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

General information: TITO was launched using: RESULT: Template: 3VPB.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1362 -30703 -22.54 -114.99 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain D : 0.65 3D Compatibility (PKB) : -22.54 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.444

(partial model without unconserved sides chains): PDB file : Tito_3VPB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VPB-query.scw PDB file : Tito_Scwrl_3VPB.pdb: