Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVYYPQPVDNLVNKRSCKRRRYITMKKIKPHGPLPSQTQLAYLGDELAAFIHFGPNTFYDQEWGTGQEDPERFNPSQLDAREWVRVLKETGFKKLILVVKHHDGFVLYPTAHTDYSVKVSPWRRGKGDLLLEVSQAATEFDMDMGVYLSPWDAHSPLYHVDREADYNAYYLAQLKEILSNPNYGNAGKFAEVWMDGARG-----EGAQKVN-------YEFEKWFETIRDLQGDCLIFS--TEGTSIRWIGNERGYAGDPLWQKVNLDKLGTEAELNYLQHGDPSGTIFSIGEADVSIRPGWFYH--EDQDPKSLEELVEIYFHSVGRGTPLLLNIPPNQAGLFDAKDIERPYEFATYRNELYKEDLALGAEVSGPALSADFDCRHLTDGLETSSWASDADLPIQLELDLGSPKTFDVIELREDLKLGQRIAAFHVQVEVDGVWQEF-------GRGF-TVGHKRLLRGPLVEAQKVRVMITEAQSIPVLTKISLYKTPGLSKKEVVQELAFAEKSLAVAKGETLHFRIERSRSSSSLEAKISIQPGTGVHGVAYQDEIYALAFQAGETEKRLTLPTLYFAGDKTLDFYLNLTVDGQLVDQLQVQVS 5K9H Chain:A ((33-469)) ----------------------------EPCGPVPTENQLRWQDMEMYAFIHYSLNTYTDEEWGYGNEDPQLFNPSSLDCRQWARVCKQAGMRGIIFTAKHHCGFCMWPSAYTEYSVKNSPWKNGKGDVVRELADACREEGLKFAVYLSPWDRNHPAYG---QPAYVAYFRNQLRELLT-----NYGEIFEVWFDGANGGDGWYGGANETRKIDRTTYYQWPETYKMIRQLQPNCLIWNDGSDRGDLRWVGTEAGNVGETNWSLLNHDG---EVEWHMLHYGLENGDSWVPGETNTSIRPGWFYHDTENEHVKSLSKLMDTYYKSVGRNSTLLLNFPIAPNGRIHPNDSLRGIAFKKMIGEVFRKNLAEKA-------------RTQTKGDETV-------------IDFGKPTTFNRFLAEEDIRYGQRVKKFLLEAEINGQWQQLKDALVENGDGLTTIGHRRIICFPTVNATKLRFTVVNTKCEPFIKKLGVYLAPELT---------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5K9H.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 : 2375 -10804 -4.55 -26.16 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -4.55 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.500

(partial model without unconserved sides chains): PDB file : Tito_5K9H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5K9H-query.scw PDB file : Tito_Scwrl_5K9H.pdb: