A0A087XJZ7_POEFO Loading...

Elongation factor 1-beta

Catalytic subunit of the guanine nucleotide exchange factor (GEF) (eEF1B subcomplex) of the eukaryotic elongation factor 1 complex (eEF1). Stimulates the exchange of GDP for GTP on elongation factor 1A (eEF1A), probably by displacing GDP from the nucleotide binding pocket in eEF1A.

AlphaFold DB , UniProt , Accession A0A087XJZ7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 226 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
1M58.7Low72.4Confident127 Ų12752.6 Ų52.663%0.62631%0.311SS*.  0137.40-71.5180-14200105.4G77 P81 P82 V84M1-G77 CarbonylContact O-C 3.52Å; M1-P81 WeakPolarHBondContact CA-O 3.35Å; M1-P82 HydrophobicContact CG-CB 4.34Å; M1-V84 CarbonylContact C-O 3.58Å; M1-V84 PolarHBondContact N-O 3.03Å
2G70.4Confident73.2Confident1 Ų150.2 Ų50.21%0.0130%0.295CS..  trans167.5141.3-176.500000111.3G4 Y79 V84G2-G4 PolarHBondContact O-N 3.12Å; G2-Y79 CarbonylContact C-O 3.56Å; G2-Y79 WeakPolarHBondContact CA-O 3.35Å; G2-Y79 PolarHBondContact N-O 3Å; G2-V84 PolarHBondContact N-O 2.61Å; G2-V84 WeakPolarHBondContact O-CB 3.45Å; G2-V84 WeakPolarHBondContact O-CG2 3.39Å
3F66.7Low73.9Confident4 Ų456.4 Ų56.42%0.01832%0.316CS..  trans-77.11.2171-63.3-73.2000113.3L6 G11 V14 L15 F18 I25 V37F3-L6 HydrophobicContact CB-CD1 4.38Å; F3-L6 HydrophobicContact CB-CD2 3.49Å; F3-L6 VanDerWaalsContact CB-CD2 3.49Å; F3-L6 HydrophobicContact CB-CG 3.97Å; F3-L6 HydrophobicContact CG-CD2 4.26Å; F3-G11 VanDerWaalsContact O-CA 3.27Å; F3-G11 WeakPolarHBondContact O-CA 3.48Å; F3-V14 HydrophobicContact CD1-CG1 4.4Å; F3-L15 HydrophobicContact CD1-CB 4.03Å; F3-L15 HydrophobicContact CD1-CD1 3.71Å; F3-L15 HydrophobicContact CD1-CG 4.5Å; F3-L15 HydrophobicContact CD2-CD1 4.48Å; F3-L15 HydrophobicContact CE1-CD1 3.53Å; F3-L15 HydrophobicContact CE2-CD1 4.32Å; F3-L15 HydrophobicContact CG-CD1 4.19Å; F3-L15 HydrophobicContact CZ-CD1 3.85Å; F3-F18 HydrophobicContact CE1-CB 3.66Å; F3-F18 AromaticContact CE1-CD1 3.49Å; F3-F18 HydrophobicContact CE1-CD1 3.49Å; F3-F18 VanDerWaalsContact CE1-CD1 3.49Å; F3-F18 HydrophobicContact CE1-CD2 4.25Å; F3-F18 HydrophobicContact CE1-CE1 4.14Å; F3-F18 AromaticContact CE1-CG 3.54Å; F3-F18 HydrophobicContact CE1-CG 3.54Å; F3-F18 AromaticContact CZ-CD1 3.49Å; F3-F18 HydrophobicContact CZ-CD1 3.49Å; F3-F18 VanDerWaalsContact CZ-CD1 3.49Å; F3-F18 AromaticContact CZ-CE1 3.67Å; F3-F18 HydrophobicContact CZ-CE1 3.67Å; F3-F18 AromaticContact CZ-CG 3.97Å; F3-F18 HydrophobicContact CZ-CG 3.97Å; F3-F18 HydrophobicContact CZ-CZ 4.27Å; F3-I25 HydrophobicContact CE2-CD1 3.92Å; F3-I25 HydrophobicContact CE2-CG2 3.94Å; F3-I25 HydrophobicContact CZ-CD1 3.71Å; F3-I25 HydrophobicContact CZ-CG2 4.25Å; F3-V37 HydrophobicContact CD2-CG2 4.22Å; F3-V37 HydrophobicContact CE2-CG2 4.05Å
4G69.1Low74.6Confident23 Ų2355.1 Ų55.124%0.23731%0.31CS..  trans67.2-153.9-172.900000111.8G2 L6G2-G4 PolarHBondContact O-N 3.12Å; G4-L6 PolarHBondContact O-N 3.17Å; G4-L6 VanDerWaalsContact O-N 3.12Å
5D74.6Confident75.2Confident71 Ų7151.4 Ų51.438%0.3829%0.289SS..  trans-75.4100174.6-178.512.3000110.4K7 S8 G11D5-K7 PolarHBondContact O-N 2.97Å; D5-K7 VanDerWaalsContact O-N 3.12Å; D5-K7 WeakPolarHBondContact OD1-CB 3.44Å; D5-K7 PolarHBondContact OD1-N 3.12Å; D5-S8 WeakPolarHBondContact O-CB 3.27Å; D5-S8 PolarHBondContact O-N 2.94Å; D5-S8 PolarHBondContact O-OG 2.97Å; D5-G11 WeakPolarHBondContact O-CA 3.45Å
6L73.3Confident75.9Confident4 Ų449.1 Ų49.12%0.02128%0.276CS..THydrogen-bonded Turntrans-63.9-10.5177.5-72172.6000114.3F3 G4 L12 L15 V37 V40 L41 L76F3-L6 HydrophobicContact CB-CD1 4.38Å; F3-L6 HydrophobicContact CB-CD2 3.49Å; F3-L6 VanDerWaalsContact CB-CD2 3.49Å; F3-L6 HydrophobicContact CB-CG 3.97Å; F3-L6 HydrophobicContact CG-CD2 4.26Å; G4-L6 PolarHBondContact O-N 3.17Å; G4-L6 VanDerWaalsContact O-N 3.12Å; L6-L12 WeakPolarHBondContact O-CG 3.45Å; L6-L15 HydrophobicContact CD2-CB 4Å; L6-L15 HydrophobicContact CD2-CD2 3.9Å; L6-L15 HydrophobicContact CD2-CG 4.43Å; L6-V37 HydrophobicContact CD1-CG1 3.77Å; L6-V40 HydrophobicContact CB-CG1 3.87Å; L6-V40 HydrophobicContact CD1-CB 4.15Å; L6-V40 HydrophobicContact CD1-CG1 3.97Å; L6-L41 HydrophobicContact CB-CD2 4.22Å; L6-L41 WeakPolarHBondContact O-CD2 3.34Å; L6-L76 HydrophobicContact CD1-CD2 3.88Å
7K73.5Confident76.6Confident160 Ų16052.4 Ų52.470%0.69629%0.293SS*.THydrogen-bonded Turntrans-86.3-15171.7-59.7179.2-179.3175.30112.3D5D5-K7 PolarHBondContact O-N 2.97Å; D5-K7 VanDerWaalsContact O-N 3.12Å; D5-K7 WeakPolarHBondContact OD1-CB 3.44Å; D5-K7 PolarHBondContact OD1-N 3.12Å
8S77.4Confident77.1Confident29 Ų2950.3 Ų50.320%0.20328%0.28CS..SBendtrans-87.6150.4176.177.40000111.5D5 S10 G11 L12D5-S8 WeakPolarHBondContact O-CB 3.27Å; D5-S8 PolarHBondContact O-N 2.94Å; D5-S8 PolarHBondContact O-OG 2.97Å; S8-S10 PolarHBondContact O-N 3.1Å; S8-S10 PolarHBondContact OG-OG 3.27Å; S8-G11 PolarHBondContact O-N 3.23Å; S8-G11 PolarHBondContact OG-N 2.9Å; S8-G11 VanDerWaalsContact OG-N 3.12Å; S8-L12 WeakPolarHBondContact O-CG 3.45Å; S8-L12 PolarHBondContact O-N 3.25Å; S8-L12 VanDerWaalsContact O-N 3.1Å
9A77.7Confident77.6Confident77 Ų7747.7 Ų47.764%0.63627%0.266SS*.Hα-helixtrans-61.5-27.5175.500000112.9K13A9-K13 WeakPolarHBondContact O-CG 3.39Å; A9-K13 PolarHBondContact O-N 3.21Å
10S76.8Confident78.1Confident79 Ų7947.8 Ų47.855%0.55227%0.27SS*.Hα-helixtrans-72.1-46.117641.10000112S8 L12 K13 V14S8-S10 PolarHBondContact O-N 3.1Å; S8-S10 PolarHBondContact OG-OG 3.27Å; S10-L12 VanDerWaalsContact C-N 3.32Å; S10-L12 PolarHBondContact O-N 3.37Å; S10-K13 PolarHBondContact O-N 3.42Å; S10-V14 WeakPolarHBondContact O-CG2 3.24Å; S10-V14 PolarHBondContact O-N 2.67Å; S10-V14 VanDerWaalsContact O-N 3.12Å
11G78.2Confident78.5Confident4 Ų452.3 Ų52.34%0.04129%0.293CS..Hα-helixtrans-64.5-36.2176.300000113F3 D5 S8 K13 V14 L15F3-G11 VanDerWaalsContact O-CA 3.27Å; F3-G11 WeakPolarHBondContact O-CA 3.48Å; D5-G11 WeakPolarHBondContact O-CA 3.45Å; S8-G11 PolarHBondContact O-N 3.23Å; S8-G11 PolarHBondContact OG-N 2.9Å; S8-G11 VanDerWaalsContact OG-N 3.12Å; G11-K13 VanDerWaalsContact C-N 3.34Å; G11-K13 PolarHBondContact O-N 3.12Å; G11-V14 PolarHBondContact O-N 3.3Å; G11-L15 PolarHBondContact O-N 3.12Å
12L81.4Confident79.8Confident23 Ų2351.5 Ų51.512%0.1228%0.283CS..Hα-helixtrans-63.3-36.7173.5-74.2171.4000113.1L6 S8 S10 N16 L41 P45 L49L6-L12 WeakPolarHBondContact O-CG 3.45Å; S8-L12 WeakPolarHBondContact O-CG 3.45Å; S8-L12 PolarHBondContact O-N 3.25Å; S8-L12 VanDerWaalsContact O-N 3.1Å; S10-L12 VanDerWaalsContact C-N 3.32Å; S10-L12 PolarHBondContact O-N 3.37Å; L12-N16 WeakPolarHBondContact O-CB 3.46Å; L12-N16 PolarHBondContact O-N 2.96Å; L12-L41 HydrophobicContact CD2-CD2 3.46Å; L12-L41 VanDerWaalsContact CD2-CD2 3.46Å; L12-P45 HydrophobicContact CD2-CB 4.48Å; L12-P45 HydrophobicContact CD2-CG 4.47Å; L12-L49 HydrophobicContact CB-CD1 3.65Å
13K83.3Confident80.5Confident131 Ų13155 Ų5557%0.5731%0.307SS*.Hα-helixtrans-66.7-45.4174.1-78.9-175.8177.4-173.20111.7A9 S10 G11 L15 N16 D17 L49A9-K13 WeakPolarHBondContact O-CG 3.39Å; A9-K13 PolarHBondContact O-N 3.21Å; S10-K13 PolarHBondContact O-N 3.42Å; G11-K13 VanDerWaalsContact C-N 3.34Å; G11-K13 PolarHBondContact O-N 3.12Å; K13-L15 VanDerWaalsContact C-N 3.28Å; K13-L15 PolarHBondContact O-N 3.36Å; K13-N16 WeakPolarHBondContact O-CB 3.39Å; K13-N16 PolarHBondContact O-N 3.33Å; K13-N16 VanDerWaalsContact O-N 3.1Å; K13-D17 VanDerWaalsContact O-CG 3.28Å; K13-D17 PolarHBondContact O-N 3.45Å; K13-L49 HydrophobicContact CG-CD2 4.09Å
14V83.4Confident81.4Confident38 Ų3856.3 Ų56.323%0.2331%0.312CS..Hα-helixtrans-59.3-41.1176.6174.50000111.2F3 S10 G11 F18 P81 V84F3-V14 HydrophobicContact CD1-CG1 4.4Å; S10-V14 WeakPolarHBondContact O-CG2 3.24Å; S10-V14 PolarHBondContact O-N 2.67Å; S10-V14 VanDerWaalsContact O-N 3.12Å; G11-V14 PolarHBondContact O-N 3.3Å; V14-F18 WeakPolarHBondContact O-CB 3.36Å; V14-F18 PolarHBondContact O-N 2.72Å; V14-P81 HydrophobicContact CG1-CG 4.25Å; V14-V84 HydrophobicContact CG1-CB 4.38Å; V14-V84 HydrophobicContact CG1-CG1 3.98Å; V14-V84 HydrophobicContact CG1-CG2 3.98Å; V14-V84 HydrophobicContact CG2-CG1 4.2Å
15L83.6Confident82.2Confident0 Ų055.7 Ų55.70%030%0.303CS..Hα-helixtrans-64.3-43.4174.4179.163.8000112.1F3 L6 G11 K13 F18 L19 I25 V37 L41 W55F3-L15 HydrophobicContact CD1-CB 4.03Å; F3-L15 HydrophobicContact CD1-CD1 3.71Å; F3-L15 HydrophobicContact CD1-CG 4.5Å; F3-L15 HydrophobicContact CD2-CD1 4.48Å; F3-L15 HydrophobicContact CE1-CD1 3.53Å; F3-L15 HydrophobicContact CE2-CD1 4.32Å; F3-L15 HydrophobicContact CG-CD1 4.19Å; F3-L15 HydrophobicContact CZ-CD1 3.85Å; L6-L15 HydrophobicContact CD2-CB 4Å; L6-L15 HydrophobicContact CD2-CD2 3.9Å; L6-L15 HydrophobicContact CD2-CG 4.43Å; G11-L15 PolarHBondContact O-N 3.12Å; K13-L15 VanDerWaalsContact C-N 3.28Å; K13-L15 PolarHBondContact O-N 3.36Å; L15-F18 PolarHBondContact O-N 3.18Å; L15-L19 HydrophobicContact CD1-CD1 3.78Å; L15-L19 HydrophobicContact CD1-CG 4.18Å; L15-L19 HydrophobicContact CG-CD1 3.85Å; L15-L19 WeakPolarHBondContact O-CB 3.09Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.43Å; L15-L19 PolarHBondContact O-N 3.3Å; L15-I25 HydrophobicContact CD1-CD1 3.75Å; L15-V37 HydrophobicContact CD1-CG1 4.11Å; L15-V37 HydrophobicContact CD2-CG1 4.08Å; L15-L41 HydrophobicContact CD2-CD1 3.61Å; L15-W55 HydrophobicContact CD2-CZ3 4.23Å
16N87Confident82.5Confident15 Ų1555.9 Ų55.98%0.0830%0.302CS..Hα-helixtrans-61.7-44.2177.9-179.482000112.2L12 K13 F18 L19 S20 L49 H51 A52L12-N16 WeakPolarHBondContact O-CB 3.46Å; L12-N16 PolarHBondContact O-N 2.96Å; K13-N16 WeakPolarHBondContact O-CB 3.39Å; K13-N16 PolarHBondContact O-N 3.33Å; K13-N16 VanDerWaalsContact O-N 3.1Å; N16-F18 VanDerWaalsContact C-N 3.35Å; N16-L19 CarbonylContact O-C 3.2Å; N16-L19 PolarHBondContact O-N 2.87Å; N16-S20 PolarHBondContact O-N 3.07Å; N16-S20 VanDerWaalsContact O-N 3.15Å; N16-L49 HydrophobicContact CB-CB 4.17Å; N16-L49 HydrophobicContact CB-CD2 3.81Å; N16-L49 HydrophobicContact CB-CG 4.45Å; N16-L49 WeakPolarHBondContact OD1-CA 3.4Å; N16-H51 WeakPolarHBondContact OD1-CB 2.92Å; N16-H51 PolarHBondContact OD1-N 3.46Å; N16-H51 VanDerWaalsContact OD1-N 3.11Å; N16-A52 HydrophobicContact CB-CB 4.1Å; N16-A52 PolarHBondContact OD1-N 3.37Å
17D87.4Confident82.9Confident105 Ų10558.3 Ų58.356%0.56133%0.328SS*.Hα-helixtrans-68.8-35.4179.1-63.1-15000111.1K13 L19 S20K13-D17 VanDerWaalsContact O-CG 3.28Å; K13-D17 PolarHBondContact O-N 3.45Å; D17-L19 VanDerWaalsContact C-N 3.3Å; D17-L19 PolarHBondContact O-N 3.05Å; D17-S20 PolarHBondContact O-N 2.96Å; D17-S20 PolarHBondContact O-OG 3.26Å
18F85.1Confident83.3Confident15 Ų1560.2 Ų60.27%0.06634%0.337CS..Hα-helixtrans-65.8-33.7174-177.1-98.5000113.1F3 V14 L15 N16 R22 P81F3-F18 HydrophobicContact CE1-CB 3.66Å; F3-F18 AromaticContact CE1-CD1 3.49Å; F3-F18 HydrophobicContact CE1-CD1 3.49Å; F3-F18 VanDerWaalsContact CE1-CD1 3.49Å; F3-F18 HydrophobicContact CE1-CD2 4.25Å; F3-F18 HydrophobicContact CE1-CE1 4.14Å; F3-F18 AromaticContact CE1-CG 3.54Å; F3-F18 HydrophobicContact CE1-CG 3.54Å; F3-F18 AromaticContact CZ-CD1 3.49Å; F3-F18 HydrophobicContact CZ-CD1 3.49Å; F3-F18 VanDerWaalsContact CZ-CD1 3.49Å; F3-F18 AromaticContact CZ-CE1 3.67Å; F3-F18 HydrophobicContact CZ-CE1 3.67Å; F3-F18 AromaticContact CZ-CG 3.97Å; F3-F18 HydrophobicContact CZ-CG 3.97Å; F3-F18 HydrophobicContact CZ-CZ 4.27Å; V14-F18 WeakPolarHBondContact O-CB 3.36Å; V14-F18 PolarHBondContact O-N 2.72Å; L15-F18 PolarHBondContact O-N 3.18Å; N16-F18 VanDerWaalsContact C-N 3.35Å; F18-R22 VanDerWaalsContact CE2-CZ 3.47Å; F18-P81 HydrophobicContact CB-CG 4.3Å; F18-P81 HydrophobicContact CD2-CB 4Å; F18-P81 HydrophobicContact CD2-CG 3.61Å; F18-P81 HydrophobicContact CE2-CB 4.4Å; F18-P81 HydrophobicContact CE2-CG 4.35Å; F18-P81 HydrophobicContact CG-CG 4.34Å
19L87.4Confident83.7Confident0 Ų062.9 Ų62.90%035%0.352CS..THydrogen-bonded Turntrans-882.2180-68.9170.9000113.7L15 N16 D17 D21 R22 I25 H51 R54 W55L15-L19 HydrophobicContact CD1-CD1 3.78Å; L15-L19 HydrophobicContact CD1-CG 4.18Å; L15-L19 HydrophobicContact CG-CD1 3.85Å; L15-L19 WeakPolarHBondContact O-CB 3.09Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.43Å; L15-L19 PolarHBondContact O-N 3.3Å; N16-L19 CarbonylContact O-C 3.2Å; N16-L19 PolarHBondContact O-N 2.87Å; D17-L19 VanDerWaalsContact C-N 3.3Å; D17-L19 PolarHBondContact O-N 3.05Å; L19-D21 VanDerWaalsContact C-N 3.33Å; L19-R22 CarbonylContact C-O 3.56Å; L19-R22 WeakPolarHBondContact CA-O 3.32Å; L19-I25 HydrophobicContact CD2-CD1 4.28Å; L19-H51 HydrophobicContact CB-CB 4.15Å; L19-R54 PolarHBondContact O-NH2 3.13Å; L19-W55 HydrophobicContact CD1-CB 3.66Å; L19-W55 HydrophobicContact CD1-CD2 3.81Å; L19-W55 HydrophobicContact CD1-CE3 4.06Å; L19-W55 HydrophobicContact CD1-CG 3.64Å; L19-W55 HydrophobicContact CD2-CB 4.41Å; L19-W55 HydrophobicContact CD2-CG 4.06Å
20S87.8Confident84.1Confident50 Ų5059.7 Ų59.735%0.3532%0.324SS..THydrogen-bonded Turntrans-64.7-44.4170.469.70000110.2N16 D17N16-S20 PolarHBondContact O-N 3.07Å; N16-S20 VanDerWaalsContact O-N 3.15Å; D17-S20 PolarHBondContact O-N 2.96Å; D17-S20 PolarHBondContact O-OG 3.26Å
21D86.1Confident84.6Confident142 Ų14256.3 Ų56.376%0.75930%0.301SS*.SBendtrans-101.2-6.4-173.4-56.5-12.5000112.1L19L19-D21 VanDerWaalsContact C-N 3.33Å
22R84.7Confident85Confident111 Ų11157.6 Ų57.642%0.41931%0.306SS..  trans-130.2135.7-175.5-60.9-179.8-178.684.21.5111.4F18 L19F18-R22 VanDerWaalsContact CE2-CZ 3.47Å; L19-R22 CarbonylContact C-O 3.56Å; L19-R22 WeakPolarHBondContact CA-O 3.32Å
23S85.4Confident85.1Confident73 Ų7356.5 Ų56.551%0.5130%0.3SS..SBendtrans-81.7-23.3175.8-60.80000113.1
24Y86.6Confident85.3Confident32 Ų3250.2 Ų50.213%0.12527%0.273CS..SBendtrans-139.8164.3-175.4-59.1-72.4000110.8F28 P30 D34 H58 I59Y24-F28 WeakPolarHBondContact CE2-O 3.18Å; Y24-P30 HydrophobicContact CD1-CB 4.21Å; Y24-P30 HydrophobicContact CD1-CG 4.3Å; Y24-P30 HydrophobicContact CE1-CB 3.8Å; Y24-P30 HydrophobicContact CE1-CG 3.45Å; Y24-P30 VanDerWaalsContact CE1-CG 3.45Å; Y24-P30 VanDerWaalsContact CZ-CD 3.47Å; Y24-P30 WeakPolarHBondContact OH-CD 3.44Å; Y24-D34 WeakPolarHBondContact CA-OD1 3.36Å; Y24-H58 AromaticContact CE1-CD2 3.58Å; Y24-H58 AromaticContact CE1-NE2 3.51Å; Y24-H58 AromaticContact CZ-NE2 3.58Å; Y24-H58 PolarHBondContact OH-NE2 3.48Å; Y24-I59 HydrophobicContact CD1-CD1 4.22Å; Y24-I59 HydrophobicContact CE1-CD1 4.26Å
25I84.7Confident85.4Confident10 Ų1048.9 Ų48.95%0.05127%0.265CS..SBendtrans-67.9-38.6177.9-57.8-59.8000111.5F3 L15 L19 A33 D34 V37 W55 Y79F3-I25 HydrophobicContact CE2-CD1 3.92Å; F3-I25 HydrophobicContact CE2-CG2 3.94Å; F3-I25 HydrophobicContact CZ-CD1 3.71Å; F3-I25 HydrophobicContact CZ-CG2 4.25Å; L15-I25 HydrophobicContact CD1-CD1 3.75Å; L19-I25 HydrophobicContact CD2-CD1 4.28Å; I25-A33 HydrophobicContact CB-CB 4.06Å; I25-A33 HydrophobicContact CG2-CB 3.92Å; I25-D34 HydrophobicContact CG1-CB 4.46Å; I25-D34 WeakPolarHBondContact CG1-OD1 3.21Å; I25-D34 PolarHBondContact N-OD1 2.79Å; I25-V37 HydrophobicContact CD1-CB 4.28Å; I25-V37 HydrophobicContact CD1-CG1 4.15Å; I25-V37 HydrophobicContact CD1-CG2 4.01Å; I25-V37 HydrophobicContact CG1-CB 4.14Å; I25-V37 HydrophobicContact CG1-CG2 3.84Å; I25-V37 HydrophobicContact CG2-CG2 4.07Å; I25-W55 HydrophobicContact CD1-CZ2 4.07Å; I25-W55 HydrophobicContact CG1-CZ2 3.83Å; I25-Y79 HydrophobicContact CG2-CD1 3.97Å; I25-Y79 HydrophobicContact CG2-CG 3.99Å
26E81.2Confident85.5Confident76 Ų7649.2 Ų49.236%0.35527%0.267SS..SBendtrans-138.7134.2177.7-169.9172.3-162.400110.3A33 R74E26-A33 HydrophobicContact CB-CB 3.88Å; E26-R74 IonicContact OE1-NH1 3.51Å
27G81.6Confident85.3Confident55 Ų5548.5 Ų48.557%0.56726%0.263SS*.SBendtrans68.5-153.217800000114.9
28F82.8Confident85.3Confident199 Ų19944.1 Ų44.187%0.87324%0.24SC*.SBendtrans-117.66.5-174.7-59.3-76.9000113.6Y24Y24-F28 WeakPolarHBondContact CE2-O 3.18Å
29V86.1Confident85.2Confident85 Ų8547 Ų4752%0.51526%0.256SS..SBendtrans-136148.1-173.8179.60000108.1S31 P70V29-S31 PolarHBondContact O-N 2.81Å; V29-P70 HydrophobicContact CG1-CG 4.3Å
30P86.2Confident85Confident10 Ų1048.8 Ų48.87%0.06527%0.267CS..  trans-57.3130.6176.4-12.621.3000110.6Y24 I59 Y62 L69 P70Y24-P30 HydrophobicContact CD1-CB 4.21Å; Y24-P30 HydrophobicContact CD1-CG 4.3Å; Y24-P30 HydrophobicContact CE1-CB 3.8Å; Y24-P30 HydrophobicContact CE1-CG 3.45Å; Y24-P30 VanDerWaalsContact CE1-CG 3.45Å; Y24-P30 VanDerWaalsContact CZ-CD 3.47Å; Y24-P30 WeakPolarHBondContact OH-CD 3.44Å; P30-I59 HydrophobicContact CB-CD1 4.18Å; P30-Y62 HydrophobicContact CB-CD2 4.49Å; P30-Y62 HydrophobicContact CG-CD2 4.27Å; P30-Y62 HydrophobicContact CG-CE1 4.29Å; P30-Y62 HydrophobicContact CG-CE2 3.99Å; P30-L69 HydrophobicContact CB-CD1 4.3Å; P30-L69 HydrophobicContact CB-CD2 4.03Å; P30-P70 WeakPolarHBondContact O-CD 3.3Å
31S87.7Confident84.6Confident9 Ų946.9 Ų46.96%0.06325%0.252CS..  trans-131.6171.9-169.570.70000112.9V29 A33 D34 V35 P70V29-S31 PolarHBondContact O-N 2.81Å; S31-A33 PolarHBondContact O-N 3.23Å; S31-A33 WeakPolarHBondContact OG-CB 3.42Å; S31-A33 PolarHBondContact OG-N 3.26Å; S31-D34 PolarHBondContact N-OD2 3.11Å; S31-D34 WeakPolarHBondContact O-CB 3.3Å; S31-D34 PolarHBondContact O-N 2.92Å; S31-D34 VanDerWaalsContact O-N 3.08Å; S31-D34 PolarHBondContact OG-OD2 3.5Å; S31-V35 PolarHBondContact O-N 3.4Å; S31-P70 CarbonylContact C-O 3.57Å; S31-P70 WeakPolarHBondContact CA-O 3.39Å; S31-P70 WeakPolarHBondContact CB-O 3.5Å
32Q86.1Confident83.9Confident30 Ų3045.5 Ų45.514%0.1425%0.254CS..Hα-helixtrans-59.7-22.4171.4-66.9-57.6-35.900113.4V35 A36 K66 L69 P70 G71 K73Q32-V35 PolarHBondContact O-N 3.06Å; Q32-A36 PolarHBondContact O-N 3.22Å; Q32-K66 PolarHBondContact NE2-O 3.17Å; Q32-L69 PolarHBondContact NE2-O 3.21Å; Q32-P70 PolarHBondContact N-O 2.92Å; Q32-G71 WeakPolarHBondContact CG-O 3.03Å; Q32-K73 HydrophobicContact CB-CB 4.31Å
33A83.6Confident83.5Confident0 Ų042.8 Ų42.80%026%0.255CS..Hα-helixtrans-66.5-42.1173.300000111.5I25 E26 S31 V35 A36 V37 Y79I25-A33 HydrophobicContact CB-CB 4.06Å; I25-A33 HydrophobicContact CG2-CB 3.92Å; E26-A33 HydrophobicContact CB-CB 3.88Å; S31-A33 PolarHBondContact O-N 3.23Å; S31-A33 WeakPolarHBondContact OG-CB 3.42Å; S31-A33 PolarHBondContact OG-N 3.26Å; A33-V35 VanDerWaalsContact C-N 3.32Å; A33-V35 PolarHBondContact O-N 3.31Å; A33-A36 WeakPolarHBondContact O-CB 3.45Å; A33-A36 PolarHBondContact O-N 3.47Å; A33-V37 PolarHBondContact O-N 3.48Å; A33-V37 VanDerWaalsContact O-N 3.11Å; A33-Y79 HydrophobicContact CB-CD1 3.86Å; A33-Y79 HydrophobicContact CB-CE1 3.28Å; A33-Y79 HydrophobicContact CB-CE2 4.09Å; A33-Y79 HydrophobicContact CB-CG 4.49Å
34D86.7Confident83.3Confident0 Ų043.4 Ų43.40%026%0.257CS..Hα-helixtrans-64.3-39.9176.5-59.8-84.8000111.4Y24 I25 S31 A36 V37 F38 W55 I59Y24-D34 WeakPolarHBondContact CA-OD1 3.36Å; I25-D34 HydrophobicContact CG1-CB 4.46Å; I25-D34 WeakPolarHBondContact CG1-OD1 3.21Å; I25-D34 PolarHBondContact N-OD1 2.79Å; S31-D34 PolarHBondContact N-OD2 3.11Å; S31-D34 WeakPolarHBondContact O-CB 3.3Å; S31-D34 PolarHBondContact O-N 2.92Å; S31-D34 VanDerWaalsContact O-N 3.08Å; S31-D34 PolarHBondContact OG-OD2 3.5Å; D34-A36 VanDerWaalsContact C-N 3.32Å; D34-A36 PolarHBondContact O-N 3.04Å; D34-V37 PolarHBondContact O-N 3.1Å; D34-F38 WeakPolarHBondContact O-CB 3.42Å; D34-F38 PolarHBondContact O-N 3.06Å; D34-W55 HydrophobicContact CB-CZ2 4.11Å; D34-W55 PolarHBondContact OD1-NE1 3.16Å; D34-I59 HydrophobicContact CB-CD1 3.58Å; D34-I59 HydrophobicContact CB-CG1 3.98Å; D34-I59 HydrophobicContact CB-CG2 4.4Å
35V86.6Confident83.1Confident9 Ų942.2 Ų42.26%0.05525%0.253CS..Hα-helixtrans-62.5-40.5174.9-178.70000110.9S31 Q32 A33 F38 D39 K66 L69S31-V35 PolarHBondContact O-N 3.4Å; Q32-V35 PolarHBondContact O-N 3.06Å; A33-V35 VanDerWaalsContact C-N 3.32Å; A33-V35 PolarHBondContact O-N 3.31Å; V35-F38 PolarHBondContact O-N 3.36Å; V35-D39 WeakPolarHBondContact O-CB 3.14Å; V35-D39 PolarHBondContact O-N 2.99Å; V35-K66 HydrophobicContact CG1-CB 4.27Å; V35-K66 HydrophobicContact CG2-CB 4.1Å; V35-L69 HydrophobicContact CG2-CD1 3.68Å
36A84.6Confident82.8Confident7 Ų744.9 Ų44.96%0.05827%0.271CS..Hα-helixtrans-62.3-45.1177.700000112.6Q32 A33 D34 V40 K73 Y79Q32-A36 PolarHBondContact O-N 3.22Å; A33-A36 WeakPolarHBondContact O-CB 3.45Å; A33-A36 PolarHBondContact O-N 3.47Å; D34-A36 VanDerWaalsContact C-N 3.32Å; D34-A36 PolarHBondContact O-N 3.04Å; A36-V40 VanDerWaalsContact O-CG2 3.24Å; A36-V40 WeakPolarHBondContact O-CG2 3.27Å; A36-K73 HydrophobicContact CB-CG 3.9Å; A36-Y79 HydrophobicContact CB-CE2 4.27Å
37V83.7Confident82.8Confident0 Ų045 Ų450%029%0.286CS..Hα-helixtrans-70.1-37.8177.61790000110.7F3 L6 L15 I25 A33 D34 V40 L41 W55 L76F3-V37 HydrophobicContact CD2-CG2 4.22Å; F3-V37 HydrophobicContact CE2-CG2 4.05Å; L6-V37 HydrophobicContact CD1-CG1 3.77Å; L15-V37 HydrophobicContact CD1-CG1 4.11Å; L15-V37 HydrophobicContact CD2-CG1 4.08Å; I25-V37 HydrophobicContact CD1-CB 4.28Å; I25-V37 HydrophobicContact CD1-CG1 4.15Å; I25-V37 HydrophobicContact CD1-CG2 4.01Å; I25-V37 HydrophobicContact CG1-CB 4.14Å; I25-V37 HydrophobicContact CG1-CG2 3.84Å; I25-V37 HydrophobicContact CG2-CG2 4.07Å; A33-V37 PolarHBondContact O-N 3.48Å; A33-V37 VanDerWaalsContact O-N 3.11Å; D34-V37 PolarHBondContact O-N 3.1Å; V37-V40 PolarHBondContact O-N 2.9Å; V37-L41 HydrophobicContact CG1-CD1 4.19Å; V37-L41 PolarHBondContact O-N 2.98Å; V37-W55 HydrophobicContact CB-CH2 3.77Å; V37-W55 HydrophobicContact CB-CZ2 4.05Å; V37-W55 HydrophobicContact CG1-CH2 3.48Å; V37-W55 VanDerWaalsContact CG1-CH2 3.48Å; V37-W55 HydrophobicContact CG1-CZ2 4.07Å; V37-W55 HydrophobicContact CG1-CZ3 4.17Å; V37-L76 HydrophobicContact CG2-CD2 3.94Å
38F86.1Confident82.9Confident14 Ų1449.7 Ų49.76%0.06130%0.298CS..Hα-helixtrans-67.1-42.4178.9-177.8-91.3000112.4D34 V35 V40 L41 W55 Y56 I59 K60D34-F38 WeakPolarHBondContact O-CB 3.42Å; D34-F38 PolarHBondContact O-N 3.06Å; V35-F38 PolarHBondContact O-N 3.36Å; F38-V40 PolarHBondContact O-N 3.38Å; F38-L41 CarbonylContact O-C 3.37Å; F38-L41 PolarHBondContact O-N 3.36Å; F38-W55 HydrophobicContact CB-CH2 4.08Å; F38-Y56 AromaticContact CD2-CD2 3.6Å; F38-Y56 HydrophobicContact CD2-CD2 3.6Å; F38-Y56 AromaticContact CD2-CE2 3.64Å; F38-Y56 HydrophobicContact CD2-CE2 3.64Å; F38-Y56 HydrophobicContact CD2-CG 4.34Å; F38-Y56 HydrophobicContact CE2-CD1 4.23Å; F38-Y56 AromaticContact CE2-CD2 3.48Å; F38-Y56 HydrophobicContact CE2-CD2 3.48Å; F38-Y56 VanDerWaalsContact CE2-CD2 3.48Å; F38-Y56 HydrophobicContact CE2-CE1 4.06Å; F38-Y56 AromaticContact CE2-CE2 3.25Å; F38-Y56 HydrophobicContact CE2-CE2 3.25Å; F38-Y56 AromaticContact CE2-CG 3.97Å; F38-Y56 HydrophobicContact CE2-CG 3.97Å; F38-Y56 AromaticContact CE2-CZ 3.58Å; F38-Y56 AromaticContact CZ-CE2 3.95Å; F38-Y56 HydrophobicContact CZ-CE2 3.95Å; F38-Y56 AromaticContact CZ-CZ 3.95Å; F38-I59 HydrophobicContact CB-CG2 3.78Å; F38-I59 HydrophobicContact CD1-CG2 4.49Å; F38-I59 HydrophobicContact CD2-CB 4.05Å; F38-I59 HydrophobicContact CD2-CG2 3.8Å; F38-I59 HydrophobicContact CG-CG2 3.77Å; F38-K60 HydrophobicContact CE2-CB 3.87Å; F38-K60 HydrophobicContact CZ-CB 3.86Å; F38-K60 HydrophobicContact CZ-CG 4.13Å
39D84.6Confident82.9Confident75 Ų7541.1 Ų41.140%0.40126%0.261SS..Hα-helixtrans-60.4-27.6177.8-75.7-23.7000112.3V35 K73V35-D39 WeakPolarHBondContact O-CB 3.14Å; V35-D39 PolarHBondContact O-N 2.99Å; D39-K73 IonicContact OD2-NZ 2.72Å; D39-K73 PolarHBondContact OD2-NZ 2.92Å
40V83Confident83Confident38 Ų3840.7 Ų40.723%0.2326%0.261CS..Hα-helixtrans-78.1-33.6177.5-179.40000111.2L6 A36 V37 F38 S42 L76L6-V40 HydrophobicContact CB-CG1 3.87Å; L6-V40 HydrophobicContact CD1-CB 4.15Å; L6-V40 HydrophobicContact CD1-CG1 3.97Å; A36-V40 VanDerWaalsContact O-CG2 3.24Å; A36-V40 WeakPolarHBondContact O-CG2 3.27Å; V37-V40 PolarHBondContact O-N 2.9Å; F38-V40 PolarHBondContact O-N 3.38Å; V40-S42 PolarHBondContact O-N 2.85Å; V40-S42 VanDerWaalsContact O-N 3.17Å; V40-L76 HydrophobicContact CB-CD1 4.45Å; V40-L76 HydrophobicContact CG1-CD1 4.4Å; V40-L76 HydrophobicContact CG2-CD1 3.35Å; V40-L76 HydrophobicContact CG2-CD2 4Å; V40-L76 HydrophobicContact CG2-CG 4.17Å
41L79.7Confident83.1Confident10 Ų1043.2 Ų43.25%0.05227%0.272CS..  trans-83.583.5175.1-69.1164.6000109.1L6 L12 L15 V37 F38 A43 W55 Y56L6-L41 HydrophobicContact CB-CD2 4.22Å; L6-L41 WeakPolarHBondContact O-CD2 3.34Å; L12-L41 HydrophobicContact CD2-CD2 3.46Å; L12-L41 VanDerWaalsContact CD2-CD2 3.46Å; L15-L41 HydrophobicContact CD2-CD1 3.61Å; V37-L41 HydrophobicContact CG1-CD1 4.19Å; V37-L41 PolarHBondContact O-N 2.98Å; F38-L41 CarbonylContact O-C 3.37Å; F38-L41 PolarHBondContact O-N 3.36Å; L41-A43 PolarHBondContact O-N 3.29Å; L41-A43 VanDerWaalsContact O-N 3.13Å; L41-W55 HydrophobicContact CD1-CH2 4.19Å; L41-W55 HydrophobicContact CD1-CZ3 3.62Å; L41-Y56 HydrophobicContact CB-CD2 4.27Å; L41-Y56 HydrophobicContact CB-CE2 4.03Å; L41-Y56 WeakPolarHBondContact O-CE2 3.39Å
42S70.1Confident83Confident112 Ų11242.8 Ų42.878%0.78327%0.269SS*.  trans-66.8-11.8177.958.70000114V40V40-S42 PolarHBondContact O-N 2.85Å; V40-S42 VanDerWaalsContact O-N 3.17Å
43A77Confident83.1Confident55 Ų5543.8 Ų43.846%0.45528%0.275SS..SBendtrans-137.8151.4-175.800000111L41L41-A43 PolarHBondContact O-N 3.29Å; L41-A43 VanDerWaalsContact O-N 3.13Å
44P80.8Confident83.4Confident85 Ų8549.5 Ų49.555%0.55230%0.296SS*.PPolyproline II helixtrans-61.8136.8176.225.8-33.3000110.9Y56P44-Y56 HydrophobicContact CB-CD1 3.99Å; P44-Y56 HydrophobicContact CB-CE1 3.77Å
45P81.5Confident83.6Confident7 Ų749.6 Ų49.65%0.04530%0.297CS..PPolyproline II helixtrans-58.2151.7171.3-23.233.3000111.7L12 A52L12-P45 HydrophobicContact CD2-CB 4.48Å; L12-P45 HydrophobicContact CD2-CG 4.47Å; P45-A52 HydrophobicContact CB-CB 4.16Å; P45-A52 HydrophobicContact CG-CB 4.05Å
46P79.9Confident83.7Confident66 Ų6650 Ų5043%0.42930%0.297SS..PPolyproline II helixtrans-60.4152175.824.6-33000111.7D48 L49P46-D48 PolarHBondContact O-N 2.83Å; P46-D48 VanDerWaalsContact O-N 3.07Å; P46-L49 HydrophobicContact CG-CD1 3.99Å; P46-L49 HydrophobicContact CG-CG 4.29Å; P46-L49 PolarHBondContact O-N 3.44Å
47A80.5Confident83.9Confident80 Ų8053.6 Ų53.666%0.66132%0.315SS*.THydrogen-bonded Turntrans-60.4-21.1-176.400000114.1L49 L53A47-L49 PolarHBondContact O-N 3.31Å; A47-L53 HydrophobicContact CB-CD1 4.45Å
48D82.9Confident84.1Confident153 Ų15356.7 Ų56.782%0.81833%0.33SS*.THydrogen-bonded Turntrans-65.2-19.7174.8-58.9-26.9000112.7P46P46-D48 PolarHBondContact O-N 2.83Å; P46-D48 VanDerWaalsContact O-N 3.07Å
49L84Confident84.2Confident19 Ų1956.2 Ų56.210%0.09933%0.328CS..  trans-105.970.4178.4-59.8175.6000110L12 K13 N16 P46 A47 H51 A52 L53L12-L49 HydrophobicContact CB-CD1 3.65Å; K13-L49 HydrophobicContact CG-CD2 4.09Å; N16-L49 HydrophobicContact CB-CB 4.17Å; N16-L49 HydrophobicContact CB-CD2 3.81Å; N16-L49 HydrophobicContact CB-CG 4.45Å; N16-L49 WeakPolarHBondContact OD1-CA 3.4Å; P46-L49 HydrophobicContact CG-CD1 3.99Å; P46-L49 HydrophobicContact CG-CG 4.29Å; P46-L49 PolarHBondContact O-N 3.44Å; A47-L49 PolarHBondContact O-N 3.31Å; L49-H51 VanDerWaalsContact C-N 3.32Å; L49-H51 PolarHBondContact O-N 3.26Å; L49-A52 HydrophobicContact CB-CB 4.18Å; L49-A52 PolarHBondContact O-N 3.26Å; L49-L53 WeakPolarHBondContact O-CB 3.27Å; L49-L53 PolarHBondContact O-N 2.9Å
50C87.3Confident84.4Confident75 Ų7557.9 Ų57.951%0.50733%0.331SS..Hα-helixtrans-60.5-34.8-170.761.90000113.9R54C50-R54 VanDerWaalsContact O-CB 3.29Å; C50-R54 WeakPolarHBondContact O-CB 3.21Å; C50-R54 PolarHBondContact O-N 3.23Å
51H88.7Confident84.7Confident64 Ų6459.9 Ų59.930%0.29635%0.347SS..Hα-helixtrans-73.3-44179.9-55-56000111.4N16 L19 L49 R54 W55N16-H51 WeakPolarHBondContact OD1-CB 2.92Å; N16-H51 PolarHBondContact OD1-N 3.46Å; N16-H51 VanDerWaalsContact OD1-N 3.11Å; L19-H51 HydrophobicContact CB-CB 4.15Å; L49-H51 VanDerWaalsContact C-N 3.32Å; L49-H51 PolarHBondContact O-N 3.26Å; H51-R54 PolarHBondContact O-N 3.11Å; H51-W55 WeakPolarHBondContact O-CB 3.49Å; H51-W55 PolarHBondContact O-N 3.47Å
52A86.1Confident84.9Confident0 Ų062.8 Ų62.80%036%0.358CS..Hα-helixtrans-64.9-40.8175.300000111.7N16 P45 L49 W55 Y56N16-A52 HydrophobicContact CB-CB 4.1Å; N16-A52 PolarHBondContact OD1-N 3.37Å; P45-A52 HydrophobicContact CB-CB 4.16Å; P45-A52 HydrophobicContact CG-CB 4.05Å; L49-A52 HydrophobicContact CB-CB 4.18Å; L49-A52 PolarHBondContact O-N 3.26Å; A52-W55 PolarHBondContact O-N 3.34Å; A52-Y56 VanDerWaalsContact O-CB 3.27Å; A52-Y56 WeakPolarHBondContact O-CB 3.37Å; A52-Y56 PolarHBondContact O-N 3.35Å
53L87.1Confident85.3Confident51 Ų5162.1 Ų62.127%0.26734%0.343SS..Hα-helixtrans-65.6-43.3177.1-174154.1000111.8A47 L49 Y56 N57A47-L53 HydrophobicContact CB-CD1 4.45Å; L49-L53 WeakPolarHBondContact O-CB 3.27Å; L49-L53 PolarHBondContact O-N 2.9Å; L53-Y56 PolarHBondContact O-N 3.38Å; L53-N57 WeakPolarHBondContact CD2-ND2 3.36Å; L53-N57 PolarHBondContact O-N 2.99Å; L53-N57 PolarHBondContact O-ND2 2.95Å
54R90.2Very high85.5Confident119 Ų11965.2 Ų65.245%0.44936%0.361SS..Hα-helixtrans-55.7-52.4174.1177.5-168.368.9177.8-2.3110.6L19 C50 H51 N57 H58L19-R54 PolarHBondContact O-NH2 3.13Å; C50-R54 VanDerWaalsContact O-CB 3.29Å; C50-R54 WeakPolarHBondContact O-CB 3.21Å; C50-R54 PolarHBondContact O-N 3.23Å; H51-R54 PolarHBondContact O-N 3.11Å; R54-N57 PolarHBondContact O-N 3.49Å; R54-H58 WeakPolarHBondContact O-CB 3.24Å; R54-H58 PolarHBondContact O-N 2.97Å
55W90.8Very high85.6Confident3 Ų366.9 Ų66.91%0.01136%0.361CS..Hα-helixtrans-62.1-45179.2169.585.7000111.6L15 L19 I25 D34 V37 F38 L41 H51 A52 N57 H58 I59L15-W55 HydrophobicContact CD2-CZ3 4.23Å; L19-W55 HydrophobicContact CD1-CB 3.66Å; L19-W55 HydrophobicContact CD1-CD2 3.81Å; L19-W55 HydrophobicContact CD1-CE3 4.06Å; L19-W55 HydrophobicContact CD1-CG 3.64Å; L19-W55 HydrophobicContact CD2-CB 4.41Å; L19-W55 HydrophobicContact CD2-CG 4.06Å; I25-W55 HydrophobicContact CD1-CZ2 4.07Å; I25-W55 HydrophobicContact CG1-CZ2 3.83Å; D34-W55 HydrophobicContact CB-CZ2 4.11Å; D34-W55 PolarHBondContact OD1-NE1 3.16Å; V37-W55 HydrophobicContact CB-CH2 3.77Å; V37-W55 HydrophobicContact CB-CZ2 4.05Å; V37-W55 HydrophobicContact CG1-CH2 3.48Å; V37-W55 VanDerWaalsContact CG1-CH2 3.48Å; V37-W55 HydrophobicContact CG1-CZ2 4.07Å; V37-W55 HydrophobicContact CG1-CZ3 4.17Å; F38-W55 HydrophobicContact CB-CH2 4.08Å; L41-W55 HydrophobicContact CD1-CH2 4.19Å; L41-W55 HydrophobicContact CD1-CZ3 3.62Å; H51-W55 WeakPolarHBondContact O-CB 3.49Å; H51-W55 PolarHBondContact O-N 3.47Å; A52-W55 PolarHBondContact O-N 3.34Å; W55-N57 PolarHBondContact O-N 3.35Å; W55-H58 WeakPolarHBondContact O-CB 3.26Å; W55-H58 PolarHBondContact O-N 3.46Å; W55-H58 VanDerWaalsContact O-N 3.14Å; W55-I59 HydrophobicContact CD2-CG1 4.15Å; W55-I59 HydrophobicContact CG-CG1 4.3Å; W55-I59 HydrophobicContact CZ2-CG1 4Å; W55-I59 WeakPolarHBondContact O-CG1 3.18Å; W55-I59 PolarHBondContact O-N 3.35Å
56Y88.6Confident85.4Confident17 Ų1770.4 Ų70.47%0.06738%0.376CS..Hα-helixtrans-59-45.8179.2-177.1-91.4000112.1F38 L41 P44 A52 L53 H58 K60F38-Y56 AromaticContact CD2-CD2 3.6Å; F38-Y56 HydrophobicContact CD2-CD2 3.6Å; F38-Y56 AromaticContact CD2-CE2 3.64Å; F38-Y56 HydrophobicContact CD2-CE2 3.64Å; F38-Y56 HydrophobicContact CD2-CG 4.34Å; F38-Y56 HydrophobicContact CE2-CD1 4.23Å; F38-Y56 AromaticContact CE2-CD2 3.48Å; F38-Y56 HydrophobicContact CE2-CD2 3.48Å; F38-Y56 VanDerWaalsContact CE2-CD2 3.48Å; F38-Y56 HydrophobicContact CE2-CE1 4.06Å; F38-Y56 AromaticContact CE2-CE2 3.25Å; F38-Y56 HydrophobicContact CE2-CE2 3.25Å; F38-Y56 AromaticContact CE2-CG 3.97Å; F38-Y56 HydrophobicContact CE2-CG 3.97Å; F38-Y56 AromaticContact CE2-CZ 3.58Å; F38-Y56 AromaticContact CZ-CE2 3.95Å; F38-Y56 HydrophobicContact CZ-CE2 3.95Å; F38-Y56 AromaticContact CZ-CZ 3.95Å; L41-Y56 HydrophobicContact CB-CD2 4.27Å; L41-Y56 HydrophobicContact CB-CE2 4.03Å; L41-Y56 WeakPolarHBondContact O-CE2 3.39Å; P44-Y56 HydrophobicContact CB-CD1 3.99Å; P44-Y56 HydrophobicContact CB-CE1 3.77Å; A52-Y56 VanDerWaalsContact O-CB 3.27Å; A52-Y56 WeakPolarHBondContact O-CB 3.37Å; A52-Y56 PolarHBondContact O-N 3.35Å; L53-Y56 PolarHBondContact O-N 3.38Å; Y56-H58 VanDerWaalsContact C-N 3.33Å; Y56-H58 PolarHBondContact O-N 3.47Å; Y56-K60 HydrophobicContact CE1-CD 4.34Å; Y56-K60 WeakPolarHBondContact O-CB 3.39Å; Y56-K60 PolarHBondContact O-N 3.2Å
57N89.7Confident85.2Confident82 Ų8274.3 Ų74.344%0.43939%0.393SS..Hα-helixtrans-66-37.5177.1-74.2-25.3000112.4L53 R54 W55 S61L53-N57 WeakPolarHBondContact CD2-ND2 3.36Å; L53-N57 PolarHBondContact O-N 2.99Å; L53-N57 PolarHBondContact O-ND2 2.95Å; R54-N57 PolarHBondContact O-N 3.49Å; W55-N57 PolarHBondContact O-N 3.35Å; N57-S61 PolarHBondContact O-N 3.44Å
58H88.4Confident85.2Confident65 Ų6575.3 Ų75.330%0.30140%0.396SS..Hα-helixtrans-62.4-54.4175.4-17464.7000111Y24 R54 W55 Y56 K60 S61 Y62Y24-H58 AromaticContact CE1-CD2 3.58Å; Y24-H58 AromaticContact CE1-NE2 3.51Å; Y24-H58 AromaticContact CZ-NE2 3.58Å; Y24-H58 PolarHBondContact OH-NE2 3.48Å; R54-H58 WeakPolarHBondContact O-CB 3.24Å; R54-H58 PolarHBondContact O-N 2.97Å; W55-H58 WeakPolarHBondContact O-CB 3.26Å; W55-H58 PolarHBondContact O-N 3.46Å; W55-H58 VanDerWaalsContact O-N 3.14Å; Y56-H58 VanDerWaalsContact C-N 3.33Å; Y56-H58 PolarHBondContact O-N 3.47Å; H58-K60 VanDerWaalsContact C-N 3.31Å; H58-K60 PolarHBondContact O-N 2.78Å; H58-S61 WeakPolarHBondContact O-CB 3.39Å; H58-S61 PolarHBondContact O-N 2.9Å; H58-S61 PolarHBondContact O-OG 3.28Å; H58-Y62 AromaticContact CE1-CE2 3.48Å; H58-Y62 VanDerWaalsContact CE1-CE2 3.48Å; H58-Y62 WeakPolarHBondContact CE1-CE2 3.41Å; H58-Y62 AromaticContact ND1-CE2 3.92Å; H58-Y62 AromaticContact NE2-CE2 3.56Å; H58-Y62 VanDerWaalsContact O-CD2 3.22Å; H58-Y62 WeakPolarHBondContact O-CD2 3.33Å
59I87.9Confident85.1Confident5 Ų569 Ų693%0.02636%0.362CS..Hα-helixtrans-64.3-34.6179.8-60.2-54.6000112.2Y24 P30 D34 F38 W55 S61 Y62 Q63Y24-I59 HydrophobicContact CD1-CD1 4.22Å; Y24-I59 HydrophobicContact CE1-CD1 4.26Å; P30-I59 HydrophobicContact CB-CD1 4.18Å; D34-I59 HydrophobicContact CB-CD1 3.58Å; D34-I59 HydrophobicContact CB-CG1 3.98Å; D34-I59 HydrophobicContact CB-CG2 4.4Å; F38-I59 HydrophobicContact CB-CG2 3.78Å; F38-I59 HydrophobicContact CD1-CG2 4.49Å; F38-I59 HydrophobicContact CD2-CB 4.05Å; F38-I59 HydrophobicContact CD2-CG2 3.8Å; F38-I59 HydrophobicContact CG-CG2 3.77Å; W55-I59 HydrophobicContact CD2-CG1 4.15Å; W55-I59 HydrophobicContact CG-CG1 4.3Å; W55-I59 HydrophobicContact CZ2-CG1 4Å; W55-I59 WeakPolarHBondContact O-CG1 3.18Å; W55-I59 PolarHBondContact O-N 3.35Å; I59-S61 PolarHBondContact O-N 3.39Å; I59-Y62 WeakPolarHBondContact O-CA 3.45Å; I59-Y62 PolarHBondContact O-N 2.85Å; I59-Q63 PolarHBondContact O-N 3.45Å
60K88.4Confident84.9Confident109 Ų10971.8 Ų71.847%0.47438%0.381SS..Hα-helixtrans-56.6-35.1173.3-172.8177.7-178-176.60112.5F38 Y56 H58 Y62 Q63F38-K60 HydrophobicContact CE2-CB 3.87Å; F38-K60 HydrophobicContact CZ-CB 3.86Å; F38-K60 HydrophobicContact CZ-CG 4.13Å; Y56-K60 HydrophobicContact CE1-CD 4.34Å; Y56-K60 WeakPolarHBondContact O-CB 3.39Å; Y56-K60 PolarHBondContact O-N 3.2Å; H58-K60 VanDerWaalsContact C-N 3.31Å; H58-K60 PolarHBondContact O-N 2.78Å; K60-Y62 VanDerWaalsContact C-N 3.26Å; K60-Y62 PolarHBondContact O-N 2.88Å; K60-Q63 VanDerWaalsContact O-CB 3.27Å; K60-Q63 WeakPolarHBondContact O-CB 3.28Å; K60-Q63 PolarHBondContact O-N 3.1Å
61S88.1Confident84.3Confident81 Ų8170.7 Ų70.757%0.56638%0.382SS*.Hα-helixtrans-66.6-27.4176.277.80000113.1N57 H58 I59N57-S61 PolarHBondContact O-N 3.44Å; H58-S61 WeakPolarHBondContact O-CB 3.39Å; H58-S61 PolarHBondContact O-N 2.9Å; H58-S61 PolarHBondContact O-OG 3.28Å; I59-S61 PolarHBondContact O-N 3.39Å
62Y84.5Confident83.6Confident71 Ų7170 Ų7028%0.27838%0.383SS..THydrogen-bonded Turntrans-88.70.9177.3-65.7-83.2000113.7P30 H58 I59 K60 S64 Q65 K66 L69P30-Y62 HydrophobicContact CB-CD2 4.49Å; P30-Y62 HydrophobicContact CG-CD2 4.27Å; P30-Y62 HydrophobicContact CG-CE1 4.29Å; P30-Y62 HydrophobicContact CG-CE2 3.99Å; H58-Y62 AromaticContact CE1-CE2 3.48Å; H58-Y62 VanDerWaalsContact CE1-CE2 3.48Å; H58-Y62 WeakPolarHBondContact CE1-CE2 3.41Å; H58-Y62 AromaticContact ND1-CE2 3.92Å; H58-Y62 AromaticContact NE2-CE2 3.56Å; H58-Y62 VanDerWaalsContact O-CD2 3.22Å; H58-Y62 WeakPolarHBondContact O-CD2 3.33Å; I59-Y62 WeakPolarHBondContact O-CA 3.45Å; I59-Y62 PolarHBondContact O-N 2.85Å; K60-Y62 VanDerWaalsContact C-N 3.26Å; K60-Y62 PolarHBondContact O-N 2.88Å; Y62-S64 PolarHBondContact O-N 3.28Å; Y62-Q65 CarbonylContact O-C 3.54Å; Y62-Q65 WeakPolarHBondContact O-CA 3.39Å; Y62-Q65 PolarHBondContact O-N 3.29Å; Y62-K66 PolarHBondContact O-N 3.36Å; Y62-L69 HydrophobicContact CD1-CD2 4.3Å
63Q79Confident83Confident97 Ų9775.5 Ų75.545%0.45341%0.406SS..G310 helixtrans-57.4-35.2-177-167.9176.316.100112.8I59 K60 Q65 K66I59-Q63 PolarHBondContact O-N 3.45Å; K60-Q63 VanDerWaalsContact O-CB 3.27Å; K60-Q63 WeakPolarHBondContact O-CB 3.28Å; K60-Q63 PolarHBondContact O-N 3.1Å; Q63-Q65 PolarHBondContact O-N 2.83Å; Q63-K66 WeakPolarHBondContact O-CG 3.3Å; Q63-K66 PolarHBondContact O-N 3.49Å
64S81.4Confident82.4Confident120 Ų12078.1 Ų78.184%0.83941%0.413SS*.G310 helixtrans-67.9-22.5175.7-53.90000113.5Y62Y62-S64 PolarHBondContact O-N 3.28Å
65Q82.6Confident81.2Confident120 Ų12076.9 Ų76.956%0.56142%0.42SS*.G310 helixtrans-113.814.7-177.8-64-180-1.700112.5Y62 Q63 N67 S68 L69Y62-Q65 CarbonylContact O-C 3.54Å; Y62-Q65 WeakPolarHBondContact O-CA 3.39Å; Y62-Q65 PolarHBondContact O-N 3.29Å; Q63-Q65 PolarHBondContact O-N 2.83Å; Q65-N67 PolarHBondContact O-N 2.83Å; Q65-S68 WeakPolarHBondContact O-CB 3.16Å; Q65-S68 PolarHBondContact O-N 3.21Å; Q65-L69 PolarHBondContact O-N 3.43Å
66K78.1Confident80Confident81 Ų8179.4 Ų79.435%0.35243%0.433SS..G310 helixtrans-55.4-27.8-175.169.2-178.1-173.2171.50114.3Q32 V35 Y62 Q63 S68Q32-K66 PolarHBondContact NE2-O 3.17Å; V35-K66 HydrophobicContact CG1-CB 4.27Å; V35-K66 HydrophobicContact CG2-CB 4.1Å; Y62-K66 PolarHBondContact O-N 3.36Å; Q63-K66 WeakPolarHBondContact O-CG 3.3Å; Q63-K66 PolarHBondContact O-N 3.49Å; K66-S68 VanDerWaalsContact C-N 3.34Å
67N74.9Confident78.7Confident149 Ų14979.9 Ų79.980%0.79744%0.444SS*.G310 helixtrans-80.4-14.6177.9-62.1-17000113.4Q65Q65-N67 PolarHBondContact O-N 2.83Å
68S80.3Confident77.6Confident101 Ų10181.2 Ų81.271%0.70645%0.447SS*.G310 helixtrans-98.8-3.7179.6-170.50000112.6Q65 K66Q65-S68 WeakPolarHBondContact O-CB 3.16Å; Q65-S68 PolarHBondContact O-N 3.21Å; K66-S68 VanDerWaalsContact C-N 3.34Å
69L81.9Confident76.6Confident21 Ų2178.5 Ų78.511%0.1143%0.434CS..SBendtrans-74.9138-179.6-65.6179.6000110.6P30 Q32 V35 Y62 Q65P30-L69 HydrophobicContact CB-CD1 4.3Å; P30-L69 HydrophobicContact CB-CD2 4.03Å; Q32-L69 PolarHBondContact NE2-O 3.21Å; V35-L69 HydrophobicContact CG2-CD1 3.68Å; Y62-L69 HydrophobicContact CD1-CD2 4.3Å; Q65-L69 PolarHBondContact O-N 3.43Å
70P78.3Confident75.6Confident76 Ų7678.8 Ų78.849%0.49444%0.438SS..  trans-67.1156.8178.629-36000112V29 P30 S31 Q32V29-P70 HydrophobicContact CG1-CG 4.3Å; P30-P70 WeakPolarHBondContact O-CD 3.3Å; S31-P70 CarbonylContact C-O 3.57Å; S31-P70 WeakPolarHBondContact CA-O 3.39Å; S31-P70 WeakPolarHBondContact CB-O 3.5Å; Q32-P70 PolarHBondContact N-O 2.92Å
71G75.8Confident74.2Confident52 Ų5275 Ų7554%0.53643%0.425SS..SBendtrans106.5173.9174.800000113.9Q32Q32-G71 WeakPolarHBondContact CG-O 3.03Å
72V72.8Confident72.5Confident51 Ų5176.2 Ų76.231%0.30943%0.431SS..  trans-113.5130.5-177179.10000108.2R74 Y79 L137V72-R74 HydrophobicContact CG1-CG 4.48Å; V72-R74 PolarHBondContact O-N 3.41Å; V72-R74 VanDerWaalsContact O-N 3.16Å; V72-Y79 PolarHBondContact O-OH 3.34Å; V72-L137 HydrophobicContact CB-CD1 4.14Å; V72-L137 HydrophobicContact CG1-CD1 3.35Å; V72-L137 HydrophobicContact CG1-CD2 4.43Å; V72-L137 HydrophobicContact CG2-CD1 3.64Å; V72-L137 HydrophobicContact CG2-CD2 3.91Å; V72-L137 HydrophobicContact CG2-CG 4.27Å
73K73.9Confident70.7Confident114 Ų11476.7 Ų76.750%0.49646%0.457SS..  trans-70.6107.8175.6-161.7177.3-169167.30109.7Q32 A36 D39Q32-K73 HydrophobicContact CB-CB 4.31Å; A36-K73 HydrophobicContact CB-CG 3.9Å; D39-K73 IonicContact OD2-NZ 2.72Å; D39-K73 PolarHBondContact OD2-NZ 2.92Å
74R74.3Confident69.2Low107 Ų10774 Ų7440%0.40445%0.448SS..  trans-102164.3176.4-59.4179.5-177.8156.51.9111.1E26 V72 Q78 Y79E26-R74 IonicContact OE1-NH1 3.51Å; V72-R74 HydrophobicContact CG1-CG 4.48Å; V72-R74 PolarHBondContact O-N 3.41Å; V72-R74 VanDerWaalsContact O-N 3.16Å; R74-Q78 HydrophobicContact CB-CB 4.45Å; R74-Y79 HydrophobicContact CB-CE1 4.3Å; R74-Y79 HydrophobicContact CB-CE2 3.73Å; R74-Y79 VanDerWaalsContact CB-OH 3.3Å; R74-Y79 WeakPolarHBondContact CB-OH 3.36Å; R74-Y79 PolarHBondContact N-OH 3.43Å; R74-Y79 WeakPolarHBondContact O-CE2 3.4Å
75P66.3Low67.4Low92 Ų9272.4 Ų72.460%0.59744%0.441SS*.  trans-62.8148.6172.324.5-34.5000112G77 Q78P75-G77 PolarHBondContact O-N 3.39Å; P75-Q78 HydrophobicContact CG-CB 4.46Å; P75-Q78 WeakPolarHBondContact O-CB 3.42Å; P75-Q78 PolarHBondContact O-N 3.4Å
76L64.7Low65.5Low57 Ų5769.3 Ų69.330%0.29843%0.429SS..G310 helixtrans-57.2-33.1-177.6-72.3151000113.9L6 V37 V40 Q78 Y79L6-L76 HydrophobicContact CD1-CD2 3.88Å; V37-L76 HydrophobicContact CG2-CD2 3.94Å; V40-L76 HydrophobicContact CB-CD1 4.45Å; V40-L76 HydrophobicContact CG1-CD1 4.4Å; V40-L76 HydrophobicContact CG2-CD1 3.35Å; V40-L76 HydrophobicContact CG2-CD2 4Å; V40-L76 HydrophobicContact CG2-CG 4.17Å; L76-Q78 PolarHBondContact O-N 3.39Å; L76-Y79 PolarHBondContact O-N 2.75Å; L76-Y79 VanDerWaalsContact O-O 3.13Å
77G62.2Low63.8Low27 Ų2769.1 Ų69.128%0.27844%0.442SS..G310 helixtrans-67.62.317400000114.5M1 P75M1-G77 CarbonylContact O-C 3.52Å; P75-G77 PolarHBondContact O-N 3.39Å
78Q66Low62.3Low109 Ų10966.7 Ų66.751%0.50943%0.433SS..G310 helixtrans-109.8-4.1171.7-156.1154.535.300112.6R74 P75 L76R74-Q78 HydrophobicContact CB-CB 4.45Å; P75-Q78 HydrophobicContact CG-CB 4.46Å; P75-Q78 WeakPolarHBondContact O-CB 3.42Å; P75-Q78 PolarHBondContact O-N 3.4Å; L76-Q78 PolarHBondContact O-N 3.39Å
79Y68.4Low60.2Low8 Ų866.4 Ų66.43%0.03143%0.431CS..SBendtrans-112.1143.9178.6-62-60.2000111.7G2 I25 A33 A36 V72 R74 L76G2-Y79 CarbonylContact C-O 3.56Å; G2-Y79 WeakPolarHBondContact CA-O 3.35Å; G2-Y79 PolarHBondContact N-O 3Å; I25-Y79 HydrophobicContact CG2-CD1 3.97Å; I25-Y79 HydrophobicContact CG2-CG 3.99Å; A33-Y79 HydrophobicContact CB-CD1 3.86Å; A33-Y79 HydrophobicContact CB-CE1 3.28Å; A33-Y79 HydrophobicContact CB-CE2 4.09Å; A33-Y79 HydrophobicContact CB-CG 4.49Å; A36-Y79 HydrophobicContact CB-CE2 4.27Å; V72-Y79 PolarHBondContact O-OH 3.34Å; R74-Y79 HydrophobicContact CB-CE1 4.3Å; R74-Y79 HydrophobicContact CB-CE2 3.73Å; R74-Y79 VanDerWaalsContact CB-OH 3.3Å; R74-Y79 WeakPolarHBondContact CB-OH 3.36Å; R74-Y79 PolarHBondContact N-OH 3.43Å; R74-Y79 WeakPolarHBondContact O-CE2 3.4Å; L76-Y79 PolarHBondContact O-N 2.75Å; L76-Y79 VanDerWaalsContact O-O 3.13Å
80G66.1Low58Low11 Ų1168.8 Ų68.811%0.11346%0.46CS..SBendtrans104.7-178.217700000114
81P59.2Low55.7Low30 Ų3071 Ų7120%0.19548%0.477CS..  trans-64.8146.6-167.86-4.2000112.7M1 V14 F18 G83 V84M1-P81 WeakPolarHBondContact CA-O 3.35Å; V14-P81 HydrophobicContact CG1-CG 4.25Å; F18-P81 HydrophobicContact CB-CG 4.3Å; F18-P81 HydrophobicContact CD2-CB 4Å; F18-P81 HydrophobicContact CD2-CG 3.61Å; F18-P81 HydrophobicContact CE2-CB 4.4Å; F18-P81 HydrophobicContact CE2-CG 4.35Å; F18-P81 HydrophobicContact CG-CG 4.34Å; P81-G83 PolarHBondContact O-N 3Å; P81-V84 HydrophobicContact CB-CG2 4.05Å; P81-V84 HydrophobicContact CG-CG2 3.58Å; P81-V84 WeakPolarHBondContact O-CG2 3.39Å
82P51.4Low53.9Low106 Ų10672.7 Ų72.769%0.68849%0.487SS*.THydrogen-bonded Turntrans-63.9124.9167.227.8-31.1000108.7M1M1-P82 HydrophobicContact CG-CB 4.34Å
83G46.9Very low52.4Low81 Ų8176.3 Ų76.384%0.83551%0.511SS*.THydrogen-bonded Turntrans113.5-11.617700000116.5P81P81-G83 PolarHBondContact O-N 3Å
84V47.2Very low50.5Low42 Ų4275.3 Ų75.326%0.25552%0.524SS..  trans-95.8120.3168.7-94.90000109.7M1 G2 V14 P81M1-V84 CarbonylContact C-O 3.58Å; M1-V84 PolarHBondContact N-O 3.03Å; G2-V84 PolarHBondContact N-O 2.61Å; G2-V84 WeakPolarHBondContact O-CB 3.45Å; G2-V84 WeakPolarHBondContact O-CG2 3.39Å; V14-V84 HydrophobicContact CG1-CB 4.38Å; V14-V84 HydrophobicContact CG1-CG1 3.98Å; V14-V84 HydrophobicContact CG1-CG2 3.98Å; V14-V84 HydrophobicContact CG2-CG1 4.2Å; P81-V84 HydrophobicContact CB-CG2 4.05Å; P81-V84 HydrophobicContact CG-CG2 3.58Å; P81-V84 WeakPolarHBondContact O-CG2 3.39Å
85A43.6Very low48.6Very low85 Ų8575 Ų7570%0.70255%0.545SS*.  trans-77.3136.5-179.400000110.3A87A85-A87 PolarHBondContact O-N 3.18Å
86D43.1Very low46.9Very low56 Ų5675.2 Ų75.230%0.29955%0.554SS.*  trans-64.8112.7171.3-175.11.4000109.2T88D86-T88 PolarHBondContact O-N 2.86Å; D86-T88 PolarHBondContact OD1-N 3.29Å; D86-T88 PolarHBondContact OD1-OG1 3.48Å; D86-T88 PolarHBondContact OD2-OG1 2.96Å
87A43.7Very low45.2Very low76 Ų7679.9 Ų79.963%0.62858%0.579SS**THydrogen-bonded Turntrans-81.76.7178.900000113.1A85A85-A87 PolarHBondContact O-N 3.18Å
88T42.8Very low43.9Very low98 Ų9886.1 Ų86.160%0.60161%0.606SS**THydrogen-bonded Turntrans-95.311.7176.860.80000114.9D86D86-T88 PolarHBondContact O-N 2.86Å; D86-T88 PolarHBondContact OD1-N 3.29Å; D86-T88 PolarHBondContact OD1-OG1 3.48Å; D86-T88 PolarHBondContact OD2-OG1 2.96Å
89S35.9Very low42.3Very low95 Ų9587.5 Ų87.566%0.66462%0.617SS**SBendtrans-140119.4161.3-79.10000110.3
90G34.8Very low41Very low71 Ų7194.2 Ų94.273%0.73265%0.654SS**  trans-56.5147173.700000111.8
91S30.9Very low39.6Very low122 Ų122100 Ų10085%0.85368%0.682SS**  trans60.994.2169.456.20000117.4
92A38.3Very low38.8Very low88 Ų88105.5 Ų105.573%0.72771%0.71SS**  trans-81164.2140.600000109.3
93P40.5Very low38.2Very low128 Ų128106.6 Ų106.683%0.83171%0.709SS**  -125.3135.380.624.8-8.2000109.9
94A33.7Very low38.7Very low93 Ų93107.6 Ų107.677%0.76970%0.695SS**  111.9131.562.300000106.8
95A34.5Very low39Very low101 Ų101112.8 Ų112.884%0.83572%0.72SS**  trans-69.1145.7-171.300000112.5
96A31.7Very low39.2Very low96 Ų96117.9 Ų117.979%0.79373%0.727SS**  152149110.100000109.8
97D27.4Very low39.6Very low154 Ų154117.5 Ų117.582%0.82474%0.737SS**  trans91.1125.8164.8-117.69000118.4D99D97-D99 PolarHBondContact O-N 3.08Å
98D36.9Very low39.4Very low158 Ų158119.8 Ų119.885%0.84575%0.748SS**  trans-5993.4159.7-172.534.7000106.8
99D31.4Very low38.9Very low138 Ų138122.8 Ų122.874%0.73876%0.76SS**  trans-141.2131.7159.5-135-11.2000111.1D97 D101D97-D99 PolarHBondContact O-N 3.08Å; D99-D101 VanDerWaalsContact C-N 3.31Å; D99-D101 PolarHBondContact O-N 2.84Å; D99-D101 VanDerWaalsContact O-N 3.1Å
100D41.1Very low39.5Very low149 Ų149126.4 Ų126.480%0.79777%0.767SS**  trans-84.665.9-166.4-164.812.8000109.1
101D37.6Very low39.7Very low134 Ų134131.6 Ų131.672%0.71777%0.772SS**  trans-109.780173.6-88.3-28.4000110.3D99 I103D99-D101 VanDerWaalsContact C-N 3.31Å; D99-D101 PolarHBondContact O-N 2.84Å; D99-D101 VanDerWaalsContact O-N 3.1Å; D101-I103 PolarHBondContact O-N 2.88Å
102D42.3Very low40.5Very low144 Ų144134.3 Ų134.377%0.7777%0.771SS**  trans-51.282.9147.7-164.314.2000108.4D104D102-D104 PolarHBondContact O-N 3.42Å
103I38.6Very low40.7Very low130 Ų130135.8 Ų135.867%0.66777%0.767SS**  trans-67.684160.9-67.7-179.8000106D101 L105D101-I103 PolarHBondContact O-N 2.88Å; I103-L105 HydrophobicContact CG2-CB 4.23Å; I103-L105 HydrophobicContact CG2-CD1 3.65Å; I103-L105 PolarHBondContact O-N 3.27Å
104D57.4Low41.2Very low101 Ų101134.5 Ų134.554%0.5476%0.757SS.*  trans-63.685.6157.8-177.613.4000108.2D102 F106 G107D102-D104 PolarHBondContact O-N 3.42Å; D104-F106 PolarHBondContact O-N 3.36Å; D104-F106 WeakPolarHBondContact OD1-CA 3.47Å; D104-F106 PolarHBondContact OD1-N 3.15Å; D104-G107 PolarHBondContact OD1-N 2.9Å
105L52.3Low41.9Very low152 Ų152136.9 Ų136.980%0.79675%0.752SS**THydrogen-bonded Turntrans-76.88.6171.8-144.877.1000112.2I103I103-L105 HydrophobicContact CG2-CB 4.23Å; I103-L105 HydrophobicContact CG2-CD1 3.65Å; I103-L105 PolarHBondContact O-N 3.27Å
106F49.2Very low42.8Very low191 Ų191134.3 Ų134.384%0.83873%0.731SS**THydrogen-bonded Turntrans-12450.6170.1-94.2-85.1000110.3D104D104-F106 PolarHBondContact O-N 3.36Å; D104-F106 WeakPolarHBondContact OD1-CA 3.47Å; D104-F106 PolarHBondContact OD1-N 3.15Å
107G50.7Low43.9Very low49 Ų49133.9 Ų133.951%0.50572%0.718SS.*  trans-51.3147.7168.300000113.2D104D104-G107 PolarHBondContact OD1-N 2.9Å
108S38.7Very low45.3Very low124 Ų124132.2 Ų132.287%0.86770%0.704SS**  trans9990.7168.2-50.50000115.5
109D33.7Very low46.3Very low161 Ų161129.7 Ų129.786%0.86169%0.689SS**  -168.1149.694.3-151.911.3000112.1
110E47.1Very low47.7Very low171 Ų171130.6 Ų130.680%0.79969%0.687SS**  trans-70.6155.8-178.6-119.1162.6160.800112.4
111E40.1Very low48.6Very low180 Ų180130.1 Ų130.184%0.84168%0.68SS**  trans87.5110.1163.2-55.7-162.8156.700120.4
112E46.9Very low49.5Very low178 Ų178129.6 Ų129.683%0.83267%0.673SS**  trans52.299.6135.7-151.8171.5-151.700119
113D44.1Very low50.3Low119 Ų119129.2 Ų129.264%0.63666%0.661SS**  trans-160.9107.9142.4-107.6-37.8000112.9E115 A116D113-E115 PolarHBondContact O-N 3.48Å; D113-A116 HydrophobicContact CB-CB 4.43Å; D113-A116 PolarHBondContact O-N 2.78Å
114T49.4Very low51.1Low101 Ų101129.1 Ų129.162%0.6266%0.661SS**Hα-helixtrans-62.8-6.2175.261.30000114.1T117 K118T114-T117 PolarHBondContact O-OG1 2.89Å; T114-T117 VanDerWaalsContact O-OG1 3.1Å; T114-K118 WeakPolarHBondContact O-CG 3.47Å
115E49.9Very low51.3Low144 Ų144127.3 Ų127.367%0.67366%0.66SS**Hα-helixtrans-87.4-30.6173.6-57.9-146.7143.600112.3D113 K118 L119D113-E115 PolarHBondContact O-N 3.48Å; E115-K118 PolarHBondContact O-N 2.84Å; E115-L119 WeakPolarHBondContact O-CB 3.45Å; E115-L119 PolarHBondContact O-N 3.02Å
116A52Low51.6Low47 Ų47124 Ų12439%0.38864%0.641SS.*Hα-helixtrans-72.2-31.117800000112.1D113 K120D113-A116 HydrophobicContact CB-CB 4.43Å; D113-A116 PolarHBondContact O-N 2.78Å; A116-K120 WeakPolarHBondContact O-CB 3.4Å; A116-K120 VanDerWaalsContact O-CG 3.26Å; A116-K120 WeakPolarHBondContact O-CG 3.29Å; A116-K120 PolarHBondContact O-N 3.29Å
117T54.7Low51.6Low86 Ų86122.3 Ų122.353%0.52863%0.63SS.*Hα-helixtrans-68.8-42.6172.9540000111.6T114 L119 K120 E121T114-T117 PolarHBondContact O-OG1 2.89Å; T114-T117 VanDerWaalsContact O-OG1 3.1Å; T117-L119 VanDerWaalsContact C-N 3.35Å; T117-L119 PolarHBondContact O-N 3.45Å; T117-K120 PolarHBondContact O-N 3.04Å; T117-E121 WeakPolarHBondContact O-CB 3.48Å; T117-E121 PolarHBondContact O-N 2.88Å
118K58.3Low52Low120 Ų120122.9 Ų122.952%0.52263%0.629SS.*Hα-helixtrans-63.9-38.5173.3-69.1176.7-174.2171.20112.2T114 E115 E121 Q122T114-K118 WeakPolarHBondContact O-CG 3.47Å; E115-K118 PolarHBondContact O-N 2.84Å; K118-E121 PolarHBondContact O-N 2.82Å; K118-Q122 WeakPolarHBondContact O-CB 3.22Å; K118-Q122 WeakPolarHBondContact O-CG 3.39Å; K118-Q122 PolarHBondContact O-N 3.05Å
119L56.6Low52.9Low104 Ų104119.6 Ų119.655%0.54561%0.61SS.*Hα-helixtrans-66.9-40.8175.4-160.788.7000111.1E115 T117 Q122 R123E115-L119 WeakPolarHBondContact O-CB 3.45Å; E115-L119 PolarHBondContact O-N 3.02Å; T117-L119 VanDerWaalsContact C-N 3.35Å; T117-L119 PolarHBondContact O-N 3.45Å; L119-Q122 PolarHBondContact O-N 3.21Å; L119-R123 WeakPolarHBondContact O-CB 3.2Å; L119-R123 WeakPolarHBondContact O-CG 3.33Å; L119-R123 PolarHBondContact O-N 2.64Å
120K60.6Low54.1Low157 Ų157118 Ų11868%0.68360%0.595SS**Hα-helixtrans-64.6-41.9174.2-76.2175.7-178.4-177.70111.6A116 T117 R123 L124A116-K120 WeakPolarHBondContact O-CB 3.4Å; A116-K120 VanDerWaalsContact O-CG 3.26Å; A116-K120 WeakPolarHBondContact O-CG 3.29Å; A116-K120 PolarHBondContact O-N 3.29Å; T117-K120 PolarHBondContact O-N 3.04Å; K120-R123 CarbonylContact O-C 3.53Å; K120-R123 PolarHBondContact O-N 3.07Å; K120-L124 WeakPolarHBondContact O-CB 3.39Å; K120-L124 PolarHBondContact O-N 3.42Å
121E60Low54.5Low140 Ų140117.4 Ų117.465%0.65459%0.59SS**Hα-helixtrans-63.8-43.8174.3-111.9-179.3168.600112.2T117 K118 R123 L124 A125T117-E121 WeakPolarHBondContact O-CB 3.48Å; T117-E121 PolarHBondContact O-N 2.88Å; K118-E121 PolarHBondContact O-N 2.82Å; E121-R123 VanDerWaalsContact C-N 3.31Å; E121-R123 PolarHBondContact O-N 3.14Å; E121-L124 PolarHBondContact O-N 3.04Å; E121-A125 WeakPolarHBondContact O-CB 3.47Å; E121-A125 PolarHBondContact O-N 2.87Å
122Q57.2Low55.2Low123 Ų123112.7 Ų112.758%0.57558%0.582SS**Hα-helixtrans-61.7-40.4174.1-75.9173.514.300111.2K118 L119 A125 E126K118-Q122 WeakPolarHBondContact O-CB 3.22Å; K118-Q122 WeakPolarHBondContact O-CG 3.39Å; K118-Q122 PolarHBondContact O-N 3.05Å; L119-Q122 PolarHBondContact O-N 3.21Å; Q122-A125 PolarHBondContact O-N 3.17Å; Q122-E126 WeakPolarHBondContact O-CB 3.26Å; Q122-E126 WeakPolarHBondContact O-CG 3.32Å; Q122-E126 PolarHBondContact O-N 2.86Å
123R58.2Low55.4Low135 Ų135112.5 Ų112.551%0.50958%0.578SS.*Hα-helixtrans-67.6-38.2174-70.9-60.7-169.5-172.42.3112.1L119 K120 E121 E126 Y127L119-R123 WeakPolarHBondContact O-CB 3.2Å; L119-R123 WeakPolarHBondContact O-CG 3.33Å; L119-R123 PolarHBondContact O-N 2.64Å; K120-R123 CarbonylContact O-C 3.53Å; K120-R123 PolarHBondContact O-N 3.07Å; E121-R123 VanDerWaalsContact C-N 3.31Å; E121-R123 PolarHBondContact O-N 3.14Å; R123-E126 WeakPolarHBondContact CD-OE2 3.48Å; R123-E126 IonicContact CZ-OE2 3.81Å; R123-E126 IonicContact NH1-OE2 2.85Å; R123-E126 PolarHBondContact NH1-OE2 2.96Å; R123-E126 PolarHBondContact O-N 3.03Å; R123-Y127 WeakPolarHBondContact O-CB 3.36Å; R123-Y127 VanDerWaalsContact O-CD2 3.28Å; R123-Y127 WeakPolarHBondContact O-CD2 3.35Å; R123-Y127 PolarHBondContact O-N 3.48Å
124L56.9Low55.7Low129 Ų129114.4 Ų114.468%0.67558%0.581SS**Hα-helixtrans-68.6-38.5177.5-140.474.9000111.2K120 E121 Y127 A128K120-L124 WeakPolarHBondContact O-CB 3.39Å; K120-L124 PolarHBondContact O-N 3.42Å; E121-L124 PolarHBondContact O-N 3.04Å; L124-Y127 CarbonylContact O-C 3.34Å; L124-Y127 PolarHBondContact O-N 2.85Å; L124-A128 VanDerWaalsContact O-CB 3.32Å; L124-A128 WeakPolarHBondContact O-CB 3.34Å; L124-A128 PolarHBondContact O-N 3.02Å
125A61.3Low55.5Low62 Ų62115.5 Ų115.551%0.51259%0.589SS.*Hα-helixtrans-66.5-40.5172.300000111.7E121 Q122 Y127 A128 A129E121-A125 WeakPolarHBondContact O-CB 3.47Å; E121-A125 PolarHBondContact O-N 2.87Å; Q122-A125 PolarHBondContact O-N 3.17Å; A125-Y127 VanDerWaalsContact C-N 3.33Å; A125-Y127 PolarHBondContact O-N 3.45Å; A125-A128 PolarHBondContact O-N 3.26Å; A125-A129 VanDerWaalsContact O-CB 3.26Å; A125-A129 WeakPolarHBondContact O-CB 3.38Å; A125-A129 PolarHBondContact O-N 2.92Å
126E59.1Low55.7Low84 Ų84111.6 Ų111.639%0.39358%0.582SS.*Hα-helixtrans-63.2-38.2171.4-79.9-176.7166.300111.9Q122 R123 K130Q122-E126 WeakPolarHBondContact O-CB 3.26Å; Q122-E126 WeakPolarHBondContact O-CG 3.32Å; Q122-E126 PolarHBondContact O-N 2.86Å; R123-E126 WeakPolarHBondContact CD-OE2 3.48Å; R123-E126 IonicContact CZ-OE2 3.81Å; R123-E126 IonicContact NH1-OE2 2.85Å; R123-E126 PolarHBondContact NH1-OE2 2.96Å; R123-E126 PolarHBondContact O-N 3.03Å; E126-K130 VanDerWaalsContact O-CB 3.3Å; E126-K130 WeakPolarHBondContact O-CB 3.44Å; E126-K130 WeakPolarHBondContact O-CG 3.47Å; E126-K130 PolarHBondContact O-N 2.81Å
127Y47.6Very low55.8Low155 Ų155115.3 Ų115.361%0.60860%0.595SS**Hα-helixtrans-73.4-34.3176.7-95.1-76.6000112.5R123 L124 A125 K130 K131R123-Y127 WeakPolarHBondContact O-CB 3.36Å; R123-Y127 VanDerWaalsContact O-CD2 3.28Å; R123-Y127 WeakPolarHBondContact O-CD2 3.35Å; R123-Y127 PolarHBondContact O-N 3.48Å; L124-Y127 CarbonylContact O-C 3.34Å; L124-Y127 PolarHBondContact O-N 2.85Å; A125-Y127 VanDerWaalsContact C-N 3.33Å; A125-Y127 PolarHBondContact O-N 3.45Å; Y127-K130 PolarHBondContact O-N 2.88Å; Y127-K131 WeakPolarHBondContact O-CB 3.5Å; Y127-K131 PolarHBondContact O-N 2.84Å
128A58.9Low56Low60 Ų60114.5 Ų114.550%0.49659%0.587SS.*Hα-helixtrans-67.5-44.1172.200000111L124 A125 K130 K131 A132L124-A128 VanDerWaalsContact O-CB 3.32Å; L124-A128 WeakPolarHBondContact O-CB 3.34Å; L124-A128 PolarHBondContact O-N 3.02Å; A125-A128 PolarHBondContact O-N 3.26Å; A128-K130 VanDerWaalsContact C-N 3.31Å; A128-K130 PolarHBondContact O-N 3.5Å; A128-K131 PolarHBondContact O-N 3.38Å; A128-A132 WeakPolarHBondContact O-CB 3.14Å; A128-A132 PolarHBondContact O-N 2.84Å
129A59.1Low56.9Low56 Ų56111 Ų11146%0.46358%0.58SS.*Hα-helixtrans-64.2-34.2173.900000112.3A125 K133A125-A129 VanDerWaalsContact O-CB 3.26Å; A125-A129 WeakPolarHBondContact O-CB 3.38Å; A125-A129 PolarHBondContact O-N 2.92Å; A129-K133 WeakPolarHBondContact O-CG 3.18Å; A129-K133 PolarHBondContact O-N 3.38Å
130K58.6Low58.2Low126 Ų126110.1 Ų110.155%0.54857%0.572SS.*Hα-helixtrans-75.4-32.1173.3-74.1171.8-174.3173.90112.9E126 Y127 A128 K133E126-K130 VanDerWaalsContact O-CB 3.3Å; E126-K130 WeakPolarHBondContact O-CB 3.44Å; E126-K130 WeakPolarHBondContact O-CG 3.47Å; E126-K130 PolarHBondContact O-N 2.81Å; Y127-K130 PolarHBondContact O-N 2.88Å; A128-K130 VanDerWaalsContact C-N 3.31Å; A128-K130 PolarHBondContact O-N 3.5Å; K130-K133 PolarHBondContact O-N 2.74Å
131K56Low59.5Low160 Ų160102.7 Ų102.770%0.69654%0.539SS*.Hα-helixtrans-73.2-29.5171.6-88.9-171.3171.21770112.7Y127 A128 K133 K134Y127-K131 WeakPolarHBondContact O-CB 3.5Å; Y127-K131 PolarHBondContact O-N 2.84Å; A128-K131 PolarHBondContact O-N 3.38Å; K131-K133 PolarHBondContact O-N 2.91Å; K131-K134 PolarHBondContact O-N 2.77Å
132A53.5Low60.8Low80 Ų8097.5 Ų97.566%0.66152%0.519SS*.THydrogen-bonded Turntrans-72.1-13.7171.900000113.5A128 K134A128-A132 WeakPolarHBondContact O-CB 3.14Å; A128-A132 PolarHBondContact O-N 2.84Å; A132-K134 PolarHBondContact O-N 2.83Å
133K51.6Low62.4Low175 Ų17591.7 Ų91.776%0.76149%0.492SS*.THydrogen-bonded Turntrans-82.414.3170.9-75.3178.5-179.9-177.50114A129 K130 K131A129-K133 WeakPolarHBondContact O-CG 3.18Å; A129-K133 PolarHBondContact O-N 3.38Å; K130-K133 PolarHBondContact O-N 2.74Å; K131-K133 PolarHBondContact O-N 2.91Å
134K49.3Very low64Low159 Ų15987.5 Ų87.569%0.69148%0.479SS*.SBendtrans-73.4126.5156.5-68.9-174.9-179.2-174.80106.3K131 A132 A136K131-K134 PolarHBondContact O-N 2.77Å; A132-K134 PolarHBondContact O-N 2.83Å; K134-A136 VanDerWaalsContact C-N 3.27Å; K134-A136 PolarHBondContact O-N 3.28Å
135P46.8Very low65.6Low123 Ų12381.4 Ų81.480%0.79945%0.447SS*.  trans-67.991.4-178.728.2-31.9000108.2
136A53.5Low67Low63 Ų6379.2 Ų79.252%0.52143%0.427SS..  trans-56147.7152.700000106.5K134 I138K134-A136 VanDerWaalsContact C-N 3.27Å; K134-A136 PolarHBondContact O-N 3.28Å; A136-I138 WeakPolarHBondContact O-CG1 3.48Å; A136-I138 PolarHBondContact O-N 2.89Å
137L54.6Low68.5Low124 Ų12475.2 Ų75.265%0.64941%0.408SS*.  trans-66.492.2172.4-75.793.7000107.2V72 A139V72-L137 HydrophobicContact CB-CD1 4.14Å; V72-L137 HydrophobicContact CG1-CD1 3.35Å; V72-L137 HydrophobicContact CG1-CD2 4.43Å; V72-L137 HydrophobicContact CG2-CD1 3.64Å; V72-L137 HydrophobicContact CG2-CD2 3.91Å; V72-L137 HydrophobicContact CG2-CG 4.27Å; L137-A139 VanDerWaalsContact C-N 3.31Å; L137-A139 PolarHBondContact O-N 3.3Å
138I59Low70.5Confident70 Ų7070.9 Ų70.936%0.35939%0.392SS..  trans-65.398.4175.8-62.4160.5000105.3A136 K140 E195A136-I138 WeakPolarHBondContact O-CG1 3.48Å; A136-I138 PolarHBondContact O-N 2.89Å; I138-K140 HydrophobicContact CG2-CG 3.86Å; I138-K140 PolarHBondContact O-N 3.1Å; I138-E195 HydrophobicContact CG2-CB 3.65Å; I138-E195 HydrophobicContact CG2-CG 3.34Å
139A75.8Confident72Confident46 Ų4668 Ų6838%0.3837%0.369SS..  trans-62.4121.9167.600000106.7L137 D196L137-A139 VanDerWaalsContact C-N 3.31Å; L137-A139 PolarHBondContact O-N 3.3Å; A139-D196 HydrophobicContact CB-CB 4.31Å; A139-D196 PolarHBondContact O-N 3.28Å
140K84.1Confident73.2Confident86 Ų8672.1 Ų72.137%0.37437%0.373SS..EExtended strand (participates in β ladder)trans-107.4142.9178.7-69.6-179.5-173.7-175.20107.9I138 V193 V194 E195 I226I138-K140 HydrophobicContact CG2-CG 3.86Å; I138-K140 PolarHBondContact O-N 3.1Å; K140-V193 HydrophobicContact CB-CG1 4.21Å; K140-V193 HydrophobicContact CD-CG1 4.31Å; K140-V194 CarbonylContact C-O 3.45Å; K140-V194 VanDerWaalsContact CA-O 3.24Å; K140-V194 WeakPolarHBondContact CA-O 3.13Å; K140-E195 HydrophobicContact CG-CG 4.43Å; K140-I226 HydrophobicContact CB-CD1 3.81Å; K140-I226 HydrophobicContact CB-CG1 3.63Å; K140-I226 PolarHBondContact N-O 3.06Å; K140-I226 WeakPolarHBondContact O-CG1 3.48Å; K140-I226 PolarHBondContact O-N 3.45Å
141S87.4Confident74.4Confident0 Ų069.9 Ų69.90%037%0.366CS..EExtended strand (participates in β ladder)trans-119.9131170.9-66.60000108.9V193 V194 D196 F223 N224S141-V193 CarbonylContact O-C 3.5Å; S141-V193 WeakPolarHBondContact O-CA 3.34Å; S141-V194 PolarHBondContact N-O 2.91Å; S141-V194 PolarHBondContact O-N 2.94Å; S141-D196 WeakPolarHBondContact CB-OD1 3.33Å; S141-D196 VanDerWaalsContact OG-CG 3.25Å; S141-D196 PolarHBondContact OG-OD1 3.11Å; S141-D196 PolarHBondContact OG-OD2 2.79Å; S141-D196 VanDerWaalsContact OG-OD2 3.08Å; S141-F223 VanDerWaalsContact OG-CZ 3.28Å; S141-F223 WeakPolarHBondContact OG-CZ 3.42Å; S141-N224 CarbonylContact C-O 3.59Å; S141-N224 WeakPolarHBondContact CA-O 3.21Å
142S89.1Confident75.5Confident32 Ų3266.7 Ų66.722%0.22436%0.357CS..EExtended strand (participates in β ladder)trans-92115.9167.2-176.60000108.9C192 N224S142-C192 CarbonylContact C-O 3.36Å; S142-C192 WeakPolarHBondContact CA-O 3.31Å; S142-N224 PolarHBondContact N-O 3.07Å; S142-N224 PolarHBondContact O-N 3.21Å
143L89.5Confident76.7Confident1 Ų171.3 Ų71.31%0.00537%0.365CS..EExtended strand (participates in β ladder)trans-104.2146.6178.3-74.5141.9000109.8L145 S191 C192 V194 T201 L204 V220 F223L143-L145 HydrophobicContact CB-CD2 4.13Å; L143-L145 HydrophobicContact CB-CG 4.46Å; L143-L145 HydrophobicContact CD2-CD2 4.29Å; L143-S191 CarbonylContact O-C 3.6Å; L143-S191 WeakPolarHBondContact O-CA 3.42Å; L143-C192 PolarHBondContact N-O 3.44Å; L143-C192 PolarHBondContact O-N 3.42Å; L143-V194 HydrophobicContact CD1-CB 4.26Å; L143-V194 HydrophobicContact CD1-CG1 3.77Å; L143-V194 HydrophobicContact CD1-CG2 3.45Å; L143-V194 VanDerWaalsContact CD1-CG2 3.45Å; L143-T201 HydrophobicContact CD1-CG2 3.88Å; L143-T201 HydrophobicContact CD2-CG2 3.59Å; L143-T201 HydrophobicContact CG-CG2 4.37Å; L143-L204 HydrophobicContact CD1-CD1 4.33Å; L143-V220 HydrophobicContact CD2-CG1 4.16Å; L143-F223 HydrophobicContact CD2-CD2 3.54Å; L143-F223 HydrophobicContact CD2-CE2 4.14Å; L143-F223 HydrophobicContact CG-CD2 4.01Å; L143-F223 HydrophobicContact CG-CE2 4.36Å
144L91.9Very high78Confident46 Ų4664.1 Ų64.124%0.24134%0.336CS..EExtended strand (participates in β ladder)trans-121.7107.8172.9-126175.4000107Q189 A221 A222L144-Q189 HydrophobicContact CD2-CG 3.2Å; L144-A221 WeakPolarHBondContact O-CA 3.27Å; L144-A221 WeakPolarHBondContact O-CB 3.36Å; L144-A221 PolarHBondContact O-N 3.27Å; L144-A222 HydrophobicContact CB-CB 3.86Å; L144-A222 HydrophobicContact CD1-CB 4.32Å; L144-A222 PolarHBondContact N-O 3.17Å; L144-A222 PolarHBondContact O-N 3.24Å
145L91.1Very high79.6Confident2 Ų259.9 Ų59.91%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-103.3129.2-173.2-50.1172.6000109.1L143 W173 Q189 I190 I208 M218 V220L143-L145 HydrophobicContact CB-CD2 4.13Å; L143-L145 HydrophobicContact CB-CG 4.46Å; L143-L145 HydrophobicContact CD2-CD2 4.29Å; L145-W173 HydrophobicContact CD1-CH2 4.3Å; L145-W173 HydrophobicContact CD1-CZ3 4.11Å; L145-Q189 CarbonylContact O-C 3.58Å; L145-Q189 WeakPolarHBondContact O-CA 3.24Å; L145-I190 HydrophobicContact CB-CG2 4.03Å; L145-I190 PolarHBondContact N-O 3.49Å; L145-I190 PolarHBondContact O-N 2.97Å; L145-I208 HydrophobicContact CD1-CD1 3.87Å; L145-M218 HydrophobicContact CB-CE 4.33Å; L145-M218 HydrophobicContact CD1-CE 4.15Å; L145-M218 HydrophobicContact CD2-CE 3.24Å; L145-M218 HydrophobicContact CG-CE 4.08Å; L145-V220 HydrophobicContact CD2-CG2 4.23Å
146D91.3Very high81.2Confident16 Ų1655.6 Ų55.69%0.08629%0.29CS..EExtended strand (participates in β ladder)trans-100.2115.1171-81.70.1000108.1K187 L188 Q189 D219 A221D146-K187 HydrophobicContact CB-CD 4.33Å; D146-K187 WeakPolarHBondContact OD2-CE 3.36Å; D146-K187 IonicContact OD2-NZ 2.71Å; D146-K187 PolarHBondContact OD2-NZ 2.97Å; D146-L188 CarbonylContact C-O 3.5Å; D146-L188 WeakPolarHBondContact CA-O 3.24Å; D146-Q189 VanDerWaalsContact OD1-CB 3.26Å; D146-Q189 WeakPolarHBondContact OD1-CB 3.42Å; D146-Q189 WeakPolarHBondContact OD1-CG 3.48Å; D146-D219 HydrophobicContact CB-CB 4.31Å; D146-D219 PolarHBondContact N-O 2.8Å; D146-D219 PolarHBondContact O-N 2.83Å; D146-A221 HydrophobicContact CB-CB 4.41Å
147V89.4Confident82.7Confident0 Ų055.4 Ų55.40%029%0.289CS..EExtended strand (participates in β ladder)trans-104.5120.7176.3-169.80000108.5L159 L188 I208 V215V147-L159 HydrophobicContact CB-CD2 4.22Å; V147-L159 HydrophobicContact CG1-CD1 4.43Å; V147-L159 HydrophobicContact CG1-CD2 3.87Å; V147-L188 HydrophobicContact CB-CB 4.39Å; V147-L188 PolarHBondContact N-O 3.34Å; V147-L188 PolarHBondContact O-N 3.29Å; V147-I208 HydrophobicContact CG1-CG2 4.16Å; V147-I208 HydrophobicContact CG2-CG2 4.05Å; V147-V215 HydrophobicContact CG1-CB 4.16Å; V147-V215 HydrophobicContact CG1-CG1 3.58Å; V147-V215 HydrophobicContact CG1-CG2 3.56Å
148K89.8Confident84.1Confident63 Ų6354.6 Ų54.627%0.27428%0.28SS..EExtended strand (participates in β ladder)trans-101.5121-177-162.8-176.517484.90109.3Q216 S217K148-Q216 VanDerWaalsContact CD-OE1 3.29Å; K148-Q216 VanDerWaalsContact CE-OE1 3.24Å; K148-Q216 WeakPolarHBondContact O-CB 3.16Å; K148-Q216 PolarHBondContact O-N 3.34Å; K148-S217 PolarHBondContact N-O 2.97Å; K148-S217 PolarHBondContact O-N 2.9Å
149P89.7Confident85.3Confident1 Ų151.3 Ų51.31%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-76.1168.2174.133.4-35.8000111.2T154 M156 L159 I185 K186 F214P149-T154 HydrophobicContact CB-CG2 4.1Å; P149-M156 HydrophobicContact CB-SD 4.32Å; P149-M156 HydrophobicContact CG-CE 4.19Å; P149-M156 HydrophobicContact CG-SD 3.93Å; P149-L159 HydrophobicContact CB-CD1 4.12Å; P149-I185 HydrophobicContact CG-CG2 4.28Å; P149-K186 WeakPolarHBondContact CD-O 3.3Å; P149-K186 WeakPolarHBondContact CG-O 3.43Å; P149-F214 WeakPolarHBondContact CA-O 3.36Å
150W85.2Confident85.8Confident142 Ų14251.3 Ų51.354%0.53826%0.255SS..SBendtrans-66.5-44.3174.9-76.3102.9000113.1E212 V215 Q216W150-E212 PolarHBondContact NE1-O 2.77Å; W150-V215 PolarHBondContact NE1-O 3.14Å; W150-Q216 HydrophobicContact CD2-CB 3.91Å; W150-Q216 HydrophobicContact CD2-CG 4.32Å; W150-Q216 HydrophobicContact CE3-CB 4.21Å; W150-Q216 HydrophobicContact CE3-CG 4.13Å; W150-Q216 HydrophobicContact CG-CB 4.2Å; W150-Q216 HydrophobicContact CH2-CG 4.41Å; W150-Q216 HydrophobicContact CZ3-CG 4.18Å
151D83.6Confident86Confident78 Ų7853.8 Ų53.842%0.41727%0.268SS..SBendtrans-154170.4-176.8-154.44.1000113.2E153 T154D151-E153 PolarHBondContact O-N 3.37Å; D151-T154 PolarHBondContact N-OG1 2.97Å; D151-T154 WeakPolarHBondContact O-CB 3.36Å; D151-T154 PolarHBondContact O-N 2.82Å; D151-T154 VanDerWaalsContact O-N 3.14Å; D151-T154 PolarHBondContact O-OG1 3.3Å
152D80.1Confident85.9Confident93 Ų9355.1 Ų55.150%0.49728%0.277SS..THydrogen-bonded Turntrans-68.2-15.7179.673.3-15.2000114.7T154 I185D152-T154 VanDerWaalsContact C-N 3.31Å; D152-I185 HydrophobicContact CB-CG1 4.31Å
153E78.1Confident85.8Confident177 Ų17753.7 Ų53.783%0.82727%0.267SS*.THydrogen-bonded Turntrans-78.1-11.3170.9-63.1-166.2157.100113.7D151 D155D151-E153 PolarHBondContact O-N 3.37Å; E153-D155 PolarHBondContact O-N 2.92Å
154T78.6Confident85.8Confident25 Ų2558 Ų5815%0.15328%0.283CS..SBendtrans-69130.2-178.5-43.40000110.8P149 D151 D152 M156 F214P149-T154 HydrophobicContact CB-CG2 4.1Å; D151-T154 PolarHBondContact N-OG1 2.97Å; D151-T154 WeakPolarHBondContact O-CB 3.36Å; D151-T154 PolarHBondContact O-N 2.82Å; D151-T154 VanDerWaalsContact O-N 3.14Å; D151-T154 PolarHBondContact O-OG1 3.3Å; D152-T154 VanDerWaalsContact C-N 3.31Å; T154-M156 PolarHBondContact O-N 3.34Å; T154-F214 HydrophobicContact CG2-CB 4.34Å; T154-F214 HydrophobicContact CG2-CD1 3.9Å
155D83.1Confident85.6Confident69 Ų6959.4 Ų59.437%0.36930%0.297SS..  trans-70.8100.3-180-169.1-15.6000111.3E153 A157 K158 L159E153-D155 PolarHBondContact O-N 2.92Å; D155-A157 PolarHBondContact O-N 2.9Å; D155-A157 WeakPolarHBondContact OD1-CB 3.3Å; D155-A157 PolarHBondContact OD1-N 3.37Å; D155-A157 VanDerWaalsContact OD1-N 3.11Å; D155-K158 HydrophobicContact CB-CB 4.19Å; D155-K158 HydrophobicContact CB-CD 3.99Å; D155-K158 HydrophobicContact CB-CG 4.16Å; D155-K158 PolarHBondContact O-N 2.8Å; D155-K158 WeakPolarHBondContact OD2-CD 3.3Å; D155-K158 WeakPolarHBondContact OD2-CE 3.34Å; D155-K158 WeakPolarHBondContact OD2-CG 3.46Å; D155-K158 IonicContact OD2-NZ 3.5Å; D155-L159 PolarHBondContact O-N 2.86Å; D155-L159 VanDerWaalsContact O-N 3.07Å
156M79.8Confident85.4Confident34 Ų3459.9 Ų59.917%0.16730%0.3CS..Hα-helixtrans-62.7-26.7-177.9-57.3-56.3-70.900113P149 T154 E160 L178 K186 L188P149-M156 HydrophobicContact CB-SD 4.32Å; P149-M156 HydrophobicContact CG-CE 4.19Å; P149-M156 HydrophobicContact CG-SD 3.93Å; T154-M156 PolarHBondContact O-N 3.34Å; M156-E160 PolarHBondContact O-N 3.25Å; M156-E160 VanDerWaalsContact O-N 3.09Å; M156-L178 HydrophobicContact CB-CD1 4.44Å; M156-L178 HydrophobicContact CB-CD2 4.11Å; M156-L178 HydrophobicContact CE-CD2 3.53Å; M156-L178 HydrophobicContact CG-CD2 4.35Å; M156-K186 HydrophobicContact CE-CB 4.45Å; M156-K186 WeakPolarHBondContact CE-O 3.44Å; M156-L188 HydrophobicContact CE-CB 4.15Å
157A84.4Confident85Confident59 Ų5967.3 Ų67.349%0.48833%0.334SS..Hα-helixtrans-72.4-41.3178.500000110.9D155 E160 E161D155-A157 PolarHBondContact O-N 2.9Å; D155-A157 WeakPolarHBondContact OD1-CB 3.3Å; D155-A157 PolarHBondContact OD1-N 3.37Å; D155-A157 VanDerWaalsContact OD1-N 3.11Å; A157-E160 PolarHBondContact O-N 3.01Å; A157-E161 PolarHBondContact O-N 2.91Å
158K84.9Confident84.5Confident106 Ų10669 Ų6946%0.46134%0.342SS..Hα-helixtrans-66.3-39.4174.2-69.6178.8-171.51600112D155 E160 E161 C162D155-K158 HydrophobicContact CB-CB 4.19Å; D155-K158 HydrophobicContact CB-CD 3.99Å; D155-K158 HydrophobicContact CB-CG 4.16Å; D155-K158 PolarHBondContact O-N 2.8Å; D155-K158 WeakPolarHBondContact OD2-CD 3.3Å; D155-K158 WeakPolarHBondContact OD2-CE 3.34Å; D155-K158 WeakPolarHBondContact OD2-CG 3.46Å; D155-K158 IonicContact OD2-NZ 3.5Å; K158-E160 VanDerWaalsContact C-N 3.3Å; K158-E160 PolarHBondContact O-N 2.67Å; K158-E161 PolarHBondContact O-N 2.8Å; K158-C162 WeakPolarHBondContact O-CB 3.37Å; K158-C162 PolarHBondContact O-N 2.9Å; K158-C162 PolarHBondContact O-SG 3.49Å
159L84.8Confident84.1Confident1 Ų171.7 Ų71.71%0.00536%0.359CS..Hα-helixtrans-59.4-45.1175.1-167159.6000110.3V147 P149 D155 C162 V163 L188 F214 V215V147-L159 HydrophobicContact CB-CD2 4.22Å; V147-L159 HydrophobicContact CG1-CD1 4.43Å; V147-L159 HydrophobicContact CG1-CD2 3.87Å; P149-L159 HydrophobicContact CB-CD1 4.12Å; D155-L159 PolarHBondContact O-N 2.86Å; D155-L159 VanDerWaalsContact O-N 3.07Å; L159-C162 PolarHBondContact O-N 3.35Å; L159-V163 HydrophobicContact CD2-CG2 4.04Å; L159-V163 VanDerWaalsContact O-CG2 3.31Å; L159-V163 WeakPolarHBondContact O-CG2 3.28Å; L159-V163 PolarHBondContact O-N 2.9Å; L159-L188 HydrophobicContact CD2-CB 4.16Å; L159-L188 HydrophobicContact CD2-CD2 3.39Å; L159-L188 HydrophobicContact CD2-CG 4.4Å; L159-F214 HydrophobicContact CD1-CB 4.31Å; L159-F214 WeakPolarHBondContact CD1-O 3.34Å; L159-F214 HydrophobicContact CG-CB 4.38Å; L159-V215 HydrophobicContact CD1-CG2 4.3Å; L159-V215 HydrophobicContact CG-CG2 4.34Å
160E86.3Confident83.6Confident47 Ų4772.2 Ų72.222%0.2237%0.365CS..Hα-helixtrans-63.3-42.2175.1-175.3175.3170.500112.6M156 A157 K158 V163 R164 S176 L188M156-E160 PolarHBondContact O-N 3.25Å; M156-E160 VanDerWaalsContact O-N 3.09Å; A157-E160 PolarHBondContact O-N 3.01Å; K158-E160 VanDerWaalsContact C-N 3.3Å; K158-E160 PolarHBondContact O-N 2.67Å; E160-V163 PolarHBondContact O-N 2.73Å; E160-R164 HydrophobicContact CG-CG 4.34Å; E160-R164 WeakPolarHBondContact O-CB 3.13Å; E160-R164 VanDerWaalsContact O-CG 3.3Å; E160-R164 WeakPolarHBondContact O-CG 3.48Å; E160-R164 PolarHBondContact O-N 2.74Å; E160-R164 IonicContact OE1-CZ 3.23Å; E160-R164 VanDerWaalsContact OE1-CZ 3.23Å; E160-R164 IonicContact OE1-NE 2.79Å; E160-R164 PolarHBondContact OE1-NE 2.65Å; E160-R164 IonicContact OE1-NH2 2.8Å; E160-R164 PolarHBondContact OE1-NH2 3.34Å; E160-S176 PolarHBondContact OE1-OG 2.83Å; E160-S176 PolarHBondContact OE2-OG 3.32Å; E160-L188 HydrophobicContact CB-CD2 4.08Å; E160-L188 HydrophobicContact CG-CD2 4.5Å
161E88.3Confident83.6Confident137 Ų13766.4 Ų66.464%0.6434%0.344SS*.Hα-helixtrans-61.6-44.3175-78.5-177.216500112.1A157 K158 V163 R164 S165A157-E161 PolarHBondContact O-N 2.91Å; K158-E161 PolarHBondContact O-N 2.8Å; E161-V163 PolarHBondContact O-N 2.82Å; E161-R164 PolarHBondContact O-N 2.65Å; E161-S165 WeakPolarHBondContact O-CB 3.5Å; E161-S165 PolarHBondContact O-N 3.26Å
162C85.9Confident83.8Confident29 Ų2967.1 Ų67.120%0.19635%0.351CS..Hα-helixtrans-59.2-47.1175.5-72.90000111.3K158 L159 R164 S165 F211K158-C162 WeakPolarHBondContact O-CB 3.37Å; K158-C162 PolarHBondContact O-N 2.9Å; K158-C162 PolarHBondContact O-SG 3.49Å; L159-C162 PolarHBondContact O-N 3.35Å; C162-R164 PolarHBondContact O-N 3.08Å; C162-S165 WeakPolarHBondContact O-CB 3.32Å; C162-S165 PolarHBondContact O-N 2.81Å; C162-S165 PolarHBondContact O-OG 3.5Å; C162-F211 HydrophobicContact CB-CD1 4.27Å; C162-F211 HydrophobicContact CB-CD2 4.45Å; C162-F211 HydrophobicContact CB-CE1 4.2Å; C162-F211 HydrophobicContact CB-CE2 4.36Å; C162-F211 HydrophobicContact CB-CG 4.4Å; C162-F211 HydrophobicContact CB-CZ 4.24Å
163V86.8Confident84.3Confident1 Ų164.6 Ų64.61%0.00634%0.335CS..Hα-helixtrans-64.1-43.3178175.20000110.9L159 E160 E161 S165 I166 W173 I190L159-V163 HydrophobicContact CD2-CG2 4.04Å; L159-V163 VanDerWaalsContact O-CG2 3.31Å; L159-V163 WeakPolarHBondContact O-CG2 3.28Å; L159-V163 PolarHBondContact O-N 2.9Å; E160-V163 PolarHBondContact O-N 2.73Å; E161-V163 PolarHBondContact O-N 2.82Å; V163-S165 VanDerWaalsContact C-N 3.28Å; V163-S165 PolarHBondContact O-N 3.4Å; V163-I166 WeakPolarHBondContact O-CB 3.45Å; V163-I166 PolarHBondContact O-N 3.31Å; V163-W173 HydrophobicContact CG1-CE3 4.21Å; V163-W173 HydrophobicContact CG1-CH2 3.42Å; V163-W173 VanDerWaalsContact CG1-CH2 3.42Å; V163-W173 HydrophobicContact CG1-CZ2 3.77Å; V163-W173 HydrophobicContact CG1-CZ3 3.66Å; V163-W173 VanDerWaalsContact O-CE2 3.26Å; V163-W173 WeakPolarHBondContact O-CZ2 3.37Å; V163-W173 PolarHBondContact O-NE1 3.44Å; V163-I190 HydrophobicContact CG1-CD1 3.93Å; V163-I190 HydrophobicContact CG1-CG2 4.35Å
164R87.8Confident84.9Confident92 Ų9257.5 Ų57.535%0.34731%0.31SS..Hα-helixtrans-68-26.4177.3-73.5-178-177.4-77.4-4.4113.3E160 E161 C162 I166 G174 S176E160-R164 HydrophobicContact CG-CG 4.34Å; E160-R164 WeakPolarHBondContact O-CB 3.13Å; E160-R164 VanDerWaalsContact O-CG 3.3Å; E160-R164 WeakPolarHBondContact O-CG 3.48Å; E160-R164 PolarHBondContact O-N 2.74Å; E160-R164 IonicContact OE1-CZ 3.23Å; E160-R164 VanDerWaalsContact OE1-CZ 3.23Å; E160-R164 IonicContact OE1-NE 2.79Å; E160-R164 PolarHBondContact OE1-NE 2.65Å; E160-R164 IonicContact OE1-NH2 2.8Å; E160-R164 PolarHBondContact OE1-NH2 3.34Å; E161-R164 PolarHBondContact O-N 2.65Å; C162-R164 PolarHBondContact O-N 3.08Å; R164-I166 PolarHBondContact O-N 2.86Å; R164-G174 PolarHBondContact NH1-O 3.23Å; R164-G174 PolarHBondContact NH2-O 3.45Å; R164-S176 PolarHBondContact NH2-OG 2.84Å
165S88.8Confident85.4Confident76 Ų7664.3 Ų64.353%0.53134%0.34SS..Hα-helixtrans-68.3-15.9177.279.10000113.3E161 C162 V163 E167E161-S165 WeakPolarHBondContact O-CB 3.5Å; E161-S165 PolarHBondContact O-N 3.26Å; C162-S165 WeakPolarHBondContact O-CB 3.32Å; C162-S165 PolarHBondContact O-N 2.81Å; C162-S165 PolarHBondContact O-OG 3.5Å; V163-S165 VanDerWaalsContact C-N 3.28Å; V163-S165 PolarHBondContact O-N 3.4Å; S165-E167 PolarHBondContact O-N 2.87Å
166I86.8Confident85.7Confident12 Ų1262.7 Ų62.76%0.06233%0.334CS..  trans-70.298.8171.9-60162.6000108.1V163 R164 M168 L171 W173 K207 I208 F211V163-I166 WeakPolarHBondContact O-CB 3.45Å; V163-I166 PolarHBondContact O-N 3.31Å; R164-I166 PolarHBondContact O-N 2.86Å; I166-M168 HydrophobicContact CG2-CE 4.08Å; I166-M168 HydrophobicContact CG2-CG 4.14Å; I166-M168 HydrophobicContact CG2-SD 4.45Å; I166-L171 HydrophobicContact CG2-CD2 4.02Å; I166-L171 WeakPolarHBondContact O-CD2 3.21Å; I166-W173 HydrophobicContact CB-CZ2 4.17Å; I166-W173 HydrophobicContact CD1-CZ2 4.41Å; I166-W173 PolarHBondContact O-NE1 3.18Å; I166-K207 HydrophobicContact CD1-CB 3.9Å; I166-K207 HydrophobicContact CG1-CB 4.34Å; I166-K207 HydrophobicContact CG2-CB 4.44Å; I166-K207 HydrophobicContact CG2-CD 3.69Å; I166-I208 HydrophobicContact CD1-CG1 3.72Å; I166-F211 HydrophobicContact CD1-CE2 3.99Å; I166-F211 HydrophobicContact CG1-CE2 4.11Å
167E82.7Confident86.2Confident172 Ų17266.4 Ų66.480%0.80435%0.349SS*.  trans-97.4126.5170.3-69.2-174.3168.500110S165S165-E167 PolarHBondContact O-N 2.87Å
168M79.8Confident86.4Confident36 Ų3667.6 Ų67.618%0.17735%0.347CS..  trans-141146.8174.3-63.1-165.4-70.800109.7I166 G170 L171 V199 I203 L204 K207I166-M168 HydrophobicContact CG2-CE 4.08Å; I166-M168 HydrophobicContact CG2-CG 4.14Å; I166-M168 HydrophobicContact CG2-SD 4.45Å; M168-G170 PolarHBondContact O-N 3.38Å; M168-L171 HydrophobicContact CB-CB 3.95Å; M168-L171 HydrophobicContact CB-CD2 4.29Å; M168-L171 HydrophobicContact CE-CD2 3.84Å; M168-L171 HydrophobicContact CG-CD2 4.47Å; M168-L171 PolarHBondContact O-N 2.81Å; M168-V199 HydrophobicContact CB-CG2 4.3Å; M168-V199 HydrophobicContact CE-CG1 3.66Å; M168-I203 HydrophobicContact CE-CG2 4.09Å; M168-I203 HydrophobicContact SD-CG2 3.69Å; M168-L204 HydrophobicContact CE-CD2 3.46Å; M168-L204 VanDerWaalsContact CE-CD2 3.46Å; M168-L204 HydrophobicContact CE-CG 3.86Å; M168-K207 HydrophobicContact CE-CD 4.45Å; M168-K207 HydrophobicContact SD-CD 3.91Å; M168-K207 PolarHBondContact SD-NZ 3.05Å
169D79.7Confident86.6Confident118 Ų11864.5 Ų64.563%0.63134%0.337SS*.THydrogen-bonded Turntrans-64.9118.6175.9-17828.2000110K198 V199D169-K198 IonicContact OD1-NZ 3.27Å; D169-K198 PolarHBondContact OD1-NZ 3.49Å; D169-K198 WeakPolarHBondContact OD2-CE 3.4Å; D169-K198 IonicContact OD2-NZ 2.8Å; D169-K198 PolarHBondContact OD2-NZ 2.98Å; D169-V199 WeakPolarHBondContact O-CG2 3.46Å
170G79.5Confident86.8Confident13 Ų1369.1 Ų69.113%0.13437%0.367CS..THydrogen-bonded Turntrans90.53.3-175.200000115.3M168 V194 E195M168-G170 PolarHBondContact O-N 3.38Å; G170-V194 CarbonylContact O-C 3.57Å; G170-V194 WeakPolarHBondContact O-CA 3.35Å; G170-E195 PolarHBondContact O-N 3.39Å
171L85.7Confident86.7Confident19 Ų1970.4 Ų70.410%0.09938%0.377CS..EExtended strand (participates in β ladder)trans-99.9125.4172.6179.268.8000110.8I166 M168 W173 C192 V194 V199 L204I166-L171 HydrophobicContact CG2-CD2 4.02Å; I166-L171 WeakPolarHBondContact O-CD2 3.21Å; M168-L171 HydrophobicContact CB-CB 3.95Å; M168-L171 HydrophobicContact CB-CD2 4.29Å; M168-L171 HydrophobicContact CE-CD2 3.84Å; M168-L171 HydrophobicContact CG-CD2 4.47Å; M168-L171 PolarHBondContact O-N 2.81Å; L171-W173 HydrophobicContact CD2-CZ2 3.75Å; L171-W173 HydrophobicContact CG-CZ2 4.49Å; L171-C192 HydrophobicContact CD1-CB 4.08Å; L171-V194 HydrophobicContact CD1-CG1 3.67Å; L171-V199 HydrophobicContact CB-CG2 4.5Å; L171-L204 HydrophobicContact CD1-CD1 4.05Å; L171-L204 HydrophobicContact CD1-CD2 3.75Å; L171-L204 HydrophobicContact CD1-CG 4.47Å; L171-L204 HydrophobicContact CD2-CD2 3.76Å; L171-L204 HydrophobicContact CG-CD2 4.41Å
172V88.2Confident86.4Confident93 Ų9365.5 Ų65.556%0.56436%0.364SS*.EExtended strand (participates in β ladder)trans-124.1117.5173.8-179.30000109.5C192 V193V172-C192 CarbonylContact O-C 3.5Å; V172-C192 VanDerWaalsContact O-CA 3.27Å; V172-C192 WeakPolarHBondContact O-CA 3.26Å; V172-V193 HydrophobicContact CB-CB 4.33Å; V172-V193 PolarHBondContact N-O 3.27Å; V172-V193 PolarHBondContact O-N 3.28Å
173W91.3Very high86Confident40 Ų4075.2 Ų75.215%0.15240%0.398CS..EExtended strand (participates in β ladder)trans-76131.6173.2-66.7111.8000111.1L145 V163 I166 L171 I190 C192 L204 I208L145-W173 HydrophobicContact CD1-CH2 4.3Å; L145-W173 HydrophobicContact CD1-CZ3 4.11Å; V163-W173 HydrophobicContact CG1-CE3 4.21Å; V163-W173 HydrophobicContact CG1-CH2 3.42Å; V163-W173 VanDerWaalsContact CG1-CH2 3.42Å; V163-W173 HydrophobicContact CG1-CZ2 3.77Å; V163-W173 HydrophobicContact CG1-CZ3 3.66Å; V163-W173 VanDerWaalsContact O-CE2 3.26Å; V163-W173 WeakPolarHBondContact O-CZ2 3.37Å; V163-W173 PolarHBondContact O-NE1 3.44Å; I166-W173 HydrophobicContact CB-CZ2 4.17Å; I166-W173 HydrophobicContact CD1-CZ2 4.41Å; I166-W173 PolarHBondContact O-NE1 3.18Å; L171-W173 HydrophobicContact CD2-CZ2 3.75Å; L171-W173 HydrophobicContact CG-CZ2 4.49Å; W173-I190 HydrophobicContact CD2-CD1 4.31Å; W173-I190 HydrophobicContact CE3-CD1 3.57Å; W173-I190 HydrophobicContact CE3-CG1 3.92Å; W173-I190 HydrophobicContact CZ3-CD1 4Å; W173-I190 HydrophobicContact CZ3-CG1 4.25Å; W173-I190 HydrophobicContact CZ3-CG2 4.05Å; W173-C192 HydrophobicContact CD2-CB 4.4Å; W173-C192 HydrophobicContact CE3-CB 3.61Å; W173-C192 HydrophobicContact CZ3-CB 3.7Å; W173-L204 HydrophobicContact CH2-CD2 4.18Å; W173-L204 HydrophobicContact CZ2-CD2 4.24Å; W173-I208 HydrophobicContact CH2-CD1 4.16Å
174G89.2Confident85.7Confident29 Ų2977.6 Ų77.630%0.29942%0.423SS..EExtended strand (participates in β ladder)trans-99.5-148.4178.500000113R164 S191R164-G174 PolarHBondContact NH1-O 3.23Å; R164-G174 PolarHBondContact NH2-O 3.45Å; G174-S191 VanDerWaalsContact CA-O 3.3Å; G174-S191 WeakPolarHBondContact CA-O 3.05Å; G174-S191 WeakPolarHBondContact CA-OG 3.47Å; G174-S191 PolarHBondContact N-O 3.02Å
175Q89.9Confident85.5Confident168 Ų16875 Ų7579%0.78542%0.416SS*.EExtended strand (participates in β ladder)trans-75139.9176.3-65.1-177.8-8.900110.8S191Q175-S191 PolarHBondContact N-OG 3.37Å; Q175-S191 PolarHBondContact O-N 2.94Å; Q175-S191 PolarHBondContact O-OG 3.33Å
176S90.1Very high85.4Confident35 Ų3576.4 Ų76.425%0.24541%0.412CS..EExtended strand (participates in β ladder)trans-106.8149.3170.753.60000109.6E160 R164 Q189E160-S176 PolarHBondContact OE1-OG 2.83Å; E160-S176 PolarHBondContact OE2-OG 3.32Å; R164-S176 PolarHBondContact NH2-OG 2.84Å; S176-Q189 CarbonylContact C-O 3.59Å; S176-Q189 WeakPolarHBondContact CA-O 3.41Å
177K90.3Very high85.5Confident112 Ų11278.4 Ų78.449%0.48742%0.421SS..EExtended strand (participates in β ladder)trans-144.1145.6171.565.4-180-179.9167.80109.7V179 Q189K177-V179 HydrophobicContact CD-CG2 4.27Å; K177-V179 HydrophobicContact CG-CG2 4.17Å; K177-Q189 VanDerWaalsContact CE-CG 3.43Å; K177-Q189 HydrophobicContact CG-CB 3.84Å; K177-Q189 HydrophobicContact CG-CG 4.24Å; K177-Q189 PolarHBondContact N-O 3.33Å; K177-Q189 PolarHBondContact O-N 2.85Å
178L88.6Confident85.9Confident83 Ų8370.2 Ų70.244%0.43538%0.383SS..EExtended strand (participates in β ladder)trans-95119.3175.8-63.9171.4000109.1M156 K186 K187 L188M156-L178 HydrophobicContact CB-CD1 4.44Å; M156-L178 HydrophobicContact CB-CD2 4.11Å; M156-L178 HydrophobicContact CE-CD2 3.53Å; M156-L178 HydrophobicContact CG-CD2 4.35Å; L178-K186 HydrophobicContact CB-CD 4.5Å; L178-K187 WeakPolarHBondContact CA-O 3.14Å; L178-L188 HydrophobicContact CD2-CB 4.28Å; L178-L188 HydrophobicContact CD2-CD1 3.63Å; L178-L188 HydrophobicContact CG-CD1 4.46Å
179V88.6Confident86.4Confident41 Ų4169.7 Ų69.725%0.24838%0.379CS..EExtended strand (participates in β ladder)trans-108.5121.8179-177.30000109.1K177 V181 K186 K187 Q189K177-V179 HydrophobicContact CD-CG2 4.27Å; K177-V179 HydrophobicContact CG-CG2 4.17Å; V179-V181 PolarHBondContact O-N 2.79Å; V179-K186 CarbonylContact O-C 3.59Å; V179-K186 WeakPolarHBondContact O-CA 3.39Å; V179-K187 HydrophobicContact CB-CG 3.95Å; V179-K187 PolarHBondContact N-O 2.79Å; V179-K187 WeakPolarHBondContact O-CG 3.46Å; V179-K187 PolarHBondContact O-N 2.86Å; V179-Q189 HydrophobicContact CG2-CB 4.17Å
180P89.3Confident87Confident99 Ų9964 Ų6464%0.64335%0.349SS*.EExtended strand (participates in β ladder)trans-69.9131.3176.527.4-31.7000110.6K186P180-K186 HydrophobicContact CB-CG 4.46Å
181V82.9Confident87.6Confident73 Ų7364.8 Ų64.844%0.44235%0.353SS..EExtended strand (participates in β ladder)trans-102.2-23.3179.3-165.90000111.2V179 I185 K187V179-V181 PolarHBondContact O-N 2.79Å; V181-I185 PolarHBondContact N-O 3.22Å; V181-K187 HydrophobicContact CG2-CB 3.78Å; V181-K187 HydrophobicContact CG2-CD 3.65Å; V181-K187 HydrophobicContact CG2-CG 3.5Å; V181-K187 VanDerWaalsContact CG2-CG 3.5Å
182G81.8Confident87.8Confident35 Ų3563.9 Ų63.936%0.36135%0.348SS..EExtended strand (participates in β ladder)trans131.5163.4179.100000111.4G184 I185G182-G184 VanDerWaalsContact C-N 3.29Å; G182-G184 PolarHBondContact O-N 3.23Å; G182-I185 PolarHBondContact O-N 2.79Å
183Y79.3Confident87.8Confident232 Ų23261.5 Ų61.591%0.9133%0.333SS*.THydrogen-bonded Turntrans5438.2176.5-59.5-87.1000114.7I185Y183-I185 PolarHBondContact O-N 3.44Å; Y183-I185 VanDerWaalsContact O-N 3.17Å
184G78.9Confident87.7Confident52 Ų5259.6 Ų59.654%0.53633%0.326SS..THydrogen-bonded Turntrans82.5-22.9-178.400000114.5G182G182-G184 VanDerWaalsContact C-N 3.29Å; G182-G184 PolarHBondContact O-N 3.23Å
185I84.8Confident87.6Confident37 Ų3759.7 Ų59.719%0.1932%0.319CS..EExtended strand (participates in β ladder)trans-76.4128.4-175.8-53.6172.3000111.2P149 D152 V181 G182 Y183P149-I185 HydrophobicContact CG-CG2 4.28Å; D152-I185 HydrophobicContact CB-CG1 4.31Å; V181-I185 PolarHBondContact N-O 3.22Å; G182-I185 PolarHBondContact O-N 2.79Å; Y183-I185 PolarHBondContact O-N 3.44Å; Y183-I185 VanDerWaalsContact O-N 3.17Å
186K85.6Confident87.2Confident105 Ų10554.6 Ų54.646%0.45730%0.297SS..EExtended strand (participates in β ladder)trans-113.3135.7173.5-62.4174.1-172.8168.60108.9P149 M156 L178 V179 P180P149-K186 WeakPolarHBondContact CD-O 3.3Å; P149-K186 WeakPolarHBondContact CG-O 3.43Å; M156-K186 HydrophobicContact CE-CB 4.45Å; M156-K186 WeakPolarHBondContact CE-O 3.44Å; L178-K186 HydrophobicContact CB-CD 4.5Å; V179-K186 CarbonylContact O-C 3.59Å; V179-K186 WeakPolarHBondContact O-CA 3.39Å; P180-K186 HydrophobicContact CB-CG 4.46Å
187K89.9Confident86.6Confident55 Ų5558.8 Ų58.824%0.23932%0.317CS..EExtended strand (participates in β ladder)trans-91.4143.2168.861.7-178.8174168.40110D146 L178 V179 V181D146-K187 HydrophobicContact CB-CD 4.33Å; D146-K187 WeakPolarHBondContact OD2-CE 3.36Å; D146-K187 IonicContact OD2-NZ 2.71Å; D146-K187 PolarHBondContact OD2-NZ 2.97Å; L178-K187 WeakPolarHBondContact CA-O 3.14Å; V179-K187 HydrophobicContact CB-CG 3.95Å; V179-K187 PolarHBondContact N-O 2.79Å; V179-K187 WeakPolarHBondContact O-CG 3.46Å; V179-K187 PolarHBondContact O-N 2.86Å; V181-K187 HydrophobicContact CG2-CB 3.78Å; V181-K187 HydrophobicContact CG2-CD 3.65Å; V181-K187 HydrophobicContact CG2-CG 3.5Å; V181-K187 VanDerWaalsContact CG2-CG 3.5Å
188L90.2Very high86Confident0 Ų058.5 Ų58.50%032%0.315CS..EExtended strand (participates in β ladder)trans-86.5116.2171.6-178.871.6000108.2D146 V147 M156 L159 E160 L178D146-L188 CarbonylContact C-O 3.5Å; D146-L188 WeakPolarHBondContact CA-O 3.24Å; V147-L188 HydrophobicContact CB-CB 4.39Å; V147-L188 PolarHBondContact N-O 3.34Å; V147-L188 PolarHBondContact O-N 3.29Å; M156-L188 HydrophobicContact CE-CB 4.15Å; L159-L188 HydrophobicContact CD2-CB 4.16Å; L159-L188 HydrophobicContact CD2-CD2 3.39Å; L159-L188 HydrophobicContact CD2-CG 4.4Å; E160-L188 HydrophobicContact CB-CD2 4.08Å; E160-L188 HydrophobicContact CG-CD2 4.5Å; L178-L188 HydrophobicContact CD2-CB 4.28Å; L178-L188 HydrophobicContact CD2-CD1 3.63Å; L178-L188 HydrophobicContact CG-CD1 4.46Å
189Q91Very high85.4Confident24 Ų2454.8 Ų54.811%0.11230%0.296CS..EExtended strand (participates in β ladder)trans-103.6108.6174.8-179161.523.300108.5L144 L145 D146 S176 K177 V179L144-Q189 HydrophobicContact CD2-CG 3.2Å; L145-Q189 CarbonylContact O-C 3.58Å; L145-Q189 WeakPolarHBondContact O-CA 3.24Å; D146-Q189 VanDerWaalsContact OD1-CB 3.26Å; D146-Q189 WeakPolarHBondContact OD1-CB 3.42Å; D146-Q189 WeakPolarHBondContact OD1-CG 3.48Å; S176-Q189 CarbonylContact C-O 3.59Å; S176-Q189 WeakPolarHBondContact CA-O 3.41Å; K177-Q189 VanDerWaalsContact CE-CG 3.43Å; K177-Q189 HydrophobicContact CG-CB 3.84Å; K177-Q189 HydrophobicContact CG-CG 4.24Å; K177-Q189 PolarHBondContact N-O 3.33Å; K177-Q189 PolarHBondContact O-N 2.85Å; V179-Q189 HydrophobicContact CG2-CB 4.17Å
190I92.2Very high85Confident0 Ų054.3 Ų54.30%030%0.3CS..EExtended strand (participates in β ladder)trans-116.7133.4-175.8-169165.6000111L145 V163 W173L145-I190 HydrophobicContact CB-CG2 4.03Å; L145-I190 PolarHBondContact N-O 3.49Å; L145-I190 PolarHBondContact O-N 2.97Å; V163-I190 HydrophobicContact CG1-CD1 3.93Å; V163-I190 HydrophobicContact CG1-CG2 4.35Å; W173-I190 HydrophobicContact CD2-CD1 4.31Å; W173-I190 HydrophobicContact CE3-CD1 3.57Å; W173-I190 HydrophobicContact CE3-CG1 3.92Å; W173-I190 HydrophobicContact CZ3-CD1 4Å; W173-I190 HydrophobicContact CZ3-CG1 4.25Å; W173-I190 HydrophobicContact CZ3-CG2 4.05Å
191S91.8Very high84.5Confident29 Ų2952 Ų5220%0.20328%0.284CS..EExtended strand (participates in β ladder)trans-88.1140.8171.454.70000110.1L143 G174 Q175L143-S191 CarbonylContact O-C 3.6Å; L143-S191 WeakPolarHBondContact O-CA 3.42Å; G174-S191 VanDerWaalsContact CA-O 3.3Å; G174-S191 WeakPolarHBondContact CA-O 3.05Å; G174-S191 WeakPolarHBondContact CA-OG 3.47Å; G174-S191 PolarHBondContact N-O 3.02Å; Q175-S191 PolarHBondContact N-OG 3.37Å; Q175-S191 PolarHBondContact O-N 2.94Å; Q175-S191 PolarHBondContact O-OG 3.33Å
192C90.3Very high84.6Confident0 Ų053.7 Ų53.70%029%0.29CS..EExtended strand (participates in β ladder)trans-137.4154.8167.862.10000110.5S142 L143 L171 V172 W173S142-C192 CarbonylContact C-O 3.36Å; S142-C192 WeakPolarHBondContact CA-O 3.31Å; L143-C192 PolarHBondContact N-O 3.44Å; L143-C192 PolarHBondContact O-N 3.42Å; L171-C192 HydrophobicContact CD1-CB 4.08Å; V172-C192 CarbonylContact O-C 3.5Å; V172-C192 VanDerWaalsContact O-CA 3.27Å; V172-C192 WeakPolarHBondContact O-CA 3.26Å; W173-C192 HydrophobicContact CD2-CB 4.4Å; W173-C192 HydrophobicContact CE3-CB 3.61Å; W173-C192 HydrophobicContact CZ3-CB 3.7Å
193V89Confident84.8Confident42 Ų4255.4 Ų55.426%0.25529%0.291SS..EExtended strand (participates in β ladder)trans-115.3123172.4175.10000107.1K140 S141 V172 I226K140-V193 HydrophobicContact CB-CG1 4.21Å; K140-V193 HydrophobicContact CD-CG1 4.31Å; S141-V193 CarbonylContact O-C 3.5Å; S141-V193 WeakPolarHBondContact O-CA 3.34Å; V172-V193 HydrophobicContact CB-CB 4.33Å; V172-V193 PolarHBondContact N-O 3.27Å; V172-V193 PolarHBondContact O-N 3.28Å; V193-I226 HydrophobicContact CG1-CD1 3.8Å; V193-I226 HydrophobicContact CG2-CD1 4.24Å
194V88.9Confident85Confident1 Ų144.4 Ų44.41%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-113.6147.1178.5-62.80000110.6K140 S141 L143 G170 L171 V199 L204K140-V194 CarbonylContact C-O 3.45Å; K140-V194 VanDerWaalsContact CA-O 3.24Å; K140-V194 WeakPolarHBondContact CA-O 3.13Å; S141-V194 PolarHBondContact N-O 2.91Å; S141-V194 PolarHBondContact O-N 2.94Å; L143-V194 HydrophobicContact CD1-CB 4.26Å; L143-V194 HydrophobicContact CD1-CG1 3.77Å; L143-V194 HydrophobicContact CD1-CG2 3.45Å; L143-V194 VanDerWaalsContact CD1-CG2 3.45Å; G170-V194 CarbonylContact O-C 3.57Å; G170-V194 WeakPolarHBondContact O-CA 3.35Å; L171-V194 HydrophobicContact CD1-CG1 3.67Å; V194-V199 HydrophobicContact CB-CB 4.16Å; V194-V199 HydrophobicContact CB-CG1 4.28Å; V194-V199 HydrophobicContact CG1-CB 4.29Å; V194-V199 HydrophobicContact CG1-CG1 3.86Å; V194-L204 HydrophobicContact CG1-CD1 3.53Å
195E86.4Confident85.3Confident30 Ų3046.1 Ų46.114%0.1424%0.242CC..EExtended strand (participates in β ladder)trans-84.9112.8163.1-61.7-168.7162.300108.8I138 K140 G170 D197 K198 V199I138-E195 HydrophobicContact CG2-CB 3.65Å; I138-E195 HydrophobicContact CG2-CG 3.34Å; K140-E195 HydrophobicContact CG-CG 4.43Å; G170-E195 PolarHBondContact O-N 3.39Å; E195-D197 PolarHBondContact O-N 3.24Å; E195-D197 VanDerWaalsContact O-N 3.14Å; E195-K198 PolarHBondContact O-N 2.98Å; E195-K198 IonicContact OE2-NZ 3.45Å; E195-K198 PolarHBondContact OE2-NZ 3.07Å; E195-V199 PolarHBondContact O-N 3.22Å
196D80.6Confident85.4Confident61 Ų6150.9 Ų50.933%0.32626%0.263SS..THydrogen-bonded Turntrans-58.6-31.6-171.7-71.2-3.5000112.7A139 S141 K198A139-D196 HydrophobicContact CB-CB 4.31Å; A139-D196 PolarHBondContact O-N 3.28Å; S141-D196 WeakPolarHBondContact CB-OD1 3.33Å; S141-D196 VanDerWaalsContact OG-CG 3.25Å; S141-D196 PolarHBondContact OG-OD1 3.11Å; S141-D196 PolarHBondContact OG-OD2 2.79Å; S141-D196 VanDerWaalsContact OG-OD2 3.08Å; D196-K198 VanDerWaalsContact C-N 3.26Å; D196-K198 PolarHBondContact O-N 3.09Å
197D78.8Confident85.5Confident123 Ų12350 Ų5066%0.65826%0.259SS*.THydrogen-bonded Turntrans-72.6-16.6-179.2-72.7-20.2000113.5E195E195-D197 PolarHBondContact O-N 3.24Å; E195-D197 VanDerWaalsContact O-N 3.14Å
198K76.5Confident85.3Confident106 Ų10647.4 Ų47.446%0.46125%0.248SC..THydrogen-bonded Turntrans-122.3-38.9-173.1-65.4-176.1-174.8170.10113.8D169 E195 D196D169-K198 IonicContact OD1-NZ 3.27Å; D169-K198 PolarHBondContact OD1-NZ 3.49Å; D169-K198 WeakPolarHBondContact OD2-CE 3.4Å; D169-K198 IonicContact OD2-NZ 2.8Å; D169-K198 PolarHBondContact OD2-NZ 2.98Å; E195-K198 PolarHBondContact O-N 2.98Å; E195-K198 IonicContact OE2-NZ 3.45Å; E195-K198 PolarHBondContact OE2-NZ 3.07Å; D196-K198 VanDerWaalsContact C-N 3.26Å; D196-K198 PolarHBondContact O-N 3.09Å
199V77.3Confident85Confident6 Ų649.8 Ų49.84%0.03626%0.263CS..  trans-119.798.4-172.9-177.10000108.5M168 D169 L171 V194 E195 L204M168-V199 HydrophobicContact CB-CG2 4.3Å; M168-V199 HydrophobicContact CE-CG1 3.66Å; D169-V199 WeakPolarHBondContact O-CG2 3.46Å; L171-V199 HydrophobicContact CB-CG2 4.5Å; V194-V199 HydrophobicContact CB-CB 4.16Å; V194-V199 HydrophobicContact CB-CG1 4.28Å; V194-V199 HydrophobicContact CG1-CB 4.29Å; V194-V199 HydrophobicContact CG1-CG1 3.86Å; E195-V199 PolarHBondContact O-N 3.22Å; V199-L204 HydrophobicContact CG1-CD1 4.05Å; V199-L204 HydrophobicContact CG1-CG 4.04Å
200G78.8Confident84.9Confident31 Ų3152.1 Ų52.132%0.3229%0.286SS..  trans-71.3150.616900000111.5D202 I203G200-D202 PolarHBondContact O-N 2.93Å; G200-I203 PolarHBondContact O-N 2.93Å
201T80.1Confident84.5Confident51 Ų5155 Ų5531%0.31330%0.298SS..Hα-helixtrans-60-31.8173.745.30000112.4L143 I203 L204 E205L143-T201 HydrophobicContact CD1-CG2 3.88Å; L143-T201 HydrophobicContact CD2-CG2 3.59Å; L143-T201 HydrophobicContact CG-CG2 4.37Å; T201-I203 PolarHBondContact O-N 2.87Å; T201-L204 WeakPolarHBondContact O-CB 3.26Å; T201-L204 PolarHBondContact O-N 2.8Å; T201-E205 PolarHBondContact O-N 3.49Å
202D84.7Confident83.8Confident108 Ų10860.5 Ų60.558%0.57832%0.321SS*.Hα-helixtrans-65.5-39.5-177.5-48.4-29.7000111.3G200 L204 E205 E206G200-D202 PolarHBondContact O-N 2.93Å; D202-L204 VanDerWaalsContact C-N 3.31Å; D202-L204 PolarHBondContact O-N 3.4Å; D202-E205 PolarHBondContact O-N 2.78Å; D202-E206 WeakPolarHBondContact O-CG 3.49Å; D202-E206 PolarHBondContact O-N 2.84Å
203I85.8Confident83.4Confident71 Ų7167.3 Ų67.336%0.36436%0.357SS..Hα-helixtrans-65.8-37.7176.4-60.7170.4000110.6M168 G200 T201 K207M168-I203 HydrophobicContact CE-CG2 4.09Å; M168-I203 HydrophobicContact SD-CG2 3.69Å; G200-I203 PolarHBondContact O-N 2.93Å; T201-I203 PolarHBondContact O-N 2.87Å; I203-K207 WeakPolarHBondContact O-CB 3.43Å; I203-K207 WeakPolarHBondContact O-CG 3.37Å; I203-K207 PolarHBondContact O-N 3.03Å
204L84.4Confident83Confident1 Ų168.2 Ų68.21%0.00536%0.358CS..Hα-helixtrans-66.4-43.5176-79169.1000111.3L143 M168 L171 W173 V194 V199 T201 D202 K207 I208L143-L204 HydrophobicContact CD1-CD1 4.33Å; M168-L204 HydrophobicContact CE-CD2 3.46Å; M168-L204 VanDerWaalsContact CE-CD2 3.46Å; M168-L204 HydrophobicContact CE-CG 3.86Å; L171-L204 HydrophobicContact CD1-CD1 4.05Å; L171-L204 HydrophobicContact CD1-CD2 3.75Å; L171-L204 HydrophobicContact CD1-CG 4.47Å; L171-L204 HydrophobicContact CD2-CD2 3.76Å; L171-L204 HydrophobicContact CG-CD2 4.41Å; W173-L204 HydrophobicContact CH2-CD2 4.18Å; W173-L204 HydrophobicContact CZ2-CD2 4.24Å; V194-L204 HydrophobicContact CG1-CD1 3.53Å; V199-L204 HydrophobicContact CG1-CD1 4.05Å; V199-L204 HydrophobicContact CG1-CG 4.04Å; T201-L204 WeakPolarHBondContact O-CB 3.26Å; T201-L204 PolarHBondContact O-N 2.8Å; D202-L204 VanDerWaalsContact C-N 3.31Å; D202-L204 PolarHBondContact O-N 3.4Å; L204-K207 PolarHBondContact O-N 2.99Å; L204-I208 WeakPolarHBondContact O-CB 3.49Å; L204-I208 WeakPolarHBondContact O-CD1 3.27Å; L204-I208 WeakPolarHBondContact O-CG1 3.42Å; L204-I208 PolarHBondContact O-N 2.89Å
205E85.1Confident82.8Confident88 Ų8868.5 Ų68.541%0.41136%0.359SS..Hα-helixtrans-60.5-48.5175.9-174.5172.3171.300111T201 D202 K207 I208 T209 M218T201-E205 PolarHBondContact O-N 3.49Å; D202-E205 PolarHBondContact O-N 2.78Å; E205-K207 PolarHBondContact O-N 3.39Å; E205-I208 PolarHBondContact O-N 3.45Å; E205-T209 HydrophobicContact CG-CG2 4.2Å; E205-T209 VanDerWaalsContact O-CB 3.31Å; E205-T209 WeakPolarHBondContact O-CB 3.31Å; E205-T209 VanDerWaalsContact O-CG2 3.26Å; E205-T209 WeakPolarHBondContact O-CG2 3.2Å; E205-T209 PolarHBondContact O-N 2.69Å; E205-T209 PolarHBondContact O-OG1 3.46Å; E205-M218 HydrophobicContact CB-CE 4.41Å; E205-M218 HydrophobicContact CB-SD 4.05Å; E205-M218 HydrophobicContact CG-SD 3.82Å
206E86.8Confident82.8Confident136 Ų13671 Ų7164%0.63637%0.371SS*.Hα-helixtrans-58.2-47177-75.4-178.5175.600112.4D202 I208 T209 A210D202-E206 WeakPolarHBondContact O-CG 3.49Å; D202-E206 PolarHBondContact O-N 2.84Å; E206-I208 PolarHBondContact O-N 3.16Å; E206-T209 PolarHBondContact O-OG1 2.88Å; E206-A210 VanDerWaalsContact O-CB 3.27Å; E206-A210 WeakPolarHBondContact O-CB 3.32Å; E206-A210 PolarHBondContact O-N 2.71Å
207K86.6Confident83.1Confident87 Ų8770 Ų7038%0.37837%0.369SS..Hα-helixtrans-68.8-35.3-179.2-74.8-167.9178.2-177.40113.2I166 M168 I203 L204 E205 F211I166-K207 HydrophobicContact CD1-CB 3.9Å; I166-K207 HydrophobicContact CG1-CB 4.34Å; I166-K207 HydrophobicContact CG2-CB 4.44Å; I166-K207 HydrophobicContact CG2-CD 3.69Å; M168-K207 HydrophobicContact CE-CD 4.45Å; M168-K207 HydrophobicContact SD-CD 3.91Å; M168-K207 PolarHBondContact SD-NZ 3.05Å; I203-K207 WeakPolarHBondContact O-CB 3.43Å; I203-K207 WeakPolarHBondContact O-CG 3.37Å; I203-K207 PolarHBondContact O-N 3.03Å; L204-K207 PolarHBondContact O-N 2.99Å; E205-K207 PolarHBondContact O-N 3.39Å; K207-F211 VanDerWaalsContact O-CD2 3.24Å; K207-F211 WeakPolarHBondContact O-CD2 3.47Å; K207-F211 VanDerWaalsContact O-CE2 3.3Å; K207-F211 WeakPolarHBondContact O-CE2 3.35Å
208I86.6Confident83.5Confident0 Ų064.9 Ų64.90%034%0.341CS..Hα-helixtrans-75.3-41.2179.3-66.1166000110.3L145 V147 I166 W173 L204 E205 E206 A210 F211 V215 M218L145-I208 HydrophobicContact CD1-CD1 3.87Å; V147-I208 HydrophobicContact CG1-CG2 4.16Å; V147-I208 HydrophobicContact CG2-CG2 4.05Å; I166-I208 HydrophobicContact CD1-CG1 3.72Å; W173-I208 HydrophobicContact CH2-CD1 4.16Å; L204-I208 WeakPolarHBondContact O-CB 3.49Å; L204-I208 WeakPolarHBondContact O-CD1 3.27Å; L204-I208 WeakPolarHBondContact O-CG1 3.42Å; L204-I208 PolarHBondContact O-N 2.89Å; E205-I208 PolarHBondContact O-N 3.45Å; E206-I208 PolarHBondContact O-N 3.16Å; I208-A210 VanDerWaalsContact C-N 3.31Å; I208-F211 PolarHBondContact O-N 2.85Å; I208-V215 HydrophobicContact CG2-CG1 4.42Å; I208-V215 HydrophobicContact CG2-CG2 4.45Å; I208-M218 HydrophobicContact CG2-CB 4.23Å; I208-M218 HydrophobicContact CG2-CG 4.21Å
209T83.6Confident84.2Confident51 Ų5164.3 Ų64.331%0.31334%0.343SS..Hα-helixtrans-73.6-21.9178.556.60000113E205 E206 F211 E212 M218E205-T209 HydrophobicContact CG-CG2 4.2Å; E205-T209 VanDerWaalsContact O-CB 3.31Å; E205-T209 WeakPolarHBondContact O-CB 3.31Å; E205-T209 VanDerWaalsContact O-CG2 3.26Å; E205-T209 WeakPolarHBondContact O-CG2 3.2Å; E205-T209 PolarHBondContact O-N 2.69Å; E205-T209 PolarHBondContact O-OG1 3.46Å; E206-T209 PolarHBondContact O-OG1 2.88Å; T209-F211 PolarHBondContact O-N 3.43Å; T209-F211 VanDerWaalsContact O-N 3.16Å; T209-E212 WeakPolarHBondContact O-CG 3.4Å; T209-E212 PolarHBondContact O-N 2.78Å; T209-M218 HydrophobicContact CG2-CB 4.09Å
210A88.3Confident84.8Confident72 Ų7267.6 Ų67.660%0.59536%0.363SS*.THydrogen-bonded Turntrans-60.9-20171.300000113.6E206 I208 E212E206-A210 VanDerWaalsContact O-CB 3.27Å; E206-A210 WeakPolarHBondContact O-CB 3.32Å; E206-A210 PolarHBondContact O-N 2.71Å; I208-A210 VanDerWaalsContact C-N 3.31Å; A210-E212 PolarHBondContact O-N 3.14Å
211F83.4Confident85.2Confident61 Ų6168.5 Ų68.527%0.26837%0.367SS..  trans-8255.3170.9-61.4-70.8000111.3C162 I166 K207 I208 T209 D213 F214 V215C162-F211 HydrophobicContact CB-CD1 4.27Å; C162-F211 HydrophobicContact CB-CD2 4.45Å; C162-F211 HydrophobicContact CB-CE1 4.2Å; C162-F211 HydrophobicContact CB-CE2 4.36Å; C162-F211 HydrophobicContact CB-CG 4.4Å; C162-F211 HydrophobicContact CB-CZ 4.24Å; I166-F211 HydrophobicContact CD1-CE2 3.99Å; I166-F211 HydrophobicContact CG1-CE2 4.11Å; K207-F211 VanDerWaalsContact O-CD2 3.24Å; K207-F211 WeakPolarHBondContact O-CD2 3.47Å; K207-F211 VanDerWaalsContact O-CE2 3.3Å; K207-F211 WeakPolarHBondContact O-CE2 3.35Å; I208-F211 PolarHBondContact O-N 2.85Å; T209-F211 PolarHBondContact O-N 3.43Å; T209-F211 VanDerWaalsContact O-N 3.16Å; F211-D213 PolarHBondContact O-N 2.94Å; F211-F214 PolarHBondContact O-N 3.4Å; F211-V215 HydrophobicContact CB-CG2 4.23Å; F211-V215 PolarHBondContact O-N 2.96Å
212E78.8Confident85.6Confident144 Ų14467.7 Ų67.767%0.67337%0.366SS*.THydrogen-bonded Turntrans-55.6-26.5-176.3-64-175167.900113.1W150 T209 A210 F214W150-E212 PolarHBondContact NE1-O 2.77Å; T209-E212 WeakPolarHBondContact O-CG 3.4Å; T209-E212 PolarHBondContact O-N 2.78Å; A210-E212 PolarHBondContact O-N 3.14Å; E212-F214 VanDerWaalsContact C-N 3.28Å; E212-F214 PolarHBondContact O-N 2.82Å
213D80.9Confident85.8Confident144 Ų14467 Ų6777%0.7736%0.358SS*.THydrogen-bonded Turntrans-67.3-26.3178.3-65.7-36.8000113.4F211F211-D213 PolarHBondContact O-N 2.94Å
214F80.1Confident86Confident61 Ų6168 Ų6827%0.26836%0.364SS..THydrogen-bonded Turntrans-119.1-28.6-174.7-60.8-80.3000112.9P149 T154 L159 F211 E212P149-F214 WeakPolarHBondContact CA-O 3.36Å; T154-F214 HydrophobicContact CG2-CB 4.34Å; T154-F214 HydrophobicContact CG2-CD1 3.9Å; L159-F214 HydrophobicContact CD1-CB 4.31Å; L159-F214 WeakPolarHBondContact CD1-O 3.34Å; L159-F214 HydrophobicContact CG-CB 4.38Å; F211-F214 PolarHBondContact O-N 3.4Å; E212-F214 VanDerWaalsContact C-N 3.28Å; E212-F214 PolarHBondContact O-N 2.82Å
215V85.8Confident86.1Confident6 Ų675.7 Ų75.74%0.03640%0.398CS..EExtended strand (participates in β ladder)trans-109.4121.8-173.4-179.60000109.8V147 W150 L159 I208 F211V147-V215 HydrophobicContact CG1-CB 4.16Å; V147-V215 HydrophobicContact CG1-CG1 3.58Å; V147-V215 HydrophobicContact CG1-CG2 3.56Å; W150-V215 PolarHBondContact NE1-O 3.14Å; L159-V215 HydrophobicContact CD1-CG2 4.3Å; L159-V215 HydrophobicContact CG-CG2 4.34Å; I208-V215 HydrophobicContact CG2-CG1 4.42Å; I208-V215 HydrophobicContact CG2-CG2 4.45Å; F211-V215 HydrophobicContact CB-CG2 4.23Å; F211-V215 PolarHBondContact O-N 2.96Å
216Q86.6Confident85.7Confident84 Ų8478.3 Ų78.339%0.39341%0.413SS..EExtended strand (participates in β ladder)trans-80.5-47.9170.7173.3-179.367.400110.9K148 W150K148-Q216 VanDerWaalsContact CD-OE1 3.29Å; K148-Q216 VanDerWaalsContact CE-OE1 3.24Å; K148-Q216 WeakPolarHBondContact O-CB 3.16Å; K148-Q216 PolarHBondContact O-N 3.34Å; W150-Q216 HydrophobicContact CD2-CB 3.91Å; W150-Q216 HydrophobicContact CD2-CG 4.32Å; W150-Q216 HydrophobicContact CE3-CB 4.21Å; W150-Q216 HydrophobicContact CE3-CG 4.13Å; W150-Q216 HydrophobicContact CG-CB 4.2Å; W150-Q216 HydrophobicContact CH2-CG 4.41Å; W150-Q216 HydrophobicContact CZ3-CG 4.18Å
217S86.6Confident85.6Confident39 Ų3975.5 Ų75.527%0.27340%0.402SS..EExtended strand (participates in β ladder)trans-155.6159.4-179.768.90000111.1K148K148-S217 PolarHBondContact N-O 2.97Å; K148-S217 PolarHBondContact O-N 2.9Å
218M87.7Confident85.6Confident15 Ų1574.8 Ų74.87%0.07440%0.403CS..EExtended strand (participates in β ladder)trans-123.4135.2174.6173.3-86.4-171.600108.6L145 E205 I208 T209 V220L145-M218 HydrophobicContact CB-CE 4.33Å; L145-M218 HydrophobicContact CD1-CE 4.15Å; L145-M218 HydrophobicContact CD2-CE 3.24Å; L145-M218 HydrophobicContact CG-CE 4.08Å; E205-M218 HydrophobicContact CB-CE 4.41Å; E205-M218 HydrophobicContact CB-SD 4.05Å; E205-M218 HydrophobicContact CG-SD 3.82Å; I208-M218 HydrophobicContact CG2-CB 4.23Å; I208-M218 HydrophobicContact CG2-CG 4.21Å; T209-M218 HydrophobicContact CG2-CB 4.09Å; M218-V220 HydrophobicContact CE-CG2 4.19Å
219D90Very high85.5Confident94 Ų9479 Ų7950%0.50343%0.425SS..EExtended strand (participates in β ladder)trans-130.3143.4-179.8-72.6-75.4000110.4D146 A221D146-D219 HydrophobicContact CB-CB 4.31Å; D146-D219 PolarHBondContact N-O 2.8Å; D146-D219 PolarHBondContact O-N 2.83Å; D219-A221 PolarHBondContact O-N 3.34Å
220V89.3Confident85.6Confident76 Ų7680.6 Ų80.646%0.46143%0.432SS..EExtended strand (participates in β ladder)trans-86.8104.6171.3-177.10000109.1L143 L145 M218 F223L143-V220 HydrophobicContact CD2-CG1 4.16Å; L145-V220 HydrophobicContact CD2-CG2 4.23Å; M218-V220 HydrophobicContact CE-CG2 4.19Å; V220-F223 HydrophobicContact CG1-CB 4.48Å
221A88.3Confident85.5Confident49 Ų4981.2 Ų81.241%0.40542%0.422SS..EExtended strand (participates in β ladder)trans-75.8-36.6179.300000112.8L144 D146 D219L144-A221 WeakPolarHBondContact O-CA 3.27Å; L144-A221 WeakPolarHBondContact O-CB 3.36Å; L144-A221 PolarHBondContact O-N 3.27Å; D146-A221 HydrophobicContact CB-CB 4.41Å; D219-A221 PolarHBondContact O-N 3.34Å
222A89.2Confident85.6Confident34 Ų3482.5 Ų82.528%0.28143%0.432SS..EExtended strand (participates in β ladder)trans-154.8149174.500000111.7L144L144-A222 HydrophobicContact CB-CB 3.86Å; L144-A222 HydrophobicContact CD1-CB 4.32Å; L144-A222 PolarHBondContact N-O 3.17Å; L144-A222 PolarHBondContact O-N 3.24Å
223F88.8Confident86.1Confident93 Ų9378.1 Ų78.141%0.40842%0.415SS..EExtended strand (participates in β ladder)trans-130.8118.7177179.5-94.3000109.3S141 L143 V220 K225S141-F223 VanDerWaalsContact OG-CZ 3.28Å; S141-F223 WeakPolarHBondContact OG-CZ 3.42Å; L143-F223 HydrophobicContact CD2-CD2 3.54Å; L143-F223 HydrophobicContact CD2-CE2 4.14Å; L143-F223 HydrophobicContact CG-CD2 4.01Å; L143-F223 HydrophobicContact CG-CE2 4.36Å; V220-F223 HydrophobicContact CG1-CB 4.48Å; F223-K225 HydrophobicContact CE1-CD 4.28Å; F223-K225 HydrophobicContact CE1-CG 3.61Å; F223-K225 HydrophobicContact CZ-CG 4.08Å
224N88.9Confident86.5Confident92 Ų9273.1 Ų73.149%0.49239%0.388SS..EExtended strand (participates in β ladder)trans-126125.4179.1-63-63.1000109.8S141 S142S141-N224 CarbonylContact C-O 3.59Å; S141-N224 WeakPolarHBondContact CA-O 3.21Å; S142-N224 PolarHBondContact N-O 3.07Å; S142-N224 PolarHBondContact O-N 3.21Å
225K86.2Confident87Confident164 Ų16474.1 Ų74.171%0.71340%0.398SS*.EExtended strand (participates in β ladder)trans-80.1136.2171.3-62.7-171.2175.7-166.90109.8F223F223-K225 HydrophobicContact CE1-CD 4.28Å; F223-K225 HydrophobicContact CE1-CG 3.61Å; F223-K225 HydrophobicContact CZ-CG 4.08Å
226I76.9Confident87.1Confident143 Ų14380.3 Ų80.373%0.73343%0.43SS*.  trans-129.70-177.949.8164.6000112.7K140 V193K140-I226 HydrophobicContact CB-CD1 3.81Å; K140-I226 HydrophobicContact CB-CG1 3.63Å; K140-I226 PolarHBondContact N-O 3.06Å; K140-I226 WeakPolarHBondContact O-CG1 3.48Å; K140-I226 PolarHBondContact O-N 3.45Å; V193-I226 HydrophobicContact CG1-CD1 3.8Å; V193-I226 HydrophobicContact CG2-CD1 4.24Å

Retrieved 226 of 226 residues in 351.9 ms (Link to these results)

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