A0A0D9S1W8_CHLSB Loading...

Coactosin-like protein

Binds to F-actin in a calcium-independent manner. Has no direct effect on actin depolymerization. Acts as a chaperone for ALOX5 (5LO), influencing both its stability and activity in leukotrienes synthesis.

AlphaFold DB , UniProt , Accession A0A0D9S1W8, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene COTL1, Length 142 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
1M66.5Low94.2Very high206 Ų20687.7 Ų87.7100%1.01544%0.444SS*.  0137.60-132.2171.7-87.400108.1
2A88.8Confident94.6Very high79 Ų7985.7 Ų85.765%0.65345%0.45SS*.  trans-71.4136.3178.100000110
3T95.7Very high94.9Very high33 Ų3379.5 Ų79.520%0.20242%0.419CS..  trans-65.5138.8176-48.70000109.9Y31 S34 I36 D97 L100T3-Y31 HydrophobicContact CG2-CD1 4.49Å; T3-Y31 HydrophobicContact CG2-CE1 3.94Å; T3-S34 CarbonylContact C-O 3.51Å; T3-S34 VanDerWaalsContact CA-O 3.26Å; T3-S34 WeakPolarHBondContact CA-O 3.34Å; T3-I36 HydrophobicContact CG2-CD1 4.01Å; T3-I36 HydrophobicContact CG2-CG1 4.15Å; T3-D97 WeakPolarHBondContact CB-OD1 3.08Å; T3-D97 HydrophobicContact CG2-CB 4.25Å; T3-D97 WeakPolarHBondContact CG2-OD1 3.36Å; T3-D97 PolarHBondContact OG1-OD1 3.01Å; T3-D97 PolarHBondContact OG1-OD2 2.89Å; T3-L100 HydrophobicContact CG2-CD1 3.8Å
4K97.3Very high95.1Very high139 Ų13974.4 Ų74.460%0.60439%0.391SS*.EExtended strand (participates in β ladder)trans-122.8170.5173.9-61.4179.5-175.3178.10109.7S34 T35 I36K4-S34 PolarHBondContact N-O 2.8Å; K4-T35 HydrophobicContact CB-CG2 4.38Å; K4-T35 CarbonylContact O-C 3.56Å; K4-T35 WeakPolarHBondContact O-CA 3.38Å; K4-I36 PolarHBondContact O-N 3.4Å
5I98.1Very high95.3Very high21 Ų2174.2 Ų74.211%0.10839%0.391CS..EExtended strand (participates in β ladder)trans-131.4134.6171.2-176.9167.5000109.4K7 C10 I36 L100 V101 V104I5-K7 VanDerWaalsContact C-N 3.31Å; I5-K7 HydrophobicContact CG2-CG 3.79Å; I5-K7 PolarHBondContact O-N 2.96Å; I5-C10 HydrophobicContact CD1-CB 4.17Å; I5-C10 HydrophobicContact CG1-CB 4.32Å; I5-I36 WeakPolarHBondContact CA-O 3.46Å; I5-I36 HydrophobicContact CB-CB 4.18Å; I5-I36 HydrophobicContact CD1-CB 4.49Å; I5-I36 HydrophobicContact CD1-CG2 4.2Å; I5-I36 HydrophobicContact CG1-CB 4.05Å; I5-I36 HydrophobicContact CG1-CG2 4.15Å; I5-L100 HydrophobicContact CB-CB 4.21Å; I5-L100 WeakPolarHBondContact CD1-O 3.48Å; I5-L100 HydrophobicContact CG2-CB 3.99Å; I5-V101 HydrophobicContact CD1-CG2 4.47Å; I5-V104 HydrophobicContact CD1-CG2 3.95Å
6D98.3Very high95.5Very high67 Ų6773.3 Ų73.336%0.35839%0.386SS..  trans-74.289.2165.4-173.4-21.9000108.6E8 A9 C10 T35 I36 V37D6-E8 VanDerWaalsContact C-N 3.25Å; D6-E8 PolarHBondContact O-N 2.86Å; D6-E8 PolarHBondContact OD1-N 2.81Å; D6-A9 HydrophobicContact CB-CB 4.23Å; D6-A9 VanDerWaalsContact CG-CB 3.48Å; D6-A9 PolarHBondContact OD1-N 2.93Å; D6-A9 VanDerWaalsContact OD1-N 3.07Å; D6-A9 WeakPolarHBondContact OD2-CB 3.36Å; D6-C10 WeakPolarHBondContact O-CB 3.46Å; D6-C10 PolarHBondContact O-N 3.2Å; D6-C10 PolarHBondContact O-SG 3.18Å; D6-T35 HydrophobicContact CB-CG2 4.48Å; D6-I36 PolarHBondContact N-O 3.27Å; D6-V37 HydrophobicContact CB-CG1 4.11Å
7K98Very high95.6Very high96 Ų9669 Ų6942%0.41736%0.363SS..Hα-helixtrans-61.9-33.4-174.9-67.7-173.2177-173.30112.7I5 R11 E103 V104I5-K7 VanDerWaalsContact C-N 3.31Å; I5-K7 HydrophobicContact CG2-CG 3.79Å; I5-K7 PolarHBondContact O-N 2.96Å; K7-R11 WeakPolarHBondContact O-CB 3.46Å; K7-R11 PolarHBondContact O-N 3.21Å; K7-E103 WeakPolarHBondContact CE-OE2 3.23Å; K7-E103 IonicContact NZ-OE2 2.77Å; K7-E103 PolarHBondContact NZ-OE2 3.06Å; K7-V104 HydrophobicContact CB-CG2 4.36Å; K7-V104 HydrophobicContact CG-CG2 4.32Å
8E98.3Very high95.7Very high164 Ų16470.4 Ų70.477%0.76636%0.363SS*.Hα-helixtrans-72.8-53.5-176.7-173.5176.2168.500110.1D6 C10 R11 A12D6-E8 VanDerWaalsContact C-N 3.25Å; D6-E8 PolarHBondContact O-N 2.86Å; D6-E8 PolarHBondContact OD1-N 2.81Å; E8-C10 PolarHBondContact O-N 3.37Å; E8-R11 PolarHBondContact O-N 3.36Å; E8-A12 PolarHBondContact O-N 3.42Å
9A98.3Very high95.6Very high34 Ų3471.4 Ų71.428%0.28137%0.369SS..Hα-helixtrans-61.9-44178.500000111.5D6 R11 A12 A13 P38D6-A9 HydrophobicContact CB-CB 4.23Å; D6-A9 VanDerWaalsContact CG-CB 3.48Å; D6-A9 PolarHBondContact OD1-N 2.93Å; D6-A9 VanDerWaalsContact OD1-N 3.07Å; D6-A9 WeakPolarHBondContact OD2-CB 3.36Å; A9-R11 VanDerWaalsContact C-N 3.3Å; A9-R11 PolarHBondContact O-N 2.87Å; A9-A12 PolarHBondContact O-N 3.36Å; A9-A13 PolarHBondContact O-N 3.42Å; A9-A13 VanDerWaalsContact O-N 3.09Å; A9-P38 HydrophobicContact CB-CG 3.74Å; A9-P38 VanDerWaalsContact O-CG 3.31Å; A9-P38 WeakPolarHBondContact O-CG 3.4Å
10C98.5Very high95.3Very high0 Ų074 Ų740%038%0.383CS..Hα-helixtrans-64.1-34.9177.7-66.40000112.4I5 D6 E8 Y14 F29 V104I5-C10 HydrophobicContact CD1-CB 4.17Å; I5-C10 HydrophobicContact CG1-CB 4.32Å; D6-C10 WeakPolarHBondContact O-CB 3.46Å; D6-C10 PolarHBondContact O-N 3.2Å; D6-C10 PolarHBondContact O-SG 3.18Å; E8-C10 PolarHBondContact O-N 3.37Å; C10-Y14 VanDerWaalsContact O-CB 3.23Å; C10-Y14 WeakPolarHBondContact O-CB 3.35Å; C10-Y14 PolarHBondContact O-N 3.22Å; C10-F29 HydrophobicContact CB-CD1 4.05Å; C10-F29 HydrophobicContact CB-CE1 3.83Å; C10-V104 HydrophobicContact CB-CG1 4.09Å; C10-V104 HydrophobicContact CB-CG2 4.25Å
11R98.6Very high95.2Very high126 Ų12673.9 Ų73.948%0.47540%0.4SS..Hα-helixtrans-70-38.9177.7-176.3174.5-66.3141.30111.6K7 E8 A9 Y14 N15 V104K7-R11 WeakPolarHBondContact O-CB 3.46Å; K7-R11 PolarHBondContact O-N 3.21Å; E8-R11 PolarHBondContact O-N 3.36Å; A9-R11 VanDerWaalsContact C-N 3.3Å; A9-R11 PolarHBondContact O-N 2.87Å; R11-Y14 PolarHBondContact O-N 2.76Å; R11-N15 WeakPolarHBondContact O-CB 3.19Å; R11-N15 VanDerWaalsContact O-CG 3.23Å; R11-N15 PolarHBondContact O-N 2.89Å; R11-N15 PolarHBondContact O-ND2 3.11Å; R11-V104 HydrophobicContact CB-CG1 3.92Å
12A98.4Very high96.5Very high63 Ų6364.9 Ų64.952%0.52136%0.357SS..Hα-helixtrans-59.9-50.3174.100000111.1E8 A9 N15 L16E8-A12 PolarHBondContact O-N 3.42Å; A9-A12 PolarHBondContact O-N 3.36Å; A12-N15 PolarHBondContact O-N 3.27Å; A12-L16 PolarHBondContact O-N 3.1Å
13A98.5Very high96.8Very high5 Ų564.7 Ų64.74%0.04136%0.356CS..Hα-helixtrans-58.3-47.3175.800000113.3A9 N15 L16 V17 V27 F29 P38A9-A13 PolarHBondContact O-N 3.42Å; A9-A13 VanDerWaalsContact O-N 3.09Å; A13-N15 PolarHBondContact O-N 2.65Å; A13-L16 WeakPolarHBondContact O-CB 3.36Å; A13-L16 PolarHBondContact O-N 3.25Å; A13-V17 PolarHBondContact O-N 2.81Å; A13-V27 HydrophobicContact CB-CB 4.49Å; A13-V27 HydrophobicContact CB-CG1 4.35Å; A13-V27 HydrophobicContact CB-CG2 3.67Å; A13-F29 HydrophobicContact CB-CE1 4.13Å; A13-P38 HydrophobicContact CB-CB 3.96Å; A13-P38 HydrophobicContact CB-CG 3.96Å
14Y98.6Very high96.9Very high8 Ų864.2 Ų64.23%0.03135%0.353CS..Hα-helixtrans-59.7-45176.3164.3-113.4000112.4C10 R11 L16 V17 R18 F61 V104 V105 N107C10-Y14 VanDerWaalsContact O-CB 3.23Å; C10-Y14 WeakPolarHBondContact O-CB 3.35Å; C10-Y14 PolarHBondContact O-N 3.22Å; R11-Y14 PolarHBondContact O-N 2.76Å; Y14-L16 VanDerWaalsContact C-N 3.31Å; Y14-L16 PolarHBondContact O-N 3Å; Y14-V17 PolarHBondContact O-N 3.19Å; Y14-R18 HydrophobicContact CD2-CG 4.4Å; Y14-R18 HydrophobicContact CE2-CG 4.06Å; Y14-R18 PolarHBondContact O-N 2.83Å; Y14-R18 WeakPolarHBondContact OH-CD 3.27Å; Y14-R18 PolarHBondContact OH-NH1 3.06Å; Y14-F61 AromaticContact CD2-CD1 3.71Å; Y14-F61 HydrophobicContact CD2-CD1 3.71Å; Y14-F61 HydrophobicContact CD2-CD2 4.29Å; Y14-F61 AromaticContact CD2-CE1 3.55Å; Y14-F61 HydrophobicContact CD2-CE1 3.55Å; Y14-F61 HydrophobicContact CD2-CE2 4.11Å; Y14-F61 HydrophobicContact CD2-CG 4.07Å; Y14-F61 AromaticContact CD2-CZ 3.75Å; Y14-F61 HydrophobicContact CD2-CZ 3.75Å; Y14-F61 HydrophobicContact CE2-CD1 4.26Å; Y14-F61 HydrophobicContact CE2-CD2 4.31Å; Y14-F61 AromaticContact CE2-CE1 3.73Å; Y14-F61 HydrophobicContact CE2-CE1 3.73Å; Y14-F61 AromaticContact CE2-CE2 3.74Å; Y14-F61 HydrophobicContact CE2-CE2 3.74Å; Y14-F61 AromaticContact CE2-CZ 3.42Å; Y14-F61 HydrophobicContact CE2-CZ 3.42Å; Y14-F61 VanDerWaalsContact CE2-CZ 3.42Å; Y14-V104 HydrophobicContact CD1-CG1 4.45Å; Y14-V104 WeakPolarHBondContact CE1-O 2.94Å; Y14-V105 HydrophobicContact CD2-CB 4.21Å; Y14-V105 HydrophobicContact CD2-CG1 3.99Å; Y14-V105 HydrophobicContact CD2-CG2 3.93Å; Y14-V105 HydrophobicContact CE2-CB 4.24Å; Y14-V105 HydrophobicContact CE2-CG1 3.82Å; Y14-V105 HydrophobicContact CE2-CG2 4.46Å; Y14-V105 HydrophobicContact CG-CG2 4.35Å; Y14-N107 WeakPolarHBondContact OH-CB 3.48Å; Y14-N107 PolarHBondContact OH-N 2.94Å
15N98.2Very high97Very high72 Ų7259.5 Ų59.539%0.38533%0.334SS..Hα-helixtrans-67.7-32.6179.4-73.7-20.4000112.1R11 A12 A13 V17 R18 D19R11-N15 WeakPolarHBondContact O-CB 3.19Å; R11-N15 VanDerWaalsContact O-CG 3.23Å; R11-N15 PolarHBondContact O-N 2.89Å; R11-N15 PolarHBondContact O-ND2 3.11Å; A12-N15 PolarHBondContact O-N 3.27Å; A13-N15 PolarHBondContact O-N 2.65Å; N15-V17 VanDerWaalsContact C-N 3.27Å; N15-V17 PolarHBondContact O-N 3.23Å; N15-R18 PolarHBondContact O-N 3.22Å; N15-R18 VanDerWaalsContact O-N 3.1Å; N15-D19 PolarHBondContact O-N 2.95Å
16L97.8Very high97Very high60 Ų6058.7 Ų58.731%0.31433%0.33SS..Hα-helixtrans-62.4-33.3177.2-171.564.7000112.6A12 A13 Y14 S22 V24A12-L16 PolarHBondContact O-N 3.1Å; A13-L16 WeakPolarHBondContact O-CB 3.36Å; A13-L16 PolarHBondContact O-N 3.25Å; Y14-L16 VanDerWaalsContact C-N 3.31Å; Y14-L16 PolarHBondContact O-N 3Å; L16-S22 WeakPolarHBondContact CD1-OG 3.43Å; L16-S22 WeakPolarHBondContact O-CB 3.31Å; L16-S22 PolarHBondContact O-OG 3.34Å; L16-V24 HydrophobicContact CD1-CG2 4.49Å; L16-V24 HydrophobicContact CD2-CB 4.17Å; L16-V24 HydrophobicContact CD2-CG1 4.31Å; L16-V24 HydrophobicContact CD2-CG2 3.69Å; L16-V24 HydrophobicContact CG-CB 3.96Å; L16-V24 HydrophobicContact CG-CG1 4.39Å; L16-V24 HydrophobicContact CG-CG2 3.86Å
17V97.9Very high97Very high0 Ų055.5 Ų55.50%031%0.313CS..Hα-helixtrans-78-30.5174175.30000112A13 Y14 N15 V24 I25 V27 F61 R63 F76A13-V17 PolarHBondContact O-N 2.81Å; Y14-V17 PolarHBondContact O-N 3.19Å; N15-V17 VanDerWaalsContact C-N 3.27Å; N15-V17 PolarHBondContact O-N 3.23Å; V17-V24 HydrophobicContact CG2-CG1 3.94Å; V17-I25 WeakPolarHBondContact CG1-O 3.29Å; V17-V27 HydrophobicContact CG2-CB 3.94Å; V17-V27 HydrophobicContact CG2-CG1 3.78Å; V17-F61 HydrophobicContact CB-CD1 3.74Å; V17-F61 HydrophobicContact CB-CE1 3.83Å; V17-F61 HydrophobicContact CG1-CD1 3.61Å; V17-F61 HydrophobicContact CG1-CE1 3.6Å; V17-F61 HydrophobicContact CG2-CD1 4.31Å; V17-R63 HydrophobicContact CG1-CB 3.81Å; V17-R63 PolarHBondContact O-NH1 3.39Å; V17-F76 HydrophobicContact CG1-CD1 4.34Å; V17-F76 HydrophobicContact CG1-CE1 4.31Å
18R96.3Very high97Very high94 Ų9451 Ų5136%0.35529%0.293SS..Hα-helixtrans-77.5-25.8-179.8-74.5-173.660.4-151.93.6113.9Y14 N15 D20 F61 F76Y14-R18 HydrophobicContact CD2-CG 4.4Å; Y14-R18 HydrophobicContact CE2-CG 4.06Å; Y14-R18 PolarHBondContact O-N 2.83Å; Y14-R18 WeakPolarHBondContact OH-CD 3.27Å; Y14-R18 PolarHBondContact OH-NH1 3.06Å; N15-R18 PolarHBondContact O-N 3.22Å; N15-R18 VanDerWaalsContact O-N 3.1Å; R18-D20 PolarHBondContact O-N 2.93Å; R18-F61 HydrophobicContact CG-CE1 3.74Å; R18-F61 HydrophobicContact CG-CZ 3.87Å; R18-F76 HydrophobicContact CG-CE1 4.08Å; R18-F76 HydrophobicContact CG-CZ 4.23Å
19D95.1Very high97.1Very high89 Ų8943.2 Ų43.248%0.47626%0.257SS..  trans-68.6111.7177.8-177.53.3000110.1N15 G21 S22 R63N15-D19 PolarHBondContact O-N 2.95Å; D19-G21 PolarHBondContact O-N 3.18Å; D19-G21 PolarHBondContact OD1-N 3.41Å; D19-S22 WeakPolarHBondContact O-CB 3.48Å; D19-S22 PolarHBondContact O-N 2.86Å; D19-R63 PolarHBondContact O-NH1 2.72Å
20D89.2Confident97Very high124 Ų12443.9 Ų43.966%0.66325%0.253SS*.THydrogen-bonded Turntrans-62.3-19.7177.1-69.2-38.3000112.4R18 S74R18-D20 PolarHBondContact O-N 2.93Å; D20-S74 PolarHBondContact OD1-OG 3.02Å
21G92.4Very high97Very high72 Ų7246.1 Ų46.174%0.74226%0.262SS*.THydrogen-bonded Turntrans-81.1-14.5172.500000114.3D19D19-G21 PolarHBondContact O-N 3.18Å; D19-G21 PolarHBondContact OD1-N 3.41Å
22S94.6Very high96.9Very high16 Ų1645.6 Ų45.611%0.11227%0.269CS..  trans-84.2137178171.80000111.4L16 D19 V24 R63L16-S22 WeakPolarHBondContact CD1-OG 3.43Å; L16-S22 WeakPolarHBondContact O-CB 3.31Å; L16-S22 PolarHBondContact O-OG 3.34Å; D19-S22 WeakPolarHBondContact O-CB 3.48Å; D19-S22 PolarHBondContact O-N 2.86Å; S22-V24 PolarHBondContact O-N 3.5Å; S22-V24 WeakPolarHBondContact OG-CB 3.4Å; S22-V24 PolarHBondContact OG-N 3.42Å; S22-V24 VanDerWaalsContact OG-N 3.12Å; S22-R63 PolarHBondContact O-NH2 3.32Å
23A95.3Very high96.7Very high76 Ų7645.9 Ų45.963%0.62828%0.278SS*.SBendtrans-70.3-17.6172.700000112.9I25 A43A23-I25 PolarHBondContact O-N 2.91Å; A23-A43 WeakPolarHBondContact O-CA 3.43Å; A23-A43 WeakPolarHBondContact O-CB 3.47Å
24V97.9Very high96.5Very high23 Ų2347.2 Ų47.214%0.13929%0.287CS..  trans-73.4123.6-178.2-1760000109.6L16 V17 S22 W26 Q41 R63L16-V24 HydrophobicContact CD1-CG2 4.49Å; L16-V24 HydrophobicContact CD2-CB 4.17Å; L16-V24 HydrophobicContact CD2-CG1 4.31Å; L16-V24 HydrophobicContact CD2-CG2 3.69Å; L16-V24 HydrophobicContact CG-CB 3.96Å; L16-V24 HydrophobicContact CG-CG1 4.39Å; L16-V24 HydrophobicContact CG-CG2 3.86Å; V17-V24 HydrophobicContact CG2-CG1 3.94Å; S22-V24 PolarHBondContact O-N 3.5Å; S22-V24 WeakPolarHBondContact OG-CB 3.4Å; S22-V24 PolarHBondContact OG-N 3.42Å; S22-V24 VanDerWaalsContact OG-N 3.12Å; V24-W26 VanDerWaalsContact CG1-O 3.26Å; V24-W26 WeakPolarHBondContact CG1-O 3.23Å; V24-Q41 HydrophobicContact CG1-CB 3.98Å; V24-Q41 HydrophobicContact CG1-CG 4.49Å; V24-R63 PolarHBondContact O-NH2 2.9Å
25I97.8Very high96.5Very high39 Ų3948.8 Ų48.820%0.230%0.298CS..  trans-109.1-14.5179.774.2172.8000112.4V17 A23 G42 A43 V62 R63V17-I25 WeakPolarHBondContact CG1-O 3.29Å; A23-I25 PolarHBondContact O-N 2.91Å; I25-G42 PolarHBondContact N-O 3.17Å; I25-A43 WeakPolarHBondContact CD1-O 3.48Å; I25-A43 WeakPolarHBondContact CG1-O 3.27Å; I25-V62 CarbonylContact O-C 3.51Å; I25-V62 WeakPolarHBondContact O-CA 3.45Å; I25-R63 PolarHBondContact O-N 2.98Å
26W98.6Very high96.5Very high5 Ų545.4 Ų45.42%0.01928%0.279CS..EExtended strand (participates in β ladder)trans-144.5151.6178.163.4-98.2000111.5V24 T28 E40 Q41 G42 E44 H47 F48 Q51 F61 V62V24-W26 VanDerWaalsContact CG1-O 3.26Å; V24-W26 WeakPolarHBondContact CG1-O 3.23Å; W26-T28 HydrophobicContact CE3-CG2 4.15Å; W26-T28 HydrophobicContact CZ3-CG2 3.92Å; W26-E40 HydrophobicContact CH2-CB 3.78Å; W26-E40 HydrophobicContact CZ3-CB 3.87Å; W26-E40 WeakPolarHBondContact CZ3-O 3.45Å; W26-Q41 VanDerWaalsContact O-CA 3.27Å; W26-Q41 WeakPolarHBondContact O-CA 3.2Å; W26-Q41 WeakPolarHBondContact O-CB 3.46Å; W26-G42 VanDerWaalsContact CD1-O 3.22Å; W26-G42 PolarHBondContact N-O 3.03Å; W26-G42 VanDerWaalsContact N-O 3.15Å; W26-G42 PolarHBondContact NE1-O 2.92Å; W26-G42 PolarHBondContact O-N 3.19Å; W26-E44 PolarHBondContact NE1-O 3.07Å; W26-H47 HydrophobicContact CH2-CB 4.47Å; W26-H47 HydrophobicContact CZ2-CB 3.63Å; W26-F48 HydrophobicContact CB-CB 4.45Å; W26-F48 HydrophobicContact CD2-CB 3.51Å; W26-F48 HydrophobicContact CD2-CG 4.46Å; W26-F48 HydrophobicContact CE3-CB 3.77Å; W26-F48 HydrophobicContact CE3-CD2 4.33Å; W26-F48 HydrophobicContact CE3-CG 4.45Å; W26-F48 HydrophobicContact CG-CB 3.79Å; W26-F48 HydrophobicContact CH2-CB 4.4Å; W26-F48 HydrophobicContact CZ2-CB 4.19Å; W26-F48 HydrophobicContact CZ3-CB 4.19Å; W26-Q51 HydrophobicContact CH2-CG 4.37Å; W26-F61 WeakPolarHBondContact CA-O 3.47Å; W26-V62 HydrophobicContact CB-CB 4.34Å; W26-V62 HydrophobicContact CB-CG1 4.11Å; W26-V62 HydrophobicContact CB-CG2 3.89Å
27V98.8Very high96.5Very high0 Ų044.1 Ų44.10%027%0.274CS..EExtended strand (participates in β ladder)trans-141.5145.8168.366.60000109.5A13 V17 F29 E40 Q41 A60 F61A13-V27 HydrophobicContact CB-CB 4.49Å; A13-V27 HydrophobicContact CB-CG1 4.35Å; A13-V27 HydrophobicContact CB-CG2 3.67Å; V17-V27 HydrophobicContact CG2-CB 3.94Å; V17-V27 HydrophobicContact CG2-CG1 3.78Å; V27-F29 HydrophobicContact CG1-CE1 4.35Å; V27-F29 HydrophobicContact CG1-CE2 4.08Å; V27-F29 HydrophobicContact CG1-CZ 3.72Å; V27-E40 CarbonylContact C-O 3.59Å; V27-Q41 HydrophobicContact CB-CB 4.03Å; V27-Q41 HydrophobicContact CG2-CB 3.81Å; V27-A60 CarbonylContact O-C 3.54Å; V27-A60 WeakPolarHBondContact O-CA 3.18Å; V27-F61 HydrophobicContact CG1-CB 4.15Å; V27-F61 PolarHBondContact N-O 3.14Å; V27-F61 PolarHBondContact O-N 2.96Å
28T98.8Very high96.5Very high0 Ų046 Ų460%029%0.286CS..EExtended strand (participates in β ladder)trans-102.5157.1171640000111W26 G39 E40 F48 L58 F59 A60W26-T28 HydrophobicContact CE3-CG2 4.15Å; W26-T28 HydrophobicContact CZ3-CG2 3.92Å; T28-G39 PolarHBondContact O-N 2.71Å; T28-G39 WeakPolarHBondContact OG1-CA 3.5Å; T28-E40 PolarHBondContact N-O 2.92Å; T28-E40 PolarHBondContact OG1-N 2.77Å; T28-E40 PolarHBondContact OG1-O 3.07Å; T28-E40 VanDerWaalsContact OG1-O 3.11Å; T28-E40 PolarHBondContact OG1-OE2 3.24Å; T28-F48 HydrophobicContact CG2-CD2 3.86Å; T28-F48 HydrophobicContact CG2-CE2 4.19Å; T28-L58 HydrophobicContact CG2-CD1 3.98Å; T28-L58 HydrophobicContact CG2-CD2 4.25Å; T28-F59 CarbonylContact C-O 3.54Å; T28-F59 WeakPolarHBondContact CA-O 3.3Å; T28-A60 HydrophobicContact CG2-CB 4.19Å
29F98.6Very high96.6Very high1 Ų142.7 Ų42.70%0.00428%0.282CS..EExtended strand (participates in β ladder)trans-125.1119170-49.8-80.8000107.4C10 A13 V27 I36 V37 L58 F59 F61 V101 V105C10-F29 HydrophobicContact CB-CD1 4.05Å; C10-F29 HydrophobicContact CB-CE1 3.83Å; A13-F29 HydrophobicContact CB-CE1 4.13Å; V27-F29 HydrophobicContact CG1-CE1 4.35Å; V27-F29 HydrophobicContact CG1-CE2 4.08Å; V27-F29 HydrophobicContact CG1-CZ 3.72Å; F29-I36 HydrophobicContact CB-CG2 3.79Å; F29-V37 CarbonylContact C-O 3.43Å; F29-V37 VanDerWaalsContact CA-O 3.27Å; F29-V37 WeakPolarHBondContact CA-O 3.42Å; F29-L58 WeakPolarHBondContact O-CA 3.45Å; F29-L58 WeakPolarHBondContact O-CB 3.31Å; F29-F59 HydrophobicContact CB-CB 4.23Å; F29-F59 HydrophobicContact CD2-CB 4.1Å; F29-F59 PolarHBondContact N-O 3.43Å; F29-F59 PolarHBondContact O-N 3.33Å; F29-F61 HydrophobicContact CE2-CB 3.93Å; F29-F61 HydrophobicContact CZ-CB 4.49Å; F29-V101 HydrophobicContact CD2-CG1 4.13Å; F29-V101 HydrophobicContact CE2-CG1 4.41Å; F29-V105 HydrophobicContact CE2-CG2 3.87Å; F29-V105 HydrophobicContact CZ-CG2 3.97Å
30K97.8Very high96.8Very high49 Ų4941.9 Ų41.921%0.21328%0.275CS..EExtended strand (participates in β ladder)trans-115.9169.4-175.1-69.6-177.4174.9178.80110I36 V37 E40 L58K30-I36 WeakPolarHBondContact O-CA 3.17Å; K30-V37 PolarHBondContact N-O 3.41Å; K30-V37 PolarHBondContact O-N 2.9Å; K30-E40 WeakPolarHBondContact CE-OE2 3.46Å; K30-E40 IonicContact NZ-OE1 3.43Å; K30-E40 PolarHBondContact NZ-OE1 3.34Å; K30-E40 IonicContact NZ-OE2 3.94Å; K30-E40 PolarHBondContact NZ-OE2 3.39Å; K30-L58 HydrophobicContact CG-CB 3.9Å; K30-L58 HydrophobicContact CG-CD2 4.32Å
31Y96.9Very high97.2Very high46 Ų4640.4 Ų40.418%0.1826%0.264CS..EExtended strand (participates in β ladder)trans-93.9119.9176.7-66.4-95.9000110T3 T35 I36 R57 F59 D97T3-Y31 HydrophobicContact CG2-CD1 4.49Å; T3-Y31 HydrophobicContact CG2-CE1 3.94Å; Y31-T35 WeakPolarHBondContact CA-O 3.21Å; Y31-I36 HydrophobicContact CD1-CG1 4.07Å; Y31-I36 HydrophobicContact CE1-CD1 4.32Å; Y31-I36 HydrophobicContact CE1-CG1 3.88Å; Y31-R57 HydrophobicContact CD2-CG 4.27Å; Y31-R57 HydrophobicContact CE2-CG 4.07Å; Y31-F59 HydrophobicContact CE2-CE2 4.05Å; Y31-F59 AromaticContact CZ-CE2 4Å; Y31-D97 HydrophobicContact CE1-CB 4.37Å; Y31-D97 VanDerWaalsContact CE1-OD2 3.26Å; Y31-D97 WeakPolarHBondContact CE1-OD2 3.49Å; Y31-D97 WeakPolarHBondContact OH-CB 3.46Å; Y31-D97 PolarHBondContact OH-OD2 3.09Å
32D96.8Very high97.5Very high115 Ų11537.7 Ų37.762%0.61524%0.236SC*.EExtended strand (participates in β ladder)trans-100.3101.4160.9-177.614.6000108.4S34 T35 V37D32-S34 PolarHBondContact O-N 2.99Å; D32-T35 PolarHBondContact N-O 3.11Å; D32-T35 PolarHBondContact O-N 2.8Å; D32-V37 HydrophobicContact CB-CG1 4.38Å; D32-V37 HydrophobicContact CB-CG2 3.82Å
33G94.2Very high97.6Very high70 Ų7039.5 Ų39.572%0.72225%0.252SS*.THydrogen-bonded Turntrans58.1-111-167.900000112
34S95.1Very high97.7Very high32 Ų3241.4 Ų41.422%0.22425%0.248CC..THydrogen-bonded Turntrans-10512.9176.665.30000113.8T3 K4 D32T3-S34 CarbonylContact C-O 3.51Å; T3-S34 VanDerWaalsContact CA-O 3.26Å; T3-S34 WeakPolarHBondContact CA-O 3.34Å; K4-S34 PolarHBondContact N-O 2.8Å; D32-S34 PolarHBondContact O-N 2.99Å
35T97.7Very high97.7Very high42 Ų4240.7 Ų40.726%0.25824%0.242SC..EExtended strand (participates in β ladder)trans-116.2131.2-177.9-53.70000109.8K4 D6 Y31 D32 V37K4-T35 HydrophobicContact CB-CG2 4.38Å; K4-T35 CarbonylContact O-C 3.56Å; K4-T35 WeakPolarHBondContact O-CA 3.38Å; D6-T35 HydrophobicContact CB-CG2 4.48Å; Y31-T35 WeakPolarHBondContact CA-O 3.21Å; D32-T35 PolarHBondContact N-O 3.11Å; D32-T35 PolarHBondContact O-N 2.8Å; T35-V37 HydrophobicContact CG2-CG1 4.06Å
36I98.5Very high97.6Very high0 Ų044.2 Ų44.20%026%0.258CS..EExtended strand (participates in β ladder)trans-79.1125.8170.2-64.5162000108.5T3 K4 I5 D6 F29 K30 Y31 F59 D97 L100 V101T3-I36 HydrophobicContact CG2-CD1 4.01Å; T3-I36 HydrophobicContact CG2-CG1 4.15Å; K4-I36 PolarHBondContact O-N 3.4Å; I5-I36 WeakPolarHBondContact CA-O 3.46Å; I5-I36 HydrophobicContact CB-CB 4.18Å; I5-I36 HydrophobicContact CD1-CB 4.49Å; I5-I36 HydrophobicContact CD1-CG2 4.2Å; I5-I36 HydrophobicContact CG1-CB 4.05Å; I5-I36 HydrophobicContact CG1-CG2 4.15Å; D6-I36 PolarHBondContact N-O 3.27Å; F29-I36 HydrophobicContact CB-CG2 3.79Å; K30-I36 WeakPolarHBondContact O-CA 3.17Å; Y31-I36 HydrophobicContact CD1-CG1 4.07Å; Y31-I36 HydrophobicContact CE1-CD1 4.32Å; Y31-I36 HydrophobicContact CE1-CG1 3.88Å; I36-F59 HydrophobicContact CD1-CE2 4.06Å; I36-D97 HydrophobicContact CD1-CB 4.17Å; I36-L100 HydrophobicContact CD1-CB 4.35Å; I36-L100 HydrophobicContact CD1-CD1 4.44Å; I36-V101 HydrophobicContact CD1-CG2 3.93Å; I36-V101 HydrophobicContact CG2-CG2 4.21Å
37V98.7Very high97.6Very high33 Ų3347.6 Ų47.620%0.227%0.274CS..EExtended strand (participates in β ladder)trans-133160.5179.9-62.40000109.5D6 F29 K30 D32 T35 G39D6-V37 HydrophobicContact CB-CG1 4.11Å; F29-V37 CarbonylContact C-O 3.43Å; F29-V37 VanDerWaalsContact CA-O 3.27Å; F29-V37 WeakPolarHBondContact CA-O 3.42Å; K30-V37 PolarHBondContact N-O 3.41Å; K30-V37 PolarHBondContact O-N 2.9Å; D32-V37 HydrophobicContact CB-CG1 4.38Å; D32-V37 HydrophobicContact CB-CG2 3.82Å; T35-V37 HydrophobicContact CG2-CG1 4.06Å; V37-G39 PolarHBondContact O-N 2.94Å
38P98.6Very high97.6Very high39 Ų3947.6 Ų47.625%0.25327%0.274SS..EExtended strand (participates in β ladder)trans-56.4134.2168.5-22.333.7000111.1A9 A13A9-P38 HydrophobicContact CB-CG 3.74Å; A9-P38 VanDerWaalsContact O-CG 3.31Å; A9-P38 WeakPolarHBondContact O-CG 3.4Å; A13-P38 HydrophobicContact CB-CB 3.96Å; A13-P38 HydrophobicContact CB-CG 3.96Å
39G98.2Very high97.5Very high26 Ų2649 Ų4927%0.26828%0.281SS..EExtended strand (participates in β ladder)trans-95.2-133.3167.600000110.2T28 V37T28-G39 PolarHBondContact O-N 2.71Å; T28-G39 WeakPolarHBondContact OG1-CA 3.5Å; V37-G39 PolarHBondContact O-N 2.94Å
40E98.4Very high97.4Very high71 Ų7154.8 Ų54.833%0.33231%0.308SS..EExtended strand (participates in β ladder)trans-77.9158.6177-54.273.1-159.800111.3W26 V27 T28 K30 Q51W26-E40 HydrophobicContact CH2-CB 3.78Å; W26-E40 HydrophobicContact CZ3-CB 3.87Å; W26-E40 WeakPolarHBondContact CZ3-O 3.45Å; V27-E40 CarbonylContact C-O 3.59Å; T28-E40 PolarHBondContact N-O 2.92Å; T28-E40 PolarHBondContact OG1-N 2.77Å; T28-E40 PolarHBondContact OG1-O 3.07Å; T28-E40 VanDerWaalsContact OG1-O 3.11Å; T28-E40 PolarHBondContact OG1-OE2 3.24Å; K30-E40 WeakPolarHBondContact CE-OE2 3.46Å; K30-E40 IonicContact NZ-OE1 3.43Å; K30-E40 PolarHBondContact NZ-OE1 3.34Å; K30-E40 IonicContact NZ-OE2 3.94Å; K30-E40 PolarHBondContact NZ-OE2 3.39Å; E40-Q51 HydrophobicContact CB-CG 4.27Å; E40-Q51 HydrophobicContact CG-CG 4.31Å; E40-Q51 PolarHBondContact OE1-OE1 2.94Å; E40-Q51 PolarHBondContact OE2-OE1 3.46Å; E40-Q51 VanDerWaalsContact OE2-OE1 3.11Å
41Q98.3Very high97.4Very high94 Ų9454.8 Ų54.844%0.43931%0.309SS..EExtended strand (participates in β ladder)trans-144.9156.1176.964-174.621.600109.5V24 W26 V27V24-Q41 HydrophobicContact CG1-CB 3.98Å; V24-Q41 HydrophobicContact CG1-CG 4.49Å; W26-Q41 VanDerWaalsContact O-CA 3.27Å; W26-Q41 WeakPolarHBondContact O-CA 3.2Å; W26-Q41 WeakPolarHBondContact O-CB 3.46Å; V27-Q41 HydrophobicContact CB-CB 4.03Å; V27-Q41 HydrophobicContact CG2-CB 3.81Å
42G98Very high97.5Very high14 Ų1452.6 Ų52.614%0.14430%0.301CS..EExtended strand (participates in β ladder)trans-173.6173.3-179.600000115.2I25 W26I25-G42 PolarHBondContact N-O 3.17Å; W26-G42 VanDerWaalsContact CD1-O 3.22Å; W26-G42 PolarHBondContact N-O 3.03Å; W26-G42 VanDerWaalsContact N-O 3.15Å; W26-G42 PolarHBondContact NE1-O 2.92Å; W26-G42 PolarHBondContact O-N 3.19Å
43A97.5Very high97.5Very high54 Ų5449.2 Ų49.245%0.44628%0.284SS..SBendtrans-93.4-16.6176.600000113A23 I25A23-A43 WeakPolarHBondContact O-CA 3.43Å; A23-A43 WeakPolarHBondContact O-CB 3.47Å; I25-A43 WeakPolarHBondContact CD1-O 3.48Å; I25-A43 WeakPolarHBondContact CG1-O 3.27Å
44E97.3Very high97.6Very high116 Ų11648.2 Ų48.254%0.54226%0.262SS..  trans-110116.3-173.9-67.6176.2-11900110.7W26 Q46 H47W26-E44 PolarHBondContact NE1-O 3.07Å; E44-Q46 PolarHBondContact O-N 2.7Å; E44-H47 VanDerWaalsContact CD-CE1 3.47Å; E44-H47 WeakPolarHBondContact O-CB 3.36Å; E44-H47 PolarHBondContact O-N 3.48Å; E44-H47 VanDerWaalsContact O-N 3.07Å; E44-H47 IonicContact OE1-CE1 2.63Å; E44-H47 PolarHBondContact OE1-CE1 2.67Å; E44-H47 IonicContact OE1-ND1 2.63Å; E44-H47 IonicContact OE2-CE1 3.89Å; E44-H47 PolarHBondContact OE2-CE1 3.43Å; E44-H47 IonicContact OE2-NE2 3.41Å
45Y97Very high97.7Very high8 Ų852.1 Ų52.13%0.03128%0.28CS..Hα-helixtrans-60.4-30.1-175.2-172.2-111.1000113.4H47 F48 I49 V62 F64 L120 E122Y45-H47 VanDerWaalsContact C-N 3.29Å; Y45-H47 PolarHBondContact O-N 3.3Å; Y45-F48 AromaticContact CD2-CD1 3.82Å; Y45-F48 HydrophobicContact CD2-CD1 3.82Å; Y45-F48 AromaticContact CE2-CD1 3.32Å; Y45-F48 HydrophobicContact CE2-CD1 3.32Å; Y45-F48 AromaticContact CE2-CE1 3.71Å; Y45-F48 HydrophobicContact CE2-CE1 3.71Å; Y45-F48 HydrophobicContact CE2-CG 4.41Å; Y45-F48 AromaticContact CZ-CD1 3.77Å; Y45-F48 AromaticContact CZ-CE1 3.89Å; Y45-F48 WeakPolarHBondContact O-CA 3.41Å; Y45-F48 VanDerWaalsContact O-CB 3.29Å; Y45-F48 WeakPolarHBondContact O-CB 3.26Å; Y45-F48 PolarHBondContact O-N 2.82Å; Y45-I49 HydrophobicContact CD1-CD1 3.87Å; Y45-I49 HydrophobicContact CD1-CG1 4.22Å; Y45-I49 HydrophobicContact CE1-CD1 3.72Å; Y45-I49 HydrophobicContact CE1-CG1 3.98Å; Y45-I49 PolarHBondContact O-N 3.07Å; Y45-V62 HydrophobicContact CD2-CG1 3.89Å; Y45-V62 HydrophobicContact CE2-CG1 3.82Å; Y45-V62 HydrophobicContact CE2-CG2 4.31Å; Y45-F64 HydrophobicContact CD2-CE1 4.34Å; Y45-F64 HydrophobicContact CD2-CZ 4.45Å; Y45-F64 AromaticContact CE2-CE1 3.95Å; Y45-F64 HydrophobicContact CE2-CE1 3.95Å; Y45-F64 AromaticContact CE2-CZ 3.73Å; Y45-F64 HydrophobicContact CE2-CZ 3.73Å; Y45-L120 VanDerWaalsContact CE1-O 3.24Å; Y45-L120 WeakPolarHBondContact CE1-O 3.37Å; Y45-L120 PolarHBondContact OH-O 3.03Å; Y45-E122 HydrophobicContact CD1-CB 3.73Å; Y45-E122 HydrophobicContact CD1-CG 4.25Å; Y45-E122 HydrophobicContact CE1-CB 3.67Å; Y45-E122 HydrophobicContact CE1-CG 4.39Å
46Q96.9Very high97.7Very high113 Ų11352.4 Ų52.453%0.52828%0.282SS..Hα-helixtrans-61.9-34.9176.2-67.2-59.3-39.900112.9E44 F48 I49 Q50E44-Q46 PolarHBondContact O-N 2.7Å; Q46-F48 VanDerWaalsContact C-N 3.26Å; Q46-F48 PolarHBondContact O-N 3.03Å; Q46-I49 PolarHBondContact O-N 2.85Å; Q46-Q50 WeakPolarHBondContact O-CG 3.5Å; Q46-Q50 PolarHBondContact O-N 2.88Å; Q46-Q50 VanDerWaalsContact O-N 3.1Å
47H97.9Very high97.6Very high76 Ų7654.3 Ų54.335%0.35229%0.289SS..Hα-helixtrans-66.6-28.7174.5-66.8153.2000112.3W26 E44 Y45W26-H47 HydrophobicContact CH2-CB 4.47Å; W26-H47 HydrophobicContact CZ2-CB 3.63Å; E44-H47 VanDerWaalsContact CD-CE1 3.47Å; E44-H47 WeakPolarHBondContact O-CB 3.36Å; E44-H47 PolarHBondContact O-N 3.48Å; E44-H47 VanDerWaalsContact O-N 3.07Å; E44-H47 IonicContact OE1-CE1 2.63Å; E44-H47 PolarHBondContact OE1-CE1 2.67Å; E44-H47 IonicContact OE1-ND1 2.63Å; E44-H47 IonicContact OE2-CE1 3.89Å; E44-H47 PolarHBondContact OE2-CE1 3.43Å; E44-H47 IonicContact OE2-NE2 3.41Å; Y45-H47 VanDerWaalsContact C-N 3.29Å; Y45-H47 PolarHBondContact O-N 3.3Å
48F98.1Very high97.6Very high0 Ų052.7 Ų52.70%028%0.28CS..Hα-helixtrans-67.6-47.8170.7157.5-112.8000111.3W26 T28 Y45 Q46 Q50 Q51 C52 L58 A60 V62 I79 L120W26-F48 HydrophobicContact CB-CB 4.45Å; W26-F48 HydrophobicContact CD2-CB 3.51Å; W26-F48 HydrophobicContact CD2-CG 4.46Å; W26-F48 HydrophobicContact CE3-CB 3.77Å; W26-F48 HydrophobicContact CE3-CD2 4.33Å; W26-F48 HydrophobicContact CE3-CG 4.45Å; W26-F48 HydrophobicContact CG-CB 3.79Å; W26-F48 HydrophobicContact CH2-CB 4.4Å; W26-F48 HydrophobicContact CZ2-CB 4.19Å; W26-F48 HydrophobicContact CZ3-CB 4.19Å; T28-F48 HydrophobicContact CG2-CD2 3.86Å; T28-F48 HydrophobicContact CG2-CE2 4.19Å; Y45-F48 AromaticContact CD2-CD1 3.82Å; Y45-F48 HydrophobicContact CD2-CD1 3.82Å; Y45-F48 AromaticContact CE2-CD1 3.32Å; Y45-F48 HydrophobicContact CE2-CD1 3.32Å; Y45-F48 AromaticContact CE2-CE1 3.71Å; Y45-F48 HydrophobicContact CE2-CE1 3.71Å; Y45-F48 HydrophobicContact CE2-CG 4.41Å; Y45-F48 AromaticContact CZ-CD1 3.77Å; Y45-F48 AromaticContact CZ-CE1 3.89Å; Y45-F48 WeakPolarHBondContact O-CA 3.41Å; Y45-F48 VanDerWaalsContact O-CB 3.29Å; Y45-F48 WeakPolarHBondContact O-CB 3.26Å; Y45-F48 PolarHBondContact O-N 2.82Å; Q46-F48 VanDerWaalsContact C-N 3.26Å; Q46-F48 PolarHBondContact O-N 3.03Å; F48-Q50 PolarHBondContact O-N 3.24Å; F48-Q51 WeakPolarHBondContact O-CA 3.47Å; F48-Q51 VanDerWaalsContact O-CB 3.31Å; F48-Q51 WeakPolarHBondContact O-CB 3.45Å; F48-Q51 PolarHBondContact O-N 2.96Å; F48-C52 VanDerWaalsContact CE2-SG 3.54Å; F48-L58 HydrophobicContact CE2-CD1 4.29Å; F48-A60 HydrophobicContact CD2-CB 3.94Å; F48-A60 HydrophobicContact CE2-CB 3.21Å; F48-A60 HydrophobicContact CZ-CB 3.7Å; F48-V62 HydrophobicContact CE1-CG2 4.5Å; F48-I79 HydrophobicContact CE1-CD1 4.1Å; F48-I79 HydrophobicContact CZ-CD1 4.21Å; F48-I79 HydrophobicContact CZ-CG2 4.32Å; F48-L120 HydrophobicContact CE1-CD2 4.13Å; F48-L120 HydrophobicContact CZ-CD2 4.11Å
49I97.4Very high97.6Very high30 Ų3050.9 Ų50.915%0.15427%0.268CS..Hα-helixtrans-57.9-36.9179.7-60.7174000110.8Y45 Q46 Q51 C52 L120Y45-I49 HydrophobicContact CD1-CD1 3.87Å; Y45-I49 HydrophobicContact CD1-CG1 4.22Å; Y45-I49 HydrophobicContact CE1-CD1 3.72Å; Y45-I49 HydrophobicContact CE1-CG1 3.98Å; Y45-I49 PolarHBondContact O-N 3.07Å; Q46-I49 PolarHBondContact O-N 2.85Å; I49-Q51 PolarHBondContact O-N 3.34Å; I49-C52 WeakPolarHBondContact O-CB 3.29Å; I49-C52 PolarHBondContact O-N 3.26Å; I49-L120 HydrophobicContact CG1-CB 4.48Å
50Q97.1Very high97.6Very high122 Ų12249.6 Ų49.657%0.5726%0.255SS*.Hα-helixtrans-61.8-26.2175.2-70169.9400113.6Q46 F48 C52Q46-Q50 WeakPolarHBondContact O-CG 3.5Å; Q46-Q50 PolarHBondContact O-N 2.88Å; Q46-Q50 VanDerWaalsContact O-N 3.1Å; F48-Q50 PolarHBondContact O-N 3.24Å; Q50-C52 VanDerWaalsContact C-N 3.3Å
51Q97.8Very high97.6Very high50 Ų5046.2 Ų46.223%0.23424%0.239CC..Hα-helixtrans-75.9-17.5174-59.1-53.6-46.900113.1W26 E40 F48 I49 T53 V56 L58W26-Q51 HydrophobicContact CH2-CG 4.37Å; E40-Q51 HydrophobicContact CB-CG 4.27Å; E40-Q51 HydrophobicContact CG-CG 4.31Å; E40-Q51 PolarHBondContact OE1-OE1 2.94Å; E40-Q51 PolarHBondContact OE2-OE1 3.46Å; E40-Q51 VanDerWaalsContact OE2-OE1 3.11Å; F48-Q51 WeakPolarHBondContact O-CA 3.47Å; F48-Q51 VanDerWaalsContact O-CB 3.31Å; F48-Q51 WeakPolarHBondContact O-CB 3.45Å; F48-Q51 PolarHBondContact O-N 2.96Å; I49-Q51 PolarHBondContact O-N 3.34Å; Q51-T53 PolarHBondContact O-N 3.07Å; Q51-V56 VanDerWaalsContact O-CG2 3.27Å; Q51-V56 WeakPolarHBondContact O-CG2 3.26Å; Q51-L58 HydrophobicContact CB-CD2 4.18Å
52C97.5Very high97.6Very high0 Ų041.8 Ų41.80%022%0.218CC..  trans-90.974.5-178.1-70.20000111.1F48 I49 Q50 W81 R117 L120F48-C52 VanDerWaalsContact CE2-SG 3.54Å; I49-C52 WeakPolarHBondContact O-CB 3.29Å; I49-C52 PolarHBondContact O-N 3.26Å; Q50-C52 VanDerWaalsContact C-N 3.3Å; C52-W81 HydrophobicContact CB-CD2 3.58Å; C52-W81 HydrophobicContact CB-CE3 4.07Å; C52-W81 HydrophobicContact CB-CG 3.79Å; C52-W81 HydrophobicContact CB-CZ2 4.19Å; C52-W81 WeakPolarHBondContact O-CZ2 3.44Å; C52-W81 VanDerWaalsContact SG-CG 3.58Å; C52-R117 VanDerWaalsContact O-CD 3.23Å; C52-R117 WeakPolarHBondContact O-CD 3.11Å; C52-R117 PolarHBondContact O-NE 3.09Å; C52-L120 HydrophobicContact CB-CD1 3.4Å; C52-L120 VanDerWaalsContact CB-CD1 3.4Å
53T97.3Very high97.6Very high44 Ų4442.3 Ų42.327%0.2722%0.216SC..  trans-92.6164.317570.60000112.2Q51 D55 V56 W81Q51-T53 PolarHBondContact O-N 3.07Å; T53-D55 PolarHBondContact O-N 3.38Å; T53-V56 WeakPolarHBondContact O-CG2 3.18Å; T53-V56 PolarHBondContact O-N 3.43Å; T53-V56 WeakPolarHBondContact OG1-CG1 3.48Å; T53-V56 WeakPolarHBondContact OG1-CG2 3.46Å; T53-W81 WeakPolarHBondContact O-CZ2 3.4Å; T53-W81 PolarHBondContact O-NE1 3.47Å
54D97.3Very high97.4Very high49 Ų4940 Ų4026%0.26220%0.195SC..THydrogen-bonded Turntrans-70.6-16.7-173.5-49.4-28.4000112.4G83 E84 N85 R117D54-G83 CarbonylContact O-C 3.05Å; D54-G83 WeakPolarHBondContact O-CA 3.4Å; D54-E84 PolarHBondContact O-N 3.3Å; D54-N85 WeakPolarHBondContact O-CA 3.49Å; D54-N85 WeakPolarHBondContact O-CB 3.41Å; D54-N85 PolarHBondContact O-N 3.44Å; D54-R117 IonicContact OD1-CZ 2.65Å; D54-R117 IonicContact OD1-NE 2.76Å; D54-R117 PolarHBondContact OD1-NE 2.89Å; D54-R117 IonicContact OD1-NH2 2.93Å; D54-R117 PolarHBondContact OD1-NH2 3.19Å; D54-R117 IonicContact OD2-NH2 2.96Å; D54-R117 PolarHBondContact OD2-NH2 3.23Å
55D96.8Very high97Very high113 Ų11338.3 Ų38.360%0.60419%0.193SC*.THydrogen-bonded Turntrans-93.7-6.7-178.6-51.5-60.9000113.7T53 N85T53-D55 PolarHBondContact O-N 3.38Å; D55-N85 WeakPolarHBondContact OD1-CB 3.32Å; D55-N85 PolarHBondContact OD1-ND2 2.96Å
56V96.6Very high96.2Very high48 Ų4839 Ų3929%0.29120%0.199SC..  trans-116153.5-174.7-54.40000112.5Q51 T53 L58 W81 G83 V86Q51-V56 VanDerWaalsContact O-CG2 3.27Å; Q51-V56 WeakPolarHBondContact O-CG2 3.26Å; T53-V56 WeakPolarHBondContact O-CG2 3.18Å; T53-V56 PolarHBondContact O-N 3.43Å; T53-V56 WeakPolarHBondContact OG1-CG1 3.48Å; T53-V56 WeakPolarHBondContact OG1-CG2 3.46Å; V56-L58 HydrophobicContact CG2-CD2 4.34Å; V56-W81 VanDerWaalsContact O-CD1 3.31Å; V56-W81 PolarHBondContact O-NE1 3.15Å; V56-G83 PolarHBondContact O-N 3.07Å; V56-V86 WeakPolarHBondContact O-CG2 3.33Å
57R97.3Very high95.1Very high40 Ų4036.8 Ų36.815%0.15121%0.206CC..EExtended strand (participates in β ladder)trans-124.9138.3166.457.3171.2-176.415915.9108.9Y31 W81 V86 Q90 T94Y31-R57 HydrophobicContact CD2-CG 4.27Å; Y31-R57 HydrophobicContact CE2-CG 4.07Å; R57-W81 VanDerWaalsContact CA-O 3.29Å; R57-W81 WeakPolarHBondContact CA-O 3.08Å; R57-V86 HydrophobicContact CB-CG1 4.37Å; R57-V86 HydrophobicContact CB-CG2 4.24Å; R57-V86 HydrophobicContact CG-CG1 4.38Å; R57-Q90 PolarHBondContact NH1-O 3.35Å; R57-T94 WeakPolarHBondContact CD-OG1 3.26Å; R57-T94 PolarHBondContact NH1-OG1 3.28Å
58L98.3Very high93.8Very high0 Ų038.1 Ų38.10%022%0.216CC..EExtended strand (participates in β ladder)trans-157.8166.1-179.55880.5000110.3T28 F29 K30 F48 Q51 V56 A60 W81T28-L58 HydrophobicContact CG2-CD1 3.98Å; T28-L58 HydrophobicContact CG2-CD2 4.25Å; F29-L58 WeakPolarHBondContact O-CA 3.45Å; F29-L58 WeakPolarHBondContact O-CB 3.31Å; K30-L58 HydrophobicContact CG-CB 3.9Å; K30-L58 HydrophobicContact CG-CD2 4.32Å; F48-L58 HydrophobicContact CE2-CD1 4.29Å; Q51-L58 HydrophobicContact CB-CD2 4.18Å; V56-L58 HydrophobicContact CG2-CD2 4.34Å; L58-A60 HydrophobicContact CD1-CB 4.26Å; L58-W81 HydrophobicContact CD1-CB 3.83Å; L58-W81 HydrophobicContact CG-CB 4.11Å; L58-W81 PolarHBondContact N-O 3.49Å; L58-W81 PolarHBondContact O-N 3.09Å
59F98.7Very high92.2Very high0 Ų042.8 Ų42.80%025%0.254CS..EExtended strand (participates in β ladder)trans-106.6152.8166.2-49.8-87.2000108.2T28 F29 Y31 I36 L78 I79 T80 T94 D97 K98 V101T28-F59 CarbonylContact C-O 3.54Å; T28-F59 WeakPolarHBondContact CA-O 3.3Å; F29-F59 HydrophobicContact CB-CB 4.23Å; F29-F59 HydrophobicContact CD2-CB 4.1Å; F29-F59 PolarHBondContact N-O 3.43Å; F29-F59 PolarHBondContact O-N 3.33Å; Y31-F59 HydrophobicContact CE2-CE2 4.05Å; Y31-F59 AromaticContact CZ-CE2 4Å; I36-F59 HydrophobicContact CD1-CE2 4.06Å; F59-L78 HydrophobicContact CB-CD1 4.47Å; F59-I79 CarbonylContact C-O 3.49Å; F59-I79 WeakPolarHBondContact CA-O 3.5Å; F59-T80 HydrophobicContact CD1-CG2 3.81Å; F59-T80 HydrophobicContact CE1-CG2 3.67Å; F59-T94 HydrophobicContact CE1-CG2 3.74Å; F59-T94 HydrophobicContact CE2-CG2 4.46Å; F59-T94 HydrophobicContact CZ-CG2 3.6Å; F59-D97 HydrophobicContact CZ-CB 4.21Å; F59-K98 HydrophobicContact CD1-CB 4.49Å; F59-K98 HydrophobicContact CD1-CG 4.28Å; F59-K98 HydrophobicContact CE1-CB 3.68Å; F59-K98 HydrophobicContact CE1-CG 3.95Å; F59-K98 HydrophobicContact CZ-CB 4.32Å; F59-V101 HydrophobicContact CB-CG1 4.29Å; F59-V101 HydrophobicContact CB-CG2 4.34Å; F59-V101 HydrophobicContact CD1-CG2 4.23Å; F59-V101 HydrophobicContact CD2-CG2 3.54Å; F59-V101 HydrophobicContact CE1-CG2 4.45Å; F59-V101 HydrophobicContact CE2-CG2 3.79Å; F59-V101 HydrophobicContact CG-CG1 4.47Å; F59-V101 HydrophobicContact CG-CG2 3.77Å; F59-V101 HydrophobicContact CZ-CG2 4.23Å
60A98.7Very high90.7Very high0 Ų050.3 Ų50.30%029%0.291CS..EExtended strand (participates in β ladder)trans-139.4138.6175.300000110.1V27 T28 F48 L58 V62 L78 I79V27-A60 CarbonylContact O-C 3.54Å; V27-A60 WeakPolarHBondContact O-CA 3.18Å; T28-A60 HydrophobicContact CG2-CB 4.19Å; F48-A60 HydrophobicContact CD2-CB 3.94Å; F48-A60 HydrophobicContact CE2-CB 3.21Å; F48-A60 HydrophobicContact CZ-CB 3.7Å; L58-A60 HydrophobicContact CD1-CB 4.26Å; A60-V62 HydrophobicContact CB-CG2 4.35Å; A60-L78 CarbonylContact O-C 3.56Å; A60-L78 WeakPolarHBondContact O-CA 3.21Å; A60-I79 HydrophobicContact CB-CB 4.35Å; A60-I79 PolarHBondContact N-O 3.12Å; A60-I79 PolarHBondContact O-N 3.04Å
61F98.8Very high89.4Confident0 Ų046.8 Ų46.80%028%0.28CS..EExtended strand (participates in β ladder)trans-114.5120.6172.9178-105.5000108.3Y14 V17 R18 W26 V27 F29 F76 A77 V105 F108Y14-F61 AromaticContact CD2-CD1 3.71Å; Y14-F61 HydrophobicContact CD2-CD1 3.71Å; Y14-F61 HydrophobicContact CD2-CD2 4.29Å; Y14-F61 AromaticContact CD2-CE1 3.55Å; Y14-F61 HydrophobicContact CD2-CE1 3.55Å; Y14-F61 HydrophobicContact CD2-CE2 4.11Å; Y14-F61 HydrophobicContact CD2-CG 4.07Å; Y14-F61 AromaticContact CD2-CZ 3.75Å; Y14-F61 HydrophobicContact CD2-CZ 3.75Å; Y14-F61 HydrophobicContact CE2-CD1 4.26Å; Y14-F61 HydrophobicContact CE2-CD2 4.31Å; Y14-F61 AromaticContact CE2-CE1 3.73Å; Y14-F61 HydrophobicContact CE2-CE1 3.73Å; Y14-F61 AromaticContact CE2-CE2 3.74Å; Y14-F61 HydrophobicContact CE2-CE2 3.74Å; Y14-F61 AromaticContact CE2-CZ 3.42Å; Y14-F61 HydrophobicContact CE2-CZ 3.42Å; Y14-F61 VanDerWaalsContact CE2-CZ 3.42Å; V17-F61 HydrophobicContact CB-CD1 3.74Å; V17-F61 HydrophobicContact CB-CE1 3.83Å; V17-F61 HydrophobicContact CG1-CD1 3.61Å; V17-F61 HydrophobicContact CG1-CE1 3.6Å; V17-F61 HydrophobicContact CG2-CD1 4.31Å; R18-F61 HydrophobicContact CG-CE1 3.74Å; R18-F61 HydrophobicContact CG-CZ 3.87Å; W26-F61 WeakPolarHBondContact CA-O 3.47Å; V27-F61 HydrophobicContact CG1-CB 4.15Å; V27-F61 PolarHBondContact N-O 3.14Å; V27-F61 PolarHBondContact O-N 2.96Å; F29-F61 HydrophobicContact CE2-CB 3.93Å; F29-F61 HydrophobicContact CZ-CB 4.49Å; F61-F76 HydrophobicContact CD2-CB 4.44Å; F61-F76 AromaticContact CE1-CD1 3.64Å; F61-F76 HydrophobicContact CE1-CD1 3.64Å; F61-F76 HydrophobicContact CE1-CE1 4.2Å; F61-F76 HydrophobicContact CE1-CG 4.32Å; F61-F76 HydrophobicContact CE2-CB 3.46Å; F61-F76 VanDerWaalsContact CE2-CB 3.46Å; F61-F76 HydrophobicContact CE2-CD1 4.14Å; F61-F76 HydrophobicContact CE2-CG 4.05Å; F61-F76 HydrophobicContact CZ-CB 3.49Å; F61-F76 VanDerWaalsContact CZ-CB 3.49Å; F61-F76 AromaticContact CZ-CD1 3.3Å; F61-F76 HydrophobicContact CZ-CD1 3.3Å; F61-F76 HydrophobicContact CZ-CD2 4.49Å; F61-F76 HydrophobicContact CZ-CE1 4.12Å; F61-F76 AromaticContact CZ-CG 3.52Å; F61-F76 HydrophobicContact CZ-CG 3.52Å; F61-A77 WeakPolarHBondContact CA-O 3.21Å; F61-V105 HydrophobicContact CB-CG1 4.43Å; F61-V105 HydrophobicContact CD2-CG1 3.34Å; F61-V105 HydrophobicContact CE2-CG1 3.72Å; F61-V105 HydrophobicContact CG-CG1 4.03Å; F61-F108 HydrophobicContact CE2-CB 4.14Å
62V98.4Very high88.6Confident0 Ų052 Ų520%030%0.302CS..EExtended strand (participates in β ladder)trans-129.5132.3-169.4-172.70000110.5I25 W26 Y45 F48 A60 F64 F76 A77 I79I25-V62 CarbonylContact O-C 3.51Å; I25-V62 WeakPolarHBondContact O-CA 3.45Å; W26-V62 HydrophobicContact CB-CB 4.34Å; W26-V62 HydrophobicContact CB-CG1 4.11Å; W26-V62 HydrophobicContact CB-CG2 3.89Å; Y45-V62 HydrophobicContact CD2-CG1 3.89Å; Y45-V62 HydrophobicContact CE2-CG1 3.82Å; Y45-V62 HydrophobicContact CE2-CG2 4.31Å; F48-V62 HydrophobicContact CE1-CG2 4.5Å; A60-V62 HydrophobicContact CB-CG2 4.35Å; V62-F64 HydrophobicContact CB-CD2 4.36Å; V62-F64 HydrophobicContact CB-CE2 3.63Å; V62-F64 HydrophobicContact CB-CZ 4Å; V62-F64 HydrophobicContact CG1-CD2 4.06Å; V62-F64 HydrophobicContact CG1-CE1 4.06Å; V62-F64 HydrophobicContact CG1-CE2 3.47Å; V62-F64 VanDerWaalsContact CG1-CE2 3.47Å; V62-F64 HydrophobicContact CG1-CZ 3.49Å; V62-F64 VanDerWaalsContact CG1-CZ 3.49Å; V62-F76 CarbonylContact O-C 3.38Å; V62-F76 VanDerWaalsContact O-CA 3.25Å; V62-F76 WeakPolarHBondContact O-CA 3.06Å; V62-A77 PolarHBondContact N-O 3.19Å; V62-A77 PolarHBondContact O-N 2.88Å; V62-I79 HydrophobicContact CG2-CD1 4.16Å
63R97.3Very high87.9Confident26 Ų2660.1 Ų60.110%0.09833%0.332CS..EExtended strand (participates in β ladder)trans-89.2126.6169.7-177.8172.764.2-161.23.3109.8V17 D19 S22 V24 I25 F76V17-R63 HydrophobicContact CG1-CB 3.81Å; V17-R63 PolarHBondContact O-NH1 3.39Å; D19-R63 PolarHBondContact O-NH1 2.72Å; S22-R63 PolarHBondContact O-NH2 3.32Å; V24-R63 PolarHBondContact O-NH2 2.9Å; I25-R63 PolarHBondContact O-N 2.98Å; R63-F76 HydrophobicContact CB-CD1 3.76Å; R63-F76 HydrophobicContact CB-CE1 3.6Å; R63-F76 HydrophobicContact CG-CD1 4.11Å; R63-F76 HydrophobicContact CG-CE1 3.62Å; R63-F76 HydrophobicContact CG-CZ 4.16Å
64F94.2Very high87.6Confident4 Ų460.2 Ų60.22%0.01834%0.335CS..EExtended strand (participates in β ladder)trans-116.6131.3170.7-62.8-86.4000109.4Y45 V62 T66 S74 K75 A77 E122 I125 K126 L129Y45-F64 HydrophobicContact CD2-CE1 4.34Å; Y45-F64 HydrophobicContact CD2-CZ 4.45Å; Y45-F64 AromaticContact CE2-CE1 3.95Å; Y45-F64 HydrophobicContact CE2-CE1 3.95Å; Y45-F64 AromaticContact CE2-CZ 3.73Å; Y45-F64 HydrophobicContact CE2-CZ 3.73Å; V62-F64 HydrophobicContact CB-CD2 4.36Å; V62-F64 HydrophobicContact CB-CE2 3.63Å; V62-F64 HydrophobicContact CB-CZ 4Å; V62-F64 HydrophobicContact CG1-CD2 4.06Å; V62-F64 HydrophobicContact CG1-CE1 4.06Å; V62-F64 HydrophobicContact CG1-CE2 3.47Å; V62-F64 VanDerWaalsContact CG1-CE2 3.47Å; V62-F64 HydrophobicContact CG1-CZ 3.49Å; V62-F64 VanDerWaalsContact CG1-CZ 3.49Å; F64-T66 HydrophobicContact CB-CG2 4.46Å; F64-S74 WeakPolarHBondContact O-CA 3.35Å; F64-K75 PolarHBondContact N-O 3.36Å; F64-K75 PolarHBondContact O-N 3.13Å; F64-A77 HydrophobicContact CD2-CB 4.35Å; F64-A77 HydrophobicContact CE2-CB 3.87Å; F64-E122 HydrophobicContact CD1-CG 4.26Å; F64-E122 HydrophobicContact CE1-CG 4Å; F64-I125 HydrophobicContact CD2-CG2 4.24Å; F64-I125 HydrophobicContact CE1-CB 4.38Å; F64-I125 HydrophobicContact CE1-CG2 4.19Å; F64-I125 HydrophobicContact CE2-CB 4.46Å; F64-I125 HydrophobicContact CE2-CG2 3.47Å; F64-I125 VanDerWaalsContact CE2-CG2 3.47Å; F64-I125 HydrophobicContact CZ-CB 3.96Å; F64-I125 HydrophobicContact CZ-CG2 3.43Å; F64-I125 VanDerWaalsContact CZ-CG2 3.43Å; F64-K126 HydrophobicContact CB-CG 4.37Å; F64-K126 HydrophobicContact CD1-CG 3.84Å; F64-K126 HydrophobicContact CG-CG 4.35Å; F64-L129 HydrophobicContact CB-CD1 4Å; F64-L129 HydrophobicContact CD2-CD1 3.34Å; F64-L129 HydrophobicContact CE2-CD1 3.98Å; F64-L129 HydrophobicContact CG-CD1 3.82Å
65T88.1Confident87.4Confident81 Ų8159.7 Ų59.750%0.49733%0.331SS..EExtended strand (participates in β ladder)trans-83.2121.8167-52.10000108.5K72T65-K72 HydrophobicContact CG2-CB 4.02Å; T65-K72 HydrophobicContact CG2-CD 4.31Å; T65-K72 HydrophobicContact CG2-CG 4.21Å
66T80Confident87.3Confident23 Ų2355.8 Ų55.814%0.14131%0.308CS..EExtended strand (participates in β ladder)trans-121.4153.8177.162.90000110.2F64 R73 K75F64-T66 HydrophobicContact CB-CG2 4.46Å; T66-R73 PolarHBondContact N-O 2.72Å; T66-R73 PolarHBondContact O-N 3Å; T66-R73 PolarHBondContact OG1-O 3.49Å; T66-K75 HydrophobicContact CG2-CB 4.49Å; T66-K75 HydrophobicContact CG2-CD 4.2Å
67G73.4Confident87.4Confident66 Ų6653.5 Ų53.568%0.6829%0.294SS*.SBendtrans109.5178179.600000113.8S71G67-S71 WeakPolarHBondContact CA-O 3.33Å
68D71Confident87.5Confident104 Ų10451.6 Ų51.656%0.55629%0.287SS*.  trans-94.6-174.2-178.76240.7000112.5M70 S71D68-M70 PolarHBondContact O-N 3.15Å; D68-M70 VanDerWaalsContact O-N 3.09Å; D68-M70 PolarHBondContact OD1-N 2.85Å; D68-S71 PolarHBondContact O-N 3.03Å; D68-S71 PolarHBondContact OD1-N 2.75Å; D68-S71 VanDerWaalsContact OD1-N 3.1Å
69A64.3Low87.5Confident99 Ų9951.6 Ų51.682%0.81829%0.287SS*.THydrogen-bonded Turntrans-56.9-23.3-178.600000114.3
70M66.4Low87.5Confident188 Ų18851.7 Ų51.793%0.92629%0.288SS*.THydrogen-bonded Turntrans-104.6-10.5-177.8-59.5-148.6-146.700113.8D68D68-M70 PolarHBondContact O-N 3.15Å; D68-M70 VanDerWaalsContact O-N 3.09Å; D68-M70 PolarHBondContact OD1-N 2.85Å
71S70.1Confident87.4Confident48 Ų4851.7 Ų51.734%0.33629%0.288SS..  trans-144.361.4-177.7-170.20000112.7G67 D68 R73G67-S71 WeakPolarHBondContact CA-O 3.33Å; D68-S71 PolarHBondContact O-N 3.03Å; D68-S71 PolarHBondContact OD1-N 2.75Å; D68-S71 VanDerWaalsContact OD1-N 3.1Å; S71-R73 PolarHBondContact O-N 2.77Å; S71-R73 PolarHBondContact OG-NE 2.85Å
72K79.3Confident87.4Confident160 Ų16052 Ų5270%0.69629%0.29SS*.  trans-69.1121.1169.9-67.6-177-178.2178.80109.9T65T65-K72 HydrophobicContact CG2-CB 4.02Å; T65-K72 HydrophobicContact CG2-CD 4.31Å; T65-K72 HydrophobicContact CG2-CG 4.21Å
73R83.6Confident87.3Confident169 Ų16952 Ų5264%0.63829%0.29SS*.EExtended strand (participates in β ladder)trans-128.4129.1175.1-62.1-173.1-173.2-149.91110.5T66 S71 K75T66-R73 PolarHBondContact N-O 2.72Å; T66-R73 PolarHBondContact O-N 3Å; T66-R73 PolarHBondContact OG1-O 3.49Å; S71-R73 PolarHBondContact O-N 2.77Å; S71-R73 PolarHBondContact OG-NE 2.85Å; R73-K75 PolarHBondContact O-N 2.96Å
74S90.8Very high87.3Confident47 Ų4756.7 Ų56.733%0.32931%0.313SS..EExtended strand (participates in β ladder)trans-69.1124.1170.1-62.80000109.4D20 F64D20-S74 PolarHBondContact OD1-OG 3.02Å; F64-S74 WeakPolarHBondContact O-CA 3.35Å
75K92.9Very high87.4Confident38 Ų3861.6 Ų61.617%0.16534%0.339CS..EExtended strand (participates in β ladder)trans-115.4146.1165.6-72.7-173.8179.11750108.2F64 T66 R73 A109 L129F64-K75 PolarHBondContact N-O 3.36Å; F64-K75 PolarHBondContact O-N 3.13Å; T66-K75 HydrophobicContact CG2-CB 4.49Å; T66-K75 HydrophobicContact CG2-CD 4.2Å; R73-K75 PolarHBondContact O-N 2.96Å; K75-A109 HydrophobicContact CB-CB 4.45Å; K75-L129 HydrophobicContact CB-CD1 4.35Å; K75-L129 HydrophobicContact CD-CB 4.1Å; K75-L129 PolarHBondContact NZ-O 2.78Å
76F96.1Very high87.8Confident30 Ų3058.2 Ų58.213%0.13232%0.318CS..EExtended strand (participates in β ladder)trans-116.7142.1-179.8-55.9-90.6000110.4V17 R18 F61 V62 R63 F108 A109V17-F76 HydrophobicContact CG1-CD1 4.34Å; V17-F76 HydrophobicContact CG1-CE1 4.31Å; R18-F76 HydrophobicContact CG-CE1 4.08Å; R18-F76 HydrophobicContact CG-CZ 4.23Å; F61-F76 HydrophobicContact CD2-CB 4.44Å; F61-F76 AromaticContact CE1-CD1 3.64Å; F61-F76 HydrophobicContact CE1-CD1 3.64Å; F61-F76 HydrophobicContact CE1-CE1 4.2Å; F61-F76 HydrophobicContact CE1-CG 4.32Å; F61-F76 HydrophobicContact CE2-CB 3.46Å; F61-F76 VanDerWaalsContact CE2-CB 3.46Å; F61-F76 HydrophobicContact CE2-CD1 4.14Å; F61-F76 HydrophobicContact CE2-CG 4.05Å; F61-F76 HydrophobicContact CZ-CB 3.49Å; F61-F76 VanDerWaalsContact CZ-CB 3.49Å; F61-F76 AromaticContact CZ-CD1 3.3Å; F61-F76 HydrophobicContact CZ-CD1 3.3Å; F61-F76 HydrophobicContact CZ-CD2 4.49Å; F61-F76 HydrophobicContact CZ-CE1 4.12Å; F61-F76 AromaticContact CZ-CG 3.52Å; F61-F76 HydrophobicContact CZ-CG 3.52Å; V62-F76 CarbonylContact O-C 3.38Å; V62-F76 VanDerWaalsContact O-CA 3.25Å; V62-F76 WeakPolarHBondContact O-CA 3.06Å; R63-F76 HydrophobicContact CB-CD1 3.76Å; R63-F76 HydrophobicContact CB-CE1 3.6Å; R63-F76 HydrophobicContact CG-CD1 4.11Å; R63-F76 HydrophobicContact CG-CE1 3.62Å; R63-F76 HydrophobicContact CG-CZ 4.16Å; F76-F108 HydrophobicContact CB-CB 4.28Å; F76-A109 PolarHBondContact O-N 3.48Å
77A97.8Very high88.5Confident0 Ų059.8 Ų59.80%033%0.33CS..EExtended strand (participates in β ladder)trans-118.4141.3173.200000110.3F61 V62 F64 I79 K110 F112 I125 L129F61-A77 WeakPolarHBondContact CA-O 3.21Å; V62-A77 PolarHBondContact N-O 3.19Å; V62-A77 PolarHBondContact O-N 2.88Å; F64-A77 HydrophobicContact CD2-CB 4.35Å; F64-A77 HydrophobicContact CE2-CB 3.87Å; A77-I79 HydrophobicContact CB-CG1 4.25Å; A77-K110 WeakPolarHBondContact CA-O 3.27Å; A77-F112 HydrophobicContact CB-CD2 4Å; A77-F112 HydrophobicContact CB-CE2 3.75Å; A77-I125 HydrophobicContact CB-CG2 4.29Å; A77-L129 HydrophobicContact CB-CD1 4.32Å; A77-L129 HydrophobicContact CB-CD2 4.27Å
78L98.5Very high89.5Confident0 Ų059.3 Ų59.30%033%0.325CS..EExtended strand (participates in β ladder)trans-100.1109163.8176.362.5000108.4F59 A60 V101 K102 V105 F108 K110 E111 F112F59-L78 HydrophobicContact CB-CD1 4.47Å; A60-L78 CarbonylContact O-C 3.56Å; A60-L78 WeakPolarHBondContact O-CA 3.21Å; L78-V101 HydrophobicContact CD1-CG1 4.11Å; L78-K102 HydrophobicContact CD2-CD 4.08Å; L78-K102 HydrophobicContact CD2-CG 3.66Å; L78-V105 HydrophobicContact CD1-CG1 4.34Å; L78-F108 HydrophobicContact CB-CD1 4.26Å; L78-F108 HydrophobicContact CB-CD2 4.14Å; L78-F108 HydrophobicContact CB-CE1 4.47Å; L78-F108 HydrophobicContact CB-CE2 4.37Å; L78-F108 HydrophobicContact CB-CG 4.08Å; L78-F108 HydrophobicContact CD2-CE1 4.16Å; L78-F108 HydrophobicContact CD2-CZ 4.2Å; L78-K110 PolarHBondContact N-O 2.96Å; L78-K110 VanDerWaalsContact N-O 3.13Å; L78-E111 HydrophobicContact CB-CB 4.32Å; L78-E111 CarbonylContact O-C 3.54Å; L78-E111 WeakPolarHBondContact O-CA 3.41Å; L78-F112 PolarHBondContact O-N 3.43Å
79I98.5Very high90.6Very high0 Ų060 Ų600%033%0.329CS..EExtended strand (participates in β ladder)trans-101.2127.5-180-59.9172.8000108.7F48 F59 A60 V62 A77 F112 I114 L120 I125F48-I79 HydrophobicContact CE1-CD1 4.1Å; F48-I79 HydrophobicContact CZ-CD1 4.21Å; F48-I79 HydrophobicContact CZ-CG2 4.32Å; F59-I79 CarbonylContact C-O 3.49Å; F59-I79 WeakPolarHBondContact CA-O 3.5Å; A60-I79 HydrophobicContact CB-CB 4.35Å; A60-I79 PolarHBondContact N-O 3.12Å; A60-I79 PolarHBondContact O-N 3.04Å; V62-I79 HydrophobicContact CG2-CD1 4.16Å; A77-I79 HydrophobicContact CB-CG1 4.25Å; I79-F112 HydrophobicContact CG1-CB 4.3Å; I79-F112 HydrophobicContact CG1-CD2 4.16Å; I79-I114 HydrophobicContact CG2-CD1 4.04Å; I79-L120 HydrophobicContact CG2-CD2 3.76Å; I79-I125 HydrophobicContact CD1-CD1 4.33Å; I79-I125 HydrophobicContact CD1-CG1 4.46Å
80T98.4Very high92Very high2 Ų259.2 Ų59.21%0.01231%0.308CS..EExtended strand (participates in β ladder)trans-103.1109.7169.8-54.30000108F59 I82 T94 K98 F112 V113 I114F59-T80 HydrophobicContact CD1-CG2 3.81Å; F59-T80 HydrophobicContact CE1-CG2 3.67Å; T80-I82 HydrophobicContact CG2-CD1 4.34Å; T80-I82 HydrophobicContact CG2-CG1 4.14Å; T80-T94 HydrophobicContact CG2-CG2 3.52Å; T80-K98 WeakPolarHBondContact OG1-CD 3.41Å; T80-F112 WeakPolarHBondContact CB-O 3.17Å; T80-F112 PolarHBondContact N-O 2.84Å; T80-V113 WeakPolarHBondContact O-CA 3.36Å; T80-I114 PolarHBondContact O-N 3.05Å
81W98.4Very high93.3Very high0 Ų054.3 Ų54.30%028%0.279CS..EExtended strand (participates in β ladder)trans-91.3130.6175.5171.7-105.5000110.2C52 T53 V56 R57 L58 I114 S115 R117 L120C52-W81 HydrophobicContact CB-CD2 3.58Å; C52-W81 HydrophobicContact CB-CE3 4.07Å; C52-W81 HydrophobicContact CB-CG 3.79Å; C52-W81 HydrophobicContact CB-CZ2 4.19Å; C52-W81 WeakPolarHBondContact O-CZ2 3.44Å; C52-W81 VanDerWaalsContact SG-CG 3.58Å; T53-W81 WeakPolarHBondContact O-CZ2 3.4Å; T53-W81 PolarHBondContact O-NE1 3.47Å; V56-W81 VanDerWaalsContact O-CD1 3.31Å; V56-W81 PolarHBondContact O-NE1 3.15Å; R57-W81 VanDerWaalsContact CA-O 3.29Å; R57-W81 WeakPolarHBondContact CA-O 3.08Å; L58-W81 HydrophobicContact CD1-CB 3.83Å; L58-W81 HydrophobicContact CG-CB 4.11Å; L58-W81 PolarHBondContact N-O 3.49Å; L58-W81 PolarHBondContact O-N 3.09Å; W81-I114 WeakPolarHBondContact CA-O 3.44Å; W81-I114 HydrophobicContact CE3-CB 4.46Å; W81-I114 HydrophobicContact CE3-CG2 4.04Å; W81-I114 HydrophobicContact CZ3-CG2 3.97Å; W81-S115 WeakPolarHBondContact CH2-O 2.96Å; W81-S115 VanDerWaalsContact CZ3-C 3.44Å; W81-R117 HydrophobicContact CH2-CG 3.49Å; W81-R117 VanDerWaalsContact CH2-CG 3.49Å; W81-R117 HydrophobicContact CZ2-CG 4.14Å; W81-R117 HydrophobicContact CZ3-CG 4.02Å; W81-L120 HydrophobicContact CD2-CD1 4.36Å; W81-L120 HydrophobicContact CE3-CD1 3.67Å; W81-L120 HydrophobicContact CE3-CG 4.27Å; W81-L120 HydrophobicContact CZ3-CD1 3.85Å; W81-L120 HydrophobicContact CZ3-CG 4.38Å
82I97.7Very high94.3Very high8 Ų855.1 Ų55.14%0.04129%0.289CS..EExtended strand (participates in β ladder)trans-135.597.7173.5-46.6176.8000108.7T80 V86 R91 T94 V113 I114 S115T80-I82 HydrophobicContact CG2-CD1 4.34Å; T80-I82 HydrophobicContact CG2-CG1 4.14Å; I82-V86 HydrophobicContact CG2-CB 4.03Å; I82-V86 HydrophobicContact CG2-CG1 4.05Å; I82-V86 HydrophobicContact CG2-CG2 4.42Å; I82-R91 HydrophobicContact CD1-CG 4.08Å; I82-R91 HydrophobicContact CG2-CB 4.08Å; I82-R91 HydrophobicContact CG2-CG 4.03Å; I82-R91 PolarHBondContact O-NH1 3.04Å; I82-T94 HydrophobicContact CD1-CG2 4.06Å; I82-T94 HydrophobicContact CG1-CG2 4.08Å; I82-V113 HydrophobicContact CD1-CG1 4.18Å; I82-I114 PolarHBondContact N-O 3.29Å; I82-S115 WeakPolarHBondContact O-CA 3.35Å; I82-S115 WeakPolarHBondContact O-CB 3.34Å
83G97.4Very high94.9Very high0 Ų052.2 Ų52.20%028%0.276CS..  trans-55.3153177.700000113.2D54 V56 N85 V86 R91D54-G83 CarbonylContact O-C 3.05Å; D54-G83 WeakPolarHBondContact O-CA 3.4Å; V56-G83 PolarHBondContact O-N 3.07Å; G83-N85 VanDerWaalsContact C-N 3.29Å; G83-N85 PolarHBondContact O-N 2.86Å; G83-V86 WeakPolarHBondContact O-CB 3.24Å; G83-V86 WeakPolarHBondContact O-CG2 3.49Å; G83-V86 PolarHBondContact O-N 3.4Å; G83-R91 PolarHBondContact O-NH2 3.2Å
84E95.9Very high95.4Very high124 Ų12444.1 Ų44.158%0.57925%0.246SC*.THydrogen-bonded Turntrans-63.5-33.9-173.4-62.2-168.6156.600113.1D54 V86D54-E84 PolarHBondContact O-N 3.3Å; E84-V86 VanDerWaalsContact C-N 3.28Å; E84-V86 PolarHBondContact O-N 3.34Å
85N96.7Very high95.2Very high106 Ų10644 Ų4457%0.56725%0.252SS*.THydrogen-bonded Turntrans-81.2-6.4-179.2-59.5-24.7000113.2D54 D55 G83 S87D54-N85 WeakPolarHBondContact O-CA 3.49Å; D54-N85 WeakPolarHBondContact O-CB 3.41Å; D54-N85 PolarHBondContact O-N 3.44Å; D55-N85 WeakPolarHBondContact OD1-CB 3.32Å; D55-N85 PolarHBondContact OD1-ND2 2.96Å; G83-N85 VanDerWaalsContact C-N 3.29Å; G83-N85 PolarHBondContact O-N 2.86Å; N85-S87 PolarHBondContact O-N 3.12Å
86V96Very high95.1Very high10 Ų1046.9 Ų46.96%0.06127%0.273CS..SBendtrans-65.7127.6175.6176.40000109.9V56 R57 I82 G83 E84 Q90V56-V86 WeakPolarHBondContact O-CG2 3.33Å; R57-V86 HydrophobicContact CB-CG1 4.37Å; R57-V86 HydrophobicContact CB-CG2 4.24Å; R57-V86 HydrophobicContact CG-CG1 4.38Å; I82-V86 HydrophobicContact CG2-CB 4.03Å; I82-V86 HydrophobicContact CG2-CG1 4.05Å; I82-V86 HydrophobicContact CG2-CG2 4.42Å; G83-V86 WeakPolarHBondContact O-CB 3.24Å; G83-V86 WeakPolarHBondContact O-CG2 3.49Å; G83-V86 PolarHBondContact O-N 3.4Å; E84-V86 VanDerWaalsContact C-N 3.28Å; E84-V86 PolarHBondContact O-N 3.34Å; V86-Q90 HydrophobicContact CG1-CB 3.46Å; V86-Q90 VanDerWaalsContact CG1-CB 3.46Å
87S95.9Very high95.1Very high56 Ų5645.9 Ų45.939%0.39227%0.269SS..  trans-55.4147.9-177.767.90000112.8N85 L89 Q90 R91N85-S87 PolarHBondContact O-N 3.12Å; S87-L89 PolarHBondContact O-N 2.81Å; S87-L89 VanDerWaalsContact O-N 3.14Å; S87-Q90 WeakPolarHBondContact O-CB 3.47Å; S87-Q90 PolarHBondContact O-N 3.35Å; S87-Q90 WeakPolarHBondContact OG-CB 3.43Å; S87-Q90 VanDerWaalsContact OG-CG 3.3Å; S87-Q90 WeakPolarHBondContact OG-CG 3.17Å; S87-Q90 PolarHBondContact OG-N 3.38Å; S87-Q90 PolarHBondContact OG-OE1 3.31Å; S87-R91 PolarHBondContact O-N 2.93Å
88G94.3Very high95Very high57 Ų5747 Ų4759%0.58827%0.274SS*.Hα-helixtrans-55.1-35.5179.700000113.7R91 A92G88-R91 PolarHBondContact O-N 3.49Å; G88-A92 WeakPolarHBondContact O-CB 3.39Å; G88-A92 PolarHBondContact O-N 2.81Å
89L93.1Very high94.9Very high119 Ų11950.8 Ų50.862%0.62330%0.297SS*.Hα-helixtrans-66.9-42.2175.7-178.562.3000112.3S87 K93S87-L89 PolarHBondContact O-N 2.81Å; S87-L89 VanDerWaalsContact O-N 3.14Å; L89-K93 WeakPolarHBondContact O-CG 3.38Å; L89-K93 PolarHBondContact O-N 3.44Å
90Q93.6Very high94.8Very high82 Ų8252.3 Ų52.338%0.38331%0.305SS..Hα-helixtrans-65.6-43.6174.8-76.2169.2-4500110.5R57 V86 S87 A92 K93 T94R57-Q90 PolarHBondContact NH1-O 3.35Å; V86-Q90 HydrophobicContact CG1-CB 3.46Å; V86-Q90 VanDerWaalsContact CG1-CB 3.46Å; S87-Q90 WeakPolarHBondContact O-CB 3.47Å; S87-Q90 PolarHBondContact O-N 3.35Å; S87-Q90 WeakPolarHBondContact OG-CB 3.43Å; S87-Q90 VanDerWaalsContact OG-CG 3.3Å; S87-Q90 WeakPolarHBondContact OG-CG 3.17Å; S87-Q90 PolarHBondContact OG-N 3.38Å; S87-Q90 PolarHBondContact OG-OE1 3.31Å; Q90-A92 PolarHBondContact O-N 3.3Å; Q90-K93 PolarHBondContact O-N 3.47Å; Q90-T94 PolarHBondContact O-N 2.99Å; Q90-T94 PolarHBondContact O-OG1 3.48Å
91R93.6Very high94.8Very high84 Ų8452.2 Ų52.232%0.31730%0.304SS..Hα-helixtrans-55.3-48.1175.2-179.1177.7-55.7-81.1-5.3112I82 G83 S87 G88 K93 T94I82-R91 HydrophobicContact CD1-CG 4.08Å; I82-R91 HydrophobicContact CG2-CB 4.08Å; I82-R91 HydrophobicContact CG2-CG 4.03Å; I82-R91 PolarHBondContact O-NH1 3.04Å; G83-R91 PolarHBondContact O-NH2 3.2Å; S87-R91 PolarHBondContact O-N 2.93Å; G88-R91 PolarHBondContact O-N 3.49Å; R91-K93 PolarHBondContact O-N 2.91Å; R91-T94 PolarHBondContact O-N 3.05Å
92A91.9Very high94.8Very high66 Ų6655.4 Ų55.455%0.54532%0.318SS..Hα-helixtrans-60.8-43.3177.200000112.1G88 Q90 T94 G95G88-A92 WeakPolarHBondContact O-CB 3.39Å; G88-A92 PolarHBondContact O-N 2.81Å; Q90-A92 PolarHBondContact O-N 3.3Å; A92-T94 PolarHBondContact O-N 2.76Å; A92-G95 PolarHBondContact O-N 3.3Å
93K92.6Very high94.8Very high98 Ų9859 Ų5943%0.42634%0.335SS..Hα-helixtrans-65.6-35.6177.8-76.6-178.6177.8-178.50113.2L89 Q90 R91 G95 T96 D97L89-K93 WeakPolarHBondContact O-CG 3.38Å; L89-K93 PolarHBondContact O-N 3.44Å; Q90-K93 PolarHBondContact O-N 3.47Å; R91-K93 PolarHBondContact O-N 2.91Å; K93-G95 PolarHBondContact O-N 3.04Å; K93-T96 PolarHBondContact O-N 3.33Å; K93-T96 VanDerWaalsContact O-N 3.07Å; K93-D97 WeakPolarHBondContact O-CB 3.43Å; K93-D97 PolarHBondContact O-N 3.18Å
94T93.2Very high94.8Very high0 Ų059.2 Ų59.20%034%0.336CS..Hα-helixtrans-57.8-38.6-179.4-48.50000111.8R57 F59 T80 I82 Q90 R91 A92 T96 D97 K98R57-T94 WeakPolarHBondContact CD-OG1 3.26Å; R57-T94 PolarHBondContact NH1-OG1 3.28Å; F59-T94 HydrophobicContact CE1-CG2 3.74Å; F59-T94 HydrophobicContact CE2-CG2 4.46Å; F59-T94 HydrophobicContact CZ-CG2 3.6Å; T80-T94 HydrophobicContact CG2-CG2 3.52Å; I82-T94 HydrophobicContact CD1-CG2 4.06Å; I82-T94 HydrophobicContact CG1-CG2 4.08Å; Q90-T94 PolarHBondContact O-N 2.99Å; Q90-T94 PolarHBondContact O-OG1 3.48Å; R91-T94 PolarHBondContact O-N 3.05Å; A92-T94 PolarHBondContact O-N 2.76Å; T94-T96 PolarHBondContact O-N 3.26Å; T94-D97 PolarHBondContact O-N 3Å; T94-K98 WeakPolarHBondContact O-CB 3.37Å; T94-K98 PolarHBondContact O-N 3.17Å
95G87.4Confident94.9Very high45 Ų4553.3 Ų53.346%0.46431%0.309SS..Hα-helixtrans-62.7-40.9176.800000113A92 K93 K98A92-G95 PolarHBondContact O-N 3.3Å; K93-G95 PolarHBondContact O-N 3.04Å; G95-K98 WeakPolarHBondContact O-CB 3.03Å
96T90.8Very high94.8Very high97 Ų9755 Ų5560%0.59531%0.313SS*.Hα-helixtrans-69.7-48.1174.6-52.70000111.2K93 T94 K98 T99K93-T96 PolarHBondContact O-N 3.33Å; K93-T96 VanDerWaalsContact O-N 3.07Å; T94-T96 PolarHBondContact O-N 3.26Å; T96-K98 PolarHBondContact O-N 3.3Å; T96-T99 PolarHBondContact O-N 2.84Å; T96-T99 VanDerWaalsContact O-N 3.09Å; T96-T99 PolarHBondContact O-OG1 3.38Å
97D95.3Very high94.7Very high9 Ų958.7 Ų58.75%0.04833%0.332CS..Hα-helixtrans-63.4-24.6-178.1-65.5-24.1000112.5T3 Y31 I36 F59 K93 T94 T99 L100 V101T3-D97 WeakPolarHBondContact CB-OD1 3.08Å; T3-D97 HydrophobicContact CG2-CB 4.25Å; T3-D97 WeakPolarHBondContact CG2-OD1 3.36Å; T3-D97 PolarHBondContact OG1-OD1 3.01Å; T3-D97 PolarHBondContact OG1-OD2 2.89Å; Y31-D97 HydrophobicContact CE1-CB 4.37Å; Y31-D97 VanDerWaalsContact CE1-OD2 3.26Å; Y31-D97 WeakPolarHBondContact CE1-OD2 3.49Å; Y31-D97 WeakPolarHBondContact OH-CB 3.46Å; Y31-D97 PolarHBondContact OH-OD2 3.09Å; I36-D97 HydrophobicContact CD1-CB 4.17Å; F59-D97 HydrophobicContact CZ-CB 4.21Å; K93-D97 WeakPolarHBondContact O-CB 3.43Å; K93-D97 PolarHBondContact O-N 3.18Å; T94-D97 PolarHBondContact O-N 3Å; D97-T99 PolarHBondContact O-N 2.63Å; D97-T99 VanDerWaalsContact O-N 3.13Å; D97-L100 WeakPolarHBondContact O-CB 3.33Å; D97-L100 PolarHBondContact O-N 3.22Å; D97-V101 PolarHBondContact O-N 3.47Å
98K95.9Very high94.6Very high24 Ų2458.8 Ų58.810%0.10433%0.326CS..Hα-helixtrans-54.1-29.7172.7-167.817557.4168.60112.5F59 T80 T94 G95 T96 L100 V101 K102 E111F59-K98 HydrophobicContact CD1-CB 4.49Å; F59-K98 HydrophobicContact CD1-CG 4.28Å; F59-K98 HydrophobicContact CE1-CB 3.68Å; F59-K98 HydrophobicContact CE1-CG 3.95Å; F59-K98 HydrophobicContact CZ-CB 4.32Å; T80-K98 WeakPolarHBondContact OG1-CD 3.41Å; T94-K98 WeakPolarHBondContact O-CB 3.37Å; T94-K98 PolarHBondContact O-N 3.17Å; G95-K98 WeakPolarHBondContact O-CB 3.03Å; T96-K98 PolarHBondContact O-N 3.3Å; K98-L100 VanDerWaalsContact C-N 3.31Å; K98-L100 PolarHBondContact O-N 3.33Å; K98-V101 PolarHBondContact O-N 3.48Å; K98-K102 WeakPolarHBondContact O-CG 3.48Å; K98-K102 PolarHBondContact O-N 3.13Å; K98-K102 VanDerWaalsContact O-N 3.09Å; K98-E111 VanDerWaalsContact NZ-CD 3.35Å; K98-E111 IonicContact NZ-OE1 2.73Å; K98-E111 PolarHBondContact NZ-OE1 2.91Å; K98-E111 IonicContact NZ-OE2 3.81Å; K98-E111 PolarHBondContact NZ-OE2 3.27Å
99T96.2Very high94.6Very high79 Ų7958.5 Ų58.549%0.48532%0.318SS..Hα-helixtrans-64-38.5177.762.50000111.4T96 D97 V101 K102 E103T96-T99 PolarHBondContact O-N 2.84Å; T96-T99 VanDerWaalsContact O-N 3.09Å; T96-T99 PolarHBondContact O-OG1 3.38Å; D97-T99 PolarHBondContact O-N 2.63Å; D97-T99 VanDerWaalsContact O-N 3.13Å; T99-V101 VanDerWaalsContact C-N 3.35Å; T99-V101 PolarHBondContact O-N 2.63Å; T99-K102 PolarHBondContact O-N 2.77Å; T99-E103 PolarHBondContact O-N 3.48Å; T99-E103 VanDerWaalsContact O-N 3.17Å
100L97.2Very high94.7Very high32 Ų3256 Ų5617%0.16830%0.302CS..Hα-helixtrans-63.3-40.9176.5-61.1172.4000111.4T3 I5 I36 D97 K98 K102 E103T3-L100 HydrophobicContact CG2-CD1 3.8Å; I5-L100 HydrophobicContact CB-CB 4.21Å; I5-L100 WeakPolarHBondContact CD1-O 3.48Å; I5-L100 HydrophobicContact CG2-CB 3.99Å; I36-L100 HydrophobicContact CD1-CB 4.35Å; I36-L100 HydrophobicContact CD1-CD1 4.44Å; D97-L100 WeakPolarHBondContact O-CB 3.33Å; D97-L100 PolarHBondContact O-N 3.22Å; K98-L100 VanDerWaalsContact C-N 3.31Å; K98-L100 PolarHBondContact O-N 3.33Å; L100-K102 VanDerWaalsContact C-N 3.31Å; L100-K102 PolarHBondContact O-N 3.17Å; L100-E103 WeakPolarHBondContact O-CB 3.33Å; L100-E103 PolarHBondContact O-N 3.48Å
101V98Very high94.9Very high1 Ų155.5 Ų55.51%0.00630%0.3CS..Hα-helixtrans-62.7-40.6175.2-178.50000111.1I5 F29 I36 F59 L78 D97 K98 T99 E103 V104 V105I5-V101 HydrophobicContact CD1-CG2 4.47Å; F29-V101 HydrophobicContact CD2-CG1 4.13Å; F29-V101 HydrophobicContact CE2-CG1 4.41Å; I36-V101 HydrophobicContact CD1-CG2 3.93Å; I36-V101 HydrophobicContact CG2-CG2 4.21Å; F59-V101 HydrophobicContact CB-CG1 4.29Å; F59-V101 HydrophobicContact CB-CG2 4.34Å; F59-V101 HydrophobicContact CD1-CG2 4.23Å; F59-V101 HydrophobicContact CD2-CG2 3.54Å; F59-V101 HydrophobicContact CE1-CG2 4.45Å; F59-V101 HydrophobicContact CE2-CG2 3.79Å; F59-V101 HydrophobicContact CG-CG1 4.47Å; F59-V101 HydrophobicContact CG-CG2 3.77Å; F59-V101 HydrophobicContact CZ-CG2 4.23Å; L78-V101 HydrophobicContact CD1-CG1 4.11Å; D97-V101 PolarHBondContact O-N 3.47Å; K98-V101 PolarHBondContact O-N 3.48Å; T99-V101 VanDerWaalsContact C-N 3.35Å; T99-V101 PolarHBondContact O-N 2.63Å; V101-E103 PolarHBondContact O-N 2.83Å; V101-V104 PolarHBondContact O-N 2.92Å; V101-V105 HydrophobicContact CG1-CB 4.39Å; V101-V105 HydrophobicContact CG1-CG2 3.9Å; V101-V105 PolarHBondContact O-N 3.42Å
102K97.9Very high95Very high67 Ų6752.2 Ų52.229%0.29129%0.288SS..Hα-helixtrans-70.1-14.4178.2-71.3-170.2-75.8-169.60114.1L78 K98 T99 L100 V104 F108 E111L78-K102 HydrophobicContact CD2-CD 4.08Å; L78-K102 HydrophobicContact CD2-CG 3.66Å; K98-K102 WeakPolarHBondContact O-CG 3.48Å; K98-K102 PolarHBondContact O-N 3.13Å; K98-K102 VanDerWaalsContact O-N 3.09Å; T99-K102 PolarHBondContact O-N 2.77Å; L100-K102 VanDerWaalsContact C-N 3.31Å; L100-K102 PolarHBondContact O-N 3.17Å; K102-V104 PolarHBondContact O-N 3.48Å; K102-F108 HydrophobicContact CD-CE1 4.32Å; K102-F108 HydrophobicContact CD-CZ 3.93Å; K102-F108 HydrophobicContact CG-CE1 4.31Å; K102-F108 HydrophobicContact CG-CZ 4.4Å; K102-E111 IonicContact NZ-OE1 3.34Å; K102-E111 IonicContact NZ-OE2 3.48Å; K102-E111 PolarHBondContact NZ-OE2 3.44Å
103E97.1Very high95.3Very high82 Ų8253.1 Ų53.138%0.38329%0.287SS..THydrogen-bonded Turntrans-66.4-23167.4-60.7-177.5-174.700112.2K7 T99 L100 V101K7-E103 WeakPolarHBondContact CE-OE2 3.23Å; K7-E103 IonicContact NZ-OE2 2.77Å; K7-E103 PolarHBondContact NZ-OE2 3.06Å; T99-E103 PolarHBondContact O-N 3.48Å; T99-E103 VanDerWaalsContact O-N 3.17Å; L100-E103 WeakPolarHBondContact O-CB 3.33Å; L100-E103 PolarHBondContact O-N 3.48Å; V101-E103 PolarHBondContact O-N 2.83Å
104V97.8Very high95.5Very high5 Ų548.7 Ų48.73%0.0327%0.267CS..THydrogen-bonded Turntrans-103.8-51.1177.5179.70000110.9I5 K7 C10 R11 Y14 V101 K102 Q106I5-V104 HydrophobicContact CD1-CG2 3.95Å; K7-V104 HydrophobicContact CB-CG2 4.36Å; K7-V104 HydrophobicContact CG-CG2 4.32Å; C10-V104 HydrophobicContact CB-CG1 4.09Å; C10-V104 HydrophobicContact CB-CG2 4.25Å; R11-V104 HydrophobicContact CB-CG1 3.92Å; Y14-V104 HydrophobicContact CD1-CG1 4.45Å; Y14-V104 WeakPolarHBondContact CE1-O 2.94Å; V101-V104 PolarHBondContact O-N 2.92Å; K102-V104 PolarHBondContact O-N 3.48Å; V104-Q106 PolarHBondContact O-N 2.9Å; V104-Q106 VanDerWaalsContact O-N 3.14Å
105V97.5Very high95.6Very high1 Ų150.8 Ų50.81%0.00628%0.282CS..  trans-86.583.4-177.3-175.30000109.1Y14 F29 F61 L78 V101 F108Y14-V105 HydrophobicContact CD2-CB 4.21Å; Y14-V105 HydrophobicContact CD2-CG1 3.99Å; Y14-V105 HydrophobicContact CD2-CG2 3.93Å; Y14-V105 HydrophobicContact CE2-CB 4.24Å; Y14-V105 HydrophobicContact CE2-CG1 3.82Å; Y14-V105 HydrophobicContact CE2-CG2 4.46Å; Y14-V105 HydrophobicContact CG-CG2 4.35Å; F29-V105 HydrophobicContact CE2-CG2 3.87Å; F29-V105 HydrophobicContact CZ-CG2 3.97Å; F61-V105 HydrophobicContact CB-CG1 4.43Å; F61-V105 HydrophobicContact CD2-CG1 3.34Å; F61-V105 HydrophobicContact CE2-CG1 3.72Å; F61-V105 HydrophobicContact CG-CG1 4.03Å; L78-V105 HydrophobicContact CD1-CG1 4.34Å; V101-V105 HydrophobicContact CG1-CB 4.39Å; V101-V105 HydrophobicContact CG1-CG2 3.9Å; V101-V105 PolarHBondContact O-N 3.42Å; V105-F108 HydrophobicContact CG1-CD1 3.95Å; V105-F108 VanDerWaalsContact O-CE1 3.23Å; V105-F108 WeakPolarHBondContact O-CE1 3.11Å
106Q94.6Very high96Very high140 Ų14051.4 Ų51.465%0.65428%0.275SS*.  trans-94.7-28-173.5-66.3-176.6-31.200114.1V104V104-Q106 PolarHBondContact O-N 2.9Å; V104-Q106 VanDerWaalsContact O-N 3.14Å
107N94.3Very high96.1Very high88 Ų8851.4 Ų51.447%0.47126%0.264SS..  trans-110.5101-175.7-63.8-52.4000110.7Y14Y14-N107 WeakPolarHBondContact OH-CB 3.48Å; Y14-N107 PolarHBondContact OH-N 2.94Å
108F95.3Very high96Very high58 Ų5857.9 Ų57.925%0.25429%0.292SS..  trans-148.7153.9172.556.2-88.9000109.7F61 F76 L78 K102 V105 E111F61-F108 HydrophobicContact CE2-CB 4.14Å; F76-F108 HydrophobicContact CB-CB 4.28Å; L78-F108 HydrophobicContact CB-CD1 4.26Å; L78-F108 HydrophobicContact CB-CD2 4.14Å; L78-F108 HydrophobicContact CB-CE1 4.47Å; L78-F108 HydrophobicContact CB-CE2 4.37Å; L78-F108 HydrophobicContact CB-CG 4.08Å; L78-F108 HydrophobicContact CD2-CE1 4.16Å; L78-F108 HydrophobicContact CD2-CZ 4.2Å; K102-F108 HydrophobicContact CD-CE1 4.32Å; K102-F108 HydrophobicContact CD-CZ 3.93Å; K102-F108 HydrophobicContact CG-CE1 4.31Å; K102-F108 HydrophobicContact CG-CZ 4.4Å; V105-F108 HydrophobicContact CG1-CD1 3.95Å; V105-F108 VanDerWaalsContact O-CE1 3.23Å; V105-F108 WeakPolarHBondContact O-CE1 3.11Å; F108-E111 HydrophobicContact CD2-CB 4.43Å; F108-E111 HydrophobicContact CE2-CB 3.79Å; F108-E111 HydrophobicContact CE2-CG 4.28Å; F108-E111 HydrophobicContact CZ-CB 4.49Å
109A94.2Very high95.9Very high52 Ų5260.5 Ų60.543%0.4330%0.304SS..SBendtrans-83-34.9-176.900000112.6K75 F76 L129K75-A109 HydrophobicContact CB-CB 4.45Å; F76-A109 PolarHBondContact O-N 3.48Å; A109-L129 HydrophobicContact CB-CD2 3.87Å
110K95.3Very high95.9Very high66 Ų6656.8 Ų56.829%0.28728%0.281SS..EExtended strand (participates in β ladder)trans-151.6145.2178.6-172.4165.3177.2171.70110.8A77 L78 F112 E128 L129 A132A77-K110 WeakPolarHBondContact CA-O 3.27Å; L78-K110 PolarHBondContact N-O 2.96Å; L78-K110 VanDerWaalsContact N-O 3.13Å; K110-F112 HydrophobicContact CB-CE2 3.89Å; K110-F112 HydrophobicContact CB-CZ 4.16Å; K110-F112 HydrophobicContact CD-CE1 4.05Å; K110-F112 HydrophobicContact CD-CE2 4.25Å; K110-F112 HydrophobicContact CD-CZ 3.7Å; K110-F112 HydrophobicContact CG-CD2 4.45Å; K110-F112 HydrophobicContact CG-CE1 4.4Å; K110-F112 HydrophobicContact CG-CE2 3.89Å; K110-F112 HydrophobicContact CG-CZ 3.88Å; K110-E128 HydrophobicContact CD-CB 4.39Å; K110-E128 IonicContact NZ-OE2 2.62Å; K110-E128 PolarHBondContact NZ-OE2 3.09Å; K110-L129 HydrophobicContact CB-CD2 3.91Å; K110-A132 HydrophobicContact CB-CB 4.37Å; K110-A132 HydrophobicContact CD-CB 4.17Å
111E96Very high95.7Very high71 Ų7160.8 Ų60.833%0.33230%0.299SS..EExtended strand (participates in β ladder)trans-101.6145.6167.859.1169.2-13500111L78 K98 K102 F108L78-E111 HydrophobicContact CB-CB 4.32Å; L78-E111 CarbonylContact O-C 3.54Å; L78-E111 WeakPolarHBondContact O-CA 3.41Å; K98-E111 VanDerWaalsContact NZ-CD 3.35Å; K98-E111 IonicContact NZ-OE1 2.73Å; K98-E111 PolarHBondContact NZ-OE1 2.91Å; K98-E111 IonicContact NZ-OE2 3.81Å; K98-E111 PolarHBondContact NZ-OE2 3.27Å; K102-E111 IonicContact NZ-OE1 3.34Å; K102-E111 IonicContact NZ-OE2 3.48Å; K102-E111 PolarHBondContact NZ-OE2 3.44Å; F108-E111 HydrophobicContact CD2-CB 4.43Å; F108-E111 HydrophobicContact CE2-CB 3.79Å; F108-E111 HydrophobicContact CE2-CG 4.28Å; F108-E111 HydrophobicContact CZ-CB 4.49Å
112F97.6Very high95.5Very high15 Ų1563.9 Ų63.97%0.06631%0.314CS..EExtended strand (participates in β ladder)trans-126146.5179.1-60.6-95.4000109.5A77 L78 I79 T80 K110 I114 I125 E128 L129A77-F112 HydrophobicContact CB-CD2 4Å; A77-F112 HydrophobicContact CB-CE2 3.75Å; L78-F112 PolarHBondContact O-N 3.43Å; I79-F112 HydrophobicContact CG1-CB 4.3Å; I79-F112 HydrophobicContact CG1-CD2 4.16Å; T80-F112 WeakPolarHBondContact CB-O 3.17Å; T80-F112 PolarHBondContact N-O 2.84Å; K110-F112 HydrophobicContact CB-CE2 3.89Å; K110-F112 HydrophobicContact CB-CZ 4.16Å; K110-F112 HydrophobicContact CD-CE1 4.05Å; K110-F112 HydrophobicContact CD-CE2 4.25Å; K110-F112 HydrophobicContact CD-CZ 3.7Å; K110-F112 HydrophobicContact CG-CD2 4.45Å; K110-F112 HydrophobicContact CG-CE1 4.4Å; K110-F112 HydrophobicContact CG-CE2 3.89Å; K110-F112 HydrophobicContact CG-CZ 3.88Å; F112-I114 HydrophobicContact CB-CD1 3.87Å; F112-I114 HydrophobicContact CB-CG1 4.07Å; F112-I114 HydrophobicContact CG-CD1 4.46Å; F112-I125 HydrophobicContact CD1-CD1 3.97Å; F112-I125 HydrophobicContact CD2-CD1 4.45Å; F112-I125 HydrophobicContact CE1-CD1 4.03Å; F112-I125 HydrophobicContact CE2-CG2 3.99Å; F112-I125 HydrophobicContact CG-CD1 4.18Å; F112-I125 HydrophobicContact CZ-CD1 4.31Å; F112-I125 HydrophobicContact CZ-CG2 4.04Å; F112-E128 HydrophobicContact CE1-CB 3.51Å; F112-E128 HydrophobicContact CE1-CG 3.97Å; F112-E128 HydrophobicContact CZ-CB 3.62Å; F112-L129 HydrophobicContact CE2-CD2 4.36Å; F112-L129 HydrophobicContact CZ-CG 4.48Å
113V97.1Very high95.2Very high86 Ų8665.9 Ų65.952%0.52133%0.328SS..EExtended strand (participates in β ladder)trans-125.8113.3168.3-177.20000106.1T80 I82T80-V113 WeakPolarHBondContact O-CA 3.36Å; I82-V113 HydrophobicContact CD1-CG1 4.18Å
114I97.3Very high95.1Very high4 Ų465.7 Ų65.72%0.02133%0.326CS..EExtended strand (participates in β ladder)trans-127.9138.5-167.4-63.7171.4000109.3I79 T80 W81 I82 F112 D116 E119 L120 I125I79-I114 HydrophobicContact CG2-CD1 4.04Å; T80-I114 PolarHBondContact O-N 3.05Å; W81-I114 WeakPolarHBondContact CA-O 3.44Å; W81-I114 HydrophobicContact CE3-CB 4.46Å; W81-I114 HydrophobicContact CE3-CG2 4.04Å; W81-I114 HydrophobicContact CZ3-CG2 3.97Å; I82-I114 PolarHBondContact N-O 3.29Å; F112-I114 HydrophobicContact CB-CD1 3.87Å; F112-I114 HydrophobicContact CB-CG1 4.07Å; F112-I114 HydrophobicContact CG-CD1 4.46Å; I114-D116 WeakPolarHBondContact CG2-O 3.35Å; I114-E119 HydrophobicContact CD1-CB 4.34Å; I114-E119 WeakPolarHBondContact CD1-O 3.01Å; I114-E119 HydrophobicContact CG1-CB 4.3Å; I114-E119 HydrophobicContact CG2-CB 3.73Å; I114-L120 HydrophobicContact CB-CD2 4.26Å; I114-L120 HydrophobicContact CD1-CD2 3.68Å; I114-L120 HydrophobicContact CD1-CG 4.49Å; I114-L120 HydrophobicContact CG2-CD2 4.04Å; I114-L120 HydrophobicContact CG2-CG 3.96Å; I114-I125 HydrophobicContact CD1-CD1 3.72Å
115S95.9Very high94.9Very high45 Ų4565.5 Ų65.532%0.31532%0.324SS..  trans-127.4-13.4173.752.60000114.1W81 I82W81-S115 WeakPolarHBondContact CH2-O 2.96Å; W81-S115 VanDerWaalsContact CZ3-C 3.44Å; I82-S115 WeakPolarHBondContact O-CA 3.35Å; I82-S115 WeakPolarHBondContact O-CB 3.34Å
116D95.3Very high94.7Very high57 Ų5768.2 Ų68.231%0.30534%0.336SS..SBendtrans-105129.2171.6-173.2-17.8000109.3I114 K118 E119I114-D116 WeakPolarHBondContact CG2-O 3.35Å; D116-K118 PolarHBondContact O-N 2.74Å; D116-K118 WeakPolarHBondContact OD1-CB 3.43Å; D116-K118 WeakPolarHBondContact OD1-CG 3.25Å; D116-K118 PolarHBondContact OD1-N 2.95Å; D116-E119 PolarHBondContact O-N 2.73Å; D116-E119 VanDerWaalsContact O-N 3.07Å
117R93.3Very high94.5Very high97 Ų9765.9 Ų65.937%0.36633%0.328SS..G310 helixtrans-63.7-22.7178.3-65.2-174.9-130.1-167.56.6113C52 D54 W81 E119 L120C52-R117 VanDerWaalsContact O-CD 3.23Å; C52-R117 WeakPolarHBondContact O-CD 3.11Å; C52-R117 PolarHBondContact O-NE 3.09Å; D54-R117 IonicContact OD1-CZ 2.65Å; D54-R117 IonicContact OD1-NE 2.76Å; D54-R117 PolarHBondContact OD1-NE 2.89Å; D54-R117 IonicContact OD1-NH2 2.93Å; D54-R117 PolarHBondContact OD1-NH2 3.19Å; D54-R117 IonicContact OD2-NH2 2.96Å; D54-R117 PolarHBondContact OD2-NH2 3.23Å; W81-R117 HydrophobicContact CH2-CG 3.49Å; W81-R117 VanDerWaalsContact CH2-CG 3.49Å; W81-R117 HydrophobicContact CZ2-CG 4.14Å; W81-R117 HydrophobicContact CZ3-CG 4.02Å; R117-E119 PolarHBondContact O-N 2.74Å; R117-L120 HydrophobicContact CG-CD1 4.48Å; R117-L120 WeakPolarHBondContact O-CA 3.46Å; R117-L120 WeakPolarHBondContact O-CB 3.2Å; R117-L120 PolarHBondContact O-N 2.97Å
118K92.9Very high94.4Very high146 Ų14663.3 Ų63.364%0.63531%0.313SS*.G310 helixtrans-61.2-32.1173.1-64.9174.7-173.5167.50112D116 L120 E121D116-K118 PolarHBondContact O-N 2.74Å; D116-K118 WeakPolarHBondContact OD1-CB 3.43Å; D116-K118 WeakPolarHBondContact OD1-CG 3.25Å; D116-K118 PolarHBondContact OD1-N 2.95Å; K118-L120 PolarHBondContact O-N 3.1Å; K118-E121 WeakPolarHBondContact O-CB 3.29Å; K118-E121 WeakPolarHBondContact O-CG 3.5Å; K118-E121 PolarHBondContact O-N 3.07Å
119E93.6Very high94.2Very high79 Ų7960.6 Ų60.637%0.36930%0.301SS..G310 helixtrans-78.8-8.2175-64.2179.2-135.400112.7I114 D116 R117 E121 F124 I125I114-E119 HydrophobicContact CD1-CB 4.34Å; I114-E119 WeakPolarHBondContact CD1-O 3.01Å; I114-E119 HydrophobicContact CG1-CB 4.3Å; I114-E119 HydrophobicContact CG2-CB 3.73Å; D116-E119 PolarHBondContact O-N 2.73Å; D116-E119 VanDerWaalsContact O-N 3.07Å; R117-E119 PolarHBondContact O-N 2.74Å; E119-E121 VanDerWaalsContact C-N 3.31Å; E119-F124 HydrophobicContact CB-CD1 4.36Å; E119-F124 HydrophobicContact CB-CE1 4.11Å; E119-F124 HydrophobicContact CG-CE1 4.47Å; E119-F124 WeakPolarHBondContact O-CD1 3.31Å; E119-I125 WeakPolarHBondContact O-CD1 3.38Å
120L95.1Very high93.9Very high0 Ų062.2 Ų62.20%030%0.299CS..G310 helixtrans-86.92.4170-65.2176000112.8Y45 F48 I49 C52 I79 W81 I114 R117 K118 E122Y45-L120 VanDerWaalsContact CE1-O 3.24Å; Y45-L120 WeakPolarHBondContact CE1-O 3.37Å; Y45-L120 PolarHBondContact OH-O 3.03Å; F48-L120 HydrophobicContact CE1-CD2 4.13Å; F48-L120 HydrophobicContact CZ-CD2 4.11Å; I49-L120 HydrophobicContact CG1-CB 4.48Å; C52-L120 HydrophobicContact CB-CD1 3.4Å; C52-L120 VanDerWaalsContact CB-CD1 3.4Å; I79-L120 HydrophobicContact CG2-CD2 3.76Å; W81-L120 HydrophobicContact CD2-CD1 4.36Å; W81-L120 HydrophobicContact CE3-CD1 3.67Å; W81-L120 HydrophobicContact CE3-CG 4.27Å; W81-L120 HydrophobicContact CZ3-CD1 3.85Å; W81-L120 HydrophobicContact CZ3-CG 4.38Å; I114-L120 HydrophobicContact CB-CD2 4.26Å; I114-L120 HydrophobicContact CD1-CD2 3.68Å; I114-L120 HydrophobicContact CD1-CG 4.49Å; I114-L120 HydrophobicContact CG2-CD2 4.04Å; I114-L120 HydrophobicContact CG2-CG 3.96Å; R117-L120 HydrophobicContact CG-CD1 4.48Å; R117-L120 WeakPolarHBondContact O-CA 3.46Å; R117-L120 WeakPolarHBondContact O-CB 3.2Å; R117-L120 PolarHBondContact O-N 2.97Å; K118-L120 PolarHBondContact O-N 3.1Å; L120-E122 PolarHBondContact O-N 3.4Å
121E93.9Very high93.4Very high117 Ų11765.3 Ų65.355%0.54731%0.312SS..  trans-59.6133174.6-73.8-179-170.400110.8K118 E119 D123 F124 I125K118-E121 WeakPolarHBondContact O-CB 3.29Å; K118-E121 WeakPolarHBondContact O-CG 3.5Å; K118-E121 PolarHBondContact O-N 3.07Å; E119-E121 VanDerWaalsContact C-N 3.31Å; E121-D123 PolarHBondContact O-N 3.14Å; E121-F124 HydrophobicContact CB-CB 4.38Å; E121-F124 WeakPolarHBondContact O-CB 3.49Å; E121-F124 PolarHBondContact O-N 2.78Å; E121-I125 PolarHBondContact O-N 2.83Å; E121-I125 VanDerWaalsContact O-N 3.15Å
122E93.4Very high92.7Very high65 Ų6564.5 Ų64.530%0.30432%0.318SS..Hα-helixtrans-56.6-40.1-173.5-179.9166.1173.400112Y45 F64 L120 I125 K126Y45-E122 HydrophobicContact CD1-CB 3.73Å; Y45-E122 HydrophobicContact CD1-CG 4.25Å; Y45-E122 HydrophobicContact CE1-CB 3.67Å; Y45-E122 HydrophobicContact CE1-CG 4.39Å; F64-E122 HydrophobicContact CD1-CG 4.26Å; F64-E122 HydrophobicContact CE1-CG 4Å; L120-E122 PolarHBondContact O-N 3.4Å; E122-I125 PolarHBondContact O-N 3.45Å; E122-K126 HydrophobicContact CG-CD 4.01Å; E122-K126 HydrophobicContact CG-CG 4.4Å; E122-K126 WeakPolarHBondContact O-CB 3.43Å; E122-K126 VanDerWaalsContact O-CG 3.31Å; E122-K126 WeakPolarHBondContact O-CG 3.49Å; E122-K126 PolarHBondContact O-N 2.78Å; E122-K126 WeakPolarHBondContact OE1-CE 3.23Å; E122-K126 IonicContact OE1-NZ 3.54Å; E122-K126 PolarHBondContact OE1-NZ 3.16Å
123D92Very high91.5Very high110 Ų11065.8 Ų65.859%0.58834%0.335SS*.Hα-helixtrans-66.8-38.3179.3-69-33.9000112.2E121 K126 N127E121-D123 PolarHBondContact O-N 3.14Å; D123-K126 PolarHBondContact O-N 2.84Å; D123-N127 VanDerWaalsContact O-CB 3.29Å; D123-N127 WeakPolarHBondContact O-CB 3.44Å; D123-N127 PolarHBondContact O-N 3.23Å; D123-N127 PolarHBondContact O-ND2 3.26Å
124F94Very high89.6Confident78 Ų7865.2 Ų65.234%0.34235%0.346SS..Hα-helixtrans-61.5-49.7175177-96.5000110.9E119 E121 K126 N127 E128E119-F124 HydrophobicContact CB-CD1 4.36Å; E119-F124 HydrophobicContact CB-CE1 4.11Å; E119-F124 HydrophobicContact CG-CE1 4.47Å; E119-F124 WeakPolarHBondContact O-CD1 3.31Å; E121-F124 HydrophobicContact CB-CB 4.38Å; E121-F124 WeakPolarHBondContact O-CB 3.49Å; E121-F124 PolarHBondContact O-N 2.78Å; F124-K126 PolarHBondContact O-N 2.93Å; F124-N127 PolarHBondContact O-N 3.47Å; F124-E128 HydrophobicContact CE1-CG 4.24Å; F124-E128 HydrophobicContact CZ-CG 4.2Å; F124-E128 WeakPolarHBondContact O-CG 3.32Å; F124-E128 PolarHBondContact O-N 3.49Å
125I95.3Very high87.4Confident0 Ų066.9 Ų66.90%036%0.361CS..Hα-helixtrans-63.5-44.2179.4-57.1-64.1000111.2F64 A77 I79 F112 I114 E119 E121 E122 N127 E128 L129F64-I125 HydrophobicContact CD2-CG2 4.24Å; F64-I125 HydrophobicContact CE1-CB 4.38Å; F64-I125 HydrophobicContact CE1-CG2 4.19Å; F64-I125 HydrophobicContact CE2-CB 4.46Å; F64-I125 HydrophobicContact CE2-CG2 3.47Å; F64-I125 VanDerWaalsContact CE2-CG2 3.47Å; F64-I125 HydrophobicContact CZ-CB 3.96Å; F64-I125 HydrophobicContact CZ-CG2 3.43Å; F64-I125 VanDerWaalsContact CZ-CG2 3.43Å; A77-I125 HydrophobicContact CB-CG2 4.29Å; I79-I125 HydrophobicContact CD1-CD1 4.33Å; I79-I125 HydrophobicContact CD1-CG1 4.46Å; F112-I125 HydrophobicContact CD1-CD1 3.97Å; F112-I125 HydrophobicContact CD2-CD1 4.45Å; F112-I125 HydrophobicContact CE1-CD1 4.03Å; F112-I125 HydrophobicContact CE2-CG2 3.99Å; F112-I125 HydrophobicContact CG-CD1 4.18Å; F112-I125 HydrophobicContact CZ-CD1 4.31Å; F112-I125 HydrophobicContact CZ-CG2 4.04Å; I114-I125 HydrophobicContact CD1-CD1 3.72Å; E119-I125 WeakPolarHBondContact O-CD1 3.38Å; E121-I125 PolarHBondContact O-N 2.83Å; E121-I125 VanDerWaalsContact O-N 3.15Å; E122-I125 PolarHBondContact O-N 3.45Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 PolarHBondContact O-N 3.08Å; I125-E128 PolarHBondContact O-N 2.62Å; I125-L129 HydrophobicContact CG2-CD1 4.01Å; I125-L129 HydrophobicContact CG2-CG 4.38Å; I125-L129 WeakPolarHBondContact O-CB 3.43Å; I125-L129 VanDerWaalsContact O-CG 3.31Å; I125-L129 WeakPolarHBondContact O-CG 3.42Å; I125-L129 PolarHBondContact O-N 3.45Å
126K92.4Very high85Confident59 Ų5970.5 Ų70.526%0.25738%0.377SS..Hα-helixtrans-59.8-42.8176.4-79.5177.2-179.9166.70112.2F64 E122 D123 F124 E128 L129 K130F64-K126 HydrophobicContact CB-CG 4.37Å; F64-K126 HydrophobicContact CD1-CG 3.84Å; F64-K126 HydrophobicContact CG-CG 4.35Å; E122-K126 HydrophobicContact CG-CD 4.01Å; E122-K126 HydrophobicContact CG-CG 4.4Å; E122-K126 WeakPolarHBondContact O-CB 3.43Å; E122-K126 VanDerWaalsContact O-CG 3.31Å; E122-K126 WeakPolarHBondContact O-CG 3.49Å; E122-K126 PolarHBondContact O-N 2.78Å; E122-K126 WeakPolarHBondContact OE1-CE 3.23Å; E122-K126 IonicContact OE1-NZ 3.54Å; E122-K126 PolarHBondContact OE1-NZ 3.16Å; D123-K126 PolarHBondContact O-N 2.84Å; F124-K126 PolarHBondContact O-N 2.93Å; K126-E128 VanDerWaalsContact C-N 3.34Å; K126-E128 PolarHBondContact O-N 3.35Å; K126-L129 PolarHBondContact O-N 3.1Å; K126-K130 PolarHBondContact O-N 3.27Å
127N91.3Very high82.9Confident91 Ų9177.2 Ų77.249%0.48740%0.399SS..Hα-helixtrans-61.9-43.7177.5-75.5-28.1000111.3D123 F124 I125 L129 K130 K131D123-N127 VanDerWaalsContact O-CB 3.29Å; D123-N127 WeakPolarHBondContact O-CB 3.44Å; D123-N127 PolarHBondContact O-N 3.23Å; D123-N127 PolarHBondContact O-ND2 3.26Å; F124-N127 PolarHBondContact O-N 3.47Å; I125-N127 VanDerWaalsContact C-N 3.34Å; I125-N127 PolarHBondContact O-N 3.08Å; N127-L129 VanDerWaalsContact C-N 3.35Å; N127-L129 PolarHBondContact O-N 3.41Å; N127-K130 WeakPolarHBondContact O-CB 3.47Å; N127-K130 PolarHBondContact O-N 3.1Å; N127-K131 WeakPolarHBondContact O-CG 3.46Å; N127-K131 PolarHBondContact O-N 3.09Å; N127-K131 VanDerWaalsContact O-N 3.09Å
128E92.3Very high80.6Confident34 Ų3478.8 Ų78.816%0.15942%0.415CS..Hα-helixtrans-65.6-36.4176.2-71.1-59.8115.100112.8K110 F112 F124 I125 K126 K131 A132K110-E128 HydrophobicContact CD-CB 4.39Å; K110-E128 IonicContact NZ-OE2 2.62Å; K110-E128 PolarHBondContact NZ-OE2 3.09Å; F112-E128 HydrophobicContact CE1-CB 3.51Å; F112-E128 HydrophobicContact CE1-CG 3.97Å; F112-E128 HydrophobicContact CZ-CB 3.62Å; F124-E128 HydrophobicContact CE1-CG 4.24Å; F124-E128 HydrophobicContact CZ-CG 4.2Å; F124-E128 WeakPolarHBondContact O-CG 3.32Å; F124-E128 PolarHBondContact O-N 3.49Å; I125-E128 PolarHBondContact O-N 2.62Å; K126-E128 VanDerWaalsContact C-N 3.34Å; K126-E128 PolarHBondContact O-N 3.35Å; E128-K131 WeakPolarHBondContact OE1-CD 3.48Å; E128-K131 IonicContact OE1-NZ 2.74Å; E128-K131 PolarHBondContact OE1-NZ 2.78Å; E128-A132 WeakPolarHBondContact O-CB 3.31Å; E128-A132 PolarHBondContact O-N 2.83Å; E128-A132 VanDerWaalsContact O-N 3.08Å
129L90.9Very high78.5Confident0 Ų075.9 Ų75.90%042%0.418CS..Hα-helixtrans-69.3-33.4172.8-71.4171.8000112.8F64 K75 A77 A109 K110 F112 I125 K126 N127 G133F64-L129 HydrophobicContact CB-CD1 4Å; F64-L129 HydrophobicContact CD2-CD1 3.34Å; F64-L129 HydrophobicContact CE2-CD1 3.98Å; F64-L129 HydrophobicContact CG-CD1 3.82Å; K75-L129 HydrophobicContact CB-CD1 4.35Å; K75-L129 HydrophobicContact CD-CB 4.1Å; K75-L129 PolarHBondContact NZ-O 2.78Å; A77-L129 HydrophobicContact CB-CD1 4.32Å; A77-L129 HydrophobicContact CB-CD2 4.27Å; A109-L129 HydrophobicContact CB-CD2 3.87Å; K110-L129 HydrophobicContact CB-CD2 3.91Å; F112-L129 HydrophobicContact CE2-CD2 4.36Å; F112-L129 HydrophobicContact CZ-CG 4.48Å; I125-L129 HydrophobicContact CG2-CD1 4.01Å; I125-L129 HydrophobicContact CG2-CG 4.38Å; I125-L129 WeakPolarHBondContact O-CB 3.43Å; I125-L129 VanDerWaalsContact O-CG 3.31Å; I125-L129 WeakPolarHBondContact O-CG 3.42Å; I125-L129 PolarHBondContact O-N 3.45Å; K126-L129 PolarHBondContact O-N 3.1Å; N127-L129 VanDerWaalsContact C-N 3.35Å; N127-L129 PolarHBondContact O-N 3.41Å; L129-G133 PolarHBondContact O-N 3.23Å
130K86.7Confident76.3Confident87 Ų8780.5 Ų80.538%0.37844%0.439SS..Hα-helixtrans-62.2-51.3173.8-170.3-177.7177.5-1690109.7K126 N127 A132 G133 D138K126-K130 PolarHBondContact O-N 3.27Å; N127-K130 WeakPolarHBondContact O-CB 3.47Å; N127-K130 PolarHBondContact O-N 3.1Å; K130-A132 PolarHBondContact O-N 3.22Å; K130-G133 PolarHBondContact O-N 2.87Å; K130-G133 VanDerWaalsContact O-N 3.1Å; K130-D138 IonicContact NZ-OD2 3.85Å
131K86.2Confident73.7Confident130 Ų13087.1 Ų87.157%0.56548%0.48SS*.Hα-helixtrans-56.7-45.5176.9-66.6173.3-169.6169.40112.4N127 E128 G133 G134N127-K131 WeakPolarHBondContact O-CG 3.46Å; N127-K131 PolarHBondContact O-N 3.09Å; N127-K131 VanDerWaalsContact O-N 3.09Å; E128-K131 WeakPolarHBondContact OE1-CD 3.48Å; E128-K131 IonicContact OE1-NZ 2.74Å; E128-K131 PolarHBondContact OE1-NZ 2.78Å; K131-G133 PolarHBondContact O-N 3.46Å; K131-G134 PolarHBondContact O-N 3.16Å
132A81.2Confident70.9Confident55 Ų5594.3 Ų94.346%0.45551%0.514SS..Hα-helixtrans-65.5-23.7179.500000113.9K110 E128 K130K110-A132 HydrophobicContact CB-CB 4.37Å; K110-A132 HydrophobicContact CD-CB 4.17Å; E128-A132 WeakPolarHBondContact O-CB 3.31Å; E128-A132 PolarHBondContact O-N 2.83Å; E128-A132 VanDerWaalsContact O-N 3.08Å; K130-A132 PolarHBondContact O-N 3.22Å
133G70.9Confident69.8Low42 Ų4295.8 Ų95.843%0.43352%0.524SS..THydrogen-bonded Turntrans-885.1-178.500000115.4L129 K130 K131 A135L129-G133 PolarHBondContact O-N 3.23Å; K130-G133 PolarHBondContact O-N 2.87Å; K130-G133 VanDerWaalsContact O-N 3.1Å; K131-G133 PolarHBondContact O-N 3.46Å; G133-A135 PolarHBondContact O-N 2.91Å
134G57.7Low68.6Low73 Ų7395 Ų9575%0.75352%0.521SS*.THydrogen-bonded Turntrans67.1-5.1173.300000116.6K131 N136K131-G134 PolarHBondContact O-N 3.16Å; G134-N136 PolarHBondContact O-N 3.15Å
135A51.7Low67.2Low39 Ų3995.9 Ų95.932%0.32253%0.531SS..  trans-89.775.7178.100000110.6G133 Y137G133-A135 PolarHBondContact O-N 2.91Å; A135-Y137 VanDerWaalsContact C-N 3.31Å; A135-Y137 HydrophobicContact CB-CD2 3.95Å; A135-Y137 HydrophobicContact CB-CE2 3.73Å; A135-Y137 PolarHBondContact O-N 3.39Å; A135-Y137 VanDerWaalsContact O-N 3.16Å
136N45.3Very low65.6Low121 Ų121101.6 Ų101.665%0.64756%0.562SS**  trans-77.287.5159.9-89.9-0.5000108G134 D138G134-N136 PolarHBondContact O-N 3.15Å; N136-D138 PolarHBondContact O-N 3.21Å; N136-D138 VanDerWaalsContact O-N 3.15Å
137Y50.3Low63.9Low198 Ų198104.3 Ų104.378%0.77658%0.581SS**  trans-80.343.8159.2-65.1-80.1000110.6A135A135-Y137 VanDerWaalsContact C-N 3.31Å; A135-Y137 HydrophobicContact CB-CD2 3.95Å; A135-Y137 HydrophobicContact CB-CE2 3.73Å; A135-Y137 PolarHBondContact O-N 3.39Å; A135-Y137 VanDerWaalsContact O-N 3.16Å
138D46.6Very low62Low131 Ų131105.1 Ų105.170%0.70159%0.587SS**  trans-98.760.2159.7-96.2-86.6000106.4K130 N136K130-D138 IonicContact NZ-OD2 3.85Å; N136-D138 PolarHBondContact O-N 3.21Å; N136-D138 VanDerWaalsContact O-N 3.15Å
139A47.5Very low59.9Low84 Ų84110.2 Ų110.269%0.69462%0.618SS**  trans-98.1105.1160.200000106.1
140Q47.3Very low57.5Low176 Ų176118.7 Ų118.782%0.82267%0.666SS**  trans6596159.9-64.8179.5-25.900118.2
141T40.3Very low55.1Low139 Ų139121.3 Ų121.385%0.85369%0.689SS**  -144.3102.2121.440.70000103.3
142E36Very low52.2Low268 Ų268120.5 Ų120.5100%1.25270%0.701SS**  -140.4056.7-63.5173.69000113.5

Retrieved 142 of 142 residues in 45.4 ms (Link to these results)

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