Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRVLVIMDPIETVNLKKDSTMAMLWAASRRGHELGYALQQDLYIDQGKAYGLISPLKVFEDYNHYYELGEKKKESIAAYDVVLMRKDPPFDMNFVYTTYVLEQAEREGSWIINKPQSLRDCNEKLFATQFPE----LQVPTLVTSQQSLIREFITEH-GDVIVKPLDGMGGMGIFRLYQDGVNIGSTLEMLTE----LGTRPIMAQRYIPEIVEGDKRILMVNGEPIPYCLARIPQNGEVRGNLAAGGLGQARPLTENDKLIAAKVGPFLREKGLVFVGLDVIGN-----YVTEINVTSPTCIREIDAQFGTSIADDLFDVLEAGRPA 3VPC Chain:B ((1-281)) MRVVLIVDIV------RQEEKLIAKALEENKVQYDIINVAQEPLPFN--------------------------KALGRYDVAIIRPVSMY-----RALYSSAVLEAAGVHTINSSDVINVCGDKILTYSKLYREGIPIPDSIIALSAEAALKAYEQRGFPLIDKPPIGSWGRLVSLIRDVFE-GKTIIEHRELMGNSAL-KAHIVQEYIQYK-GRDIRCIAIGEELLG-CYARNIPPNEWRANVALGGTPSNIEVDEKLKETVVKAVSIV---HGEFVSIDILEHPNKGYVVNELNDV-PE-FKGFMVATNINVAQKLVEYIKENYS-

General information: TITO was launched using: RESULT: Template: 3VPC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1359 -36663 -26.98 -137.31 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.65 3D Compatibility (PKB) : -26.98 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.447

(partial model without unconserved sides chains): PDB file : Tito_3VPC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VPC-query.scw PDB file : Tito_Scwrl_3VPC.pdb: