Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFNLYFTALKSLAIKETNRYLRIWVQTLVPPVITTSLYFVIFGKMIGGRIGDMGGFSYMEFIVPGLIMMSAITSSYANVSSSFFSQKFQKNIEEILVAPVPT-HVIIWGFVIGGV-GRSILVGSLVTIISLFFVPLHV--YSWFMVIITLLMTAILFSLAGLLNGIFAQSYDDVSIVPTFVLQPLTYLGGVFYAISMLPPFWQAVSKVNPIVYMISGFRYGFLGTIDV---------------------------------PVATSMIVLVLFIVVLYAVTWYLINKGRGLRS 5NJ3 Chain:A ((380-664)) --TSFCHQLRWVSKRSFKNLLGNPQ-ASIAQIIVTVVLGLVIGAIYFGLKND---ST-GIQNRAGVLFFLTTNQCFSSVSAVELFVVEKKLFIHEYISGYYRVSSYFLGKLLSDLLPMRMLPSIIFTCIVYFMLGLKPKADAFFVMMFTLMMVAYSASSMALAIAAGQSVVSVATLLMTICFVFMMIFSGLLVNLTTIASWLSWLQYFSIPRYGFTALQHNEFLGQNFCPGLNATGNNPCNYATCTGEEYLVKQGIDLSPWGLWKNHVALACMIVIFLTIAYLKLLFLKKYS-

General information: TITO was launched using: RESULT: Template: 5NJ3.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 : 1003 -145170 -144.74 -585.36 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -144.74 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.227

(partial model without unconserved sides chains): PDB file : Tito_5NJ3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5NJ3-query.scw PDB file : Tito_Scwrl_5NJ3.pdb: