Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEEVREYGKKSQPKIRYSQFDAEDIRKELLERYGMEMPVECRLFDYGMNDIYRIKTKKETYFLRISLAGLHTKKDYEEEMHILNILIQNGIKAAAPVKMRGMPGRQEDYVWELHAPEGIRYAMLFTEAPNSPS-DDKESSACNLGSMLAGIHNISDREKFQVSRPPIDMCQLVEKPLSNIRPFLADREQDFSFLKESAEKLAGYIKGKLPETAPVYGFCHGDVHSGNVFFA-GDKPTLFDFDCMGYGWRSYDICVYAWNETFLDENYIEGSVWKKYLEGYESVRPLSAEEKETIPAFAALRQLWLMGLHADVMDRNAGCCWYQDDYFDSQIKMFRLWLDRCSL 2PPQ Chain:A ((5-284)) -----------------TDITEDELRN-FLTQYDVGSLTSYKGIAE--NSNFLLHTTKDPLILTLYEK----KNDLPFFLGLMQHLAAKGLSCPLPL-----PRKDGELLGEL----SGRPAALISFLEGMWLRKPEAKHCREVGKALAAMHLASEGFEIKRPN-ALSVDGWK-VLWDKSEERADEV---EKGLREEIRPEIDYLAA-HWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRLYDW------------------------------

General information: TITO was launched using: RESULT: Template: 2PPQ.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 : 1286 -72618 -56.47 -266.98 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -56.47 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.345

(partial model without unconserved sides chains): PDB file : Tito_2PPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ppq-query.scw PDB file : Tito_Scwrl_2PPQ.pdb: