54-E83 PolarHBondContact ND2-OE1 3.47Å
55R94.9Very high96.8Very high190 Ų19097.6 Ų97.672%0.71749%0.485SS*.  trans-123.1132.2-179.1179.8177.4173.4175.2-0.3109.4
56V97.3Very high97Very high70 Ų70103 Ų10342%0.42450%0.503SS..  trans-112.9139.6174.8179.90000108.8F81V56-F81 HydrophobicContact CG1-CB 4.28Å; V56-F81 HydrophobicContact CG1-CD1 4.04Å
57N97.7Very high97.1Very high86 Ų86105.6 Ų105.646%0.4651%0.508SS..EExtended strand (participates in β ladder)trans-110.5148.8167.4-60.7-72.9000108.6R82N57-R82 PolarHBondContact N-O 2.82Å; N57-R82 PolarHBondContact O-N 2.87Å
58F98.3Very high97Very high111 Ų111107.5 Ų107.549%0.48752%0.519SS..EExtended strand (participates in β ladder)trans-143.3155.4176.269.1-83.8000111.9L76 V79 E80 F81 I95F58-L76 HydrophobicContact CD2-CD2 4.48Å; F58-L76 HydrophobicContact CE2-CD2 4.1Å; F58-V79 HydrophobicContact CB-CG1 4.4Å; F58-V79 HydrophobicContact CD2-CG1 4.34Å; F58-E80 WeakPolarHBondContact CA-O 3.44Å; F58-F81 HydrophobicContact CB-CD1 3.52Å; F58-F81 HydrophobicContact CB-CE1 3.74Å; F58-F81 HydrophobicContact CB-CG 4.16Å; F58-F81 HydrophobicContact CD1-CE1 4.31Å; F58-F81 HydrophobicContact CG-CD1 4.2Å; F58-F81 AromaticContact CG-CE1 3.95Å; F58-F81 HydrophobicContact CG-CE1 3.95Å; F58-I95 HydrophobicContact CE2-CD1 3.91Å; F58-I95 HydrophobicContact CZ-CD1 3.96Å
59R98.1Very high96.9Very high158 Ų158111.2 Ų111.260%0.59654%0.539SS*.EExtended strand (participates in β ladder)trans-139.2149.2172.165.3-179.1178.8-162.110.9109.6V79 E80R59-V79 CarbonylContact O-C 3.59Å; R59-V79 WeakPolarHBondContact O-CA 3.45Å; R59-V79 WeakPolarHBondContact O-CG1 3.34Å; R59-E80 HydrophobicContact CG-CB 4.18Å; R59-E80 IonicContact CZ-OE2 3.07Å; R59-E80 PolarHBondContact N-O 2.98Å; R59-E80 IonicContact NE-OE2 2.82Å; R59-E80 PolarHBondContact NE-OE2 3.43Å; R59-E80 IonicContact NH2-OE2 2.63Å; R59-E80 PolarHBondContact NH2-OE2 3.37Å; R59-E80 PolarHBondContact O-N 3.38Å
60G98.2Very high96.8Very high37 Ų37112.9 Ų112.938%0.38154%0.538SS..EExtended strand (participates in β ladder)trans178.4177.1176.900000111.5
61S98.6Very high96.9Very high68 Ų68109 Ų10948%0.47652%0.522SS..EExtended strand (participates in β ladder)trans-91.9119.2-178.4-62.60000110.3N63 L76 N77S61-N63 PolarHBondContact O-N 2.85Å; S61-L76 CarbonylContact O-C 3.49Å; S61-L76 VanDerWaalsContact O-CA 3.24Å; S61-L76 WeakPolarHBondContact O-CA 3.41Å; S61-N77 PolarHBondContact N-O 2.94Å; S61-N77 PolarHBondContact O-N 3.06Å
62L98.8Very high96.9Very high95 Ų95104.1 Ų104.150%0.49750%0.504SS..EExtended strand (participates in β ladder)trans-66.9121.9176.2-178.263.2000110.3Y65 F74 L76L62-Y65 HydrophobicContact CD2-CD1 3.86Å; L62-F74 HydrophobicContact CD1-CB 4.3Å; L62-F74 HydrophobicContact CD1-CD1 4Å; L62-L76 HydrophobicContact CD1-CG 4.36Å
63N98.5Very high97Very high81 Ų81102 Ų10243%0.43349%0.491SS..EExtended strand (participates in β ladder)trans-93.1-55.3177.8-177.4-34.5000110.7S61 V75 N77S61-N63 PolarHBondContact O-N 2.85Å; N63-V75 WeakPolarHBondContact CA-O 3.45Å; N63-V75 HydrophobicContact CB-CG1 4.32Å; N63-V75 VanDerWaalsContact CB-O 3.27Å; N63-V75 WeakPolarHBondContact CB-O 3.43Å; N63-V75 PolarHBondContact N-O 3.23Å; N63-N77 PolarHBondContact ND2-ND2 2.55Å; N63-N77 PolarHBondContact ND2-OD1 2.88Å
64T98.7Very high97.2Very high64 Ų6495 Ų9539%0.39347%0.466SS..EExtended strand (participates in β ladder)trans-149.6155.4177.2-174.50000111V75T64-V75 HydrophobicContact CG2-CB 3.74Å; T64-V75 HydrophobicContact CG2-CG2 3.85Å; T64-V75 PolarHBondContact N-O 3.33Å; T64-V75 PolarHBondContact O-N 3.34Å
65Y98.6Very high97.4Very high150 Ų15091.6 Ų91.659%0.58845%0.449SS*.EExtended strand (participates in β ladder)trans-139.4154.7176.666.7-90.4000111.1L62 W72 T73L62-Y65 HydrophobicContact CD2-CD1 3.86Å; Y65-W72 AromaticContact CD2-CZ3 3.9Å; Y65-W72 HydrophobicContact CD2-CZ3 3.9Å; Y65-T73 CarbonylContact C-O 3.54Å; Y65-T73 VanDerWaalsContact CA-O 3.3Å; Y65-T73 WeakPolarHBondContact CA-O 3.37Å
66R98.6Very high97.6Very high142 Ų14283.3 Ų83.354%0.53642%0.419SS..EExtended strand (participates in β ladder)trans-149.1140.8173.9-173.7-172.3-56.1886.1109.7W72 T73R66-W72 WeakPolarHBondContact O-CA 3.25Å; R66-T73 PolarHBondContact N-O 2.75Å; R66-T73 PolarHBondContact O-N 3.31Å
67F97.9Very high97.6Very high103 Ų10382.2 Ų82.245%0.45241%0.411SS..EExtended strand (participates in β ladder)trans-122.8121.9167.4-178.1-116000109.1V71 W72F67-V71 WeakPolarHBondContact CA-O 3.31Å; F67-W72 HydrophobicContact CB-CD2 3.96Å; F67-W72 HydrophobicContact CB-CE3 3.92Å; F67-W72 HydrophobicContact CB-CH2 3.86Å; F67-W72 HydrophobicContact CB-CZ2 3.87Å; F67-W72 HydrophobicContact CB-CZ3 3.9Å; F67-W72 AromaticContact CD2-CD1 3.51Å; F67-W72 AromaticContact CD2-CD2 3.73Å; F67-W72 HydrophobicContact CD2-CD2 3.73Å; F67-W72 AromaticContact CD2-CE2 3.47Å; F67-W72 VanDerWaalsContact CD2-CE2 3.47Å; F67-W72 AromaticContact CD2-CG 3.76Å; F67-W72 HydrophobicContact CD2-CG 3.76Å; F67-W72 HydrophobicContact CD2-CZ2 4.08Å; F67-W72 AromaticContact CD2-NE1 3.31Å; F67-W72 VanDerWaalsContact CD2-NE1 3.31Å; F67-W72 AromaticContact CE2-CD1 3.74Å; F67-W72 HydrophobicContact CE2-CG 4.41Å; F67-W72 AromaticContact CE2-NE1 3.54Å; F67-W72 HydrophobicContact CG-CD2 4.18Å; F67-W72 AromaticContact CG-CE2 3.8Å; F67-W72 HydrophobicContact CG-CH2 4.44Å; F67-W72 AromaticContact CG-CZ2 3.94Å; F67-W72 HydrophobicContact CG-CZ2 3.94Å
68C94.9Very high97.7Very high69 Ų6983.3 Ų83.347%0.46642%0.417SS..EExtended strand (participates in β ladder)trans-152.1141.1177.5-167.30000108.2N70 V71C68-N70 VanDerWaalsContact C-N 3.27Å; C68-N70 PolarHBondContact O-N 2.89Å; C68-V71 PolarHBondContact N-O 3.44Å; C68-V71 PolarHBondContact O-N 3.09Å
69D93.5Very high97.7Very high144 Ų14478.1 Ų78.177%0.7739%0.394SS*.THydrogen-bonded Turntrans50.640.6177.8-55-36.3000114.8V71D69-V71 PolarHBondContact O-N 2.99Å
70N92.4Very high97.7Very high108 Ų10872.2 Ų72.258%0.57837%0.373SS*.THydrogen-bonded Turntrans60.221.6-176.4-58-45.9000114.7C68 D99C68-N70 VanDerWaalsContact C-N 3.27Å; C68-N70 PolarHBondContact O-N 2.89Å; N70-D99 PolarHBondContact O-N 3.3Å
71V96.1Very high97.7Very high41 Ų4173 Ų7325%0.24837%0.366CS..EExtended strand (participates in β ladder)trans-116.7124.4174.6-176.70000109.9F67 C68 D69 V96 A97F67-V71 WeakPolarHBondContact CA-O 3.31Å; C68-V71 PolarHBondContact N-O 3.44Å; C68-V71 PolarHBondContact O-N 3.09Å; D69-V71 PolarHBondContact O-N 2.99Å; V71-V96 HydrophobicContact CG1-CG1 3.61Å; V71-A97 WeakPolarHBondContact CA-O 3.37Å
72W98.1Very high97.7Very high102 Ų10276 Ų7639%0.38637%0.367SS..EExtended strand (participates in β ladder)trans-86.4135168.3-80.297.2000110.4Y65 R66 F67 F74 V96 A97Y65-W72 AromaticContact CD2-CZ3 3.9Å; Y65-W72 HydrophobicContact CD2-CZ3 3.9Å; R66-W72 WeakPolarHBondContact O-CA 3.25Å; F67-W72 HydrophobicContact CB-CD2 3.96Å; F67-W72 HydrophobicContact CB-CE3 3.92Å; F67-W72 HydrophobicContact CB-CH2 3.86Å; F67-W72 HydrophobicContact CB-CZ2 3.87Å; F67-W72 HydrophobicContact CB-CZ3 3.9Å; F67-W72 AromaticContact CD2-CD1 3.51Å; F67-W72 AromaticContact CD2-CD2 3.73Å; F67-W72 HydrophobicContact CD2-CD2 3.73Å; F67-W72 AromaticContact CD2-CE2 3.47Å; F67-W72 VanDerWaalsContact CD2-CE2 3.47Å; F67-W72 AromaticContact CD2-CG 3.76Å; F67-W72 HydrophobicContact CD2-CG 3.76Å; F67-W72 HydrophobicContact CD2-CZ2 4.08Å; F67-W72 AromaticContact CD2-NE1 3.31Å; F67-W72 VanDerWaalsContact CD2-NE1 3.31Å; F67-W72 AromaticContact CE2-CD1 3.74Å; F67-W72 HydrophobicContact CE2-CG 4.41Å; F67-W72 AromaticContact CE2-NE1 3.54Å; F67-W72 HydrophobicContact CG-CD2 4.18Å; F67-W72 AromaticContact CG-CE2 3.8Å; F67-W72 HydrophobicContact CG-CH2 4.44Å; F67-W72 AromaticContact CG-CZ2 3.94Å; F67-W72 HydrophobicContact CG-CZ2 3.94Å; W72-F74 HydrophobicContact CB-CD2 4.36Å; W72-F74 HydrophobicContact CB-CE2 3.57Å; W72-F74 HydrophobicContact CB-CZ 3.93Å; W72-F74 HydrophobicContact CD2-CE1 4.39Å; W72-F74 HydrophobicContact CD2-CE2 4.27Å; W72-F74 AromaticContact CD2-CZ 3.67Å; W72-F74 HydrophobicContact CD2-CZ 3.67Å; W72-F74 AromaticContact CE3-CE1 3.57Å; W72-F74 HydrophobicContact CE3-CE1 3.57Å; W72-F74 HydrophobicContact CE3-CE2 4.14Å; W72-F74 AromaticContact CE3-CZ 3.3Å; W72-F74 HydrophobicContact CE3-CZ 3.3Å; W72-F74 HydrophobicContact CG-CE2 4.08Å; W72-F74 AromaticContact CG-CZ 3.96Å; W72-F74 HydrophobicContact CG-CZ 3.96Å; W72-F74 AromaticContact CZ3-CE1 3.95Å; W72-F74 HydrophobicContact CZ3-CE1 3.95Å; W72-F74 HydrophobicContact CZ3-CZ 4.03Å; W72-V96 CarbonylContact O-C 3.57Å; W72-V96 WeakPolarHBondContact O-CA 3.27Å; W72-A97 HydrophobicContact CB-CB 4.41Å; W72-A97 PolarHBondContact N-O 3.49Å; W72-A97 PolarHBondContact O-N 2.93Å
73T98.4Very high97.4Very high24 Ų2474.5 Ų74.515%0.14736%0.358CS..EExtended strand (participates in β ladder)trans-125.7121168.2-60.50000109.2Y65 R66 K94 I95 V96Y65-T73 CarbonylContact C-O 3.54Å; Y65-T73 VanDerWaalsContact CA-O 3.3Å; Y65-T73 WeakPolarHBondContact CA-O 3.37Å; R66-T73 PolarHBondContact N-O 2.75Å; R66-T73 PolarHBondContact O-N 3.31Å; T73-K94 HydrophobicContact CG2-CG 4.29Å; T73-I95 CarbonylContact C-O 3.04Å; T73-I95 VanDerWaalsContact CA-O 3.31Å; T73-I95 WeakPolarHBondContact CA-O 3.42Å; T73-V96 HydrophobicContact CG2-CG2 4.33Å
74F98.8Very high97.1Very high55 Ų5577.3 Ų77.324%0.24138%0.377CS..EExtended strand (participates in β ladder)trans-114.9146.9174-53.4-82.4000110L62 W72 L76 K94 I95L62-F74 HydrophobicContact CD1-CB 4.3Å; L62-F74 HydrophobicContact CD1-CD1 4Å; W72-F74 HydrophobicContact CB-CD2 4.36Å; W72-F74 HydrophobicContact CB-CE2 3.57Å; W72-F74 HydrophobicContact CB-CZ 3.93Å; W72-F74 HydrophobicContact CD2-CE1 4.39Å; W72-F74 HydrophobicContact CD2-CE2 4.27Å; W72-F74 AromaticContact CD2-CZ 3.67Å; W72-F74 HydrophobicContact CD2-CZ 3.67Å; W72-F74 AromaticContact CE3-CE1 3.57Å; W72-F74 HydrophobicContact CE3-CE1 3.57Å; W72-F74 HydrophobicContact CE3-CE2 4.14Å; W72-F74 AromaticContact CE3-CZ 3.3Å; W72-F74 HydrophobicContact CE3-CZ 3.3Å; W72-F74 HydrophobicContact CG-CE2 4.08Å; W72-F74 AromaticContact CG-CZ 3.96Å; W72-F74 HydrophobicContact CG-CZ 3.96Å; W72-F74 AromaticContact CZ3-CE1 3.95Å; W72-F74 HydrophobicContact CZ3-CE1 3.95Å; W72-F74 HydrophobicContact CZ3-CZ 4.03Å; F74-L76 HydrophobicContact CB-CD1 3.69Å; F74-K94 CarbonylContact O-C 3.5Å; F74-K94 VanDerWaalsContact O-CA 3.31Å; F74-K94 WeakPolarHBondContact O-CA 3.03Å; F74-I95 HydrophobicContact CB-CB 4.3Å; F74-I95 HydrophobicContact CD2-CB 4.34Å; F74-I95 HydrophobicContact CD2-CG2 4.41Å; F74-I95 PolarHBondContact N-O 2.91Å; F74-I95 PolarHBondContact O-N 3.05Å
75V98.8Very high96.7Very high26 Ų2680.3 Ų80.316%0.15840%0.396CS..EExtended strand (participates in β ladder)trans-121.8125.9162.6-179.80000106.8N63 T64 K92 V93 K94N63-V75 WeakPolarHBondContact CA-O 3.45Å; N63-V75 HydrophobicContact CB-CG1 4.32Å; N63-V75 VanDerWaalsContact CB-O 3.27Å; N63-V75 WeakPolarHBondContact CB-O 3.43Å; N63-V75 PolarHBondContact N-O 3.23Å; T64-V75 HydrophobicContact CG2-CB 3.74Å; T64-V75 HydrophobicContact CG2-CG2 3.85Å; T64-V75 PolarHBondContact N-O 3.33Å; T64-V75 PolarHBondContact O-N 3.34Å; V75-K92 HydrophobicContact CG1-CD 4.29Å; V75-K92 HydrophobicContact CG1-CG 3.98Å; V75-V93 WeakPolarHBondContact CA-O 3.19Å; V75-K94 HydrophobicContact CG2-CG 4.46Å
76L98.8Very high96.5Very high15 Ų1578.9 Ų78.98%0.07939%0.394CS..EExtended strand (participates in β ladder)trans-118.6148.8177.8-65.184000108.9F58 S61 L62 F74 V79 K92 V93 I95F58-L76 HydrophobicContact CD2-CD2 4.48Å; F58-L76 HydrophobicContact CE2-CD2 4.1Å; S61-L76 CarbonylContact O-C 3.49Å; S61-L76 VanDerWaalsContact O-CA 3.24Å; S61-L76 WeakPolarHBondContact O-CA 3.41Å; L62-L76 HydrophobicContact CD1-CG 4.36Å; F74-L76 HydrophobicContact CB-CD1 3.69Å; L76-V79 HydrophobicContact CB-CG2 3.41Å; L76-V79 VanDerWaalsContact CB-CG2 3.41Å; L76-V79 HydrophobicContact CD2-CG2 4.37Å; L76-K92 CarbonylContact O-C 3.5Å; L76-K92 VanDerWaalsContact O-CA 3.3Å; L76-K92 WeakPolarHBondContact O-CA 3.43Å; L76-V93 HydrophobicContact CB-CG1 4.01Å; L76-V93 HydrophobicContact CD1-CG1 4.39Å; L76-V93 PolarHBondContact N-O 2.77Å; L76-V93 PolarHBondContact O-N 2.82Å; L76-I95 HydrophobicContact CD1-CD1 3.78Å; L76-I95 HydrophobicContact CD1-CG1 4.22Å
77N98.8Very high96.3Very high47 Ų4775.6 Ų75.625%0.25139%0.387SS..EExtended strand (participates in β ladder)trans-108.8158.4170.4-54.2-26.4000110.1S61 N63 V79 D91S61-N77 PolarHBondContact N-O 2.94Å; S61-N77 PolarHBondContact O-N 3.06Å; N63-N77 PolarHBondContact ND2-ND2 2.55Å; N63-N77 PolarHBondContact ND2-OD1 2.88Å; N77-V79 PolarHBondContact O-N 2.86Å; N77-D91 CarbonylContact C-O 3.59Å; N77-D91 WeakPolarHBondContact CA-O 3.37Å
78D98.5Very high96.3Very high110 Ų11074.1 Ų74.159%0.58839%0.387SS*.EExtended strand (participates in β ladder)trans51.552.7174-51.3-54.1000112.4D91D78-D91 PolarHBondContact N-O 2.83Å
79V98.6Very high96.5Very high1 Ų177.6 Ų77.61%0.00639%0.394CS..EExtended strand (participates in β ladder)trans-92.3135.3-172.3-171.80000111.1F58 R59 L76 N77 F81 K89 V90 V93F58-V79 HydrophobicContact CB-CG1 4.4Å; F58-V79 HydrophobicContact CD2-CG1 4.34Å; R59-V79 CarbonylContact O-C 3.59Å; R59-V79 WeakPolarHBondContact O-CA 3.45Å; R59-V79 WeakPolarHBondContact O-CG1 3.34Å; L76-V79 HydrophobicContact CB-CG2 3.41Å; L76-V79 VanDerWaalsContact CB-CG2 3.41Å; L76-V79 HydrophobicContact CD2-CG2 4.37Å; N77-V79 PolarHBondContact O-N 2.86Å; V79-F81 HydrophobicContact CB-CE2 4.17Å; V79-F81 HydrophobicContact CG1-CD2 3.92Å; V79-F81 HydrophobicContact CG1-CE1 4.48Å; V79-F81 HydrophobicContact CG1-CE2 3.48Å; V79-F81 VanDerWaalsContact CG1-CE2 3.48Å; V79-F81 HydrophobicContact CG1-CZ 3.79Å; V79-K89 CarbonylContact O-C 3.59Å; V79-K89 WeakPolarHBondContact O-CA 3.07Å; V79-V90 HydrophobicContact CB-CG2 3.86Å; V79-V90 PolarHBondContact N-O 2.9Å; V79-V90 PolarHBondContact O-N 2.7Å; V79-V93 HydrophobicContact CB-CG1 4.11Å; V79-V93 HydrophobicContact CG1-CG1 4.23Å; V79-V93 HydrophobicContact CG2-CG1 3.54Å
80E98.5Very high96.7Very high34 Ų3473 Ų7316%0.15937%0.371CS..EExtended strand (participates in β ladder)trans-115116.2170-58.1-172.8155.600109.4F58 R59 V88 K89F58-E80 WeakPolarHBondContact CA-O 3.44Å; R59-E80 HydrophobicContact CG-CB 4.18Å; R59-E80 IonicContact CZ-OE2 3.07Å; R59-E80 PolarHBondContact N-O 2.98Å; R59-E80 IonicContact NE-OE2 2.82Å; R59-E80 PolarHBondContact NE-OE2 3.43Å; R59-E80 IonicContact NH2-OE2 2.63Å; R59-E80 PolarHBondContact NH2-OE2 3.37Å; R59-E80 PolarHBondContact O-N 3.38Å; E80-V88 WeakPolarHBondContact CA-O 3.36Å; E80-K89 HydrophobicContact CG-CD 4.14Å; E80-K89 HydrophobicContact CG-CG 4.06Å; E80-K89 WeakPolarHBondContact OE1-CE 3.37Å; E80-K89 IonicContact OE1-NZ 2.7Å; E80-K89 PolarHBondContact OE1-NZ 3.44Å
81F98.4Very high97Very high54 Ų5474.4 Ų74.424%0.23738%0.378CS..EExtended strand (participates in β ladder)trans-92.1135.4168.6-66.1-88000109.2V56 F58 V79 L87 V88 V90 V93V56-F81 HydrophobicContact CG1-CB 4.28Å; V56-F81 HydrophobicContact CG1-CD1 4.04Å; F58-F81 HydrophobicContact CB-CD1 3.52Å; F58-F81 HydrophobicContact CB-CE1 3.74Å; F58-F81 HydrophobicContact CB-CG 4.16Å; F58-F81 HydrophobicContact CD1-CE1 4.31Å; F58-F81 HydrophobicContact CG-CD1 4.2Å; F58-F81 AromaticContact CG-CE1 3.95Å; F58-F81 HydrophobicContact CG-CE1 3.95Å; V79-F81 HydrophobicContact CB-CE2 4.17Å; V79-F81 HydrophobicContact CG1-CD2 3.92Å; V79-F81 HydrophobicContact CG1-CE1 4.48Å; V79-F81 HydrophobicContact CG1-CE2 3.48Å; V79-F81 VanDerWaalsContact CG1-CE2 3.48Å; V79-F81 HydrophobicContact CG1-CZ 3.79Å; F81-L87 WeakPolarHBondContact O-CA 3.29Å; F81-V88 HydrophobicContact CB-CB 4.41Å; F81-V88 PolarHBondContact N-O 3.32Å; F81-V88 PolarHBondContact O-N 2.93Å; F81-V90 HydrophobicContact CD2-CG2 4.31Å; F81-V90 HydrophobicContact CE2-CG2 3.87Å; F81-V93 HydrophobicContact CE2-CB 4.46Å; F81-V93 HydrophobicContact CE2-CG1 4.37Å; F81-V93 HydrophobicContact CE2-CG2 4.31Å; F81-V93 HydrophobicContact CZ-CG1 4.18Å; F81-V93 HydrophobicContact CZ-CG2 4.08Å
82R97.5Very high97.1Very high130 Ų13079 Ų7949%0.49140%0.395SS..EExtended strand (participates in β ladder)trans-130.2118.7-179.9-176.1-178.9-65.4-97.92.8110.1N57 E86 L87N57-R82 PolarHBondContact N-O 2.82Å; N57-R82 PolarHBondContact O-N 2.87Å; R82-E86 WeakPolarHBondContact CA-O 3.33Å; R82-L87 VanDerWaalsContact NH2-CD1 3.32Å
83E93.7Very high97.1Very high65 Ų6575.6 Ų75.630%0.30439%0.386SS..  trans-98.8-174162.2-159.7168.5-155.100109N54 T85 E86N54-E83 WeakPolarHBondContact CB-OE1 3.44Å; N54-E83 PolarHBondContact ND2-OE1 3.47Å; E83-T85 VanDerWaalsContact C-N 3.3Å; E83-T85 PolarHBondContact O-N 3.42Å; E83-E86 HydrophobicContact CB-CB 4.5Å; E83-E86 PolarHBondContact N-O 3.26Å
84V91.1Very high97.2Very high139 Ų13981.3 Ų81.384%0.84241%0.408SS*.SBendtrans-55.4-45.2-175.3-177.60000111.8
85T89.8Confident97.1Very high128 Ų12880.9 Ų80.979%0.78541%0.408SS*.SBendtrans-118.1-14.3-176.249.10000113.6E83E83-T85 VanDerWaalsContact C-N 3.3Å; E83-T85 PolarHBondContact O-N 3.42Å
86E94.7Very high97.1Very high119 Ų11982 Ų8256%0.55642%0.415SS*.  trans-112142.6-171.2-63.2-168.4-179.800112.3R82 E83R82-E86 WeakPolarHBondContact CA-O 3.33Å; E83-E86 HydrophobicContact CB-CB 4.5Å; E83-E86 PolarHBondContact N-O 3.26Å
87L95.6Very high97Very high73 Ų7383.2 Ų83.238%0.38243%0.427SS..EExtended strand (participates in β ladder)trans-128.6122.9173.1-174.3146.9000109.1F81 R82 K89F81-L87 WeakPolarHBondContact O-CA 3.29Å; R82-L87 VanDerWaalsContact NH2-CD1 3.32Å; L87-K89 HydrophobicContact CD2-CD 4.2Å; L87-K89 HydrophobicContact CD2-CG 3.51Å
88V98Very high96.8Very high73 Ų7382.7 Ų82.744%0.44243%0.427SS..EExtended strand (participates in β ladder)trans-118.2125.8178.5-179.20000108.4E80 F81 V90E80-V88 WeakPolarHBondContact CA-O 3.36Å; F81-V88 HydrophobicContact CB-CB 4.41Å; F81-V88 PolarHBondContact N-O 3.32Å; F81-V88 PolarHBondContact O-N 2.93Å; V88-V90 HydrophobicContact CG1-CG1 4.26Å
89K98.1Very high96.5Very high141 Ų14180.3 Ų80.361%0.61341%0.414SS*.EExtended strand (participates in β ladder)trans-106.1137.9174.5-53.3-159-174.2-159.60110.1V79 E80 L87V79-K89 CarbonylContact O-C 3.59Å; V79-K89 WeakPolarHBondContact O-CA 3.07Å; E80-K89 HydrophobicContact CG-CD 4.14Å; E80-K89 HydrophobicContact CG-CG 4.06Å; E80-K89 WeakPolarHBondContact OE1-CE 3.37Å; E80-K89 IonicContact OE1-NZ 2.7Å; E80-K89 PolarHBondContact OE1-NZ 3.44Å; L87-K89 HydrophobicContact CD2-CD 4.2Å; L87-K89 HydrophobicContact CD2-CG 3.51Å
90V98.4Very high95.8Very high48 Ų4882.6 Ų82.629%0.29144%0.438SS..EExtended strand (participates in β ladder)trans-139.5136.6175.7-62.60000110.5V79 F81 V88 K92 V93V79-V90 HydrophobicContact CB-CG2 3.86Å; V79-V90 PolarHBondContact N-O 2.9Å; V79-V90 PolarHBondContact O-N 2.7Å; F81-V90 HydrophobicContact CD2-CG2 4.31Å; F81-V90 HydrophobicContact CE2-CG2 3.87Å; V88-V90 HydrophobicContact CG1-CG1 4.26Å; V90-K92 PolarHBondContact O-N 2.63Å; V90-V93 HydrophobicContact CG2-CB 4.12Å
91D98.6Very high94.5Very high138 Ų13888.9 Ų88.974%0.73847%0.465SS*.EExtended strand (participates in β ladder)trans-64.8-32.1-179-59.9-18.1000111.8N77 D78N77-D91 CarbonylContact C-O 3.59Å; N77-D91 WeakPolarHBondContact CA-O 3.37Å; D78-D91 PolarHBondContact N-O 2.83Å
92K98.5Very high92.6Very high136 Ų13692 Ų9259%0.59148%0.484SS*.EExtended strand (participates in β ladder)trans-153.6136.8-177.5-165.7173-174.5176.10111.8V75 L76 V90V75-K92 HydrophobicContact CG1-CD 4.29Å; V75-K92 HydrophobicContact CG1-CG 3.98Å; L76-K92 CarbonylContact O-C 3.5Å; L76-K92 VanDerWaalsContact O-CA 3.3Å; L76-K92 WeakPolarHBondContact O-CA 3.43Å; V90-K92 PolarHBondContact O-N 2.63Å
93V98.7Very high90.6Very high32 Ų3290.5 Ų90.519%0.19449%0.489CS..EExtended strand (participates in β ladder)trans-136.8144.4175.269.90000111.3V75 L76 V79 F81 V90 I95V75-V93 WeakPolarHBondContact CA-O 3.19Å; L76-V93 HydrophobicContact CB-CG1 4.01Å; L76-V93 HydrophobicContact CD1-CG1 4.39Å; L76-V93 PolarHBondContact N-O 2.77Å; L76-V93 PolarHBondContact O-N 2.82Å; V79-V93 HydrophobicContact CB-CG1 4.11Å; V79-V93 HydrophobicContact CG1-CG1 4.23Å; V79-V93 HydrophobicContact CG2-CG1 3.54Å; F81-V93 HydrophobicContact CE2-CB 4.46Å; F81-V93 HydrophobicContact CE2-CG1 4.37Å; F81-V93 HydrophobicContact CE2-CG2 4.31Å; F81-V93 HydrophobicContact CZ-CG1 4.18Å; F81-V93 HydrophobicContact CZ-CG2 4.08Å; V90-V93 HydrophobicContact CG2-CB 4.12Å; V93-I95 HydrophobicContact CG1-CG1 4.45Å
94K98.6Very high88.5Confident144 Ų14490.4 Ų90.463%0.62651%0.506SS*.EExtended strand (participates in β ladder)trans-106.8123.3170.3-178.4-175.8176.3-174.70109.2T73 F74 V75 V96T73-K94 HydrophobicContact CG2-CG 4.29Å; F74-K94 CarbonylContact O-C 3.5Å; F74-K94 VanDerWaalsContact O-CA 3.31Å; F74-K94 WeakPolarHBondContact O-CA 3.03Å; V75-K94 HydrophobicContact CG2-CG 4.46Å; K94-V96 HydrophobicContact CD-CG2 4.3Å; K94-V96 HydrophobicContact CG-CG2 4.2Å
95I98.4Very high86Confident45 Ų4587.6 Ų87.623%0.23149%0.492CS..EExtended strand (participates in β ladder)trans-108.3122.3175.5-56.2178.3000108F58 T73 F74 L76 V93F58-I95 HydrophobicContact CE2-CD1 3.91Å; F58-I95 HydrophobicContact CZ-CD1 3.96Å; T73-I95 CarbonylContact C-O 3.04Å; T73-I95 VanDerWaalsContact CA-O 3.31Å; T73-I95 WeakPolarHBondContact CA-O 3.42Å; F74-I95 HydrophobicContact CB-CB 4.3Å; F74-I95 HydrophobicContact CD2-CB 4.34Å; F74-I95 HydrophobicContact CD2-CG2 4.41Å; F74-I95 PolarHBondContact N-O 2.91Å; F74-I95 PolarHBondContact O-N 3.05Å; L76-I95 HydrophobicContact CD1-CD1 3.78Å; L76-I95 HydrophobicContact CD1-CG1 4.22Å; V93-I95 HydrophobicContact CG1-CG1 4.45Å
96V98.3Very high83.7Confident50 Ų5089.6 Ų89.630%0.30350%0.498SS..EExtended strand (participates in β ladder)trans-115.7122.1173.2-174.40000108L5 V71 W72 T73 K94L5-V96 HydrophobicContact CD1-CB 4.17Å; L5-V96 HydrophobicContact CD1-CG1 3.65Å; L5-V96 HydrophobicContact CD2-CB 4.49Å; L5-V96 HydrophobicContact CD2-CG1 4.18Å; V71-V96 HydrophobicContact CG1-CG1 3.61Å; W72-V96 CarbonylContact O-C 3.57Å; W72-V96 WeakPolarHBondContact O-CA 3.27Å; T73-V96 HydrophobicContact CG2-CG2 4.33Å; K94-V96 HydrophobicContact CD-CG2 4.3Å; K94-V96 HydrophobicContact CG-CG2 4.2Å
97A97.1Very high80.9Confident40 Ų4089.9 Ų89.933%0.33151%0.508SS..EExtended strand (participates in β ladder)trans-131.3120.1-174.100000111V71 W72V71-A97 WeakPolarHBondContact CA-O 3.37Å; W72-A97 HydrophobicContact CB-CB 4.41Å; W72-A97 PolarHBondContact N-O 3.49Å; W72-A97 PolarHBondContact O-N 2.93Å
98C94.7Very high78Confident37 Ų3790.9 Ų90.925%0.2553%0.527CS..EExtended strand (participates in β ladder)trans-83.9158.1167.9-60.50000110.3Y3 G100Y3-C98 HydrophobicContact CD1-CB 3.79Å; Y3-C98 HydrophobicContact CD2-CB 4.13Å; Y3-C98 HydrophobicContact CE1-CB 3.67Å; Y3-C98 HydrophobicContact CE2-CB 3.97Å; Y3-C98 HydrophobicContact CG-CB 4.04Å; C98-G100 PolarHBondContact O-N 2.98Å
99D90.4Very high74.9Confident59 Ų59100.1 Ų100.132%0.31657%0.565SS.*  trans-62.9124.1177.2-171.53.3000112.4Y3 N70 K101Y3-D99 WeakPolarHBondContact CE2-O 3.23Å; Y3-D99 VanDerWaalsContact CZ-O 3.29Å; Y3-D99 PolarHBondContact OH-O 3.17Å; N70-D99 PolarHBondContact O-N 3.3Å; D99-K101 WeakPolarHBondContact OD1-CB 3.34Å; D99-K101 VanDerWaalsContact OD1-CG 3.25Å; D99-K101 WeakPolarHBondContact OD1-CG 3.32Å; D99-K101 PolarHBondContact OD1-N 3.34Å
100G84.3Confident73.7Confident50 Ų5098.1 Ų98.152%0.51556%0.563SS.*SBendtrans-81.2-10.3176.700000114.5C98 N102 T103C98-G100 PolarHBondContact O-N 2.98Å; G100-N102 VanDerWaalsContact C-N 3.28Å; G100-N102 PolarHBondContact O-N 2.93Å; G100-T103 PolarHBondContact O-N 3.34Å; G100-T103 PolarHBondContact O-OG1 2.91Å
101K72.5Confident72.4Confident166 Ų166100.7 Ų100.772%0.72258%0.577SS**G310 helixtrans-64.7-28.7-172.2-69.9173.2-177.4178.90113.8D99 T103D99-K101 WeakPolarHBondContact OD1-CB 3.34Å; D99-K101 VanDerWaalsContact OD1-CG 3.25Å; D99-K101 WeakPolarHBondContact OD1-CG 3.32Å; D99-K101 PolarHBondContact OD1-N 3.34Å; K101-T103 VanDerWaalsContact C-N 3.35Å; K101-T103 PolarHBondContact O-N 3.31Å
102N57.8Low70.9Confident119 Ų11998.6 Ų98.664%0.63657%0.568SS**G310 helixtrans-84.70.8-177.7-78-11000115.1G100G100-N102 VanDerWaalsContact C-N 3.28Å; G100-N102 PolarHBondContact O-N 2.93Å
103T55.8Low69.3Low99 Ų9996.4 Ų96.461%0.60757%0.567SS**G310 helixtrans-96.1-0.6177.4550000113.7Y3 G100 K101Y3-T103 HydrophobicContact CE2-CG2 4.33Å; G100-T103 PolarHBondContact O-N 3.34Å; G100-T103 PolarHBondContact O-OG1 2.91Å; K101-T103 VanDerWaalsContact C-N 3.35Å; K101-T103 PolarHBondContact O-N 3.31Å
104G48.9Very low67.5Low63 Ų63100.4 Ų100.465%0.64959%0.59SS**SBendtrans-127.20.8-174.400000117N106G104-N106 VanDerWaalsContact C-N 3.31Å; G104-N106 PolarHBondContact O-N 2.8Å
105S38.7Very low65.4Low80 Ų8097.5 Ų97.556%0.55959%0.588SS**  trans-80.776.1-179.261.80000112.1
106N41.5Very low63Low169 Ų169101.3 Ų101.390%0.90461%0.613SS**  trans-104.151.3144-105.511000107.8G104 A108G104-N106 VanDerWaalsContact C-N 3.31Å; G104-N106 PolarHBondContact O-N 2.8Å; N106-A108 PolarHBondContact O-N 3.15Å
107T35.9Very low60.3Low126 Ų126105.2 Ų105.277%0.77364%0.637SS**  trans-79105.3160.935.70000106.6
108A33.9Very low57.3Low93 Ų93110.7 Ų110.777%0.76966%0.662SS**  trans-49.4136.9169.600000110.8N106N106-A108 PolarHBondContact O-N 3.15Å
109E32.8Very low53.9Low267 Ų267117.4 Ų117.4100%1.24870%0.7SS**  trans-64.70141.8-75.4-176.5152.600109.4

Retrieved 109 of 109 residues in 305.9 ms (Link to these results)

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