Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKPYYEFFCPVKVIAGNAALEHIPFELATLGAKRPLIITDKGVRANGLLNPIEAAFSTTDAVIGHVFDDVPPDSSLEVVRLAAEAYRTNKCDAIIAVGGGSVIDTSKATNILVSEGGDDLLQYSGAHNLPKPLKPFFVIPTTSGTGSEVTMVAVVSDTQKNVKLAFASYYLMPHAAILDPRMTLTLPPHLTAMTGMDALTHCVEAYTCMAANPLSDAYASAGIKKISENLFNVLENPNDSQGRLELAQASTMAGIAFSNSMVGLVHSLGHALGAVAHLPHGLCMNLFLPYVLEYNKQINGQKIGELLLPLAGADIYAQTPATQRADR--AIATILAMRDRLFSLTKLPRTLRETGKVTEAQLDEVAEKALNDGSIIYNPKEASLKDLREILQKAW 3OWO Chain:A ((6-383)) -------FYIPFVNEMGEGSLEKAIKDLNGSGFKNALIVSDAFMNKSGVVKQV-ADLLKAQGINSAVYDGVMPNPTVTAVLEGLKILKDNNSDFVISLGGGSPHDCAKAIALVATNGGE-VKDYEGIDKSKKPALPLMSINTTAGTASEMTRFCIITDEVRHVKMAIVDRHVTPMVSVNDPLLMVGMPKGLTAATGMDALTHAFEAYSSTAATPITDACALKAASMIAKNLKTACDNGKDMPAREAMAYAQFLAGMAFNNASLGYVHAMAHQLGGYYNLPHGVCNAVLLPHVLAYNASVVAGRLKDVGVAM-GLDI------ANLGDKEGAEATIQAVRDLAASI-GIPANLTELGAKKE-DVPLLADHALKDACALTNPRQGDQKEVEELFLSAF

General information: TITO was launched using: RESULT: Template: 3OWO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 2358 -174607 -74.05 -464.38 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -74.05 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_3OWO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OWO-query.scw PDB file : Tito_Scwrl_3OWO.pdb: