Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSNRSLHGGHTTIHNNNAYHDAAKEERQLQEQQKPSMPGSHAAVERMTAVQVVDRLRWWRTHRVREQPIPVDHFVLRGSYANYSSFGTRPLAPSVTRLLQKARTVRAQYLRTQQQPQHEAPRQSRQVSSLLMAPTAGASVRSASNERLGSDAGETERTTGCISEEEGQYGERQQRQLREMNDDAKEKVNNKRRAAVIASWPRSPRPLNEVAIACLGEPAGQRDSATDNITRISLSASGSAGTSPPLVRAVSGSAPSVDTPSGALYVPSEQEARVAERLLMLFRPRAASAPLRSRRYRCTAGRLDATSSEFSGEPPLQGDWGHAEATGLHHERMTRVSASDEITDVRRAPGAAEAVIVLHHAPRLVLYEKGLHPKAALRAAGISSDALESLDDAAAESSAELFALRNLPLFAFERFFYQQQLRGLAETRRSHTPGMRSASADASAESAGVPESDTASAPTGAAAGAVAAADTAVDDDIIANGDDAFFFGSPLTATLACSLKTVVPLSSVAAAAAPGSRGRDGRDAAARQAVQHRGRGRDDGSNRRRGGRAALRAVSVPALPPVYKGGCPQMTLATSHHHLSSGARLQQQQQSSNRPSPILSAGLRSSKAPQNGAHLCLRVDDLQDVYVFNPVVDMIGKGAFSKVYAAVPILRGKEGLRRFASPLLDGQAAPCGSDELSGSGPREGGRRVSTVRRVSPVRRNSSSTALRVDPAAGAAVGDAAGPLTDDETAKRRPHAQSLA-ASLHSIPVVALKVIPRKARQKPKAAPDPLATTHSTAAAAAGSVASNAQQAAQNDQNSVRRELVEIEREVSILRSLHHTGCSQFFEAIRTPDAFVIAMRVFPGSMDAQRYLSRYGAPSEARAALLLFQLVSTVQYLHTNFGLIHRDIKLENILLSEA------DAG-VPDARIREVL-----GPALHKSDTSAMMTEIEGGRKGCASATTAAETRTAAQRRYSMLSRNVARLLRVTLIDFGLARRTRASTLSPIVAASRGRGAGAQHGSLNATITSPTHLASFP-PTSASLAASHPHASHNPNSSSYSGSLGSPASSSAGCAAGVVMLANGGNSSSNSYTPAKPAPPKPPLLCRPPSAAVGAGTARLGSSSAGISAMERSTPRAGMPSPMPSTANMFTRFLDLEEEMDEEENGGAAGTSNTTANTTTKVGDLGRGGRRDMAENEDDSGAFSTDVSASETDCESEGGSTAEPKEGSAPNGEERLETGPQQEHVARKALISPSVLRAHPQTPPGSAIIVSPPLPPTPMLLSSTTAFTLDHFNAENSSSSCNTSGPAAGGAGLRNRCASCIYTSHQQLSPAPPVVAAGVSSAPDDTEATLLLTPCGTEKYLPPEVLSWILEHGWARRSTTVGLARAMDLYSIGIVAYVLLSGCFPFNASSRATLLQQQQRVPRCNSARWAGVSSAAISFVQRLLEPNPRKRMTAKEALEHPFLHEARQLAEKLSLVPHGEGEEASHPSTWRDGSHMDNHHRHSIGGTGRHFEDDANVHARSHWATSTTATTNLPHSAPSPTHPDHTHSGAAIERASTQPSSSVSLAVYDSQRRHAGGPCELAAANEPSPLSSNSGADGGGELLCHHVESGTAPTATSISSGCRLSDAPRVCRSSDECEKDDVRASVARDVPGKVQPLLQACKESPYSTTPPVPVTPTLAKPCTAALARAASIELPALSSLVAHPAKPSPSSTLYFTATGTTASADGGRAERATLPEPESAAAGSSAPALAPGSKDAAAANRPVSLSPAATTSTARATEGGEDDLFESLYNNIMSSD 5KCV Chain:A ((20-452)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------IVKEGWLHKRGEYITWRPRYFLLKNDGTFIGYKERPAPLNNFSVAQCQLMKTE--RPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQRVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKK---VLQNSRHPFLTALKYSFQTHDRLCFVMEYANGG-ELFFHLSRERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDFGLCPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRL-------------------PFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYF----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5KCV.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 : 1701 9590 5.64 28.29 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : 5.64 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.149

(partial model without unconserved sides chains): PDB file : Tito_5KCV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5KCV-query.scw PDB file : Tito_Scwrl_5KCV.pdb: