A0A087XJC4_POEFO Loading...

StAR related lipid transfer domain containing 5

May be involved in the intracellular transport of sterols or other lipids. May bind cholesterol or other sterols.

AlphaFold DB , UniProt , Accession A0A087XJC4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 211 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M65.6Low93.6Very high148 Ų14863.5 Ų63.573%0.72931%0.309SS*.  01360-165.9179.5-58.200106.1Y3 V134M1-Y3 VanDerWaalsContact C-N 3.31Å; M1-Y3 HydrophobicContact CB-CD1 4.21Å; M1-Y3 HydrophobicContact CB-CE1 3.77Å; M1-Y3 HydrophobicContact CB-CE2 4.38Å; M1-Y3 HydrophobicContact CE-CE1 4.4Å; M1-Y3 HydrophobicContact CG-CD1 4.19Å; M1-Y3 HydrophobicContact CG-CE1 3.89Å; M1-Y3 PolarHBondContact O-N 3.23Å; M1-Y3 HydrophobicContact SD-CD1 4.06Å; M1-Y3 HydrophobicContact SD-CE1 3.43Å; M1-Y3 WeakPolarHBondContact SD-CE1 2.93Å; M1-V134 HydrophobicContact SD-CB 4.44Å; M1-V134 HydrophobicContact SD-CG1 4.36Å
2D90.4Very high94Very high103 Ų10366.2 Ų66.255%0.55133%0.326SS*.  trans-82.481.2179.9-170.8-9.6000110.2E4 H5 K6D2-E4 VanDerWaalsContact C-N 3.28Å; D2-E4 PolarHBondContact O-N 3.01Å; D2-E4 PolarHBondContact OD1-N 3Å; D2-H5 HydrophobicContact CB-CB 4.19Å; D2-H5 WeakPolarHBondContact OD1-CB 3.05Å; D2-H5 PolarHBondContact OD1-N 2.91Å; D2-H5 WeakPolarHBondContact OD2-CB 3.32Å; D2-K6 WeakPolarHBondContact O-CB 3.44Å; D2-K6 PolarHBondContact O-N 3.26Å
3Y96.2Very high94.3Very high33 Ų3363.5 Ų63.513%0.12932%0.317CS..Hα-helixtrans-64.1-34.7179.9-64.7-50.8000112.1M1 K6 A7 I89 I95 V134 S135M1-Y3 VanDerWaalsContact C-N 3.31Å; M1-Y3 HydrophobicContact CB-CD1 4.21Å; M1-Y3 HydrophobicContact CB-CE1 3.77Å; M1-Y3 HydrophobicContact CB-CE2 4.38Å; M1-Y3 HydrophobicContact CE-CE1 4.4Å; M1-Y3 HydrophobicContact CG-CD1 4.19Å; M1-Y3 HydrophobicContact CG-CE1 3.89Å; M1-Y3 PolarHBondContact O-N 3.23Å; M1-Y3 HydrophobicContact SD-CD1 4.06Å; M1-Y3 HydrophobicContact SD-CE1 3.43Å; M1-Y3 WeakPolarHBondContact SD-CE1 2.93Å; Y3-K6 PolarHBondContact O-N 2.86Å; Y3-A7 WeakPolarHBondContact O-CB 3.15Å; Y3-A7 PolarHBondContact O-N 3.44Å; Y3-I89 HydrophobicContact CD2-CD1 3.82Å; Y3-I89 HydrophobicContact CD2-CG1 4.41Å; Y3-I89 HydrophobicContact CE2-CD1 4.35Å; Y3-I95 HydrophobicContact CD1-CD1 4.12Å; Y3-I95 HydrophobicContact CD2-CD1 3.8Å; Y3-I95 HydrophobicContact CE1-CD1 3.89Å; Y3-I95 HydrophobicContact CE2-CD1 3.53Å; Y3-I95 HydrophobicContact CG-CD1 4.08Å; Y3-V134 HydrophobicContact CD1-CB 4.43Å; Y3-V134 HydrophobicContact CD1-CG1 3.92Å; Y3-V134 HydrophobicContact CE1-CB 3.93Å; Y3-V134 HydrophobicContact CE1-CG1 3.9Å; Y3-V134 HydrophobicContact CE1-CG2 4.22Å; Y3-S135 PolarHBondContact OH-O 3.46Å
4E96Very high94.6Very high54 Ų5459 Ų5925%0.25230%0.295SS..Hα-helixtrans-67.1-49.5-179.4-62.7-172.2-149.400112.1D2 K6 A7 K8 I89 K90 I93D2-E4 VanDerWaalsContact C-N 3.28Å; D2-E4 PolarHBondContact O-N 3.01Å; D2-E4 PolarHBondContact OD1-N 3Å; E4-K6 VanDerWaalsContact C-N 3.28Å; E4-K6 PolarHBondContact O-N 3.46Å; E4-A7 PolarHBondContact O-N 2.67Å; E4-K8 WeakPolarHBondContact O-CB 3.41Å; E4-K8 VanDerWaalsContact O-CG 3.3Å; E4-K8 WeakPolarHBondContact O-CG 3.23Å; E4-K8 PolarHBondContact O-N 3.16Å; E4-K8 IonicContact OE2-NZ 3.06Å; E4-I89 HydrophobicContact CG-CG2 4.3Å; E4-K90 HydrophobicContact CG-CD 4.46Å; E4-K90 WeakPolarHBondContact OE1-CE 3.42Å; E4-K90 IonicContact OE1-NZ 2.67Å; E4-K90 PolarHBondContact OE1-NZ 2.73Å; E4-K90 WeakPolarHBondContact OE2-CE 3.46Å; E4-K90 IonicContact OE2-NZ 3.93Å; E4-K90 PolarHBondContact OE2-NZ 2.86Å; E4-I93 HydrophobicContact CB-CD1 4.16Å; E4-I93 HydrophobicContact CG-CD1 3.98Å
5H96.5Very high94.8Very high114 Ų11456.4 Ų56.453%0.52828%0.282SS..Hα-helixtrans-59.4-45.1176.8177.770.9000110.5D2 A7 K8 V9D2-H5 HydrophobicContact CB-CB 4.19Å; D2-H5 WeakPolarHBondContact OD1-CB 3.05Å; D2-H5 PolarHBondContact OD1-N 2.91Å; D2-H5 WeakPolarHBondContact OD2-CB 3.32Å; H5-A7 PolarHBondContact O-N 2.87Å; H5-K8 PolarHBondContact O-N 3.03Å; H5-V9 WeakPolarHBondContact O-CG2 3.41Å; H5-V9 PolarHBondContact O-N 2.8Å
6K96.4Very high94.9Very high69 Ų6956.9 Ų56.930%0.329%0.292SS..Hα-helixtrans-59-47.3179.3-160.3-178.5-173.9-175.60111.9D2 Y3 E4 K8 V9 V10 V116 T132 N133 V134D2-K6 WeakPolarHBondContact O-CB 3.44Å; D2-K6 PolarHBondContact O-N 3.26Å; Y3-K6 PolarHBondContact O-N 2.86Å; E4-K6 VanDerWaalsContact C-N 3.28Å; E4-K6 PolarHBondContact O-N 3.46Å; K6-K8 PolarHBondContact O-N 2.96Å; K6-V9 PolarHBondContact O-N 3.35Å; K6-V10 WeakPolarHBondContact O-CG2 3.5Å; K6-V10 PolarHBondContact O-N 2.75Å; K6-V116 HydrophobicContact CD-CG1 4.45Å; K6-T132 HydrophobicContact CD-CG2 3.74Å; K6-T132 HydrophobicContact CG-CG2 3.75Å; K6-N133 PolarHBondContact NZ-O 3.26Å; K6-V134 HydrophobicContact CD-CG1 4.09Å
7A96.8Very high95.1Very high0 Ų054.3 Ų54.30%028%0.278CS..Hα-helixtrans-68-35.3-179.500000112.8Y3 E4 H5 V10 A11 I93 V116 L118Y3-A7 WeakPolarHBondContact O-CB 3.15Å; Y3-A7 PolarHBondContact O-N 3.44Å; E4-A7 PolarHBondContact O-N 2.67Å; H5-A7 PolarHBondContact O-N 2.87Å; A7-V10 PolarHBondContact O-N 2.96Å; A7-A11 PolarHBondContact O-N 3.45Å; A7-A11 VanDerWaalsContact O-N 3.15Å; A7-I93 HydrophobicContact CB-CG2 4.47Å; A7-V116 HydrophobicContact CB-CG1 4.31Å; A7-V116 HydrophobicContact CB-CG2 3.98Å; A7-L118 HydrophobicContact CB-CB 3.63Å
8K97.3Very high95.1Very high97 Ų9754.6 Ų54.642%0.42228%0.275SS..Hα-helixtrans-65.1-43.4174.1-73.7169.1-178.1166.40112.3E4 H5 K6 V10 A11 D12 L118E4-K8 WeakPolarHBondContact O-CB 3.41Å; E4-K8 VanDerWaalsContact O-CG 3.3Å; E4-K8 WeakPolarHBondContact O-CG 3.23Å; E4-K8 PolarHBondContact O-N 3.16Å; E4-K8 IonicContact OE2-NZ 3.06Å; H5-K8 PolarHBondContact O-N 3.03Å; K6-K8 PolarHBondContact O-N 2.96Å; K8-V10 VanDerWaalsContact C-N 3.25Å; K8-V10 PolarHBondContact O-N 3.01Å; K8-A11 WeakPolarHBondContact O-CB 3.34Å; K8-A11 PolarHBondContact O-N 3.11Å; K8-A11 VanDerWaalsContact O-N 3.09Å; K8-D12 PolarHBondContact O-N 2.94Å; K8-D12 VanDerWaalsContact O-N 3.14Å; K8-L118 HydrophobicContact CG-CD2 4.14Å
9V97.8Very high95.1Very high74 Ų7461.8 Ų61.845%0.44830%0.299SS..Hα-helixtrans-59.3-38.6175.3168.70000111.2H5 K6 D12 C13H5-V9 WeakPolarHBondContact O-CG2 3.41Å; H5-V9 PolarHBondContact O-N 2.8Å; K6-V9 PolarHBondContact O-N 3.35Å; V9-D12 PolarHBondContact O-N 3.38Å; V9-C13 WeakPolarHBondContact O-CB 3.13Å; V9-C13 PolarHBondContact O-N 3.28Å
10V98.2Very high95.1Very high7 Ų760.9 Ų60.94%0.04230%0.296CS..Hα-helixtrans-63.5-43.3174.8178.80000111.3K6 A7 K8 D12 C13 L14 N130 A131 T132 A152K6-V10 WeakPolarHBondContact O-CG2 3.5Å; K6-V10 PolarHBondContact O-N 2.75Å; A7-V10 PolarHBondContact O-N 2.96Å; K8-V10 VanDerWaalsContact C-N 3.25Å; K8-V10 PolarHBondContact O-N 3.01Å; V10-D12 VanDerWaalsContact C-N 3.29Å; V10-D12 PolarHBondContact O-N 2.96Å; V10-C13 WeakPolarHBondContact O-CB 3.41Å; V10-C13 PolarHBondContact O-N 3.5Å; V10-C13 VanDerWaalsContact O-N 3.16Å; V10-L14 HydrophobicContact CG1-CD2 3.7Å; V10-L14 HydrophobicContact CG1-CG 4.2Å; V10-L14 WeakPolarHBondContact O-CB 3.48Å; V10-L14 VanDerWaalsContact O-CD2 3.32Å; V10-L14 WeakPolarHBondContact O-CD2 3.14Å; V10-L14 PolarHBondContact O-N 3.07Å; V10-N130 HydrophobicContact CB-CB 4.35Å; V10-N130 HydrophobicContact CG1-CB 3.93Å; V10-A131 WeakPolarHBondContact CG1-O 3.45Å; V10-T132 HydrophobicContact CG2-CG2 3.47Å; V10-T132 VanDerWaalsContact CG2-CG2 3.47Å; V10-A152 HydrophobicContact CG1-CB 4.07Å; V10-A152 HydrophobicContact CG2-CB 4.48Å
11A98.4Very high94.9Very high0 Ų066.5 Ų66.50%032%0.321CS..Hα-helixtrans-58.8-42.2177.800000112.3A7 K8 L14 L15 L118 K120 N130A7-A11 PolarHBondContact O-N 3.45Å; A7-A11 VanDerWaalsContact O-N 3.15Å; K8-A11 WeakPolarHBondContact O-CB 3.34Å; K8-A11 PolarHBondContact O-N 3.11Å; K8-A11 VanDerWaalsContact O-N 3.09Å; A11-L14 PolarHBondContact O-N 3.36Å; A11-L15 WeakPolarHBondContact O-CG 3.46Å; A11-L15 PolarHBondContact O-N 3.14Å; A11-L15 VanDerWaalsContact O-N 3.09Å; A11-L118 HydrophobicContact CB-CD2 4Å; A11-K120 HydrophobicContact CB-CD 4.1Å; A11-N130 WeakPolarHBondContact CA-OD1 3.34Å; A11-N130 HydrophobicContact CB-CB 4.07Å
12D97.9Very high96.3Very high95 Ų9562.9 Ų62.951%0.50831%0.311SS..Hα-helixtrans-66.6-39.1176.4-63.1-24.4000111.8K8 V9 V10 L15 S16K8-D12 PolarHBondContact O-N 2.94Å; K8-D12 VanDerWaalsContact O-N 3.14Å; V9-D12 PolarHBondContact O-N 3.38Å; V10-D12 VanDerWaalsContact C-N 3.29Å; V10-D12 PolarHBondContact O-N 2.96Å; D12-L15 PolarHBondContact O-N 3.4Å; D12-S16 PolarHBondContact O-N 3.09Å
13C98.2Very high96.5Very high32 Ų3260.6 Ų60.622%0.21631%0.311CS..Hα-helixtrans-61.7-45.3175.3-174.50000112.2V9 V10 L15 S16 Y17 A152V9-C13 WeakPolarHBondContact O-CB 3.13Å; V9-C13 PolarHBondContact O-N 3.28Å; V10-C13 WeakPolarHBondContact O-CB 3.41Å; V10-C13 PolarHBondContact O-N 3.5Å; V10-C13 VanDerWaalsContact O-N 3.16Å; C13-L15 PolarHBondContact O-N 2.99Å; C13-S16 CarbonylContact O-C 3.58Å; C13-S16 WeakPolarHBondContact O-CA 3.3Å; C13-S16 VanDerWaalsContact O-CB 3.27Å; C13-S16 WeakPolarHBondContact O-CB 3.46Å; C13-S16 PolarHBondContact O-N 3.15Å; C13-S16 VanDerWaalsContact O-N 3.07Å; C13-Y17 PolarHBondContact O-N 3.42Å; C13-A152 HydrophobicContact CB-CB 4.27Å
14L98.3Very high96.6Very high0 Ų060.8 Ų60.80%031%0.312CS..Hα-helixtrans-65.5-39.7180-81.5-91.9000111.4V10 A11 S16 Y17 R18 A152 F172V10-L14 HydrophobicContact CG1-CD2 3.7Å; V10-L14 HydrophobicContact CG1-CG 4.2Å; V10-L14 WeakPolarHBondContact O-CB 3.48Å; V10-L14 VanDerWaalsContact O-CD2 3.32Å; V10-L14 WeakPolarHBondContact O-CD2 3.14Å; V10-L14 PolarHBondContact O-N 3.07Å; A11-L14 PolarHBondContact O-N 3.36Å; L14-S16 VanDerWaalsContact C-N 3.32Å; L14-Y17 HydrophobicContact CD2-CD2 4.46Å; L14-Y17 PolarHBondContact O-N 3.35Å; L14-R18 PolarHBondContact O-N 3.44Å; L14-A152 HydrophobicContact CD2-CB 3.79Å; L14-F172 HydrophobicContact CD1-CB 3.74Å; L14-F172 HydrophobicContact CD1-CD2 3.21Å; L14-F172 HydrophobicContact CD1-CE2 3.96Å; L14-F172 HydrophobicContact CD1-CG 3.67Å
15L97.7Very high96.7Very high20 Ų2064.2 Ų64.211%0.10533%0.326CS..Hα-helixtrans-62.3-39.6170.1-73-179.7000112.1A11 D12 C13 R18 R19 Y122 I156A11-L15 WeakPolarHBondContact O-CG 3.46Å; A11-L15 PolarHBondContact O-N 3.14Å; A11-L15 VanDerWaalsContact O-N 3.09Å; D12-L15 PolarHBondContact O-N 3.4Å; C13-L15 PolarHBondContact O-N 2.99Å; L15-R18 PolarHBondContact O-N 3.36Å; L15-R19 WeakPolarHBondContact O-CG 3.38Å; L15-R19 PolarHBondContact O-N 3.38Å; L15-R19 VanDerWaalsContact O-N 3.11Å; L15-Y122 HydrophobicContact CD1-CD1 4.41Å; L15-Y122 HydrophobicContact CD1-CE1 3.65Å; L15-Y122 HydrophobicContact CD2-CE1 4.17Å; L15-Y122 HydrophobicContact CD2-CE2 4.48Å; L15-Y122 HydrophobicContact CG-CE1 4.21Å; L15-I156 HydrophobicContact CD2-CD1 4.5Å
16S97.2Very high96.8Very high64 Ų6463.4 Ų63.445%0.44833%0.329SS..Hα-helixtrans-62.4-45.1174-169.90000111.2D12 C13 L14 R18 R19 D20D12-S16 PolarHBondContact O-N 3.09Å; C13-S16 CarbonylContact O-C 3.58Å; C13-S16 WeakPolarHBondContact O-CA 3.3Å; C13-S16 VanDerWaalsContact O-CB 3.27Å; C13-S16 WeakPolarHBondContact O-CB 3.46Å; C13-S16 PolarHBondContact O-N 3.15Å; C13-S16 VanDerWaalsContact O-N 3.07Å; L14-S16 VanDerWaalsContact C-N 3.32Å; S16-R18 VanDerWaalsContact C-N 3.28Å; S16-R18 PolarHBondContact O-N 3.41Å; S16-R19 PolarHBondContact O-N 2.9Å; S16-D20 WeakPolarHBondContact O-CB 3.44Å; S16-D20 PolarHBondContact O-N 2.95Å
17Y97.6Very high96.8Very high13 Ų1362.7 Ų62.75%0.05133%0.332CS..Hα-helixtrans-63.4-33.2177.7-68.3-9.9000113C13 L14 W24 V47 F172 Q174C13-Y17 PolarHBondContact O-N 3.42Å; L14-Y17 HydrophobicContact CD2-CD2 4.46Å; L14-Y17 PolarHBondContact O-N 3.35Å; Y17-W24 HydrophobicContact CG-CZ2 4.34Å; Y17-V47 HydrophobicContact CD2-CG2 4.2Å; Y17-V47 HydrophobicContact CE2-CG2 3.93Å; Y17-F172 AromaticContact CD2-CD1 3.93Å; Y17-F172 HydrophobicContact CD2-CD1 3.93Å; Y17-F172 HydrophobicContact CD2-CE1 4.41Å; Y17-F172 HydrophobicContact CD2-CG 4.42Å; Y17-F172 HydrophobicContact CG-CD1 4.32Å; Y17-F172 HydrophobicContact CG-CE1 4.36Å; Y17-Q174 PolarHBondContact OH-OE1 3.09Å
18R95.4Very high96.8Very high60 Ų6067.7 Ų67.723%0.22635%0.351CS..Hα-helixtrans-66.2-40.5173.9178.5-179.4168.6-168-3.6112.3L14 L15 S16 D124 S126 I156 I158 F172L14-R18 PolarHBondContact O-N 3.44Å; L15-R18 PolarHBondContact O-N 3.36Å; S16-R18 VanDerWaalsContact C-N 3.28Å; S16-R18 PolarHBondContact O-N 3.41Å; R18-D124 IonicContact NH1-OD2 3Å; R18-S126 PolarHBondContact NH1-OG 3.37Å; R18-I156 HydrophobicContact CB-CD1 4.23Å; R18-I158 VanDerWaalsContact CZ-CG1 3.49Å; R18-I158 VanDerWaalsContact NE-CD1 3.28Å; R18-F172 HydrophobicContact CB-CZ 4.09Å
19R95.3Very high96.8Very high191 Ų19170.8 Ų70.872%0.72136%0.364SS*.Hα-helixtrans-85.4-28.8-175.5-67.3171.6-176.3173.21.6113.5L15 S16 E21L15-R19 WeakPolarHBondContact O-CG 3.38Å; L15-R19 PolarHBondContact O-N 3.38Å; L15-R19 VanDerWaalsContact O-N 3.11Å; S16-R19 PolarHBondContact O-N 2.9Å; R19-E21 PolarHBondContact O-N 2.97Å
20D94.2Very high96.7Very high44 Ų4469 Ų6924%0.23536%0.355CS..  trans-80.5115.1-175.8-177.68.2000110.8S16 S22 W24 R38S16-D20 WeakPolarHBondContact O-CB 3.44Å; S16-D20 PolarHBondContact O-N 2.95Å; D20-S22 WeakPolarHBondContact OD1-CA 3.36Å; D20-S22 VanDerWaalsContact OD1-CB 3.24Å; D20-S22 WeakPolarHBondContact OD1-CB 3.14Å; D20-S22 PolarHBondContact OD1-N 3.17Å; D20-S22 PolarHBondContact OD1-OG 3.49Å; D20-S22 PolarHBondContact OD2-OG 2.83Å; D20-W24 PolarHBondContact O-NE1 3.02Å; D20-R38 IonicContact OD2-CZ 3.67Å; D20-R38 IonicContact OD2-NH1 3.48Å; D20-R38 PolarHBondContact OD2-NH1 2.8Å; D20-R38 IonicContact OD2-NH2 3.62Å; D20-R38 PolarHBondContact OD2-NH2 2.9Å
21E91.8Very high96.4Very high178 Ų17876.8 Ų76.883%0.83240%0.396SS*.  trans-88.9-6.6176.7-61.6-175166.400112.7R19R19-E21 PolarHBondContact O-N 2.97Å
22S94.3Very high96.3Very high73 Ų7379.7 Ų79.751%0.5141%0.412SS..THydrogen-bonded Turntrans-81.5139.5-171.775.90000113.8D20 W24 R38D20-S22 WeakPolarHBondContact OD1-CA 3.36Å; D20-S22 VanDerWaalsContact OD1-CB 3.24Å; D20-S22 WeakPolarHBondContact OD1-CB 3.14Å; D20-S22 PolarHBondContact OD1-N 3.17Å; D20-S22 PolarHBondContact OD1-OG 3.49Å; D20-S22 PolarHBondContact OD2-OG 2.83Å; S22-W24 PolarHBondContact O-N 2.95Å; S22-W24 VanDerWaalsContact O-N 3.12Å; S22-R38 PolarHBondContact O-NH1 2.66Å; S22-R38 VanDerWaalsContact O-NH1 3.12Å
23G95.1Very high96.3Very high55 Ų5575.3 Ų75.357%0.56739%0.389SS*.THydrogen-bonded Turntrans75.3-6.2171.500000116.1R38G23-R38 WeakPolarHBondContact O-CB 3.47Å
24W97.9Very high96.3Very high36 Ų3676 Ų7614%0.13639%0.392CS..  trans-71.7127176.6-63.8104.7000111.7Y17 D20 S22 R38 V47 K49Y17-W24 HydrophobicContact CG-CZ2 4.34Å; D20-W24 PolarHBondContact O-NE1 3.02Å; S22-W24 PolarHBondContact O-N 2.95Å; S22-W24 VanDerWaalsContact O-N 3.12Å; W24-R38 HydrophobicContact CD2-CG 4.2Å; W24-R38 HydrophobicContact CE3-CB 4.25Å; W24-R38 HydrophobicContact CE3-CG 3.91Å; W24-R38 HydrophobicContact CH2-CG 4.06Å; W24-R38 HydrophobicContact CZ2-CG 4.34Å; W24-R38 HydrophobicContact CZ3-CG 3.83Å; W24-V47 HydrophobicContact CH2-CB 4.41Å; W24-V47 HydrophobicContact CH2-CG1 3.63Å; W24-V47 HydrophobicContact CH2-CG2 3.93Å; W24-V47 HydrophobicContact CZ3-CG1 3.85Å; W24-V47 HydrophobicContact CZ3-CG2 4.36Å; W24-K49 HydrophobicContact CD2-CB 4.45Å; W24-K49 HydrophobicContact CD2-CD 4.45Å; W24-K49 HydrophobicContact CE3-CB 3.83Å; W24-K49 HydrophobicContact CH2-CB 3.7Å; W24-K49 HydrophobicContact CH2-CD 4.45Å; W24-K49 HydrophobicContact CZ2-CB 4.31Å; W24-K49 HydrophobicContact CZ2-CD 4.22Å; W24-K49 HydrophobicContact CZ3-CB 3.42Å; W24-K49 VanDerWaalsContact CZ3-CB 3.42Å
25K98.1Very high96.3Very high126 Ų12676 Ų7655%0.54839%0.392SS..EExtended strand (participates in β ladder)trans-112.2121.6175.5-63.8179.3-176.8178.10109.4C27 S36 W37K25-C27 PolarHBondContact O-N 3Å; K25-S36 CarbonylContact O-C 3.53Å; K25-S36 WeakPolarHBondContact O-CA 3.45Å; K25-W37 HydrophobicContact CD-CZ2 4.03Å; K25-W37 PolarHBondContact N-O 3.41Å; K25-W37 PolarHBondContact O-N 3.35Å
26V98.3Very high96.4Very high98 Ų9875.3 Ų75.359%0.59439%0.389SS*.EExtended strand (participates in β ladder)trans-63.8126.5174.3179.50000109.1V34V26-V34 HydrophobicContact CG1-CG1 4.12Å; V26-V34 HydrophobicContact CG2-CG1 4.15Å
27C97.4Very high96.4Very high53 Ų5375.5 Ų75.536%0.35838%0.38SS..EExtended strand (participates in β ladder)trans-116.6-20.517756.70000113.4K25 V35K25-C27 PolarHBondContact O-N 3Å; C27-V35 PolarHBondContact N-O 3.12Å; C27-V35 PolarHBondContact SG-O 2.77Å
28R96.9Very high96.4Very high105 Ų10576.6 Ų76.640%0.39638%0.384SS..EExtended strand (participates in β ladder)trans-152.5147.1174.5-175.1167.5-80-165.72.8110.8V35 P191 S192 T195R28-V35 HydrophobicContact CB-CB 4.2Å; R28-V35 PolarHBondContact N-O 3.49Å; R28-V35 PolarHBondContact O-N 2.79Å; R28-P191 HydrophobicContact CB-CB 4.18Å; R28-S192 PolarHBondContact NH1-OG 2.98Å; R28-S192 PolarHBondContact NH2-OG 3.45Å; R28-T195 WeakPolarHBondContact CD-OG1 3.42Å
29K97.1Very high96.5Very high163 Ų16378.2 Ų78.271%0.70940%0.402SS*.EExtended strand (participates in β ladder)trans-137134.4172.4-175.9170.8-176.31800108.8V34K29-V34 HydrophobicContact CD-CG2 4.3Å; K29-V34 HydrophobicContact CG-CG2 4.16Å
30S95.2Very high96.6Very high37 Ų3770 Ų7026%0.25937%0.373SS..  trans-127.3-173169.675.30000109.5D32 V33S30-D32 VanDerWaalsContact C-N 3.25Å; S30-D32 PolarHBondContact OG-N 2.9Å; S30-V33 PolarHBondContact N-O 2.85Å; S30-V33 PolarHBondContact OG-N 3.23Å
31N93.1Very high96.7Very high169 Ų16972.7 Ų72.790%0.90440%0.396SS*.SBendtrans-68.1-28.2172.6-66.6-16000112.3
32D95.1Very high96.8Very high62 Ų6269.3 Ų69.333%0.33238%0.38SS..SBendtrans-96.6-27-172-55.7-45.6000112.8S30 G52S30-D32 VanDerWaalsContact C-N 3.25Å; S30-D32 PolarHBondContact OG-N 2.9Å; D32-G52 VanDerWaalsContact O-CA 3.27Å; D32-G52 WeakPolarHBondContact O-CA 3.13Å
33V98.4Very high96.9Very high3 Ų367.5 Ų67.52%0.01836%0.363CS..  trans-152.1146-171.264.20000113.7S30 V35 E51 T195 Y198S30-V33 PolarHBondContact N-O 2.85Å; S30-V33 PolarHBondContact OG-N 3.23Å; V33-V35 HydrophobicContact CG1-CG2 4.05Å; V33-V35 HydrophobicContact CG2-CG2 4Å; V33-E51 WeakPolarHBondContact CA-O 3.25Å; V33-T195 HydrophobicContact CG1-CG2 4.43Å; V33-Y198 HydrophobicContact CB-CD1 3.92Å; V33-Y198 HydrophobicContact CB-CD2 3.7Å; V33-Y198 HydrophobicContact CB-CE1 4.38Å; V33-Y198 HydrophobicContact CB-CE2 4.21Å; V33-Y198 HydrophobicContact CB-CG 3.56Å; V33-Y198 HydrophobicContact CG1-CD2 4.07Å; V33-Y198 HydrophobicContact CG1-CG 4.09Å; V33-Y198 HydrophobicContact CG2-CD1 4.08Å; V33-Y198 HydrophobicContact CG2-CD2 3.42Å; V33-Y198 VanDerWaalsContact CG2-CD2 3.42Å; V33-Y198 HydrophobicContact CG2-CE1 4.09Å; V33-Y198 HydrophobicContact CG2-CE2 3.45Å; V33-Y198 VanDerWaalsContact CG2-CE2 3.45Å; V33-Y198 HydrophobicContact CG2-CG 3.77Å
34V98.6Very high96.8Very high47 Ų4771.2 Ų71.229%0.28538%0.377SS..EExtended strand (participates in β ladder)trans-101.2123.2159.8-1780000108.4V26 K29 G50 E51V26-V34 HydrophobicContact CG1-CG1 4.12Å; V26-V34 HydrophobicContact CG2-CG1 4.15Å; K29-V34 HydrophobicContact CD-CG2 4.3Å; K29-V34 HydrophobicContact CG-CG2 4.16Å; V34-G50 WeakPolarHBondContact O-CA 3.16Å; V34-E51 PolarHBondContact N-O 3.45Å; V34-E51 PolarHBondContact O-N 2.91Å
35V98.7Very high96.7Very high0 Ų070.3 Ų70.30%038%0.379CS..EExtended strand (participates in β ladder)trans-107.2125.9176.9-172.80000109.4C27 R28 V33 K49 M194C27-V35 PolarHBondContact N-O 3.12Å; C27-V35 PolarHBondContact SG-O 2.77Å; R28-V35 HydrophobicContact CB-CB 4.2Å; R28-V35 PolarHBondContact N-O 3.49Å; R28-V35 PolarHBondContact O-N 2.79Å; V33-V35 HydrophobicContact CG1-CG2 4.05Å; V33-V35 HydrophobicContact CG2-CG2 4Å; V35-K49 WeakPolarHBondContact CA-O 3.15Å; V35-M194 HydrophobicContact CB-SD 4.39Å; V35-M194 HydrophobicContact CG1-CB 4.38Å; V35-M194 HydrophobicContact CG1-CG 4.43Å; V35-M194 HydrophobicContact CG1-SD 3.61Å; V35-M194 HydrophobicContact CG2-CB 4.08Å; V35-M194 HydrophobicContact CG2-CG 4Å; V35-M194 HydrophobicContact CG2-SD 4.07Å
36S98.6Very high96.7Very high5 Ų564.7 Ų64.74%0.03536%0.355CS..EExtended strand (participates in β ladder)trans-124.5163.2175.161.50000110.8K25 Y48 K49K25-S36 CarbonylContact O-C 3.53Å; K25-S36 WeakPolarHBondContact O-CA 3.45Å; S36-Y48 CarbonylContact O-C 3.52Å; S36-Y48 WeakPolarHBondContact O-CA 3.44Å; S36-K49 PolarHBondContact N-O 3.43Å; S36-K49 PolarHBondContact O-N 2.67Å; S36-K49 WeakPolarHBondContact OG-CE 3.39Å; S36-K49 PolarHBondContact OG-O 2.94Å
37W98.4Very high96.7Very high67 Ų6760.1 Ų60.125%0.25433%0.327SS..EExtended strand (participates in β ladder)trans-143.4159.6176.570.8-79.6000111.5K25 P39 N46 V47 Y48K25-W37 HydrophobicContact CD-CZ2 4.03Å; K25-W37 PolarHBondContact N-O 3.41Å; K25-W37 PolarHBondContact O-N 3.35Å; W37-P39 HydrophobicContact CZ3-CG 4.23Å; W37-N46 HydrophobicContact CE3-CB 4.04Å; W37-N46 VanDerWaalsContact CE3-CG 3.46Å; W37-N46 VanDerWaalsContact CE3-OD1 3.26Å; W37-N46 VanDerWaalsContact CZ3-OD1 3.23Å; W37-N46 WeakPolarHBondContact CZ3-OD1 3.19Å; W37-V47 CarbonylContact C-O 3.55Å; W37-V47 WeakPolarHBondContact CA-O 3.24Å; W37-Y48 HydrophobicContact CB-CD1 3.65Å; W37-Y48 HydrophobicContact CB-CE1 3.77Å; W37-Y48 HydrophobicContact CB-CG 4.29Å; W37-Y48 HydrophobicContact CG-CE1 4.32Å
38R97.6Very high96.8Very high37 Ų3757.9 Ų57.914%0.1431%0.311CS..EExtended strand (participates in β ladder)trans-148160.7164.467.1-178.3-175.81772.9110.5D20 S22 G23 W24 S40 N46 V47D20-R38 IonicContact OD2-CZ 3.67Å; D20-R38 IonicContact OD2-NH1 3.48Å; D20-R38 PolarHBondContact OD2-NH1 2.8Å; D20-R38 IonicContact OD2-NH2 3.62Å; D20-R38 PolarHBondContact OD2-NH2 2.9Å; S22-R38 PolarHBondContact O-NH1 2.66Å; S22-R38 VanDerWaalsContact O-NH1 3.12Å; G23-R38 WeakPolarHBondContact O-CB 3.47Å; W24-R38 HydrophobicContact CD2-CG 4.2Å; W24-R38 HydrophobicContact CE3-CB 4.25Å; W24-R38 HydrophobicContact CE3-CG 3.91Å; W24-R38 HydrophobicContact CH2-CG 4.06Å; W24-R38 HydrophobicContact CZ2-CG 4.34Å; W24-R38 HydrophobicContact CZ3-CG 3.83Å; R38-S40 PolarHBondContact O-N 2.67Å; R38-N46 CarbonylContact O-C 3.6Å; R38-N46 VanDerWaalsContact O-CA 3.31Å; R38-N46 WeakPolarHBondContact O-CA 3.42Å; R38-N46 WeakPolarHBondContact O-CB 3.45Å; R38-V47 HydrophobicContact CG-CG1 3.43Å; R38-V47 VanDerWaalsContact CG-CG1 3.43Å; R38-V47 PolarHBondContact N-O 2.66Å; R38-V47 PolarHBondContact O-N 2.92Å
39P97.6Very high96.9Very high93 Ų9353.5 Ų53.560%0.60430%0.295SS*.EExtended strand (participates in β ladder)trans-55.3136.8174.8-25.335.4000111.7W37W37-P39 HydrophobicContact CZ3-CG 4.23Å
40S96.9Very high96.9Very high18 Ų1845.8 Ų45.813%0.12626%0.262CS..  trans-76140.6175.5172.10000110.4R38 E42 F43 G45 Q174R38-S40 PolarHBondContact O-N 2.67Å; S40-E42 VanDerWaalsContact C-N 3.33Å; S40-E42 PolarHBondContact OG-N 2.83Å; S40-F43 WeakPolarHBondContact CB-O 3.43Å; S40-F43 WeakPolarHBondContact OG-CD1 3.31Å; S40-F43 WeakPolarHBondContact OG-CE1 3.28Å; S40-F43 PolarHBondContact OG-N 3.46Å; S40-G45 WeakPolarHBondContact CB-O 3.47Å; S40-G45 PolarHBondContact N-O 2.82Å; S40-Q174 PolarHBondContact OG-NE2 3.32Å
41S94.9Very high97.1Very high102 Ų10246.6 Ų46.671%0.71326%0.262SS*.SBendtrans-82.8-12.9167.5540000113.2
42E95Very high97.4Very high107 Ų10739 Ų3950%0.522%0.223SC..SBendtrans-96.7-25-169-62.1-70.7139.800113.3S40 H151 Q174S40-E42 VanDerWaalsContact C-N 3.33Å; S40-E42 PolarHBondContact OG-N 2.83Å; E42-H151 HydrophobicContact CB-CB 3.82Å; E42-H151 VanDerWaalsContact CB-ND1 3.35Å; E42-H151 WeakPolarHBondContact CB-ND1 3.36Å; E42-H151 HydrophobicContact CG-CB 4Å; E42-H151 IonicContact OE2-ND1 3.35Å; E42-Q174 VanDerWaalsContact CG-NE2 3.3Å
43F95.9Very high97.5Very high34 Ų3440.9 Ų40.915%0.14923%0.232CC..SBendtrans-159166.1-179.879.8-69.5000111S40 G45 H151 Q174 D176S40-F43 WeakPolarHBondContact CB-O 3.43Å; S40-F43 WeakPolarHBondContact OG-CD1 3.31Å; S40-F43 WeakPolarHBondContact OG-CE1 3.28Å; S40-F43 PolarHBondContact OG-N 3.46Å; F43-G45 PolarHBondContact O-N 3.02Å; F43-H151 WeakPolarHBondContact CB-NE2 3.48Å; F43-H151 AromaticContact CD1-CD2 3.35Å; F43-H151 WeakPolarHBondContact CD1-CD2 3.31Å; F43-H151 AromaticContact CD1-NE2 3.62Å; F43-H151 AromaticContact CE1-CD2 3.93Å; F43-H151 AromaticContact CG-CD2 3.83Å; F43-H151 AromaticContact CG-NE2 3.59Å; F43-Q174 HydrophobicContact CD1-CG 4.47Å; F43-Q174 HydrophobicContact CE1-CG 3.92Å; F43-D176 HydrophobicContact CD2-CB 3.73Å; F43-D176 HydrophobicContact CE2-CB 3.83Å; F43-D176 HydrophobicContact CG-CB 4.35Å
44P94.2Very high97.5Very high133 Ų13340.9 Ų40.986%0.86423%0.232SC*.SBendtrans-69.647.3178.7-17.332.4000115.2
45G95.9Very high97.5Very high17 Ų1742.3 Ų42.318%0.17524%0.244CC..SBendtrans-142.9-147.4178.500000112S40 F43S40-G45 WeakPolarHBondContact CB-O 3.47Å; S40-G45 PolarHBondContact N-O 2.82Å; F43-G45 PolarHBondContact O-N 3.02Å
46N97.7Very high97.4Very high9 Ų942.3 Ų42.35%0.04824%0.244CC..EExtended strand (participates in β ladder)trans-125.7155.9-174.6-57.2-47.4000110.9W37 R38 Y48 D187W37-N46 HydrophobicContact CE3-CB 4.04Å; W37-N46 VanDerWaalsContact CE3-CG 3.46Å; W37-N46 VanDerWaalsContact CE3-OD1 3.26Å; W37-N46 VanDerWaalsContact CZ3-OD1 3.23Å; W37-N46 WeakPolarHBondContact CZ3-OD1 3.19Å; R38-N46 CarbonylContact O-C 3.6Å; R38-N46 VanDerWaalsContact O-CA 3.31Å; R38-N46 WeakPolarHBondContact O-CA 3.42Å; R38-N46 WeakPolarHBondContact O-CB 3.45Å; N46-Y48 HydrophobicContact CB-CD2 4.3Å; N46-Y48 HydrophobicContact CB-CE2 3.7Å; N46-Y48 PolarHBondContact ND2-OH 3.15Å; N46-D187 PolarHBondContact ND2-OD1 3.15Å
47V98.3Very high97.3Very high1 Ų144.1 Ų44.11%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-97.6132.3155.856.90000108.1Y17 W24 W37 R38 Q174Y17-V47 HydrophobicContact CD2-CG2 4.2Å; Y17-V47 HydrophobicContact CE2-CG2 3.93Å; W24-V47 HydrophobicContact CH2-CB 4.41Å; W24-V47 HydrophobicContact CH2-CG1 3.63Å; W24-V47 HydrophobicContact CH2-CG2 3.93Å; W24-V47 HydrophobicContact CZ3-CG1 3.85Å; W24-V47 HydrophobicContact CZ3-CG2 4.36Å; W37-V47 CarbonylContact C-O 3.55Å; W37-V47 WeakPolarHBondContact CA-O 3.24Å; R38-V47 HydrophobicContact CG-CG1 3.43Å; R38-V47 VanDerWaalsContact CG-CG1 3.43Å; R38-V47 PolarHBondContact N-O 2.66Å; R38-V47 PolarHBondContact O-N 2.92Å; V47-Q174 HydrophobicContact CB-CB 4.1Å; V47-Q174 HydrophobicContact CB-CG 3.84Å; V47-Q174 HydrophobicContact CG2-CB 4.02Å; V47-Q174 HydrophobicContact CG2-CG 4.27Å
48Y98.6Very high97.3Very high6 Ų641.7 Ų41.72%0.02425%0.248CC..EExtended strand (participates in β ladder)trans-105.2134.4173.4-63.7-94.1000108.9S36 W37 N46 F172 F173 F190 P191S36-Y48 CarbonylContact O-C 3.52Å; S36-Y48 WeakPolarHBondContact O-CA 3.44Å; W37-Y48 HydrophobicContact CB-CD1 3.65Å; W37-Y48 HydrophobicContact CB-CE1 3.77Å; W37-Y48 HydrophobicContact CB-CG 4.29Å; W37-Y48 HydrophobicContact CG-CE1 4.32Å; N46-Y48 HydrophobicContact CB-CD2 4.3Å; N46-Y48 HydrophobicContact CB-CE2 3.7Å; N46-Y48 PolarHBondContact ND2-OH 3.15Å; Y48-F172 CarbonylContact O-C 3.52Å; Y48-F172 VanDerWaalsContact O-CA 3.28Å; Y48-F172 WeakPolarHBondContact O-CA 3.39Å; Y48-F173 PolarHBondContact N-O 3.06Å; Y48-F173 PolarHBondContact O-N 2.76Å; Y48-F190 HydrophobicContact CD1-CB 4Å; Y48-F190 HydrophobicContact CD2-CB 3.58Å; Y48-F190 HydrophobicContact CD2-CD2 4.02Å; Y48-F190 AromaticContact CD2-CG 3.82Å; Y48-F190 HydrophobicContact CD2-CG 3.82Å; Y48-F190 HydrophobicContact CE1-CB 3.91Å; Y48-F190 HydrophobicContact CE2-CB 3.48Å; Y48-F190 VanDerWaalsContact CE2-CB 3.48Å; Y48-F190 AromaticContact CE2-CD2 3.4Å; Y48-F190 HydrophobicContact CE2-CD2 3.4Å; Y48-F190 VanDerWaalsContact CE2-CD2 3.4Å; Y48-F190 HydrophobicContact CE2-CE2 4.28Å; Y48-F190 AromaticContact CE2-CG 3.63Å; Y48-F190 HydrophobicContact CE2-CG 3.63Å; Y48-F190 HydrophobicContact CG-CB 3.86Å; Y48-F190 AromaticContact CZ-CD2 4Å; Y48-P191 HydrophobicContact CD1-CG 4.23Å; Y48-P191 HydrophobicContact CE1-CG 3.8Å
49K98.8Very high97.2Very high14 Ų1445.7 Ų45.76%0.06127%0.268CS..EExtended strand (participates in β ladder)trans-117.4122.5176.7175.4179.2691500109.2W24 V35 S36 E51 S171 F172W24-K49 HydrophobicContact CD2-CB 4.45Å; W24-K49 HydrophobicContact CD2-CD 4.45Å; W24-K49 HydrophobicContact CE3-CB 3.83Å; W24-K49 HydrophobicContact CH2-CB 3.7Å; W24-K49 HydrophobicContact CH2-CD 4.45Å; W24-K49 HydrophobicContact CZ2-CB 4.31Å; W24-K49 HydrophobicContact CZ2-CD 4.22Å; W24-K49 HydrophobicContact CZ3-CB 3.42Å; W24-K49 VanDerWaalsContact CZ3-CB 3.42Å; V35-K49 WeakPolarHBondContact CA-O 3.15Å; S36-K49 PolarHBondContact N-O 3.43Å; S36-K49 PolarHBondContact O-N 2.67Å; S36-K49 WeakPolarHBondContact OG-CE 3.39Å; S36-K49 PolarHBondContact OG-O 2.94Å; K49-E51 HydrophobicContact CD-CG 4.16Å; K49-E51 WeakPolarHBondContact CE-OE2 3.41Å; K49-E51 HydrophobicContact CG-CG 3.98Å; K49-E51 IonicContact NZ-OE1 2.76Å; K49-E51 IonicContact NZ-OE2 2.66Å; K49-E51 PolarHBondContact NZ-OE2 3.42Å; K49-S171 CarbonylContact C-O 3.54Å; K49-S171 WeakPolarHBondContact CA-O 3.38Å; K49-F172 HydrophobicContact CB-CD1 4.05Å; K49-F172 HydrophobicContact CB-CE1 4.08Å; K49-F172 HydrophobicContact CD-CD1 4.48Å; K49-F172 HydrophobicContact CD-CE1 3.65Å; K49-F172 HydrophobicContact CD-CZ 4.3Å; K49-F172 HydrophobicContact CG-CD1 4.04Å; K49-F172 HydrophobicContact CG-CE1 3.61Å; K49-F172 HydrophobicContact CG-CZ 4.34Å
50G98.6Very high97.3Very high0 Ų043.7 Ų43.70%025%0.252CS..EExtended strand (participates in β ladder)trans-103.3136.1171.100000109.6V34 S170 S171 M194 Y198V34-G50 WeakPolarHBondContact O-CA 3.16Å; G50-S170 CarbonylContact O-C 3.48Å; G50-S170 VanDerWaalsContact O-CA 3.29Å; G50-S170 WeakPolarHBondContact O-CA 3.23Å; G50-S171 PolarHBondContact N-O 2.61Å; G50-S171 PolarHBondContact O-N 3.34Å; G50-M194 WeakPolarHBondContact CA-SD 3.44Å; G50-M194 PolarHBondContact N-SD 2.85Å; G50-Y198 PolarHBondContact O-OH 3.33Å
51E98.6Very high97.3Very high55 Ų5542.8 Ų42.826%0.25725%0.246SC..EExtended strand (participates in β ladder)trans-135.6122.9175.8-63.3-179.399.600109.2V33 V34 K49V33-E51 WeakPolarHBondContact CA-O 3.25Å; V34-E51 PolarHBondContact N-O 3.45Å; V34-E51 PolarHBondContact O-N 2.91Å; K49-E51 HydrophobicContact CD-CG 4.16Å; K49-E51 WeakPolarHBondContact CE-OE2 3.41Å; K49-E51 HydrophobicContact CG-CG 3.98Å; K49-E51 IonicContact NZ-OE1 2.76Å; K49-E51 IonicContact NZ-OE2 2.66Å; K49-E51 PolarHBondContact NZ-OE2 3.42Å
52G98.5Very high97.5Very high10 Ų1039.4 Ų39.410%0.10322%0.218CC..EExtended strand (participates in β ladder)trans-156.1158.4-17600000112.2D32 V169D32-G52 VanDerWaalsContact O-CA 3.27Å; D32-G52 WeakPolarHBondContact O-CA 3.13Å; G52-V169 PolarHBondContact N-O 3Å; G52-V169 VanDerWaalsContact N-O 3.11Å; G52-V169 PolarHBondContact O-N 3.43Å
53I98.6Very high97.6Very high100 Ų10037.7 Ų37.751%0.51321%0.21SC..EExtended strand (participates in β ladder)trans-105.3122.5175.5-62.4175.1000108.2I160 K166I53-I160 HydrophobicContact CD1-CD1 4.21Å; I53-I160 HydrophobicContact CG1-CD1 4.19Å; I53-I160 HydrophobicContact CG2-CD1 3.91Å; I53-K166 HydrophobicContact CG2-CB 3.98Å; I53-K166 HydrophobicContact CG2-CD 4.02Å; I53-K166 HydrophobicContact CG2-CG 4.39Å
54V98.3Very high97.8Very high4 Ų436 Ų362%0.02420%0.203CC..EExtended strand (participates in β ladder)trans-102.4133.1177.4-177.40000109.2G56 V61 K166 T167 V169 L201 V205V54-G56 VanDerWaalsContact C-N 3.35Å; V54-G56 PolarHBondContact O-N 3.49Å; V54-V61 HydrophobicContact CB-CG2 4.14Å; V54-V61 HydrophobicContact CG1-CG2 3.88Å; V54-K166 WeakPolarHBondContact O-CA 3.49Å; V54-T167 PolarHBondContact N-O 2.86Å; V54-T167 PolarHBondContact O-N 3.45Å; V54-V169 HydrophobicContact CB-CG2 4.43Å; V54-V169 HydrophobicContact CG2-CB 4.46Å; V54-V169 HydrophobicContact CG2-CG2 3.83Å; V54-L201 HydrophobicContact CG2-CD2 3.92Å; V54-L201 HydrophobicContact CG2-CG 4.32Å; V54-V205 HydrophobicContact CG1-CB 4.1Å; V54-V205 HydrophobicContact CG1-CG1 4.15Å; V54-V205 HydrophobicContact CG1-CG2 4Å
55S97.7Very high98Very high76 Ų7629.8 Ų29.853%0.53116%0.162SC..SBendtrans-77.682.7176.7-66.60000110.8S165 K209S55-S165 CarbonylContact C-O 3.55Å; S55-K209 VanDerWaalsContact C-NZ 3.32Å; S55-K209 WeakPolarHBondContact O-CE 3.24Å; S55-K209 PolarHBondContact O-NZ 2.84Å
56G97.1Very high98Very high0 Ų031.2 Ų31.20%016%0.164CC..SBendtrans-166.6159175.300000110.8V54 S165 K166 T167V54-G56 VanDerWaalsContact C-N 3.35Å; V54-G56 PolarHBondContact O-N 3.49Å; G56-S165 CarbonylContact C-O 3.6Å; G56-S165 WeakPolarHBondContact CA-O 3.5Å; G56-S165 PolarHBondContact N-O 3.16Å; G56-S165 CarbonylContact O-C 3.58Å; G56-K166 CarbonylContact O-C 3.56Å; G56-K166 VanDerWaalsContact O-C 3.28Å; G56-K166 WeakPolarHBondContact O-CA 3.32Å; G56-K166 PolarHBondContact O-N 3.16Å; G56-T167 PolarHBondContact O-N 3.38Å; G56-T167 PolarHBondContact O-OG1 3.49Å
57T97.1Very high98Very high44 Ų4432 Ų3227%0.2717%0.169SC..  trans-65.715616976.20000109.4E59 N60 V61 P164 T167T57-E59 WeakPolarHBondContact CB-OE2 3.4Å; T57-E59 PolarHBondContact O-N 2.87Å; T57-E59 VanDerWaalsContact O-N 3.15Å; T57-E59 PolarHBondContact OG1-OE2 3.2Å; T57-N60 PolarHBondContact O-N 3.37Å; T57-N60 VanDerWaalsContact O-N 3.15Å; T57-N60 PolarHBondContact OG1-N 2.97Å; T57-V61 WeakPolarHBondContact O-CG2 3.12Å; T57-V61 PolarHBondContact O-N 2.97Å; T57-P164 WeakPolarHBondContact CA-O 3.48Å; T57-T167 VanDerWaalsContact C-OG1 3.23Å; T57-T167 PolarHBondContact O-OG1 3.11Å
58P97.3Very high97.8Very high16 Ų1634.4 Ų34.410%0.10418%0.182CC..Hα-helixtrans-53-36178.2-28.836.5000113W62 P159 T167P58-W62 WeakPolarHBondContact O-CB 3.27Å; P58-W62 PolarHBondContact O-N 3.49Å; P58-P159 HydrophobicContact CG-CB 3.92Å; P58-T167 VanDerWaalsContact CA-OG1 3.31Å; P58-T167 WeakPolarHBondContact CA-OG1 3.36Å; P58-T167 HydrophobicContact CB-CG2 4.47Å; P58-T167 VanDerWaalsContact N-OG1 3.08Å
59E96.7Very high97.6Very high120 Ų12036.1 Ų36.156%0.56119%0.194SC*.Hα-helixtrans-66.4-48.5179.4-56.671.2-151.800111.3T57 V61 W62 E63T57-E59 WeakPolarHBondContact CB-OE2 3.4Å; T57-E59 PolarHBondContact O-N 2.87Å; T57-E59 VanDerWaalsContact O-N 3.15Å; T57-E59 PolarHBondContact OG1-OE2 3.2Å; E59-V61 VanDerWaalsContact C-N 3.34Å; E59-V61 PolarHBondContact O-N 3.3Å; E59-W62 PolarHBondContact O-N 3.2Å; E59-E63 WeakPolarHBondContact O-CB 3.41Å; E59-E63 PolarHBondContact O-N 3.47Å
60N97.7Very high97.3Very high51 Ų5142.4 Ų42.427%0.27323%0.228SC..Hα-helixtrans-65.9-38.8179.3-73.90.9000111.7T57 C64T57-N60 PolarHBondContact O-N 3.37Å; T57-N60 VanDerWaalsContact O-N 3.15Å; T57-N60 PolarHBondContact OG1-N 2.97Å; N60-C64 PolarHBondContact O-N 3.44Å
61V98.5Very high97.1Very high0 Ų042.8 Ų42.80%023%0.232CC..Hα-helixtrans-68.4-41.7176.8179.50000110.6V54 T57 E59 C64 L65 T167 V169 V205V54-V61 HydrophobicContact CB-CG2 4.14Å; V54-V61 HydrophobicContact CG1-CG2 3.88Å; T57-V61 WeakPolarHBondContact O-CG2 3.12Å; T57-V61 PolarHBondContact O-N 2.97Å; E59-V61 VanDerWaalsContact C-N 3.34Å; E59-V61 PolarHBondContact O-N 3.3Å; V61-C64 PolarHBondContact O-N 2.79Å; V61-L65 HydrophobicContact CG1-CD1 3.96Å; V61-L65 WeakPolarHBondContact O-CG 3.47Å; V61-L65 PolarHBondContact O-N 3.35Å; V61-T167 HydrophobicContact CB-CG2 4.24Å; V61-T167 HydrophobicContact CG1-CG2 4.27Å; V61-T167 HydrophobicContact CG2-CG2 4.42Å; V61-V169 HydrophobicContact CG1-CG2 3.6Å; V61-V205 HydrophobicContact CB-CG2 4.43Å; V61-V205 HydrophobicContact CG2-CG1 4.02Å; V61-V205 HydrophobicContact CG2-CG2 4Å
62W98.5Very high97Very high30 Ų3041.7 Ų41.711%0.11423%0.227CC..Hα-helixtrans-65-38.5175.4-179-115.1000112.4P58 E59 C64 L65 K66 V119 I127P58-W62 WeakPolarHBondContact O-CB 3.27Å; P58-W62 PolarHBondContact O-N 3.49Å; E59-W62 PolarHBondContact O-N 3.2Å; W62-C64 PolarHBondContact O-N 3.18Å; W62-L65 HydrophobicContact CE3-CB 4.28Å; W62-L65 CarbonylContact O-C 3.47Å; W62-L65 PolarHBondContact O-N 3.03Å; W62-K66 HydrophobicContact CD2-CB 4.16Å; W62-K66 HydrophobicContact CH2-CB 4.45Å; W62-K66 HydrophobicContact CZ2-CB 3.74Å; W62-K66 WeakPolarHBondContact O-CB 3.39Å; W62-K66 PolarHBondContact O-N 3.09Å; W62-V119 HydrophobicContact CH2-CG1 4.11Å; W62-V119 HydrophobicContact CH2-CG2 4.19Å; W62-V119 HydrophobicContact CZ2-CB 4.34Å; W62-V119 HydrophobicContact CZ2-CG1 3.5Å; W62-V119 VanDerWaalsContact CZ2-CG1 3.5Å; W62-V119 HydrophobicContact CZ2-CG2 3.91Å; W62-I127 HydrophobicContact CD2-CB 4.14Å; W62-I127 HydrophobicContact CD2-CG2 3.59Å; W62-I127 VanDerWaalsContact CE2-CG2 3.44Å; W62-I127 HydrophobicContact CE3-CB 4.26Å; W62-I127 HydrophobicContact CE3-CG2 3.89Å; W62-I127 HydrophobicContact CG-CB 4.44Å; W62-I127 HydrophobicContact CG-CD1 4.2Å; W62-I127 HydrophobicContact CG-CG2 4.16Å; W62-I127 HydrophobicContact CH2-CG2 3.93Å; W62-I127 HydrophobicContact CZ2-CG2 3.66Å; W62-I127 HydrophobicContact CZ3-CG2 4.05Å
63E98.1Very high97Very high71 Ų7143 Ų4333%0.33223%0.229SC..Hα-helixtrans-58.3-35.6176.1-172.957.6-149.400112.1E59 K66 L72 L208E59-E63 WeakPolarHBondContact O-CB 3.41Å; E59-E63 PolarHBondContact O-N 3.47Å; E63-K66 VanDerWaalsContact CD-CE 3.46Å; E63-K66 WeakPolarHBondContact OE1-CE 3.45Å; E63-K66 IonicContact OE1-NZ 2.66Å; E63-K66 PolarHBondContact OE1-NZ 2.96Å; E63-K66 VanDerWaalsContact OE2-CE 3.25Å; E63-K66 WeakPolarHBondContact OE2-CE 3.32Å; E63-K66 IonicContact OE2-NZ 3.62Å; E63-K66 PolarHBondContact OE2-NZ 2.82Å; E63-L72 HydrophobicContact CG-CD1 3.92Å; E63-L208 HydrophobicContact CB-CD1 4.46Å; E63-L208 HydrophobicContact CG-CD1 4.46Å
64C98.3Very high96.9Very high0 Ų040.8 Ų40.80%022%0.22CC..Hα-helixtrans-70.3-32.4172.6-68.10000113.5N60 V61 W62 W76 L201 V205 L208N60-C64 PolarHBondContact O-N 3.44Å; V61-C64 PolarHBondContact O-N 2.79Å; W62-C64 PolarHBondContact O-N 3.18Å; C64-W76 HydrophobicContact CB-CZ2 4.29Å; C64-W76 WeakPolarHBondContact O-CZ2 3.43Å; C64-W76 PolarHBondContact O-NE1 2.89Å; C64-L201 HydrophobicContact CB-CD1 3.55Å; C64-V205 HydrophobicContact CB-CG2 4.21Å; C64-V205 VanDerWaalsContact SG-CG2 3.59Å; C64-L208 WeakPolarHBondContact SG-CD1 3.28Å
65L98.3Very high96.9Very high2 Ų248.5 Ų48.51%0.0125%0.254CS..Hα-helixtrans-97.6-24.9-169.7-73172.3000114.8V61 W62 W76 C155 C157 V169 F197 L201V61-L65 HydrophobicContact CG1-CD1 3.96Å; V61-L65 WeakPolarHBondContact O-CG 3.47Å; V61-L65 PolarHBondContact O-N 3.35Å; W62-L65 HydrophobicContact CE3-CB 4.28Å; W62-L65 CarbonylContact O-C 3.47Å; W62-L65 PolarHBondContact O-N 3.03Å; L65-W76 HydrophobicContact CD2-CH2 3.98Å; L65-W76 HydrophobicContact CD2-CZ2 3.91Å; L65-C155 HydrophobicContact CD1-CB 4.39Å; L65-C157 WeakPolarHBondContact CD1-SG 3.5Å; L65-V169 HydrophobicContact CD1-CG1 4.13Å; L65-V169 HydrophobicContact CD1-CG2 4.45Å; L65-F197 HydrophobicContact CD2-CE2 3.84Å; L65-F197 HydrophobicContact CD2-CZ 3.49Å; L65-F197 VanDerWaalsContact CD2-CZ 3.49Å; L65-L201 HydrophobicContact CD1-CD2 4.1Å; L65-L201 HydrophobicContact CD2-CD1 4.08Å; L65-L201 HydrophobicContact CD2-CD2 4.09Å; L65-L201 HydrophobicContact CG-CD1 3.98Å; L65-L201 HydrophobicContact CG-CD2 4.29Å
66K97.3Very high96.9Very high47 Ų4746.3 Ų46.320%0.20423%0.234CC..SBendtrans-56.9138.5-171.171-179.2-174.6-171.30110.8W62 E63 D68W62-K66 HydrophobicContact CD2-CB 4.16Å; W62-K66 HydrophobicContact CH2-CB 4.45Å; W62-K66 HydrophobicContact CZ2-CB 3.74Å; W62-K66 WeakPolarHBondContact O-CB 3.39Å; W62-K66 PolarHBondContact O-N 3.09Å; E63-K66 VanDerWaalsContact CD-CE 3.46Å; E63-K66 WeakPolarHBondContact OE1-CE 3.45Å; E63-K66 IonicContact OE1-NZ 2.66Å; E63-K66 PolarHBondContact OE1-NZ 2.96Å; E63-K66 VanDerWaalsContact OE2-CE 3.25Å; E63-K66 WeakPolarHBondContact OE2-CE 3.32Å; E63-K66 IonicContact OE2-NZ 3.62Å; E63-K66 PolarHBondContact OE2-NZ 2.82Å; K66-D68 HydrophobicContact CD-CB 4.47Å; K66-D68 HydrophobicContact CG-CB 4.13Å; K66-D68 PolarHBondContact O-N 2.82Å
67P96.3Very high96.9Very high26 Ų2646.7 Ų46.717%0.16924%0.235CC..  trans-7870.3-176.432.7-36000111.2F83 I117 V119P67-F83 VanDerWaalsContact C-CE1 3.48Å; P67-F83 HydrophobicContact CB-CE1 4.17Å; P67-F83 HydrophobicContact CB-CZ 3.68Å; P67-F83 WeakPolarHBondContact O-CE1 3.47Å; P67-I117 HydrophobicContact CB-CD1 4.08Å; P67-I117 HydrophobicContact CB-CG2 4.03Å; P67-I117 HydrophobicContact CG-CG2 3.77Å; P67-V119 HydrophobicContact CG-CG2 3.6Å
68D95.4Very high96.9Very high51 Ų5146.9 Ų46.927%0.27324%0.239SC..  trans-112.8124.2-178.8179.1-5.6000110.5K66 N70 G71K66-D68 HydrophobicContact CD-CB 4.47Å; K66-D68 HydrophobicContact CG-CB 4.13Å; K66-D68 PolarHBondContact O-N 2.82Å; D68-N70 PolarHBondContact O-N 3.46Å; D68-N70 PolarHBondContact OD1-N 2.85Å; D68-G71 WeakPolarHBondContact O-CA 3.43Å; D68-G71 PolarHBondContact O-N 2.79Å; D68-G71 PolarHBondContact OD1-N 3.12Å
69P93.2Very high96.9Very high42 Ų4247.3 Ų47.327%0.27324%0.24SC..THydrogen-bonded Turntrans-53.5-31.8174.2-23.130.8000115F83 L85P69-F83 HydrophobicContact CB-CD1 4.5Å; P69-F83 HydrophobicContact CG-CD1 4.28Å; P69-F83 HydrophobicContact CG-CE1 4.49Å; P69-L85 HydrophobicContact CG-CB 3.58Å
70N93.4Very high97Very high146 Ų14642.4 Ų42.478%0.78122%0.218SC*.THydrogen-bonded Turntrans-101.75.3177.3-60.2-52000112.2D68D68-N70 PolarHBondContact O-N 3.46Å; D68-N70 PolarHBondContact OD1-N 2.85Å
71G94.4Very high97Very high7 Ų745.5 Ų45.57%0.07223%0.229CC..SBendtrans-75.4-172.3-177.600000113.6D68D68-G71 WeakPolarHBondContact O-CA 3.43Å; D68-G71 PolarHBondContact O-N 2.79Å; D68-G71 PolarHBondContact OD1-N 3.12Å
72L97.3Very high96.9Very high32 Ų3249.8 Ų49.817%0.16825%0.248CC..SBendtrans-84.1-17.3-173.4-60.2179.2000113.6E63 V74 K75 L208E63-L72 HydrophobicContact CG-CD1 3.92Å; L72-V74 VanDerWaalsContact C-N 3.33Å; L72-V74 PolarHBondContact O-N 3.11Å; L72-K75 HydrophobicContact CD2-CD 4.01Å; L72-K75 WeakPolarHBondContact O-CA 3.28Å; L72-K75 VanDerWaalsContact O-CB 3.29Å; L72-K75 WeakPolarHBondContact O-CB 3.39Å; L72-K75 PolarHBondContact O-N 2.93Å; L72-L208 HydrophobicContact CD1-CD1 3.69Å; L72-L208 HydrophobicContact CD1-CD2 3.76Å; L72-L208 HydrophobicContact CD1-CG 4.15Å
73R97.7Very high96.9Very high39 Ų3949.6 Ų49.615%0.14725%0.248CC..Hα-helixtrans-54.9-44.7-168.6-169.960.3177.3-95.3-6.9113.6K75 W76 D77 V80 F197R73-K75 PolarHBondContact O-N 2.82Å; R73-W76 PolarHBondContact O-N 3.05Å; R73-D77 HydrophobicContact CG-CB 4.34Å; R73-D77 IonicContact CZ-OD2 2.67Å; R73-D77 VanDerWaalsContact CZ-OD2 3.23Å; R73-D77 IonicContact NE-OD2 3.42Å; R73-D77 PolarHBondContact NE-OD2 3.01Å; R73-D77 IonicContact NH2-OD2 3.51Å; R73-D77 PolarHBondContact NH2-OD2 2.71Å; R73-D77 WeakPolarHBondContact O-CB 3.09Å; R73-D77 PolarHBondContact O-N 2.79Å; R73-V80 HydrophobicContact CG-CG2 4.35Å; R73-F197 VanDerWaalsContact CZ-CE2 3.44Å
74V97.4Very high96.9Very high53 Ų5349.3 Ų49.332%0.32125%0.247SC..Hα-helixtrans-64.1-24.1178.2-176.90000112.4L72 V80 F83L72-V74 VanDerWaalsContact C-N 3.33Å; L72-V74 PolarHBondContact O-N 3.11Å; V74-V80 HydrophobicContact CG2-CG1 3.95Å; V74-F83 HydrophobicContact CG2-CB 3.76Å
75K97.1Very high96.9Very high166 Ų16653.1 Ų53.172%0.72227%0.266SS*.Hα-helixtrans-79.4-25.3-176.4-57-177.1-176.7174.80113.1L72 R73L72-K75 HydrophobicContact CD2-CD 4.01Å; L72-K75 WeakPolarHBondContact O-CA 3.28Å; L72-K75 VanDerWaalsContact O-CB 3.29Å; L72-K75 WeakPolarHBondContact O-CB 3.39Å; L72-K75 PolarHBondContact O-N 2.93Å; R73-K75 PolarHBondContact O-N 2.82Å
76W97.8Very high96.9Very high30 Ų3055.1 Ų55.111%0.11428%0.277CS..Hα-helixtrans-125.9-26.7-171.667.8-102.2000114.5C64 L65 R73 S78 F197 N200 L201 A204C64-W76 HydrophobicContact CB-CZ2 4.29Å; C64-W76 WeakPolarHBondContact O-CZ2 3.43Å; C64-W76 PolarHBondContact O-NE1 2.89Å; L65-W76 HydrophobicContact CD2-CH2 3.98Å; L65-W76 HydrophobicContact CD2-CZ2 3.91Å; R73-W76 PolarHBondContact O-N 3.05Å; W76-S78 PolarHBondContact O-N 2.99Å; W76-F197 AromaticContact CH2-CD2 3.68Å; W76-F197 HydrophobicContact CH2-CD2 3.68Å; W76-F197 AromaticContact CH2-CE2 3.33Å; W76-F197 HydrophobicContact CH2-CE2 3.33Å; W76-F197 HydrophobicContact CH2-CZ 4.1Å; W76-F197 HydrophobicContact CZ2-CE2 4.37Å; W76-F197 AromaticContact CZ3-CD2 3.75Å; W76-F197 HydrophobicContact CZ3-CD2 3.75Å; W76-F197 AromaticContact CZ3-CE2 3.92Å; W76-F197 HydrophobicContact CZ3-CE2 3.92Å; W76-F197 WeakPolarHBondContact CZ3-O 3.31Å; W76-N200 HydrophobicContact CE3-CB 3.86Å; W76-N200 HydrophobicContact CZ3-CB 4.36Å; W76-N200 WeakPolarHBondContact O-CB 3.39Å; W76-L201 HydrophobicContact CE3-CB 4.4Å; W76-L201 HydrophobicContact CH2-CB 3.71Å; W76-L201 HydrophobicContact CH2-CD1 3.78Å; W76-L201 HydrophobicContact CH2-CG 4.23Å; W76-L201 HydrophobicContact CZ2-CB 4.43Å; W76-L201 HydrophobicContact CZ2-CD1 3.7Å; W76-L201 HydrophobicContact CZ3-CB 3.72Å; W76-A204 HydrophobicContact CB-CB 3.74Å; W76-A204 HydrophobicContact CD2-CB 4.17Å; W76-A204 HydrophobicContact CG-CB 3.63Å
77D98.1Very high97Very high7 Ų756.6 Ų56.64%0.03728%0.284CS..  trans-83.3108.2179.2-170.4-16.4000109.8R73 N79 V80R73-D77 HydrophobicContact CG-CB 4.34Å; R73-D77 IonicContact CZ-OD2 2.67Å; R73-D77 VanDerWaalsContact CZ-OD2 3.23Å; R73-D77 IonicContact NE-OD2 3.42Å; R73-D77 PolarHBondContact NE-OD2 3.01Å; R73-D77 IonicContact NH2-OD2 3.51Å; R73-D77 PolarHBondContact NH2-OD2 2.71Å; R73-D77 WeakPolarHBondContact O-CB 3.09Å; R73-D77 PolarHBondContact O-N 2.79Å; D77-N79 PolarHBondContact O-N 2.79Å; D77-N79 VanDerWaalsContact O-N 3.11Å; D77-N79 WeakPolarHBondContact OD1-CB 3.38Å; D77-N79 PolarHBondContact OD1-N 2.84Å; D77-V80 HydrophobicContact CB-CB 4.17Å; D77-V80 HydrophobicContact CB-CG2 3.98Å; D77-V80 PolarHBondContact O-N 2.86Å
78S96.5Very high97.1Very high48 Ų4860.2 Ų60.234%0.33630%0.299SS..THydrogen-bonded Turntrans-62.7-17.6-179.754.80000113.4W76 P101 E196W76-S78 PolarHBondContact O-N 2.99Å; S78-P101 VanDerWaalsContact O-CG 3.23Å; S78-P101 WeakPolarHBondContact O-CG 3.21Å; S78-E196 VanDerWaalsContact CB-OE1 3.31Å; S78-E196 WeakPolarHBondContact CB-OE1 3.29Å; S78-E196 PolarHBondContact OG-OE1 3.19Å
79N96.9Very high97.2Very high26 Ų2660 Ų6014%0.13930%0.297CS..THydrogen-bonded Turntrans-88.8-3.2174.8-67.3-64.4000113.1D77 T100 P101 S193D77-N79 PolarHBondContact O-N 2.79Å; D77-N79 VanDerWaalsContact O-N 3.11Å; D77-N79 WeakPolarHBondContact OD1-CB 3.38Å; D77-N79 PolarHBondContact OD1-N 2.84Å; N79-T100 WeakPolarHBondContact O-CA 3.36Å; N79-T100 VanDerWaalsContact O-CB 3.22Å; N79-T100 WeakPolarHBondContact O-CB 3.19Å; N79-T100 WeakPolarHBondContact O-CG2 3.25Å; N79-P101 WeakPolarHBondContact O-CD 3.32Å; N79-S193 PolarHBondContact ND2-OG 3.29Å
80V98.1Very high97.4Very high16 Ų1662.3 Ų62.310%0.09730%0.303CS..  trans-115.3104179.5-177.80000110.1R73 V74 D77 F83 T98R73-V80 HydrophobicContact CG-CG2 4.35Å; V74-V80 HydrophobicContact CG2-CG1 3.95Å; D77-V80 HydrophobicContact CB-CB 4.17Å; D77-V80 HydrophobicContact CB-CG2 3.98Å; D77-V80 PolarHBondContact O-N 2.86Å; V80-F83 HydrophobicContact CG1-CB 4.38Å; V80-T98 HydrophobicContact CG1-CG2 4.17Å; V80-T98 HydrophobicContact CG2-CG2 4.3Å
81K97.8Very high97.5Very high117 Ų11764.8 Ų64.851%0.50931%0.31SS..SBendtrans-84.9-37.2175.9-175.3178.9180179.30112.4V99K81-V99 WeakPolarHBondContact CA-O 3.46Å; K81-V99 HydrophobicContact CB-CG1 4.37Å; K81-V99 WeakPolarHBondContact CB-O 3.28Å; K81-V99 HydrophobicContact CD-CG1 4.47Å; K81-V99 PolarHBondContact N-O 3.03Å
82K97.8Very high97.7Very high89 Ų8967.8 Ų67.839%0.38733%0.325SS..EExtended strand (participates in β ladder)trans-145.7149.7175.6-55.5-175.5172.6-169.90110.3E84 T98 V99K82-E84 HydrophobicContact CB-CG 4.43Å; K82-T98 WeakPolarHBondContact O-CA 3.43Å; K82-V99 HydrophobicContact CB-CB 3.94Å; K82-V99 HydrophobicContact CB-CG2 4.16Å; K82-V99 HydrophobicContact CD-CG2 4.46Å; K82-V99 HydrophobicContact CG-CB 4.33Å; K82-V99 PolarHBondContact N-O 3.26Å; K82-V99 PolarHBondContact O-N 3.39Å
83F98.4Very high97.8Very high26 Ų2666.3 Ų66.311%0.11432%0.317CS..EExtended strand (participates in β ladder)trans-136.9116.2171.5-166.4-94.4000108P67 P69 V74 V80 C96 R97 T98 I117P67-F83 VanDerWaalsContact C-CE1 3.48Å; P67-F83 HydrophobicContact CB-CE1 4.17Å; P67-F83 HydrophobicContact CB-CZ 3.68Å; P67-F83 WeakPolarHBondContact O-CE1 3.47Å; P69-F83 HydrophobicContact CB-CD1 4.5Å; P69-F83 HydrophobicContact CG-CD1 4.28Å; P69-F83 HydrophobicContact CG-CE1 4.49Å; V74-F83 HydrophobicContact CG2-CB 3.76Å; V80-F83 HydrophobicContact CG1-CB 4.38Å; F83-C96 HydrophobicContact CE1-CB 3.9Å; F83-C96 HydrophobicContact CE2-CB 4.09Å; F83-C96 HydrophobicContact CZ-CB 3.57Å; F83-R97 CarbonylContact C-O 3.55Å; F83-R97 WeakPolarHBondContact CA-O 3.36Å; F83-T98 HydrophobicContact CD2-CG2 4.4Å; F83-T98 VanDerWaalsContact CD2-OG1 3.31Å; F83-T98 WeakPolarHBondContact CD2-OG1 3.39Å; F83-T98 WeakPolarHBondContact CE2-OG1 3.43Å; F83-I117 HydrophobicContact CE2-CD1 4.16Å; F83-I117 HydrophobicContact CZ-CD1 3.73Å
84E98.2Very high97.8Very high66 Ų6665 Ų6531%0.30831%0.314SS..EExtended strand (participates in β ladder)trans-126.3127.4-168.3-57.8175.4131.100109.1K82 C96 R97K82-E84 HydrophobicContact CB-CG 4.43Å; E84-C96 CarbonylContact O-C 3.51Å; E84-C96 VanDerWaalsContact O-CA 3.23Å; E84-C96 WeakPolarHBondContact O-CA 3.46Å; E84-R97 HydrophobicContact CB-CB 4.33Å; E84-R97 PolarHBondContact N-O 3.21Å; E84-R97 PolarHBondContact O-N 3.44Å; E84-R97 WeakPolarHBondContact OE2-CD 3.02Å; E84-R97 IonicContact OE2-CZ 3.23Å; E84-R97 IonicContact OE2-NH1 2.8Å; E84-R97 PolarHBondContact OE2-NH1 2.76Å
85L98.4Very high97.9Very high79 Ų7962.5 Ų62.541%0.41430%0.298SS..EExtended strand (participates in β ladder)trans-74.4126.3170.917768.4000109.1P69 E87P69-L85 HydrophobicContact CG-CB 3.58Å; L85-E87 WeakPolarHBondContact CD1-O 3.48Å
86L98.3Very high97.9Very high44 Ų4454.6 Ų54.623%0.2326%0.264CS..EExtended strand (participates in β ladder)trans-97.2-44.4174.5-60.3-178.2000111.6I95 R97 V114 H136 C139L86-I95 WeakPolarHBondContact CA-O 3.38Å; L86-I95 HydrophobicContact CB-CG2 4.31Å; L86-I95 WeakPolarHBondContact CB-O 3.32Å; L86-I95 HydrophobicContact CD1-CG2 4.2Å; L86-I95 PolarHBondContact N-O 2.91Å; L86-R97 HydrophobicContact CD1-CB 4.12Å; L86-R97 HydrophobicContact CD2-CB 4.19Å; L86-R97 HydrophobicContact CG-CB 4.15Å; L86-V114 HydrophobicContact CD1-CG1 3.79Å; L86-V114 HydrophobicContact CD1-CG2 4.23Å; L86-H136 HydrophobicContact CD1-CB 4.2Å; L86-C139 HydrophobicContact CD1-CB 3.53Å; L86-C139 HydrophobicContact CD2-CB 4.12Å
87E98Very high98Very high78 Ų7854.2 Ų54.236%0.36426%0.263SS..EExtended strand (participates in β ladder)trans-151.5135.4-178.3-170.5-178.5178.300110.1L85 I89 S94 I95 H136L85-E87 WeakPolarHBondContact CD1-O 3.48Å; E87-I89 HydrophobicContact CB-CD1 4.39Å; E87-I89 HydrophobicContact CG-CD1 3.75Å; E87-I89 WeakPolarHBondContact OE1-CD1 3.4Å; E87-S94 CarbonylContact O-C 3.58Å; E87-S94 WeakPolarHBondContact O-CA 3.36Å; E87-I95 HydrophobicContact CB-CB 4.26Å; E87-I95 HydrophobicContact CB-CD1 4.43Å; E87-I95 PolarHBondContact N-O 3.27Å; E87-I95 PolarHBondContact O-N 3.15Å; E87-H136 IonicContact OE2-CD2 3.75Å; E87-H136 IonicContact OE2-NE2 2.86Å; E87-H136 PolarHBondContact OE2-NE2 2.88Å
88Q97.9Very high98Very high102 Ų10254.8 Ų54.848%0.47727%0.267SS..EExtended strand (participates in β ladder)trans-95116168.6-167.472.953.800108.7K90 I93Q88-K90 PolarHBondContact NE2-O 3.31Å; Q88-I93 PolarHBondContact NE2-O 2.91Å; Q88-I93 VanDerWaalsContact NE2-O 3.12Å
89I97.8Very high98.1Very high46 Ų4652.5 Ų52.524%0.23625%0.251CS..EExtended strand (participates in β ladder)trans-88.4-46.3-178-53.7-61.7000110.6Y3 E4 E87 I93 I95Y3-I89 HydrophobicContact CD2-CD1 3.82Å; Y3-I89 HydrophobicContact CD2-CG1 4.41Å; Y3-I89 HydrophobicContact CE2-CD1 4.35Å; E4-I89 HydrophobicContact CG-CG2 4.3Å; E87-I89 HydrophobicContact CB-CD1 4.39Å; E87-I89 HydrophobicContact CG-CD1 3.75Å; E87-I89 WeakPolarHBondContact OE1-CD1 3.4Å; I89-I93 WeakPolarHBondContact CA-O 3.45Å; I89-I93 HydrophobicContact CB-CB 4.2Å; I89-I93 HydrophobicContact CB-CG2 3.92Å; I89-I93 WeakPolarHBondContact CB-O 3.47Å; I89-I93 HydrophobicContact CG1-CG2 4.24Å; I89-I93 HydrophobicContact CG2-CG2 4.31Å; I89-I93 PolarHBondContact N-O 3.37Å; I89-I95 HydrophobicContact CD1-CD1 3.96Å; I89-I95 HydrophobicContact CD1-CG1 4.24Å; I89-I95 HydrophobicContact CG1-CD1 4.32Å; I89-I95 HydrophobicContact CG1-CG1 4.08Å
90K97.3Very high98.2Very high91 Ų9152.4 Ų52.440%0.39625%0.251SS..EExtended strand (participates in β ladder)trans-146.3173.3175.9-72.6-169.4164.2173.30109.9E4 Q88 D92 I93E4-K90 HydrophobicContact CG-CD 4.46Å; E4-K90 WeakPolarHBondContact OE1-CE 3.42Å; E4-K90 IonicContact OE1-NZ 2.67Å; E4-K90 PolarHBondContact OE1-NZ 2.73Å; E4-K90 WeakPolarHBondContact OE2-CE 3.46Å; E4-K90 IonicContact OE2-NZ 3.93Å; E4-K90 PolarHBondContact OE2-NZ 2.86Å; Q88-K90 PolarHBondContact NE2-O 3.31Å; K90-D92 WeakPolarHBondContact CB-OD1 3.35Å; K90-D92 PolarHBondContact O-N 3.21Å; K90-D92 VanDerWaalsContact O-N 3.16Å; K90-I93 HydrophobicContact CB-CB 4.17Å; K90-I93 HydrophobicContact CB-CG1 4.48Å; K90-I93 HydrophobicContact CD-CD1 4.44Å; K90-I93 PolarHBondContact N-O 3.24Å; K90-I93 PolarHBondContact O-N 3.48Å
91E96.8Very high98.2Very high198 Ų19853.4 Ų53.493%0.92526%0.258SS*.THydrogen-bonded Turntrans-51.1-39.1174.9-175.4176.9-179.700112.8
92D98Very high98.2Very high70 Ų7050.5 Ų50.537%0.37425%0.252SS..THydrogen-bonded Turntrans-103.3-4.2-17664.1-23.8000114.3K90 L118 V119K90-D92 WeakPolarHBondContact CB-OD1 3.35Å; K90-D92 PolarHBondContact O-N 3.21Å; K90-D92 VanDerWaalsContact O-N 3.16Å; D92-L118 HydrophobicContact CB-CD1 4.16Å; D92-L118 CarbonylContact O-C 3.5Å; D92-L118 WeakPolarHBondContact O-CA 3.48Å; D92-L118 WeakPolarHBondContact OD2-CD1 3.46Å; D92-V119 WeakPolarHBondContact CB-O 3.47Å; D92-V119 PolarHBondContact O-N 2.87Å
93I98.6Very high98.1Very high1 Ų147 Ų471%0.00524%0.24CC..EExtended strand (participates in β ladder)trans-126.7123.1-176.8-56.4173.4000110.7E4 A7 Q88 I89 K90 V116 I117 L118E4-I93 HydrophobicContact CB-CD1 4.16Å; E4-I93 HydrophobicContact CG-CD1 3.98Å; A7-I93 HydrophobicContact CB-CG2 4.47Å; Q88-I93 PolarHBondContact NE2-O 2.91Å; Q88-I93 VanDerWaalsContact NE2-O 3.12Å; I89-I93 WeakPolarHBondContact CA-O 3.45Å; I89-I93 HydrophobicContact CB-CB 4.2Å; I89-I93 HydrophobicContact CB-CG2 3.92Å; I89-I93 WeakPolarHBondContact CB-O 3.47Å; I89-I93 HydrophobicContact CG1-CG2 4.24Å; I89-I93 HydrophobicContact CG2-CG2 4.31Å; I89-I93 PolarHBondContact N-O 3.37Å; K90-I93 HydrophobicContact CB-CB 4.17Å; K90-I93 HydrophobicContact CB-CG1 4.48Å; K90-I93 HydrophobicContact CD-CD1 4.44Å; K90-I93 PolarHBondContact N-O 3.24Å; K90-I93 PolarHBondContact O-N 3.48Å; I93-V116 HydrophobicContact CG2-CG2 3.73Å; I93-I117 VanDerWaalsContact CA-O 3.31Å; I93-I117 WeakPolarHBondContact CA-O 3.31Å; I93-L118 HydrophobicContact CD1-CD1 4.18Å; I93-L118 HydrophobicContact CG1-CB 4.26Å; I93-L118 HydrophobicContact CG1-CD1 3.62Å
94S98.5Very high97.9Very high12 Ų1247.6 Ų47.68%0.08425%0.25CC..EExtended strand (participates in β ladder)trans-133.3159.9177.5580000111.8E87 V116 I117E87-S94 CarbonylContact O-C 3.58Å; E87-S94 WeakPolarHBondContact O-CA 3.36Å; S94-V116 CarbonylContact O-C 3.58Å; S94-V116 WeakPolarHBondContact O-CA 3.27Å; S94-I117 PolarHBondContact N-O 3.22Å; S94-I117 PolarHBondContact O-N 2.86Å
95I98.7Very high97.6Very high0 Ų053.6 Ų53.60%028%0.28CS..EExtended strand (participates in β ladder)trans-108.7120.9165.6-57.7178.3000107.1Y3 L86 E87 I89 V114 D115 V116 V134 H136Y3-I95 HydrophobicContact CD1-CD1 4.12Å; Y3-I95 HydrophobicContact CD2-CD1 3.8Å; Y3-I95 HydrophobicContact CE1-CD1 3.89Å; Y3-I95 HydrophobicContact CE2-CD1 3.53Å; Y3-I95 HydrophobicContact CG-CD1 4.08Å; L86-I95 WeakPolarHBondContact CA-O 3.38Å; L86-I95 HydrophobicContact CB-CG2 4.31Å; L86-I95 WeakPolarHBondContact CB-O 3.32Å; L86-I95 HydrophobicContact CD1-CG2 4.2Å; L86-I95 PolarHBondContact N-O 2.91Å; E87-I95 HydrophobicContact CB-CB 4.26Å; E87-I95 HydrophobicContact CB-CD1 4.43Å; E87-I95 PolarHBondContact N-O 3.27Å; E87-I95 PolarHBondContact O-N 3.15Å; I89-I95 HydrophobicContact CD1-CD1 3.96Å; I89-I95 HydrophobicContact CD1-CG1 4.24Å; I89-I95 HydrophobicContact CG1-CD1 4.32Å; I89-I95 HydrophobicContact CG1-CG1 4.08Å; I95-V114 HydrophobicContact CG2-CG1 3.97Å; I95-D115 WeakPolarHBondContact CA-O 3.46Å; I95-V116 HydrophobicContact CG1-CB 4.38Å; I95-V116 HydrophobicContact CG1-CG2 4.41Å; I95-V134 HydrophobicContact CD1-CG2 4.42Å; I95-V134 HydrophobicContact CG2-CG2 3.9Å; I95-H136 HydrophobicContact CG2-CB 4.39Å
96C98.6Very high97.4Very high1 Ų152.2 Ų52.21%0.00729%0.285CS..EExtended strand (participates in β ladder)trans-124.5151.2-178-650000110.9F83 E84 V114 D115 I117F83-C96 HydrophobicContact CE1-CB 3.9Å; F83-C96 HydrophobicContact CE2-CB 4.09Å; F83-C96 HydrophobicContact CZ-CB 3.57Å; E84-C96 CarbonylContact O-C 3.51Å; E84-C96 VanDerWaalsContact O-CA 3.23Å; E84-C96 WeakPolarHBondContact O-CA 3.46Å; C96-V114 WeakPolarHBondContact O-CA 3.43Å; C96-D115 PolarHBondContact N-O 3.28Å; C96-D115 PolarHBondContact O-N 3.4Å; C96-I117 HydrophobicContact CB-CD1 3.85Å
97R98.7Very high97.4Very high21 Ų2154.5 Ų54.58%0.07930%0.296CS..EExtended strand (participates in β ladder)trans-101.1130.3166.9-170.2-163.5-175.5-160.75.5109.8F83 E84 L86 D112 F113 V114 C139 H142F83-R97 CarbonylContact C-O 3.55Å; F83-R97 WeakPolarHBondContact CA-O 3.36Å; E84-R97 HydrophobicContact CB-CB 4.33Å; E84-R97 PolarHBondContact N-O 3.21Å; E84-R97 PolarHBondContact O-N 3.44Å; E84-R97 WeakPolarHBondContact OE2-CD 3.02Å; E84-R97 IonicContact OE2-CZ 3.23Å; E84-R97 IonicContact OE2-NH1 2.8Å; E84-R97 PolarHBondContact OE2-NH1 2.76Å; L86-R97 HydrophobicContact CD1-CB 4.12Å; L86-R97 HydrophobicContact CD2-CB 4.19Å; L86-R97 HydrophobicContact CG-CB 4.15Å; R97-D112 IonicContact CZ-OD2 3.96Å; R97-D112 IonicContact NE-OD2 3.05Å; R97-D112 PolarHBondContact NE-OD2 3.5Å; R97-D112 IonicContact NH2-OD2 3.66Å; R97-D112 PolarHBondContact NH2-OD2 2.91Å; R97-F113 CarbonylContact C-O 3.54Å; R97-F113 WeakPolarHBondContact CA-O 3.4Å; R97-F113 WeakPolarHBondContact CG-O 3.31Å; R97-V114 HydrophobicContact CB-CG2 4.48Å; R97-V114 HydrophobicContact CG-CG2 4.19Å; R97-C139 WeakPolarHBondContact CD-SG 3.29Å; R97-H142 PolarHBondContact NH2-CD2 2.84Å; R97-H142 VanDerWaalsContact NH2-CD2 3.29Å
98T98.8Very high97.3Very high19 Ų1951 Ų5112%0.11728%0.28CS..EExtended strand (participates in β ladder)trans-111.5131.6170.6-55.30000109.3V80 K82 F83 D112 F113V80-T98 HydrophobicContact CG1-CG2 4.17Å; V80-T98 HydrophobicContact CG2-CG2 4.3Å; K82-T98 WeakPolarHBondContact O-CA 3.43Å; F83-T98 HydrophobicContact CD2-CG2 4.4Å; F83-T98 VanDerWaalsContact CD2-OG1 3.31Å; F83-T98 WeakPolarHBondContact CD2-OG1 3.39Å; F83-T98 WeakPolarHBondContact CE2-OG1 3.43Å; T98-D112 CarbonylContact O-C 3.47Å; T98-D112 VanDerWaalsContact O-CA 3.28Å; T98-D112 WeakPolarHBondContact O-CA 3.23Å; T98-F113 PolarHBondContact N-O 2.91Å; T98-F113 PolarHBondContact O-N 3.12Å
99V98.6Very high97.3Very high0 Ų048 Ų480%027%0.273CS..EExtended strand (participates in β ladder)trans-110.4130.8172.7177.50000109K81 K82 R111 D112 Y145K81-V99 WeakPolarHBondContact CA-O 3.46Å; K81-V99 HydrophobicContact CB-CG1 4.37Å; K81-V99 WeakPolarHBondContact CB-O 3.28Å; K81-V99 HydrophobicContact CD-CG1 4.47Å; K81-V99 PolarHBondContact N-O 3.03Å; K82-V99 HydrophobicContact CB-CB 3.94Å; K82-V99 HydrophobicContact CB-CG2 4.16Å; K82-V99 HydrophobicContact CD-CG2 4.46Å; K82-V99 HydrophobicContact CG-CB 4.33Å; K82-V99 PolarHBondContact N-O 3.26Å; K82-V99 PolarHBondContact O-N 3.39Å; V99-R111 WeakPolarHBondContact CA-O 3.43Å; V99-D112 HydrophobicContact CG2-CB 4.22Å; V99-Y145 HydrophobicContact CG1-CD1 3.9Å; V99-Y145 HydrophobicContact CG1-CE1 3.27Å
100T98.4Very high97.4Very high24 Ų2447.7 Ų47.715%0.14727%0.274CS..  trans-106.1148176.472.20000110.5N79 P110 R111 F113N79-T100 WeakPolarHBondContact O-CA 3.36Å; N79-T100 VanDerWaalsContact O-CB 3.22Å; N79-T100 WeakPolarHBondContact O-CB 3.19Å; N79-T100 WeakPolarHBondContact O-CG2 3.25Å; T100-P110 WeakPolarHBondContact O-CB 3.27Å; T100-R111 PolarHBondContact N-O 2.82Å; T100-R111 WeakPolarHBondContact OG1-CB 3.45Å; T100-R111 PolarHBondContact OG1-N 3.12Å; T100-F113 HydrophobicContact CG2-CD2 4Å; T100-F113 HydrophobicContact CG2-CE2 3.53Å
101P98Very high97.4Very high37 Ų3743.6 Ų43.624%0.2426%0.256CS..  trans-72.5179.417332.7-33.4000111S78 N79S78-P101 VanDerWaalsContact O-CG 3.23Å; S78-P101 WeakPolarHBondContact O-CG 3.21Å; N79-P101 WeakPolarHBondContact O-CD 3.32Å
102S97.6Very high97.5Very high56 Ų5634.2 Ų34.239%0.39221%0.212SC..  trans-66.9143166.7-168.80000110.6G106 I108S102-G106 WeakPolarHBondContact OG-CA 3.41Å; S102-I108 CarbonylContact C-O 3.6Å; S102-I108 WeakPolarHBondContact CA-O 3.27Å; S102-I108 PolarHBondContact OG-O 3Å
103A96.7Very high97.5Very high17 Ų1731.2 Ų31.214%0.1420%0.196CC..BIsolated β-bridgetrans-129.3174.9177.900000111.8M105 G106 I107 I108 F189A103-M105 PolarHBondContact O-N 3.12Å; A103-G106 PolarHBondContact O-N 3.23Å; A103-G106 VanDerWaalsContact O-N 3.15Å; A103-I107 PolarHBondContact O-N 3.46Å; A103-I108 HydrophobicContact CB-CB 4.08Å; A103-I108 HydrophobicContact CB-CD1 4.41Å; A103-I108 HydrophobicContact CB-CG2 4.3Å; A103-I108 PolarHBondContact N-O 3.17Å; A103-I108 PolarHBondContact O-N 2.87Å; A103-I108 VanDerWaalsContact O-N 3.07Å; A103-F189 HydrophobicContact CB-CD2 4.03Å; A103-F189 HydrophobicContact CB-CE2 3.49Å; A103-F189 VanDerWaalsContact CB-CE2 3.49Å; A103-F189 HydrophobicContact CB-CZ 4.18Å
104A94.1Very high97.6Very high37 Ų3731.2 Ų31.231%0.30620%0.196SC..G310 helixtrans50.651.2179.600000112.8G106 I107 I108 V185A104-G106 PolarHBondContact O-N 2.74Å; A104-I107 HydrophobicContact CB-CB 4.34Å; A104-I107 WeakPolarHBondContact O-CB 3.33Å; A104-I107 VanDerWaalsContact O-CG1 3.28Å; A104-I107 WeakPolarHBondContact O-CG1 3.36Å; A104-I107 PolarHBondContact O-N 2.61Å; A104-I107 VanDerWaalsContact O-N 3.12Å; A104-I108 HydrophobicContact CB-CD1 3.86Å; A104-I108 HydrophobicContact CB-CG1 3.97Å; A104-V185 HydrophobicContact CB-CG1 4.05Å
105M92.4Very high97.6Very high193 Ų19330.9 Ų30.995%0.95119%0.193SC*.G310 helixtrans54.934.4179.8-54.7-178.8-67.100113.9A103A103-M105 PolarHBondContact O-N 3.12Å
106G94.6Very high97.6Very high49 Ų4930.9 Ų30.951%0.50519%0.193SC..G310 helixtrans95.8-11.7178.100000114.7S102 A103 A104 I108S102-G106 WeakPolarHBondContact OG-CA 3.41Å; A103-G106 PolarHBondContact O-N 3.23Å; A103-G106 VanDerWaalsContact O-N 3.15Å; A104-G106 PolarHBondContact O-N 2.74Å; G106-I108 VanDerWaalsContact C-N 3.32Å; G106-I108 PolarHBondContact O-N 3.07Å
107I96.3Very high97.6Very high93 Ų9331.3 Ų31.348%0.47720%0.195SC..THydrogen-bonded Turntrans-66.1-39.7179.7-59.2169.5000110.2A103 A104 A109 V185A103-I107 PolarHBondContact O-N 3.46Å; A104-I107 HydrophobicContact CB-CB 4.34Å; A104-I107 WeakPolarHBondContact O-CB 3.33Å; A104-I107 VanDerWaalsContact O-CG1 3.28Å; A104-I107 WeakPolarHBondContact O-CG1 3.36Å; A104-I107 PolarHBondContact O-N 2.61Å; A104-I107 VanDerWaalsContact O-N 3.12Å; I107-A109 PolarHBondContact O-N 2.84Å; I107-V185 HydrophobicContact CB-CG1 4.46Å; I107-V185 HydrophobicContact CD1-CG2 4.5Å; I107-V185 HydrophobicContact CG2-CG1 3.95Å; I107-V185 HydrophobicContact CG2-CG2 4.16Å
108I97.8Very high97.6Very high3 Ų330.5 Ų30.52%0.01519%0.192CC..BIsolated β-bridgetrans-92.497.6173.1-58.4172.8000106.9S102 A103 A104 G106 L177 L181 V185 F189S102-I108 CarbonylContact C-O 3.6Å; S102-I108 WeakPolarHBondContact CA-O 3.27Å; S102-I108 PolarHBondContact OG-O 3Å; A103-I108 HydrophobicContact CB-CB 4.08Å; A103-I108 HydrophobicContact CB-CD1 4.41Å; A103-I108 HydrophobicContact CB-CG2 4.3Å; A103-I108 PolarHBondContact N-O 3.17Å; A103-I108 PolarHBondContact O-N 2.87Å; A103-I108 VanDerWaalsContact O-N 3.07Å; A104-I108 HydrophobicContact CB-CD1 3.86Å; A104-I108 HydrophobicContact CB-CG1 3.97Å; G106-I108 VanDerWaalsContact C-N 3.32Å; G106-I108 PolarHBondContact O-N 3.07Å; I108-L177 HydrophobicContact CD1-CD1 4.14Å; I108-L177 HydrophobicContact CG2-CD1 4.4Å; I108-L181 HydrophobicContact CG1-CD1 4.16Å; I108-L181 HydrophobicContact CG1-CD2 4.26Å; I108-V185 HydrophobicContact CD1-CG1 3.95Å; I108-V185 HydrophobicContact CG1-CG1 3.88Å; I108-F189 HydrophobicContact CD1-CB 3.85Å; I108-F189 HydrophobicContact CD1-CD1 4.07Å; I108-F189 HydrophobicContact CD1-CD2 3.9Å; I108-F189 HydrophobicContact CD1-CG 3.65Å
109A97.9Very high97.6Very high40 Ų4031.7 Ų31.733%0.33120%0.2SC..  trans-51.2164.1166.500000114.1I107 R111I107-A109 PolarHBondContact O-N 2.84Å; A109-R111 WeakPolarHBondContact O-CD 3.5Å; A109-R111 PolarHBondContact O-NH1 3.26Å
110P98.4Very high97.6Very high40 Ų4035 Ų3526%0.2621%0.214SC..  trans-56.6139.8173.8-2737000113.2T100 Y145 V146T100-P110 WeakPolarHBondContact O-CB 3.27Å; P110-Y145 HydrophobicContact CB-CD1 3.73Å; P110-Y145 HydrophobicContact CB-CE1 3.95Å; P110-V146 PolarHBondContact O-N 2.81Å
111R98.6Very high97.6Very high5 Ų540.5 Ų40.52%0.01924%0.238CC..EExtended strand (participates in β ladder)trans-114.1154.9173.3-84.161.5-179.4170.27.9110.9V99 T100 A109 F113 V146 L177 G178V99-R111 WeakPolarHBondContact CA-O 3.43Å; T100-R111 PolarHBondContact N-O 2.82Å; T100-R111 WeakPolarHBondContact OG1-CB 3.45Å; T100-R111 PolarHBondContact OG1-N 3.12Å; A109-R111 WeakPolarHBondContact O-CD 3.5Å; A109-R111 PolarHBondContact O-NH1 3.26Å; R111-F113 HydrophobicContact CB-CD2 4.32Å; R111-F113 HydrophobicContact CB-CE2 3.47Å; R111-F113 VanDerWaalsContact CB-CE2 3.47Å; R111-F113 HydrophobicContact CB-CZ 3.77Å; R111-F113 HydrophobicContact CG-CE2 4.33Å; R111-F113 HydrophobicContact CG-CZ 4.13Å; R111-V146 WeakPolarHBondContact CA-O 3.43Å; R111-V146 WeakPolarHBondContact CB-O 3.33Å; R111-V146 HydrophobicContact CG-CB 4.19Å; R111-V146 WeakPolarHBondContact CG-O 3.32Å; R111-L177 PolarHBondContact NE-O 3.21Å; R111-G178 PolarHBondContact NH2-O 2.9Å
112D98.6Very high97.6Very high0 Ų040.5 Ų40.50%023%0.233CC..EExtended strand (participates in β ladder)trans-120.8148.515878.9-11.6000111.4R97 T98 V99 H142 Y145 V146 R147 G148R97-D112 IonicContact CZ-OD2 3.96Å; R97-D112 IonicContact NE-OD2 3.05Å; R97-D112 PolarHBondContact NE-OD2 3.5Å; R97-D112 IonicContact NH2-OD2 3.66Å; R97-D112 PolarHBondContact NH2-OD2 2.91Å; T98-D112 CarbonylContact O-C 3.47Å; T98-D112 VanDerWaalsContact O-CA 3.28Å; T98-D112 WeakPolarHBondContact O-CA 3.23Å; V99-D112 HydrophobicContact CG2-CB 4.22Å; D112-H142 IonicContact OD2-CD2 2.79Å; D112-Y145 HydrophobicContact CB-CG 4.28Å; D112-V146 PolarHBondContact N-O 2.75Å; D112-V146 VanDerWaalsContact N-O 3.09Å; D112-R147 WeakPolarHBondContact O-CD 3.46Å; D112-R147 IonicContact OD1-CZ 3.63Å; D112-R147 IonicContact OD1-NE 3.75Å; D112-R147 PolarHBondContact OD1-NE 2.8Å; D112-R147 IonicContact OD1-NH2 2.74Å; D112-R147 IonicContact OD2-NH2 3.96Å; D112-R147 PolarHBondContact OD2-NH2 2.83Å; D112-G148 PolarHBondContact O-N 2.87Å
113F98.8Very high97.5Very high8 Ų847.8 Ų47.84%0.03526%0.261CS..EExtended strand (participates in β ladder)trans-128.4141.7-179.5-58.8-91.8000107.7R97 T98 T100 R111 G148 N150 T175 L177R97-F113 CarbonylContact C-O 3.54Å; R97-F113 WeakPolarHBondContact CA-O 3.4Å; R97-F113 WeakPolarHBondContact CG-O 3.31Å; T98-F113 PolarHBondContact N-O 2.91Å; T98-F113 PolarHBondContact O-N 3.12Å; T100-F113 HydrophobicContact CG2-CD2 4Å; T100-F113 HydrophobicContact CG2-CE2 3.53Å; R111-F113 HydrophobicContact CB-CD2 4.32Å; R111-F113 HydrophobicContact CB-CE2 3.47Å; R111-F113 VanDerWaalsContact CB-CE2 3.47Å; R111-F113 HydrophobicContact CB-CZ 3.77Å; R111-F113 HydrophobicContact CG-CE2 4.33Å; R111-F113 HydrophobicContact CG-CZ 4.13Å; F113-G148 VanDerWaalsContact CD1-C 3.4Å; F113-G148 VanDerWaalsContact CE1-CA 3.42Å; F113-N150 WeakPolarHBondContact CD1-ND2 3.37Å; F113-T175 HydrophobicContact CD1-CG2 4.41Å; F113-T175 HydrophobicContact CE1-CG2 3.41Å; F113-T175 VanDerWaalsContact CE1-CG2 3.41Å; F113-T175 HydrophobicContact CZ-CG2 3.77Å; F113-L177 HydrophobicContact CZ-CD2 4.21Å
114V98.8Very high97.4Very high1 Ų151.1 Ų51.11%0.00628%0.277CS..EExtended strand (participates in β ladder)trans-125.9111.3174.9175.30000106.8L86 I95 C96 R97 N133 V134 H136 C139L86-V114 HydrophobicContact CD1-CG1 3.79Å; L86-V114 HydrophobicContact CD1-CG2 4.23Å; I95-V114 HydrophobicContact CG2-CG1 3.97Å; C96-V114 WeakPolarHBondContact O-CA 3.43Å; R97-V114 HydrophobicContact CB-CG2 4.48Å; R97-V114 HydrophobicContact CG-CG2 4.19Å; V114-N133 CarbonylContact O-C 3.53Å; V114-N133 VanDerWaalsContact O-CA 3.27Å; V114-N133 WeakPolarHBondContact O-CA 3.33Å; V114-V134 HydrophobicContact CG1-CG2 4.08Å; V114-V134 WeakPolarHBondContact CG1-O 3.49Å; V114-V134 PolarHBondContact O-N 2.86Å; V114-H136 HydrophobicContact CG1-CB 3.88Å; V114-C139 HydrophobicContact CG2-CB 4.07Å
115D98.8Very high97.6Very high5 Ų550.9 Ų50.93%0.02728%0.278CS..EExtended strand (participates in β ladder)trans-126.4140.3-169.9-58.2-44.8000110.4I95 C96 I117 A131 T132 N133 N150I95-D115 WeakPolarHBondContact CA-O 3.46Å; C96-D115 PolarHBondContact N-O 3.28Å; C96-D115 PolarHBondContact O-N 3.4Å; D115-I117 HydrophobicContact CB-CG1 4.16Å; D115-A131 HydrophobicContact CB-CB 4.3Å; D115-T132 CarbonylContact C-O 3.44Å; D115-T132 VanDerWaalsContact CA-O 3.25Å; D115-T132 WeakPolarHBondContact CA-O 3.43Å; D115-N133 WeakPolarHBondContact OD1-CA 3.41Å; D115-N133 PolarHBondContact OD1-N 2.96Å; D115-N150 PolarHBondContact OD2-ND2 3.49Å
116V98.8Very high97.8Very high0 Ų041.7 Ų41.70%023%0.233CC..EExtended strand (participates in β ladder)trans-80.1133.515864.40000107.6K6 A7 I93 S94 I95 A131 T132 V134K6-V116 HydrophobicContact CD-CG1 4.45Å; A7-V116 HydrophobicContact CB-CG1 4.31Å; A7-V116 HydrophobicContact CB-CG2 3.98Å; I93-V116 HydrophobicContact CG2-CG2 3.73Å; S94-V116 CarbonylContact O-C 3.58Å; S94-V116 WeakPolarHBondContact O-CA 3.27Å; I95-V116 HydrophobicContact CG1-CB 4.38Å; I95-V116 HydrophobicContact CG1-CG2 4.41Å; V116-A131 VanDerWaalsContact O-CA 3.28Å; V116-A131 WeakPolarHBondContact O-CA 3.45Å; V116-T132 HydrophobicContact CG1-CG2 3.8Å; V116-T132 PolarHBondContact N-O 3.27Å; V116-T132 PolarHBondContact O-N 2.94Å; V116-T132 VanDerWaalsContact O-N 3.09Å; V116-V134 HydrophobicContact CB-CG1 3.94Å; V116-V134 HydrophobicContact CB-CG2 4.4Å; V116-V134 HydrophobicContact CG1-CG1 3.67Å
117I98.8Very high98Very high9 Ų940.5 Ų40.55%0.04621%0.214CC..EExtended strand (participates in β ladder)trans-127.8126.4-174.4-50.1178.2000108.6P67 F83 I93 S94 C96 D115 N130 A131P67-I117 HydrophobicContact CB-CD1 4.08Å; P67-I117 HydrophobicContact CB-CG2 4.03Å; P67-I117 HydrophobicContact CG-CG2 3.77Å; F83-I117 HydrophobicContact CE2-CD1 4.16Å; F83-I117 HydrophobicContact CZ-CD1 3.73Å; I93-I117 VanDerWaalsContact CA-O 3.31Å; I93-I117 WeakPolarHBondContact CA-O 3.31Å; S94-I117 PolarHBondContact N-O 3.22Å; S94-I117 PolarHBondContact O-N 2.86Å; C96-I117 HydrophobicContact CB-CD1 3.85Å; D115-I117 HydrophobicContact CB-CG1 4.16Å; I117-N130 CarbonylContact C-O 3.28Å; I117-N130 VanDerWaalsContact CA-O 3.31Å; I117-N130 WeakPolarHBondContact CA-O 3.18Å; I117-A131 HydrophobicContact CG1-CB 3.93Å; I117-A131 HydrophobicContact CG2-CB 4.41Å
118L98.8Very high98.1Very high4 Ų436 Ų362%0.02119%0.192CC..EExtended strand (participates in β ladder)trans-106.6124169.616665.6000109.6A7 K8 A11 D92 I93 K120 N130A7-L118 HydrophobicContact CB-CB 3.63Å; K8-L118 HydrophobicContact CG-CD2 4.14Å; A11-L118 HydrophobicContact CB-CD2 4Å; D92-L118 HydrophobicContact CB-CD1 4.16Å; D92-L118 CarbonylContact O-C 3.5Å; D92-L118 WeakPolarHBondContact O-CA 3.48Å; D92-L118 WeakPolarHBondContact OD2-CD1 3.46Å; I93-L118 HydrophobicContact CD1-CD1 4.18Å; I93-L118 HydrophobicContact CG1-CB 4.26Å; I93-L118 HydrophobicContact CG1-CD1 3.62Å; L118-K120 HydrophobicContact CD2-CB 4.49Å; L118-K120 HydrophobicContact CD2-CD 4.47Å; L118-K120 HydrophobicContact CG-CB 4.26Å; L118-N130 HydrophobicContact CB-CB 4.38Å; L118-N130 PolarHBondContact N-O 3.42Å; L118-N130 PolarHBondContact O-N 2.88Å; L118-N130 PolarHBondContact O-ND2 2.9Å
119V98.8Very high98.2Very high45 Ų4536.4 Ų36.427%0.27319%0.194SC..EExtended strand (participates in β ladder)trans-88.4125.1163.8172.90000108.7W62 P67 D92 I127 S128W62-V119 HydrophobicContact CH2-CG1 4.11Å; W62-V119 HydrophobicContact CH2-CG2 4.19Å; W62-V119 HydrophobicContact CZ2-CB 4.34Å; W62-V119 HydrophobicContact CZ2-CG1 3.5Å; W62-V119 VanDerWaalsContact CZ2-CG1 3.5Å; W62-V119 HydrophobicContact CZ2-CG2 3.91Å; P67-V119 HydrophobicContact CG-CG2 3.6Å; D92-V119 WeakPolarHBondContact CB-O 3.47Å; D92-V119 PolarHBondContact O-N 2.87Å; V119-I127 HydrophobicContact CG1-CG2 4.34Å; V119-S128 CarbonylContact C-O 3.58Å; V119-S128 VanDerWaalsContact CA-O 3.28Å; V119-S128 WeakPolarHBondContact CA-O 3.44Å
120K98.5Very high98.2Very high68 Ų6834.5 Ų34.530%0.29618%0.179SC..EExtended strand (participates in β ladder)trans-133.7127.5-178.9-172.9173.2178-177.20111A11 L118 Y122 I127 S128A11-K120 HydrophobicContact CB-CD 4.1Å; L118-K120 HydrophobicContact CD2-CB 4.49Å; L118-K120 HydrophobicContact CD2-CD 4.47Å; L118-K120 HydrophobicContact CG-CB 4.26Å; K120-Y122 HydrophobicContact CD-CE1 3.68Å; K120-Y122 HydrophobicContact CG-CE1 3.97Å; K120-Y122 HydrophobicContact CG-CE2 4.46Å; K120-I127 CarbonylContact O-C 3.54Å; K120-I127 WeakPolarHBondContact O-CA 3.48Å; K120-S128 PolarHBondContact N-O 2.77Å; K120-S128 PolarHBondContact O-N 3.42Å; K120-S128 PolarHBondContact O-OG 2.92Å
121Q98.3Very high98.2Very high141 Ų14133.1 Ų33.166%0.65917%0.17SC*.EExtended strand (participates in β ladder)trans-95.3143.5169.1-172.6168.129.400109.8S126 I127Q121-S126 WeakPolarHBondContact CA-O 3.48Å; Q121-I127 HydrophobicContact CB-CG1 4.46Å; Q121-I127 HydrophobicContact CG-CG1 4.11Å
122Y97.8Very high98.3Very high37 Ų3733.3 Ų33.315%0.14517%0.172CC..  trans-115.9161.2-177.4-58.7-83.3000111.4L15 K120 D124 G125 S126 S128L15-Y122 HydrophobicContact CD1-CD1 4.41Å; L15-Y122 HydrophobicContact CD1-CE1 3.65Å; L15-Y122 HydrophobicContact CD2-CE1 4.17Å; L15-Y122 HydrophobicContact CD2-CE2 4.48Å; L15-Y122 HydrophobicContact CG-CE1 4.21Å; K120-Y122 HydrophobicContact CD-CE1 3.68Å; K120-Y122 HydrophobicContact CG-CE1 3.97Å; K120-Y122 HydrophobicContact CG-CE2 4.46Å; Y122-D124 WeakPolarHBondContact CB-OD1 3.29Å; Y122-D124 PolarHBondContact O-N 2.95Å; Y122-G125 PolarHBondContact O-N 3.05Å; Y122-S126 WeakPolarHBondContact CD2-O 3.42Å; Y122-S126 PolarHBondContact N-O 2.77Å; Y122-S128 WeakPolarHBondContact CE2-OG 3.49Å; Y122-S128 PolarHBondContact OH-OG 3.2Å
123E96.6Very high98.3Very high208 Ų20834.8 Ų34.897%0.97218%0.18SC*.THydrogen-bonded Turntrans-61.5-28.6180-64.5-179.8174.300113.2G125E123-G125 PolarHBondContact O-N 2.75Å
124D94.7Very high98.2Very high88 Ų8834.7 Ų34.747%0.47118%0.18SC..THydrogen-bonded Turntrans-76.84.2176.274.1-10.2000113.3R18 Y122 S126 P159R18-D124 IonicContact NH1-OD2 3Å; Y122-D124 WeakPolarHBondContact CB-OD1 3.29Å; Y122-D124 PolarHBondContact O-N 2.95Å; D124-S126 VanDerWaalsContact C-N 3.27Å; D124-S126 PolarHBondContact O-N 3.32Å; D124-S126 WeakPolarHBondContact OD1-CA 3.45Å; D124-S126 WeakPolarHBondContact OD1-CB 3.35Å; D124-S126 PolarHBondContact OD1-N 2.83Å; D124-S126 PolarHBondContact OD1-OG 2.96Å; D124-S126 PolarHBondContact OD2-OG 2.79Å; D124-P159 VanDerWaalsContact O-CG 3.23Å; D124-P159 WeakPolarHBondContact O-CG 3.42Å
125G96.9Very high98.1Very high32 Ų3238.8 Ų38.833%0.3321%0.209SC..SBendtrans81.4-1.6-176.400000114.1Y122 E123Y122-G125 PolarHBondContact O-N 3.05Å; E123-G125 PolarHBondContact O-N 2.75Å
126S98.3Very high98Very high0 Ų039.7 Ų39.70%021%0.213CC..  trans-64.4149.2174-56.50000110.8R18 Q121 Y122 D124 C157R18-S126 PolarHBondContact NH1-OG 3.37Å; Q121-S126 WeakPolarHBondContact CA-O 3.48Å; Y122-S126 WeakPolarHBondContact CD2-O 3.42Å; Y122-S126 PolarHBondContact N-O 2.77Å; D124-S126 VanDerWaalsContact C-N 3.27Å; D124-S126 PolarHBondContact O-N 3.32Å; D124-S126 WeakPolarHBondContact OD1-CA 3.45Å; D124-S126 WeakPolarHBondContact OD1-CB 3.35Å; D124-S126 PolarHBondContact OD1-N 2.83Å; D124-S126 PolarHBondContact OD1-OG 2.96Å; D124-S126 PolarHBondContact OD2-OG 2.79Å; S126-C157 CarbonylContact C-O 3.57Å; S126-C157 WeakPolarHBondContact CA-O 3.42Å; S126-C157 VanDerWaalsContact CB-O 3.32Å; S126-C157 WeakPolarHBondContact CB-O 3.12Å
127I98.6Very high97.9Very high23 Ų2345.3 Ų45.312%0.11825%0.249CC..EExtended strand (participates in β ladder)trans-128.4138.3172-52.3172.3000108.3W62 V119 K120 Q121 C157W62-I127 HydrophobicContact CD2-CB 4.14Å; W62-I127 HydrophobicContact CD2-CG2 3.59Å; W62-I127 VanDerWaalsContact CE2-CG2 3.44Å; W62-I127 HydrophobicContact CE3-CB 4.26Å; W62-I127 HydrophobicContact CE3-CG2 3.89Å; W62-I127 HydrophobicContact CG-CB 4.44Å; W62-I127 HydrophobicContact CG-CD1 4.2Å; W62-I127 HydrophobicContact CG-CG2 4.16Å; W62-I127 HydrophobicContact CH2-CG2 3.93Å; W62-I127 HydrophobicContact CZ2-CG2 3.66Å; W62-I127 HydrophobicContact CZ3-CG2 4.05Å; V119-I127 HydrophobicContact CG1-CG2 4.34Å; K120-I127 CarbonylContact O-C 3.54Å; K120-I127 WeakPolarHBondContact O-CA 3.48Å; Q121-I127 HydrophobicContact CB-CG1 4.46Å; Q121-I127 HydrophobicContact CG-CG1 4.11Å; I127-C157 PolarHBondContact N-O 3.26Å; I127-C157 PolarHBondContact O-N 2.91Å
128S98.8Very high97.7Very high0 Ų048.5 Ų48.50%027%0.273CS..EExtended strand (participates in β ladder)trans-132.1148.5-178.5600000113.1V119 K120 Y122 N130 C155V119-S128 CarbonylContact C-O 3.58Å; V119-S128 VanDerWaalsContact CA-O 3.28Å; V119-S128 WeakPolarHBondContact CA-O 3.44Å; K120-S128 PolarHBondContact N-O 2.77Å; K120-S128 PolarHBondContact O-N 3.42Å; K120-S128 PolarHBondContact O-OG 2.92Å; Y122-S128 WeakPolarHBondContact CE2-OG 3.49Å; Y122-S128 PolarHBondContact OH-OG 3.2Å; S128-N130 PolarHBondContact OG-ND2 3.27Å; S128-N130 PolarHBondContact OG-OD1 3.35Å; S128-C155 CarbonylContact C-O 3.4Å; S128-C155 WeakPolarHBondContact CA-O 3.49Å; S128-C155 WeakPolarHBondContact CB-O 3.2Å
129S98.8Very high97.7Very high11 Ų1148.5 Ų48.58%0.07727%0.273CS..EExtended strand (participates in β ladder)trans-103.9131.7157.552.50000108.7G154 C155S129-G154 WeakPolarHBondContact O-CA 3.31Å; S129-C155 PolarHBondContact N-O 3.17Å; S129-C155 PolarHBondContact O-N 2.8Å; S129-C155 VanDerWaalsContact O-N 3.12Å; S129-C155 PolarHBondContact OG-N 3.17Å
130N98.8Very high97.6Very high0 Ų049.7 Ų49.70%028%0.281CS..EExtended strand (participates in β ladder)trans-130.1112.3-172.6-50.2-82.2000107.9V10 A11 I117 L118 S128V10-N130 HydrophobicContact CB-CB 4.35Å; V10-N130 HydrophobicContact CG1-CB 3.93Å; A11-N130 WeakPolarHBondContact CA-OD1 3.34Å; A11-N130 HydrophobicContact CB-CB 4.07Å; I117-N130 CarbonylContact C-O 3.28Å; I117-N130 VanDerWaalsContact CA-O 3.31Å; I117-N130 WeakPolarHBondContact CA-O 3.18Å; L118-N130 HydrophobicContact CB-CB 4.38Å; L118-N130 PolarHBondContact N-O 3.42Å; L118-N130 PolarHBondContact O-N 2.88Å; L118-N130 PolarHBondContact O-ND2 2.9Å; S128-N130 PolarHBondContact OG-ND2 3.27Å; S128-N130 PolarHBondContact OG-OD1 3.35Å
131A98.8Very high97.4Very high10 Ų1051 Ų518%0.08330%0.297CS..EExtended strand (participates in β ladder)trans-127.7147.6-168.600000112.9V10 D115 V116 I117 C153V10-A131 WeakPolarHBondContact CG1-O 3.45Å; D115-A131 HydrophobicContact CB-CB 4.3Å; V116-A131 VanDerWaalsContact O-CA 3.28Å; V116-A131 WeakPolarHBondContact O-CA 3.45Å; I117-A131 HydrophobicContact CG1-CB 3.93Å; I117-A131 HydrophobicContact CG2-CB 4.41Å; A131-C153 PolarHBondContact N-O 3.49Å; A131-C153 PolarHBondContact O-N 2.71Å
132T98.8Very high97.1Very high9 Ų947.6 Ų47.66%0.05528%0.281CS..EExtended strand (participates in β ladder)trans-155.1151.1168.2-173.60000111K6 V10 D115 V116 N150K6-T132 HydrophobicContact CD-CG2 3.74Å; K6-T132 HydrophobicContact CG-CG2 3.75Å; V10-T132 HydrophobicContact CG2-CG2 3.47Å; V10-T132 VanDerWaalsContact CG2-CG2 3.47Å; D115-T132 CarbonylContact C-O 3.44Å; D115-T132 VanDerWaalsContact CA-O 3.25Å; D115-T132 WeakPolarHBondContact CA-O 3.43Å; V116-T132 HydrophobicContact CG1-CG2 3.8Å; V116-T132 PolarHBondContact N-O 3.27Å; V116-T132 PolarHBondContact O-N 2.94Å; V116-T132 VanDerWaalsContact O-N 3.09Å; T132-N150 CarbonylContact C-O 3.4Å; T132-N150 PolarHBondContact OG1-O 3.12Å
133N98.5Very high96.9Very high31 Ų3152 Ų5217%0.16631%0.314CS..EExtended strand (participates in β ladder)trans-59.4143.4-176.172.288.4000112.4K6 V114 D115 F149 N150K6-N133 PolarHBondContact NZ-O 3.26Å; V114-N133 CarbonylContact O-C 3.53Å; V114-N133 VanDerWaalsContact O-CA 3.27Å; V114-N133 WeakPolarHBondContact O-CA 3.33Å; D115-N133 WeakPolarHBondContact OD1-CA 3.41Å; D115-N133 PolarHBondContact OD1-N 2.96Å; N133-F149 HydrophobicContact CB-CB 4.18Å; N133-F149 HydrophobicContact CB-CD1 4.18Å; N133-N150 VanDerWaalsContact CB-O 3.29Å; N133-N150 WeakPolarHBondContact CB-O 3.48Å; N133-N150 PolarHBondContact N-O 3.46Å; N133-N150 PolarHBondContact ND2-O 3.21Å
134V98.2Very high96.7Very high6 Ų645.3 Ų45.34%0.03630%0.301CS..  trans-140.7159.5170.5-65.40000109.7M1 Y3 K6 I95 V114 V116M1-V134 HydrophobicContact SD-CB 4.44Å; M1-V134 HydrophobicContact SD-CG1 4.36Å; Y3-V134 HydrophobicContact CD1-CB 4.43Å; Y3-V134 HydrophobicContact CD1-CG1 3.92Å; Y3-V134 HydrophobicContact CE1-CB 3.93Å; Y3-V134 HydrophobicContact CE1-CG1 3.9Å; Y3-V134 HydrophobicContact CE1-CG2 4.22Å; K6-V134 HydrophobicContact CD-CG1 4.09Å; I95-V134 HydrophobicContact CD1-CG2 4.42Å; I95-V134 HydrophobicContact CG2-CG2 3.9Å; V114-V134 HydrophobicContact CG1-CG2 4.08Å; V114-V134 WeakPolarHBondContact CG1-O 3.49Å; V114-V134 PolarHBondContact O-N 2.86Å; V116-V134 HydrophobicContact CB-CG1 3.94Å; V116-V134 HydrophobicContact CB-CG2 4.4Å; V116-V134 HydrophobicContact CG1-CG1 3.67Å
135S96.9Very high96.9Very high87 Ų8744.3 Ų44.361%0.60829%0.291SS*.  trans-90.1133166-640000109.2Y3Y3-S135 PolarHBondContact OH-O 3.46Å
136H96.8Very high96.9Very high24 Ų2445 Ų4511%0.11129%0.289CS..  trans-128.4126.3177.4-166.2-89.5000110.2L86 E87 I95 V114 S138 C139L86-H136 HydrophobicContact CD1-CB 4.2Å; E87-H136 IonicContact OE2-CD2 3.75Å; E87-H136 IonicContact OE2-NE2 2.86Å; E87-H136 PolarHBondContact OE2-NE2 2.88Å; I95-H136 HydrophobicContact CG2-CB 4.39Å; V114-H136 HydrophobicContact CG1-CB 3.88Å; H136-S138 PolarHBondContact CE1-OG 2.8Å; H136-S138 PolarHBondContact ND1-N 3.29Å; H136-S138 PolarHBondContact ND1-OG 3.03Å; H136-S138 PolarHBondContact O-N 2.98Å; H136-C139 CarbonylContact O-C 3.57Å; H136-C139 PolarHBondContact O-N 3.25Å
137P95.4Very high97Very high118 Ų11846.7 Ų46.777%0.76630%0.295SS*.THydrogen-bonded Turntrans-59-30.7-174.6-26.434.8000114.8C139P137-C139 VanDerWaalsContact C-N 3.26Å; P137-C139 PolarHBondContact O-N 2.88Å
138S95.7Very high96.9Very high77 Ų7745.6 Ų45.654%0.53829%0.29SS..THydrogen-bonded Turntrans-77.3-9.1177.775.30000114H136H136-S138 PolarHBondContact CE1-OG 2.8Å; H136-S138 PolarHBondContact ND1-N 3.29Å; H136-S138 PolarHBondContact ND1-OG 3.03Å; H136-S138 PolarHBondContact O-N 2.98Å
139C97.3Very high96.9Very high3 Ų349.4 Ų49.42%0.0231%0.307CS..SBendtrans-134.965.4-179.6-166.10000111.7L86 R97 V114 H136 P137 R147L86-C139 HydrophobicContact CD1-CB 3.53Å; L86-C139 HydrophobicContact CD2-CB 4.12Å; R97-C139 WeakPolarHBondContact CD-SG 3.29Å; V114-C139 HydrophobicContact CG2-CB 4.07Å; H136-C139 CarbonylContact O-C 3.57Å; H136-C139 PolarHBondContact O-N 3.25Å; P137-C139 VanDerWaalsContact C-N 3.26Å; P137-C139 PolarHBondContact O-N 2.88Å; C139-R147 PolarHBondContact O-NH2 2.91Å
140P96.9Very high96.9Very high70 Ų7049.8 Ų49.846%0.45531%0.308SS..PPolyproline II helixtrans-63.4167.6169.831.6-35.9000110.6H142 R147P140-H142 PolarHBondContact O-CD2 2.87Å; P140-H142 PolarHBondContact O-N 3.44Å; P140-H142 PolarHBondContact O-NE2 3.39Å; P140-R147 PolarHBondContact O-NH2 2.8Å
141P95.4Very high96.9Very high97 Ų9750.9 Ų50.963%0.6331%0.313SS*.PPolyproline II helixtrans-52126.5173-27.135.9000111.7
142H91.7Very high96.9Very high68 Ų6850.8 Ų50.832%0.31531%0.312SS..PPolyproline II helixtrans-99.9137.1-176.2-75.8-82.4000111.6R97 D112 P140 G144 Y145R97-H142 PolarHBondContact NH2-CD2 2.84Å; R97-H142 VanDerWaalsContact NH2-CD2 3.29Å; D112-H142 IonicContact OD2-CD2 2.79Å; P140-H142 PolarHBondContact O-CD2 2.87Å; P140-H142 PolarHBondContact O-N 3.44Å; P140-H142 PolarHBondContact O-NE2 3.39Å; H142-G144 PolarHBondContact O-N 3.34Å; H142-Y145 HydrophobicContact CB-CD2 4.04Å; H142-Y145 PolarHBondContact O-N 3Å
143P92.4Very high96.9Very high129 Ų12950.9 Ų50.984%0.83831%0.313SS*.THydrogen-bonded Turntrans-53.8136.6168.2-2433.7000111.2
144G93.7Very high96.9Very high69 Ų6949.9 Ų49.971%0.71131%0.31SS*.THydrogen-bonded Turntrans91.7-5.9-178.500000115.3H142H142-G144 PolarHBondContact O-N 3.34Å
145Y97.8Very high96.9Very high67 Ų6749.8 Ų49.826%0.26331%0.309SS..SBendtrans-127.2141.1172.8-57-80000110.6V99 P110 D112 H142V99-Y145 HydrophobicContact CG1-CD1 3.9Å; V99-Y145 HydrophobicContact CG1-CE1 3.27Å; P110-Y145 HydrophobicContact CB-CD1 3.73Å; P110-Y145 HydrophobicContact CB-CE1 3.95Å; D112-Y145 HydrophobicContact CB-CG 4.28Å; H142-Y145 HydrophobicContact CB-CD2 4.04Å; H142-Y145 PolarHBondContact O-N 3Å
146V98.3Very high97Very high46 Ų4645.6 Ų45.628%0.27928%0.28SS..EExtended strand (participates in β ladder)trans-82.7126163179.90000107.4P110 R111 D112 G148P110-V146 PolarHBondContact O-N 2.81Å; R111-V146 WeakPolarHBondContact CA-O 3.43Å; R111-V146 WeakPolarHBondContact CB-O 3.33Å; R111-V146 HydrophobicContact CG-CB 4.19Å; R111-V146 WeakPolarHBondContact CG-O 3.32Å; D112-V146 PolarHBondContact N-O 2.75Å; D112-V146 VanDerWaalsContact N-O 3.09Å; V146-G148 PolarHBondContact O-N 2.83Å
147R98.5Very high97.1Very high35 Ų3544.5 Ų44.513%0.13228%0.275CS..EExtended strand (participates in β ladder)trans-68.9113.9172.8175.856.657.496.82108.8D112 C139 P140 F149D112-R147 WeakPolarHBondContact O-CD 3.46Å; D112-R147 IonicContact OD1-CZ 3.63Å; D112-R147 IonicContact OD1-NE 3.75Å; D112-R147 PolarHBondContact OD1-NE 2.8Å; D112-R147 IonicContact OD1-NH2 2.74Å; D112-R147 IonicContact OD2-NH2 3.96Å; D112-R147 PolarHBondContact OD2-NH2 2.83Å; C139-R147 PolarHBondContact O-NH2 2.91Å; P140-R147 PolarHBondContact O-NH2 2.8Å; R147-F149 HydrophobicContact CG-CE1 4.05Å; R147-F149 HydrophobicContact CG-CE2 4.34Å; R147-F149 HydrophobicContact CG-CZ 3.83Å
148G98.4Very high97.2Very high1 Ų139.3 Ų39.31%0.0124%0.241CC..  trans-93.616516900000111.5D112 F113 V146 D176D112-G148 PolarHBondContact O-N 2.87Å; F113-G148 VanDerWaalsContact CD1-C 3.4Å; F113-G148 VanDerWaalsContact CE1-CA 3.42Å; V146-G148 PolarHBondContact O-N 2.83Å; G148-D176 CarbonylContact C-O 3.53Å; G148-D176 VanDerWaalsContact CA-O 3.27Å; G148-D176 WeakPolarHBondContact CA-O 3.45Å
149F98.6Very high97.3Very high80 Ų8037.8 Ų37.835%0.35123%0.229SC..EExtended strand (participates in β ladder)trans-128.2113.2-179.5-55.2-87000109.5N133 R147 D176N133-F149 HydrophobicContact CB-CB 4.18Å; N133-F149 HydrophobicContact CB-CD1 4.18Å; R147-F149 HydrophobicContact CG-CE1 4.05Å; R147-F149 HydrophobicContact CG-CE2 4.34Å; R147-F149 HydrophobicContact CG-CZ 3.83Å; F149-D176 HydrophobicContact CB-CB 4.28Å; F149-D176 PolarHBondContact N-O 3.23Å; F149-D176 PolarHBondContact O-N 3.25Å
150N98.7Very high97.4Very high19 Ų1939.3 Ų39.310%0.10224%0.237CC..EExtended strand (participates in β ladder)trans-79.3122.3165.2-71.5-46.9000108.8F113 D115 T132 N133 T175F113-N150 WeakPolarHBondContact CD1-ND2 3.37Å; D115-N150 PolarHBondContact OD2-ND2 3.49Å; T132-N150 CarbonylContact C-O 3.4Å; T132-N150 PolarHBondContact OG1-O 3.12Å; N133-N150 VanDerWaalsContact CB-O 3.29Å; N133-N150 WeakPolarHBondContact CB-O 3.48Å; N133-N150 PolarHBondContact N-O 3.46Å; N133-N150 PolarHBondContact ND2-O 3.21Å; N150-T175 WeakPolarHBondContact OD1-CB 3.44Å; N150-T175 WeakPolarHBondContact OD1-CG2 3.19Å; N150-T175 PolarHBondContact OD1-OG1 2.81Å
151H98.5Very high97.3Very high23 Ų2342 Ų4211%0.10626%0.257CS..  trans-79.7-162.1161.4-60.4-84.7000108.7E42 F43 C153 Q174E42-H151 HydrophobicContact CB-CB 3.82Å; E42-H151 VanDerWaalsContact CB-ND1 3.35Å; E42-H151 WeakPolarHBondContact CB-ND1 3.36Å; E42-H151 HydrophobicContact CG-CB 4Å; E42-H151 IonicContact OE2-ND1 3.35Å; F43-H151 WeakPolarHBondContact CB-NE2 3.48Å; F43-H151 AromaticContact CD1-CD2 3.35Å; F43-H151 WeakPolarHBondContact CD1-CD2 3.31Å; F43-H151 AromaticContact CD1-NE2 3.62Å; F43-H151 AromaticContact CE1-CD2 3.93Å; F43-H151 AromaticContact CG-CD2 3.83Å; F43-H151 AromaticContact CG-NE2 3.59Å; H151-C153 WeakPolarHBondContact O-CB 3.47Å; H151-C153 PolarHBondContact O-N 2.95Å; H151-Q174 HydrophobicContact CB-CB 4.18Å; H151-Q174 HydrophobicContact CB-CG 3.83Å; H151-Q174 WeakPolarHBondContact CB-O 3.48Å; H151-Q174 PolarHBondContact N-O 2.98Å
152A98.4Very high97.4Very high7 Ų740.9 Ų40.96%0.05826%0.264CS..SBendtrans-53.8106.9-178.600000111.1V10 C13 L14 Q174V10-A152 HydrophobicContact CG1-CB 4.07Å; V10-A152 HydrophobicContact CG2-CB 4.48Å; C13-A152 HydrophobicContact CB-CB 4.27Å; L14-A152 HydrophobicContact CD2-CB 3.79Å; A152-Q174 WeakPolarHBondContact O-CB 3.33Å; A152-Q174 PolarHBondContact O-OE1 3.39Å; A152-Q174 VanDerWaalsContact O-OE1 3.07Å
153C98.7Very high97.6Very high12 Ų1241.3 Ų41.38%0.08127%0.266CS..EExtended strand (participates in β ladder)trans-142.4167.5-174.479.10000110.6A131 H151 F172A131-C153 PolarHBondContact N-O 3.49Å; A131-C153 PolarHBondContact O-N 2.71Å; H151-C153 WeakPolarHBondContact O-CB 3.47Å; H151-C153 PolarHBondContact O-N 2.95Å; C153-F172 WeakPolarHBondContact CA-O 3.27Å; C153-F172 WeakPolarHBondContact CB-O 3.4Å
154G98.5Very high97.7Very high10 Ų1039.9 Ų39.910%0.10326%0.257CS..EExtended strand (participates in β ladder)trans156.5-172.1-17600000115.1S129 S171 F172S129-G154 WeakPolarHBondContact O-CA 3.31Å; G154-S171 WeakPolarHBondContact O-CA 3.31Å; G154-F172 PolarHBondContact N-O 2.87Å; G154-F172 VanDerWaalsContact N-O 3.12Å; G154-F172 PolarHBondContact O-N 3.42Å
155C98.7Very high97.9Very high3 Ų339.9 Ų39.92%0.0225%0.245CC..EExtended strand (participates in β ladder)trans-134.7144.5174.2-66.50000109.5L65 S128 S129 S170L65-C155 HydrophobicContact CD1-CB 4.39Å; S128-C155 CarbonylContact C-O 3.4Å; S128-C155 WeakPolarHBondContact CA-O 3.49Å; S128-C155 WeakPolarHBondContact CB-O 3.2Å; S129-C155 PolarHBondContact N-O 3.17Å; S129-C155 PolarHBondContact O-N 2.8Å; S129-C155 VanDerWaalsContact O-N 3.12Å; S129-C155 PolarHBondContact OG-N 3.17Å; C155-S170 CarbonylContact C-O 3.38Å; C155-S170 WeakPolarHBondContact CA-O 3.44Å
156I98.8Very high97.9Very high0 Ų040.1 Ų40.10%025%0.248CC..EExtended strand (participates in β ladder)trans-123.4117173.6-47.8178.1000107.6L15 R18 I158 V169 S170 F172L15-I156 HydrophobicContact CD2-CD1 4.5Å; R18-I156 HydrophobicContact CB-CD1 4.23Å; I156-I158 HydrophobicContact CB-CG1 4.38Å; I156-I158 HydrophobicContact CG2-CD1 4.22Å; I156-I158 HydrophobicContact CG2-CG1 3.7Å; I156-V169 WeakPolarHBondContact O-CA 3.43Å; I156-S170 PolarHBondContact N-O 2.93Å; I156-S170 PolarHBondContact O-N 2.89Å; I156-F172 HydrophobicContact CD1-CE2 3.93Å; I156-F172 HydrophobicContact CG1-CE2 4.28Å
157C98.5Very high97.9Very high1 Ų138 Ų381%0.00724%0.235CC..EExtended strand (participates in β ladder)trans-86.6124.9167.3-680000108.9L65 S126 I127 T167L65-C157 WeakPolarHBondContact CD1-SG 3.5Å; S126-C157 CarbonylContact C-O 3.57Å; S126-C157 WeakPolarHBondContact CA-O 3.42Å; S126-C157 VanDerWaalsContact CB-O 3.32Å; S126-C157 WeakPolarHBondContact CB-O 3.12Å; I127-C157 PolarHBondContact N-O 3.26Å; I127-C157 PolarHBondContact O-N 2.91Å; C157-T167 HydrophobicContact CB-CG2 4.08Å
158I98.6Very high97.9Very high8 Ų839.3 Ų39.34%0.04124%0.242CC..EExtended strand (participates in β ladder)trans-125.5118.3-171-55.9159.6000108R18 I156 T167 Q168R18-I158 VanDerWaalsContact CZ-CG1 3.49Å; R18-I158 VanDerWaalsContact NE-CD1 3.28Å; I156-I158 HydrophobicContact CB-CG1 4.38Å; I156-I158 HydrophobicContact CG2-CD1 4.22Å; I156-I158 HydrophobicContact CG2-CG1 3.7Å; I158-T167 WeakPolarHBondContact O-CG2 3.33Å; I158-Q168 HydrophobicContact CB-CB 4.07Å; I158-Q168 WeakPolarHBondContact CB-O 3.35Å; I158-Q168 HydrophobicContact CD1-CG 4.05Å; I158-Q168 PolarHBondContact N-O 3.24Å; I158-Q168 PolarHBondContact O-N 3.18Å
159P98.1Very high97.9Very high45 Ų4539.2 Ų39.229%0.29224%0.242SC..EExtended strand (participates in β ladder)trans-64.5142.7174.326.9-32.9000110.9P58 D124P58-P159 HydrophobicContact CG-CB 3.92Å; D124-P159 VanDerWaalsContact O-CG 3.23Å; D124-P159 WeakPolarHBondContact O-CG 3.42Å
160I97.8Very high97.9Very high36 Ų3635.4 Ų35.419%0.18523%0.225CC..PPolyproline II helixtrans-101.8119176.6-56.8179.2000108.7I53 G162 E163 K166 Q168I53-I160 HydrophobicContact CD1-CD1 4.21Å; I53-I160 HydrophobicContact CG1-CD1 4.19Å; I53-I160 HydrophobicContact CG2-CD1 3.91Å; I160-G162 PolarHBondContact O-N 2.93Å; I160-E163 HydrophobicContact CB-CB 4.16Å; I160-E163 HydrophobicContact CG2-CB 3.93Å; I160-E163 HydrophobicContact CG2-CG 4.24Å; I160-E163 PolarHBondContact O-N 2.98Å; I160-K166 HydrophobicContact CD1-CB 4Å; I160-Q168 HydrophobicContact CD1-CB 4.2Å; I160-Q168 HydrophobicContact CG1-CB 4.19Å
161S96.1Very high97.9Very high126 Ų12634.5 Ų34.588%0.88122%0.22SC*.THydrogen-bonded Turntrans-58.2124.9179.8-178.60000111.1E163S161-E163 VanDerWaalsContact C-N 3.27Å; S161-E163 PolarHBondContact O-N 3.19Å
162G96.4Very high97.9Very high74 Ų7433.4 Ų33.476%0.76322%0.215SC*.THydrogen-bonded Turntrans81.2-4.4-178.600000115.2I160I160-G162 PolarHBondContact O-N 2.93Å
163E97.1Very high97.9Very high76 Ų7634.5 Ų34.536%0.35522%0.219SC..  trans-128.366.8-179.4-61-165.3-108.300111.8I160 S161 S165 K166I160-E163 HydrophobicContact CB-CB 4.16Å; I160-E163 HydrophobicContact CG2-CB 3.93Å; I160-E163 HydrophobicContact CG2-CG 4.24Å; I160-E163 PolarHBondContact O-N 2.98Å; S161-E163 VanDerWaalsContact C-N 3.27Å; S161-E163 PolarHBondContact O-N 3.19Å; E163-S165 PolarHBondContact O-N 2.87Å; E163-K166 HydrophobicContact CB-CB 4.31Å; E163-K166 PolarHBondContact O-N 2.84Å; E163-K166 VanDerWaalsContact O-O 3.07Å; E163-K166 VanDerWaalsContact OE2-CD 3.24Å; E163-K166 WeakPolarHBondContact OE2-CD 3.42Å; E163-K166 WeakPolarHBondContact OE2-CE 3.44Å; E163-K166 IonicContact OE2-NZ 2.91Å; E163-K166 PolarHBondContact OE2-NZ 3.43Å
164P94.6Very high97.9Very high100 Ų10034 Ų3465%0.64922%0.215SC*.THydrogen-bonded Turntrans-63.6-15.8-17326.8-36.2000114.4T57 K166T57-P164 WeakPolarHBondContact CA-O 3.48Å; P164-K166 VanDerWaalsContact C-N 3.34Å
165S96.3Very high97.9Very high68 Ų6834.1 Ų34.148%0.47621%0.214SC..THydrogen-bonded Turntrans-90.34.1176.862.60000113.8S55 G56 E163S55-S165 CarbonylContact C-O 3.55Å; G56-S165 CarbonylContact C-O 3.6Å; G56-S165 WeakPolarHBondContact CA-O 3.5Å; G56-S165 PolarHBondContact N-O 3.16Å; G56-S165 CarbonylContact O-C 3.58Å; E163-S165 PolarHBondContact O-N 2.87Å
166K97.9Very high97.9Very high73 Ų7336.5 Ų36.532%0.31723%0.227SC..  trans-130.2146177.4-61.6-172.8-167.4161.30110.9I53 V54 G56 I160 E163 P164I53-K166 HydrophobicContact CG2-CB 3.98Å; I53-K166 HydrophobicContact CG2-CD 4.02Å; I53-K166 HydrophobicContact CG2-CG 4.39Å; V54-K166 WeakPolarHBondContact O-CA 3.49Å; G56-K166 CarbonylContact O-C 3.56Å; G56-K166 VanDerWaalsContact O-C 3.28Å; G56-K166 WeakPolarHBondContact O-CA 3.32Å; G56-K166 PolarHBondContact O-N 3.16Å; I160-K166 HydrophobicContact CD1-CB 4Å; E163-K166 HydrophobicContact CB-CB 4.31Å; E163-K166 PolarHBondContact O-N 2.84Å; E163-K166 VanDerWaalsContact O-O 3.07Å; E163-K166 VanDerWaalsContact OE2-CD 3.24Å; E163-K166 WeakPolarHBondContact OE2-CD 3.42Å; E163-K166 WeakPolarHBondContact OE2-CE 3.44Å; E163-K166 IonicContact OE2-NZ 2.91Å; E163-K166 PolarHBondContact OE2-NZ 3.43Å; P164-K166 VanDerWaalsContact C-N 3.34Å
167T98.6Very high97.8Very high0 Ų037.1 Ų37.10%023%0.23CC..EExtended strand (participates in β ladder)trans-133130.3179.3-57.30000108.7V54 G56 T57 P58 V61 C157 I158 V169V54-T167 PolarHBondContact N-O 2.86Å; V54-T167 PolarHBondContact O-N 3.45Å; G56-T167 PolarHBondContact O-N 3.38Å; G56-T167 PolarHBondContact O-OG1 3.49Å; T57-T167 VanDerWaalsContact C-OG1 3.23Å; T57-T167 PolarHBondContact O-OG1 3.11Å; P58-T167 VanDerWaalsContact CA-OG1 3.31Å; P58-T167 WeakPolarHBondContact CA-OG1 3.36Å; P58-T167 HydrophobicContact CB-CG2 4.47Å; P58-T167 VanDerWaalsContact N-OG1 3.08Å; V61-T167 HydrophobicContact CB-CG2 4.24Å; V61-T167 HydrophobicContact CG1-CG2 4.27Å; V61-T167 HydrophobicContact CG2-CG2 4.42Å; C157-T167 HydrophobicContact CB-CG2 4.08Å; I158-T167 WeakPolarHBondContact O-CG2 3.33Å; T167-V169 HydrophobicContact CG2-CG2 4.46Å
168Q98.6Very high97.6Very high63 Ų6337.8 Ų37.829%0.29424%0.237SC..EExtended strand (participates in β ladder)trans-79.1133.2168.5174.4-178.9-9.800108.5I158 I160I158-Q168 HydrophobicContact CB-CB 4.07Å; I158-Q168 WeakPolarHBondContact CB-O 3.35Å; I158-Q168 HydrophobicContact CD1-CG 4.05Å; I158-Q168 PolarHBondContact N-O 3.24Å; I158-Q168 PolarHBondContact O-N 3.18Å; I160-Q168 HydrophobicContact CD1-CB 4.2Å; I160-Q168 HydrophobicContact CG1-CB 4.19Å
169V98.8Very high97.4Very high0 Ų040.2 Ų40.20%026%0.264CS..EExtended strand (participates in β ladder)trans-117.9122.3176179.60000108.5G52 V54 V61 L65 I156 T167 Y198 L201G52-V169 PolarHBondContact N-O 3Å; G52-V169 VanDerWaalsContact N-O 3.11Å; G52-V169 PolarHBondContact O-N 3.43Å; V54-V169 HydrophobicContact CB-CG2 4.43Å; V54-V169 HydrophobicContact CG2-CB 4.46Å; V54-V169 HydrophobicContact CG2-CG2 3.83Å; V61-V169 HydrophobicContact CG1-CG2 3.6Å; L65-V169 HydrophobicContact CD1-CG1 4.13Å; L65-V169 HydrophobicContact CD1-CG2 4.45Å; I156-V169 WeakPolarHBondContact O-CA 3.43Å; T167-V169 HydrophobicContact CG2-CG2 4.46Å; V169-Y198 HydrophobicContact CB-CE1 3.96Å; V169-Y198 HydrophobicContact CG1-CE1 4.14Å; V169-Y198 PolarHBondContact O-OH 2.84Å; V169-L201 HydrophobicContact CG1-CD2 4.39Å; V169-L201 HydrophobicContact CG2-CD2 4.33Å
170S98.6Very high97.1Very high0 Ų046.5 Ų46.50%029%0.294CS..EExtended strand (participates in β ladder)trans-107.1122.1167.1-63.30000109.1G50 C155 I156G50-S170 CarbonylContact O-C 3.48Å; G50-S170 VanDerWaalsContact O-CA 3.29Å; G50-S170 WeakPolarHBondContact O-CA 3.23Å; C155-S170 CarbonylContact C-O 3.38Å; C155-S170 WeakPolarHBondContact CA-O 3.44Å; I156-S170 PolarHBondContact N-O 2.93Å; I156-S170 PolarHBondContact O-N 2.89Å
171S98.6Very high97Very high0 Ų046.6 Ų46.60%030%0.295CS..EExtended strand (participates in β ladder)trans-118.4146175.669.30000111.5K49 G50 G154 Y198K49-S171 CarbonylContact C-O 3.54Å; K49-S171 WeakPolarHBondContact CA-O 3.38Å; G50-S171 PolarHBondContact N-O 2.61Å; G50-S171 PolarHBondContact O-N 3.34Å; G154-S171 WeakPolarHBondContact O-CA 3.31Å; S171-Y198 PolarHBondContact N-OH 2.96Å; S171-Y198 WeakPolarHBondContact OG-CE2 3.14Å; S171-Y198 PolarHBondContact OG-OH 3.11Å
172F98.8Very high96.9Very high0 Ų044 Ų440%028%0.275CS..EExtended strand (participates in β ladder)trans-129.7115.8-176.1-56.6-89.6000109.5L14 Y17 R18 Y48 K49 C153 G154 I156L14-F172 HydrophobicContact CD1-CB 3.74Å; L14-F172 HydrophobicContact CD1-CD2 3.21Å; L14-F172 HydrophobicContact CD1-CE2 3.96Å; L14-F172 HydrophobicContact CD1-CG 3.67Å; Y17-F172 AromaticContact CD2-CD1 3.93Å; Y17-F172 HydrophobicContact CD2-CD1 3.93Å; Y17-F172 HydrophobicContact CD2-CE1 4.41Å; Y17-F172 HydrophobicContact CD2-CG 4.42Å; Y17-F172 HydrophobicContact CG-CD1 4.32Å; Y17-F172 HydrophobicContact CG-CE1 4.36Å; R18-F172 HydrophobicContact CB-CZ 4.09Å; Y48-F172 CarbonylContact O-C 3.52Å; Y48-F172 VanDerWaalsContact O-CA 3.28Å; Y48-F172 WeakPolarHBondContact O-CA 3.39Å; K49-F172 HydrophobicContact CB-CD1 4.05Å; K49-F172 HydrophobicContact CB-CE1 4.08Å; K49-F172 HydrophobicContact CD-CD1 4.48Å; K49-F172 HydrophobicContact CD-CE1 3.65Å; K49-F172 HydrophobicContact CD-CZ 4.3Å; K49-F172 HydrophobicContact CG-CD1 4.04Å; K49-F172 HydrophobicContact CG-CE1 3.61Å; K49-F172 HydrophobicContact CG-CZ 4.34Å; C153-F172 WeakPolarHBondContact CA-O 3.27Å; C153-F172 WeakPolarHBondContact CB-O 3.4Å; G154-F172 PolarHBondContact N-O 2.87Å; G154-F172 VanDerWaalsContact N-O 3.12Å; G154-F172 PolarHBondContact O-N 3.42Å; I156-F172 HydrophobicContact CD1-CE2 3.93Å; I156-F172 HydrophobicContact CG1-CE2 4.28Å
173F98.4Very high96.6Very high30 Ų3048.2 Ų48.213%0.13227%0.268CS..EExtended strand (participates in β ladder)trans-109.2110.5175-63.2-7.7000108.6Y48 F190 M194 F197Y48-F173 PolarHBondContact N-O 3.06Å; Y48-F173 PolarHBondContact O-N 2.76Å; F173-F190 HydrophobicContact CB-CD1 4.5Å; F173-F190 HydrophobicContact CD2-CD1 4.49Å; F173-M194 HydrophobicContact CB-CE 3.76Å; F173-M194 HydrophobicContact CD1-CE 3.94Å; F173-M194 HydrophobicContact CD2-CB 4.45Å; F173-M194 HydrophobicContact CD2-CE 3.35Å; F173-M194 HydrophobicContact CE1-CE 4.35Å; F173-M194 HydrophobicContact CE2-CB 4.17Å; F173-M194 HydrophobicContact CE2-CE 3.84Å; F173-M194 HydrophobicContact CE2-CG 4.36Å; F173-M194 HydrophobicContact CG-CE 3.39Å; F173-M194 HydrophobicContact CZ-CE 4.31Å; F173-F197 HydrophobicContact CZ-CD2 4.45Å; F173-F197 HydrophobicContact CZ-CG 4.26Å
174Q98.4Very high96.4Very high0 Ų048.8 Ų48.80%028%0.28CS..  trans-124.667.7176.8-163.6176.4-0.500108.4Y17 S40 E42 F43 V47 H151 A152Y17-Q174 PolarHBondContact OH-OE1 3.09Å; S40-Q174 PolarHBondContact OG-NE2 3.32Å; E42-Q174 VanDerWaalsContact CG-NE2 3.3Å; F43-Q174 HydrophobicContact CD1-CG 4.47Å; F43-Q174 HydrophobicContact CE1-CG 3.92Å; V47-Q174 HydrophobicContact CB-CB 4.1Å; V47-Q174 HydrophobicContact CB-CG 3.84Å; V47-Q174 HydrophobicContact CG2-CB 4.02Å; V47-Q174 HydrophobicContact CG2-CG 4.27Å; H151-Q174 HydrophobicContact CB-CB 4.18Å; H151-Q174 HydrophobicContact CB-CG 3.83Å; H151-Q174 WeakPolarHBondContact CB-O 3.48Å; H151-Q174 PolarHBondContact N-O 2.98Å; A152-Q174 WeakPolarHBondContact O-CB 3.33Å; A152-Q174 PolarHBondContact O-OE1 3.39Å; A152-Q174 VanDerWaalsContact O-OE1 3.07Å
175T98.3Very high96.4Very high14 Ų1445 Ų459%0.08626%0.255CS..EExtended strand (participates in β ladder)trans-112122.9-164.1-55.50000110.8F113 N150 L177 F190F113-T175 HydrophobicContact CD1-CG2 4.41Å; F113-T175 HydrophobicContact CE1-CG2 3.41Å; F113-T175 VanDerWaalsContact CE1-CG2 3.41Å; F113-T175 HydrophobicContact CZ-CG2 3.77Å; N150-T175 WeakPolarHBondContact OD1-CB 3.44Å; N150-T175 WeakPolarHBondContact OD1-CG2 3.19Å; N150-T175 PolarHBondContact OD1-OG1 2.81Å; T175-L177 HydrophobicContact CG2-CD2 4.08Å; T175-F190 HydrophobicContact CG2-CE1 4.37Å; T175-F190 HydrophobicContact CG2-CZ 4.21Å; T175-F190 VanDerWaalsContact O-CZ 3.31Å; T175-F190 WeakPolarHBondContact O-CZ 3.05Å
176D98Very high96.3Very high53 Ų5343.2 Ų43.228%0.28324%0.242SC..EExtended strand (participates in β ladder)trans-85.9114.3162-173-9.7000108.8F43 G148 F149 G178F43-D176 HydrophobicContact CD2-CB 3.73Å; F43-D176 HydrophobicContact CE2-CB 3.83Å; F43-D176 HydrophobicContact CG-CB 4.35Å; G148-D176 CarbonylContact C-O 3.53Å; G148-D176 VanDerWaalsContact CA-O 3.27Å; G148-D176 WeakPolarHBondContact CA-O 3.45Å; F149-D176 HydrophobicContact CB-CB 4.28Å; F149-D176 PolarHBondContact N-O 3.23Å; F149-D176 PolarHBondContact O-N 3.25Å; D176-G178 PolarHBondContact O-N 2.76Å; D176-G178 PolarHBondContact OD1-N 3.47Å
177L97.5Very high96Very high12 Ų1242.6 Ų42.66%0.06324%0.242CC..  trans-74.8-8.7179.9-68.8176.2000113.3I108 R111 F113 T175 L181 V186 F189 F190I108-L177 HydrophobicContact CD1-CD1 4.14Å; I108-L177 HydrophobicContact CG2-CD1 4.4Å; R111-L177 PolarHBondContact NE-O 3.21Å; F113-L177 HydrophobicContact CZ-CD2 4.21Å; T175-L177 HydrophobicContact CG2-CD2 4.08Å; L177-L181 HydrophobicContact CB-CD1 3.79Å; L177-L181 HydrophobicContact CD1-CD1 3.73Å; L177-L181 HydrophobicContact CG-CD1 4.44Å; L177-V186 HydrophobicContact CD1-CG1 4.44Å; L177-V186 HydrophobicContact CD1-CG2 4.4Å; L177-F189 HydrophobicContact CD1-CD1 4.15Å; L177-F189 HydrophobicContact CD1-CE1 4.42Å; L177-F190 HydrophobicContact CD1-CE2 4.38Å; L177-F190 HydrophobicContact CD1-CZ 4.13Å; L177-F190 HydrophobicContact CD2-CZ 4.24Å; L177-F190 HydrophobicContact CG-CE2 4.48Å; L177-F190 HydrophobicContact CG-CZ 3.92Å
178G95.1Very high95.8Very high15 Ų1545.9 Ų45.916%0.15526%0.264CS..  trans59.8-178.3-174.200000113.7R111 D176R111-G178 PolarHBondContact NH2-O 2.9Å; D176-G178 PolarHBondContact O-N 2.76Å; D176-G178 PolarHBondContact OD1-N 3.47Å
179G92.8Very high95.7Very high59 Ų5944.3 Ų44.361%0.60826%0.257SS*.SBendtrans66.4-162.2-179.500000113.3
180L92.7Very high95.7Very high178 Ų17844.8 Ų44.893%0.93226%0.259SS*.SBendtrans-109.987.9-176.9-61.9175.1000109.5
181L95.3Very high95.6Very high38 Ų3845.2 Ų45.220%0.19926%0.261CS..  trans-107.7138.7177.2-68.7179.6000111.1I108 L177 R183 V186I108-L181 HydrophobicContact CG1-CD1 4.16Å; I108-L181 HydrophobicContact CG1-CD2 4.26Å; L177-L181 HydrophobicContact CB-CD1 3.79Å; L177-L181 HydrophobicContact CD1-CD1 3.73Å; L177-L181 HydrophobicContact CG-CD1 4.44Å; L181-R183 PolarHBondContact O-N 2.87Å; L181-V186 HydrophobicContact CB-CG2 3.78Å; L181-V186 HydrophobicContact CD1-CG2 3.88Å
182P93.8Very high95.5Very high72 Ų7247.1 Ų47.147%0.46828%0.275SS..  trans-59.7131.6167.2-20.932.4000110.3S184 V185 V186P182-S184 PolarHBondContact O-N 2.82Å; P182-V185 HydrophobicContact CB-CG2 4.04Å; P182-V185 HydrophobicContact CG-CG2 4.18Å; P182-V185 WeakPolarHBondContact O-CB 3.45Å; P182-V185 PolarHBondContact O-N 2.82Å; P182-V186 PolarHBondContact O-N 3.3Å
183R89.6Confident95.5Very high162 Ų16247.5 Ų47.561%0.61128%0.277SS*.Hα-helixtrans-55.9-37.4-178.3-174.2173.1-177.8159.77.1112.8L181 V185 V186 D187L181-R183 PolarHBondContact O-N 2.87Å; R183-V185 VanDerWaalsContact C-N 3.27Å; R183-V185 PolarHBondContact O-N 3.4Å; R183-V186 PolarHBondContact O-N 2.81Å; R183-V186 VanDerWaalsContact O-N 3.16Å; R183-D187 WeakPolarHBondContact CG-OD2 3.43Å; R183-D187 IonicContact NE-OD2 2.77Å; R183-D187 WeakPolarHBondContact O-CB 3.49Å; R183-D187 VanDerWaalsContact O-CG 3.3Å; R183-D187 PolarHBondContact O-N 2.98Å
184S92.9Very high95.5Very high87 Ų8746 Ų4661%0.60827%0.271SS*.Hα-helixtrans-60.5-33.2176.354.20000113.8P182 S188P182-S184 PolarHBondContact O-N 2.82Å; S184-S188 WeakPolarHBondContact O-CB 3.28Å; S184-S188 PolarHBondContact O-N 3.34Å; S184-S188 VanDerWaalsContact O-N 3.15Å; S184-S188 PolarHBondContact O-OG 3.33Å
185V95.7Very high95.5Very high20 Ų2047.2 Ų47.212%0.12128%0.278CS..Hα-helixtrans-70.3-43.5176.3174.20000109.8A104 I107 I108 P182 R183 S188 F189A104-V185 HydrophobicContact CB-CG1 4.05Å; I107-V185 HydrophobicContact CB-CG1 4.46Å; I107-V185 HydrophobicContact CD1-CG2 4.5Å; I107-V185 HydrophobicContact CG2-CG1 3.95Å; I107-V185 HydrophobicContact CG2-CG2 4.16Å; I108-V185 HydrophobicContact CD1-CG1 3.95Å; I108-V185 HydrophobicContact CG1-CG1 3.88Å; P182-V185 HydrophobicContact CB-CG2 4.04Å; P182-V185 HydrophobicContact CG-CG2 4.18Å; P182-V185 WeakPolarHBondContact O-CB 3.45Å; P182-V185 PolarHBondContact O-N 2.82Å; R183-V185 VanDerWaalsContact C-N 3.27Å; R183-V185 PolarHBondContact O-N 3.4Å; V185-S188 PolarHBondContact O-OG 2.94Å; V185-S188 VanDerWaalsContact O-OG 3.07Å; V185-F189 WeakPolarHBondContact O-CB 3.18Å; V185-F189 PolarHBondContact O-N 2.86Å
186V94.6Very high95.5Very high32 Ų3250.6 Ų50.619%0.19429%0.293CS..Hα-helixtrans-64.4-47.9177-176.90000111.1L177 L181 P182 R183 S188 F189 F190L177-V186 HydrophobicContact CD1-CG1 4.44Å; L177-V186 HydrophobicContact CD1-CG2 4.4Å; L181-V186 HydrophobicContact CB-CG2 3.78Å; L181-V186 HydrophobicContact CD1-CG2 3.88Å; P182-V186 PolarHBondContact O-N 3.3Å; R183-V186 PolarHBondContact O-N 2.81Å; R183-V186 VanDerWaalsContact O-N 3.16Å; V186-S188 VanDerWaalsContact C-N 3.26Å; V186-S188 PolarHBondContact O-N 3.48Å; V186-F189 PolarHBondContact O-N 3.1Å; V186-F190 HydrophobicContact CG1-CD2 3.77Å; V186-F190 HydrophobicContact CG1-CE2 3.4Å; V186-F190 VanDerWaalsContact CG1-CE2 3.4Å; V186-F190 WeakPolarHBondContact O-CD2 3.47Å; V186-F190 PolarHBondContact O-N 3.34Å
187D90.9Very high95.5Very high60 Ų6048 Ų4832%0.32128%0.279SS..Hα-helixtrans-65-27.8-177.2-72.5-16.8000112.8N46 R183 P191N46-D187 PolarHBondContact ND2-OD1 3.15Å; R183-D187 WeakPolarHBondContact CG-OD2 3.43Å; R183-D187 IonicContact NE-OD2 2.77Å; R183-D187 WeakPolarHBondContact O-CB 3.49Å; R183-D187 VanDerWaalsContact O-CG 3.3Å; R183-D187 PolarHBondContact O-N 2.98Å; D187-P191 WeakPolarHBondContact O-CD 3.4Å; D187-P191 WeakPolarHBondContact O-CG 3.37Å
188S94.3Very high95.5Very high68 Ų6847.6 Ų47.648%0.47628%0.277SS..Hα-helixtrans-87.7-29.6175.158.50000113.6S184 V185 V186 S192S184-S188 WeakPolarHBondContact O-CB 3.28Å; S184-S188 PolarHBondContact O-N 3.34Å; S184-S188 VanDerWaalsContact O-N 3.15Å; S184-S188 PolarHBondContact O-OG 3.33Å; V185-S188 PolarHBondContact O-OG 2.94Å; V185-S188 VanDerWaalsContact O-OG 3.07Å; V186-S188 VanDerWaalsContact C-N 3.26Å; V186-S188 PolarHBondContact O-N 3.48Å; S188-S192 PolarHBondContact O-OG 3.02Å
189F97.2Very high95.7Very high31 Ų3148.4 Ų48.414%0.13628%0.281CS..Hα-helixtrans-65.6-54.7-179.6170.2-107.8000111.9A103 I108 L177 V185 V186 S192 S193A103-F189 HydrophobicContact CB-CD2 4.03Å; A103-F189 HydrophobicContact CB-CE2 3.49Å; A103-F189 VanDerWaalsContact CB-CE2 3.49Å; A103-F189 HydrophobicContact CB-CZ 4.18Å; I108-F189 HydrophobicContact CD1-CB 3.85Å; I108-F189 HydrophobicContact CD1-CD1 4.07Å; I108-F189 HydrophobicContact CD1-CD2 3.9Å; I108-F189 HydrophobicContact CD1-CG 3.65Å; L177-F189 HydrophobicContact CD1-CD1 4.15Å; L177-F189 HydrophobicContact CD1-CE1 4.42Å; V185-F189 WeakPolarHBondContact O-CB 3.18Å; V185-F189 PolarHBondContact O-N 2.86Å; V186-F189 PolarHBondContact O-N 3.1Å; F189-S192 WeakPolarHBondContact O-CB 3.17Å; F189-S192 PolarHBondContact O-N 2.89Å; F189-S192 VanDerWaalsContact O-N 3.1Å; F189-S193 WeakPolarHBondContact O-CB 3.47Å; F189-S193 PolarHBondContact O-N 3.19Å
190F97.4Very high96Very high9 Ų947 Ų474%0.03926%0.259CS..Hα-helixtrans-61.4-45.5-171.7-74-63.6000114.6Y48 F173 T175 L177 V186 S192 S193 M194Y48-F190 HydrophobicContact CD1-CB 4Å; Y48-F190 HydrophobicContact CD2-CB 3.58Å; Y48-F190 HydrophobicContact CD2-CD2 4.02Å; Y48-F190 AromaticContact CD2-CG 3.82Å; Y48-F190 HydrophobicContact CD2-CG 3.82Å; Y48-F190 HydrophobicContact CE1-CB 3.91Å; Y48-F190 HydrophobicContact CE2-CB 3.48Å; Y48-F190 VanDerWaalsContact CE2-CB 3.48Å; Y48-F190 AromaticContact CE2-CD2 3.4Å; Y48-F190 HydrophobicContact CE2-CD2 3.4Å; Y48-F190 VanDerWaalsContact CE2-CD2 3.4Å; Y48-F190 HydrophobicContact CE2-CE2 4.28Å; Y48-F190 AromaticContact CE2-CG 3.63Å; Y48-F190 HydrophobicContact CE2-CG 3.63Å; Y48-F190 HydrophobicContact CG-CB 3.86Å; Y48-F190 AromaticContact CZ-CD2 4Å; F173-F190 HydrophobicContact CB-CD1 4.5Å; F173-F190 HydrophobicContact CD2-CD1 4.49Å; T175-F190 HydrophobicContact CG2-CE1 4.37Å; T175-F190 HydrophobicContact CG2-CZ 4.21Å; T175-F190 VanDerWaalsContact O-CZ 3.31Å; T175-F190 WeakPolarHBondContact O-CZ 3.05Å; L177-F190 HydrophobicContact CD1-CE2 4.38Å; L177-F190 HydrophobicContact CD1-CZ 4.13Å; L177-F190 HydrophobicContact CD2-CZ 4.24Å; L177-F190 HydrophobicContact CG-CE2 4.48Å; L177-F190 HydrophobicContact CG-CZ 3.92Å; V186-F190 HydrophobicContact CG1-CD2 3.77Å; V186-F190 HydrophobicContact CG1-CE2 3.4Å; V186-F190 VanDerWaalsContact CG1-CE2 3.4Å; V186-F190 WeakPolarHBondContact O-CD2 3.47Å; V186-F190 PolarHBondContact O-N 3.34Å; F190-S192 PolarHBondContact O-N 3.09Å; F190-S193 PolarHBondContact O-N 3.27Å; F190-M194 WeakPolarHBondContact O-CB 3.45Å; F190-M194 PolarHBondContact O-N 2.9Å
191P97.4Very high96.2Very high9 Ų938.6 Ų38.66%0.05822%0.215CC..Hα-helixtrans-60.4-35.7175.1-24.735.2000113R28 Y48 D187 T195R28-P191 HydrophobicContact CB-CB 4.18Å; Y48-P191 HydrophobicContact CD1-CG 4.23Å; Y48-P191 HydrophobicContact CE1-CG 3.8Å; D187-P191 WeakPolarHBondContact O-CD 3.4Å; D187-P191 WeakPolarHBondContact O-CG 3.37Å; P191-T195 PolarHBondContact O-N 2.89Å; P191-T195 VanDerWaalsContact O-N 3.17Å; P191-T195 PolarHBondContact O-OG1 3.37Å
192S97.1Very high96.4Very high41 Ų4138.3 Ų38.329%0.28722%0.218SC..Hα-helixtrans-71.5-49178.3-55.70000112.1R28 S188 F189 F190 M194 T195 E196R28-S192 PolarHBondContact NH1-OG 2.98Å; R28-S192 PolarHBondContact NH2-OG 3.45Å; S188-S192 PolarHBondContact O-OG 3.02Å; F189-S192 WeakPolarHBondContact O-CB 3.17Å; F189-S192 PolarHBondContact O-N 2.89Å; F189-S192 VanDerWaalsContact O-N 3.1Å; F190-S192 PolarHBondContact O-N 3.09Å; S192-M194 VanDerWaalsContact C-N 3.27Å; S192-M194 PolarHBondContact O-N 3.21Å; S192-T195 PolarHBondContact O-N 3.21Å; S192-T195 VanDerWaalsContact O-N 3.17Å; S192-E196 PolarHBondContact O-N 2.77Å
193S97.6Very high96.6Very high7 Ų740.7 Ų40.75%0.04922%0.221CC..Hα-helixtrans-55.8-42.4175.4168.80000111.3N79 F189 F190 E196 F197N79-S193 PolarHBondContact ND2-OG 3.29Å; F189-S193 WeakPolarHBondContact O-CB 3.47Å; F189-S193 PolarHBondContact O-N 3.19Å; F190-S193 PolarHBondContact O-N 3.27Å; S193-E196 PolarHBondContact O-N 2.6Å; S193-F197 WeakPolarHBondContact O-CB 3.23Å; S193-F197 PolarHBondContact O-N 3.28Å
194M98.3Very high97Very high0 Ų033.8 Ų33.80%020%0.199CC..Hα-helixtrans-68.8-38.9178.9-165.3168.7-79.600112.4V35 G50 F173 F190 S192 E196 F197 Y198V35-M194 HydrophobicContact CB-SD 4.39Å; V35-M194 HydrophobicContact CG1-CB 4.38Å; V35-M194 HydrophobicContact CG1-CG 4.43Å; V35-M194 HydrophobicContact CG1-SD 3.61Å; V35-M194 HydrophobicContact CG2-CB 4.08Å; V35-M194 HydrophobicContact CG2-CG 4Å; V35-M194 HydrophobicContact CG2-SD 4.07Å; G50-M194 WeakPolarHBondContact CA-SD 3.44Å; G50-M194 PolarHBondContact N-SD 2.85Å; F173-M194 HydrophobicContact CB-CE 3.76Å; F173-M194 HydrophobicContact CD1-CE 3.94Å; F173-M194 HydrophobicContact CD2-CB 4.45Å; F173-M194 HydrophobicContact CD2-CE 3.35Å; F173-M194 HydrophobicContact CE1-CE 4.35Å; F173-M194 HydrophobicContact CE2-CB 4.17Å; F173-M194 HydrophobicContact CE2-CE 3.84Å; F173-M194 HydrophobicContact CE2-CG 4.36Å; F173-M194 HydrophobicContact CG-CE 3.39Å; F173-M194 HydrophobicContact CZ-CE 4.31Å; F190-M194 WeakPolarHBondContact O-CB 3.45Å; F190-M194 PolarHBondContact O-N 2.9Å; S192-M194 VanDerWaalsContact C-N 3.27Å; S192-M194 PolarHBondContact O-N 3.21Å; M194-E196 VanDerWaalsContact C-N 3.35Å; M194-E196 PolarHBondContact O-N 2.8Å; M194-F197 WeakPolarHBondContact O-CB 3.22Å; M194-F197 PolarHBondContact O-N 3.15Å; M194-Y198 HydrophobicContact CG-CD2 4.3Å; M194-Y198 HydrophobicContact CG-CE2 4.14Å; M194-Y198 WeakPolarHBondContact O-CD2 3.31Å; M194-Y198 PolarHBondContact O-N 2.83Å; M194-Y198 VanDerWaalsContact O-N 3.16Å
195T98.2Very high97.2Very high24 Ų2429.7 Ų29.715%0.14717%0.17CC..Hα-helixtrans-62.9-43174-58.70000111.8R28 V33 P191 S192 Y198 S199R28-T195 WeakPolarHBondContact CD-OG1 3.42Å; V33-T195 HydrophobicContact CG1-CG2 4.43Å; P191-T195 PolarHBondContact O-N 2.89Å; P191-T195 VanDerWaalsContact O-N 3.17Å; P191-T195 PolarHBondContact O-OG1 3.37Å; S192-T195 PolarHBondContact O-N 3.21Å; S192-T195 VanDerWaalsContact O-N 3.17Å; T195-Y198 PolarHBondContact O-N 3.21Å; T195-S199 PolarHBondContact O-N 3.46Å; T195-S199 VanDerWaalsContact O-N 3.11Å
196E98.1Very high97.2Very high85 Ų8535.3 Ų35.340%0.39719%0.193SC..Hα-helixtrans-64.3-42.2176.8-173.8178.9176.200112S78 S192 S193 M194 Y198 S199 N200S78-E196 VanDerWaalsContact CB-OE1 3.31Å; S78-E196 WeakPolarHBondContact CB-OE1 3.29Å; S78-E196 PolarHBondContact OG-OE1 3.19Å; S192-E196 PolarHBondContact O-N 2.77Å; S193-E196 PolarHBondContact O-N 2.6Å; M194-E196 VanDerWaalsContact C-N 3.35Å; M194-E196 PolarHBondContact O-N 2.8Å; E196-Y198 PolarHBondContact O-N 3.31Å; E196-S199 PolarHBondContact O-N 2.96Å; E196-N200 WeakPolarHBondContact O-CB 3.21Å; E196-N200 PolarHBondContact O-N 2.98Å
197F98.6Very high97.1Very high0 Ų037.1 Ų37.10%021%0.207CC..Hα-helixtrans-53.8-50.3174.5165-93.4000111.9L65 R73 W76 F173 S193 M194 N200 L201L65-F197 HydrophobicContact CD2-CE2 3.84Å; L65-F197 HydrophobicContact CD2-CZ 3.49Å; L65-F197 VanDerWaalsContact CD2-CZ 3.49Å; R73-F197 VanDerWaalsContact CZ-CE2 3.44Å; W76-F197 AromaticContact CH2-CD2 3.68Å; W76-F197 HydrophobicContact CH2-CD2 3.68Å; W76-F197 AromaticContact CH2-CE2 3.33Å; W76-F197 HydrophobicContact CH2-CE2 3.33Å; W76-F197 HydrophobicContact CH2-CZ 4.1Å; W76-F197 HydrophobicContact CZ2-CE2 4.37Å; W76-F197 AromaticContact CZ3-CD2 3.75Å; W76-F197 HydrophobicContact CZ3-CD2 3.75Å; W76-F197 AromaticContact CZ3-CE2 3.92Å; W76-F197 HydrophobicContact CZ3-CE2 3.92Å; W76-F197 WeakPolarHBondContact CZ3-O 3.31Å; F173-F197 HydrophobicContact CZ-CD2 4.45Å; F173-F197 HydrophobicContact CZ-CG 4.26Å; S193-F197 WeakPolarHBondContact O-CB 3.23Å; S193-F197 PolarHBondContact O-N 3.28Å; M194-F197 WeakPolarHBondContact O-CB 3.22Å; M194-F197 PolarHBondContact O-N 3.15Å; F197-N200 PolarHBondContact O-N 3.07Å; F197-L201 HydrophobicContact CE1-CD2 4.42Å; F197-L201 HydrophobicContact CZ-CD2 4.39Å; F197-L201 VanDerWaalsContact O-CB 3.27Å; F197-L201 WeakPolarHBondContact O-CB 3.11Å; F197-L201 PolarHBondContact O-N 3.06Å
198Y98.7Very high97Very high2 Ų236.4 Ų36.41%0.00820%0.203CC..Hα-helixtrans-65.8-41178.5-84.9-97.9000112.5V33 G50 V169 S171 M194 T195 E196 N200 L201 A202V33-Y198 HydrophobicContact CB-CD1 3.92Å; V33-Y198 HydrophobicContact CB-CD2 3.7Å; V33-Y198 HydrophobicContact CB-CE1 4.38Å; V33-Y198 HydrophobicContact CB-CE2 4.21Å; V33-Y198 HydrophobicContact CB-CG 3.56Å; V33-Y198 HydrophobicContact CG1-CD2 4.07Å; V33-Y198 HydrophobicContact CG1-CG 4.09Å; V33-Y198 HydrophobicContact CG2-CD1 4.08Å; V33-Y198 HydrophobicContact CG2-CD2 3.42Å; V33-Y198 VanDerWaalsContact CG2-CD2 3.42Å; V33-Y198 HydrophobicContact CG2-CE1 4.09Å; V33-Y198 HydrophobicContact CG2-CE2 3.45Å; V33-Y198 VanDerWaalsContact CG2-CE2 3.45Å; V33-Y198 HydrophobicContact CG2-CG 3.77Å; G50-Y198 PolarHBondContact O-OH 3.33Å; V169-Y198 HydrophobicContact CB-CE1 3.96Å; V169-Y198 HydrophobicContact CG1-CE1 4.14Å; V169-Y198 PolarHBondContact O-OH 2.84Å; S171-Y198 PolarHBondContact N-OH 2.96Å; S171-Y198 WeakPolarHBondContact OG-CE2 3.14Å; S171-Y198 PolarHBondContact OG-OH 3.11Å; M194-Y198 HydrophobicContact CG-CD2 4.3Å; M194-Y198 HydrophobicContact CG-CE2 4.14Å; M194-Y198 WeakPolarHBondContact O-CD2 3.31Å; M194-Y198 PolarHBondContact O-N 2.83Å; M194-Y198 VanDerWaalsContact O-N 3.16Å; T195-Y198 PolarHBondContact O-N 3.21Å; E196-Y198 PolarHBondContact O-N 3.31Å; Y198-N200 VanDerWaalsContact C-N 3.34Å; Y198-N200 PolarHBondContact O-N 3.16Å; Y198-L201 PolarHBondContact O-N 2.66Å; Y198-A202 WeakPolarHBondContact O-CB 3.39Å; Y198-A202 PolarHBondContact O-N 2.96Å
199S98.4Very high96Very high33 Ų3337.5 Ų37.523%0.23120%0.199CC..Hα-helixtrans-62.3-42.2177.8-169.60000112T195 E196 K203T195-S199 PolarHBondContact O-N 3.46Å; T195-S199 VanDerWaalsContact O-N 3.11Å; E196-S199 PolarHBondContact O-N 2.96Å; S199-K203 WeakPolarHBondContact O-CG 3.4Å; S199-K203 PolarHBondContact O-N 3.31Å
200N98.5Very high94.3Very high30 Ų3042 Ų4216%0.1623%0.225CC..Hα-helixtrans-73.7-37.8179.2-68.8-15.3000111.9W76 E196 F197 Y198 A202 K203 A204W76-N200 HydrophobicContact CE3-CB 3.86Å; W76-N200 HydrophobicContact CZ3-CB 4.36Å; W76-N200 WeakPolarHBondContact O-CB 3.39Å; E196-N200 WeakPolarHBondContact O-CB 3.21Å; E196-N200 PolarHBondContact O-N 2.98Å; F197-N200 PolarHBondContact O-N 3.07Å; Y198-N200 VanDerWaalsContact C-N 3.34Å; Y198-N200 PolarHBondContact O-N 3.16Å; N200-A202 PolarHBondContact O-N 2.9Å; N200-K203 PolarHBondContact O-N 3.21Å; N200-A204 WeakPolarHBondContact O-CB 3.37Å; N200-A204 PolarHBondContact O-N 2.96Å
201L98.6Very high92.2Very high0 Ų050.7 Ų50.70%027%0.27CS..Hα-helixtrans-58.5-47.3172.8177.160.9000111.1V54 C64 L65 W76 V169 F197 Y198 K203 A204 V205V54-L201 HydrophobicContact CG2-CD2 3.92Å; V54-L201 HydrophobicContact CG2-CG 4.32Å; C64-L201 HydrophobicContact CB-CD1 3.55Å; L65-L201 HydrophobicContact CD1-CD2 4.1Å; L65-L201 HydrophobicContact CD2-CD1 4.08Å; L65-L201 HydrophobicContact CD2-CD2 4.09Å; L65-L201 HydrophobicContact CG-CD1 3.98Å; L65-L201 HydrophobicContact CG-CD2 4.29Å; W76-L201 HydrophobicContact CE3-CB 4.4Å; W76-L201 HydrophobicContact CH2-CB 3.71Å; W76-L201 HydrophobicContact CH2-CD1 3.78Å; W76-L201 HydrophobicContact CH2-CG 4.23Å; W76-L201 HydrophobicContact CZ2-CB 4.43Å; W76-L201 HydrophobicContact CZ2-CD1 3.7Å; W76-L201 HydrophobicContact CZ3-CB 3.72Å; V169-L201 HydrophobicContact CG1-CD2 4.39Å; V169-L201 HydrophobicContact CG2-CD2 4.33Å; F197-L201 HydrophobicContact CE1-CD2 4.42Å; F197-L201 HydrophobicContact CZ-CD2 4.39Å; F197-L201 VanDerWaalsContact O-CB 3.27Å; F197-L201 WeakPolarHBondContact O-CB 3.11Å; F197-L201 PolarHBondContact O-N 3.06Å; Y198-L201 PolarHBondContact O-N 2.66Å; L201-K203 VanDerWaalsContact C-N 3.29Å; L201-K203 PolarHBondContact O-N 3.4Å; L201-A204 PolarHBondContact O-N 3.21Å; L201-V205 HydrophobicContact CD1-CG2 3.93Å; L201-V205 HydrophobicContact CG-CG2 4.39Å; L201-V205 VanDerWaalsContact O-CG2 3.31Å; L201-V205 WeakPolarHBondContact O-CG2 3.18Å; L201-V205 PolarHBondContact O-N 3.36Å
202A98Very high91.9Very high33 Ų3352.8 Ų52.827%0.27328%0.28SS..Hα-helixtrans-59.4-40178.800000112.2Y198 N200 K206Y198-A202 WeakPolarHBondContact O-CB 3.39Å; Y198-A202 PolarHBondContact O-N 2.96Å; N200-A202 PolarHBondContact O-N 2.9Å; A202-K206 WeakPolarHBondContact O-CB 3.38Å; A202-K206 PolarHBondContact O-N 3.18Å; A202-K206 VanDerWaalsContact O-N 3.12Å
203K97.8Very high91.6Very high121 Ų12153.4 Ų53.453%0.52628%0.28SS..Hα-helixtrans-66.1-46.4174.6-67.5167.9-166.8162.90111.8S199 N200 L201 V205 K206 S207S199-K203 WeakPolarHBondContact O-CG 3.4Å; S199-K203 PolarHBondContact O-N 3.31Å; N200-K203 PolarHBondContact O-N 3.21Å; L201-K203 VanDerWaalsContact C-N 3.29Å; L201-K203 PolarHBondContact O-N 3.4Å; K203-V205 PolarHBondContact O-N 3.48Å; K203-K206 WeakPolarHBondContact O-CB 3.4Å; K203-K206 PolarHBondContact O-N 3.12Å; K203-S207 PolarHBondContact O-N 3.15Å; K203-S207 PolarHBondContact O-OG 2.82Å
204A97.9Very high91.3Very high18 Ų1855.9 Ų55.915%0.14929%0.293CS..Hα-helixtrans-60.1-45.3179.800000112W76 N200 L201 K206 S207 L208W76-A204 HydrophobicContact CB-CB 3.74Å; W76-A204 HydrophobicContact CD2-CB 4.17Å; W76-A204 HydrophobicContact CG-CB 3.63Å; N200-A204 WeakPolarHBondContact O-CB 3.37Å; N200-A204 PolarHBondContact O-N 2.96Å; L201-A204 PolarHBondContact O-N 3.21Å; A204-K206 VanDerWaalsContact C-N 3.31Å; A204-K206 PolarHBondContact O-N 3.45Å; A204-S207 PolarHBondContact O-N 2.76Å; A204-L208 PolarHBondContact O-N 2.83Å; A204-L208 VanDerWaalsContact O-N 3.15Å
205V97.8Very high90.9Very high0 Ų059.2 Ų59.20%031%0.31CS..Hα-helixtrans-64.3-37.6177.51720000111.5V54 V61 C64 L201 K203 L208 K209V54-V205 HydrophobicContact CG1-CB 4.1Å; V54-V205 HydrophobicContact CG1-CG1 4.15Å; V54-V205 HydrophobicContact CG1-CG2 4Å; V61-V205 HydrophobicContact CB-CG2 4.43Å; V61-V205 HydrophobicContact CG2-CG1 4.02Å; V61-V205 HydrophobicContact CG2-CG2 4Å; C64-V205 HydrophobicContact CB-CG2 4.21Å; C64-V205 VanDerWaalsContact SG-CG2 3.59Å; L201-V205 HydrophobicContact CD1-CG2 3.93Å; L201-V205 HydrophobicContact CG-CG2 4.39Å; L201-V205 VanDerWaalsContact O-CG2 3.31Å; L201-V205 WeakPolarHBondContact O-CG2 3.18Å; L201-V205 PolarHBondContact O-N 3.36Å; K203-V205 PolarHBondContact O-N 3.48Å; V205-L208 PolarHBondContact O-N 3.07Å; V205-K209 PolarHBondContact O-N 3.46Å
206K95.4Very high90.5Very high138 Ų13861.4 Ų61.460%0.632%0.32SS*.Hα-helixtrans-62.5-46.1174-174.1-180176.8-176.80111.1A202 K203 A204 L208 K209A202-K206 WeakPolarHBondContact O-CB 3.38Å; A202-K206 PolarHBondContact O-N 3.18Å; A202-K206 VanDerWaalsContact O-N 3.12Å; K203-K206 WeakPolarHBondContact O-CB 3.4Å; K203-K206 PolarHBondContact O-N 3.12Å; A204-K206 VanDerWaalsContact C-N 3.31Å; A204-K206 PolarHBondContact O-N 3.45Å; K206-L208 PolarHBondContact O-N 3.35Å; K206-K209 WeakPolarHBondContact O-CB 3.35Å; K206-K209 PolarHBondContact O-N 3.2Å
207S93.1Very high89.9Confident71 Ų7159.9 Ų59.950%0.49732%0.315SS..Hα-helixtrans-63.3-25.6178.9-62.60000114.1K203 A204K203-S207 PolarHBondContact O-N 3.15Å; K203-S207 PolarHBondContact O-OG 2.82Å; A204-S207 PolarHBondContact O-N 2.76Å
208L89.3Confident89.3Confident44 Ų4464.1 Ų64.123%0.2334%0.337CS..Hα-helixtrans-72.6-26.4172.6-72.7178.7000113.7E63 C64 L72 A204 V205 K206 D210E63-L208 HydrophobicContact CB-CD1 4.46Å; E63-L208 HydrophobicContact CG-CD1 4.46Å; C64-L208 WeakPolarHBondContact SG-CD1 3.28Å; L72-L208 HydrophobicContact CD1-CD1 3.69Å; L72-L208 HydrophobicContact CD1-CD2 3.76Å; L72-L208 HydrophobicContact CD1-CG 4.15Å; A204-L208 PolarHBondContact O-N 2.83Å; A204-L208 VanDerWaalsContact O-N 3.15Å; V205-L208 PolarHBondContact O-N 3.07Å; K206-L208 PolarHBondContact O-N 3.35Å; L208-D210 VanDerWaalsContact C-N 3.3Å
209K72.6Confident88.6Confident92 Ų9268.9 Ų68.940%0.436%0.363SS..Hα-helixtrans-76.7-20.9177.9-68.1178170.9-179.30113S55 V205 K206 I211S55-K209 VanDerWaalsContact C-NZ 3.32Å; S55-K209 WeakPolarHBondContact O-CE 3.24Å; S55-K209 PolarHBondContact O-NZ 2.84Å; V205-K209 PolarHBondContact O-N 3.46Å; K206-K209 WeakPolarHBondContact O-CB 3.35Å; K206-K209 PolarHBondContact O-N 3.2Å; K209-I211 VanDerWaalsContact C-N 3.25Å
210D61.8Low87.8Confident125 Ų12571.9 Ų71.967%0.66837%0.374SS*.THydrogen-bonded Turntrans-87.55.5-178.2-61.3-29.5000112.2L208L208-D210 VanDerWaalsContact C-N 3.3Å
211I52.7Low86.8Confident191 Ų19175.7 Ų75.798%0.97939%0.393SS*.  trans-109.70175-57.3173.4000108.5K209K209-I211 VanDerWaalsContact C-N 3.25Å

Retrieved 211 of 211 residues in 405.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).