Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKCGENNEGGKYMQIDWNNLGFSYIKTPWRFIAKWKDGQWEEGELTEDNYLTIHEGSPALHYGQQCFEGLKAYRRKDGKVNLFRPEQNSRRMNQSARRLLMPMVPEKMFVDAVKQVVKANEDFVPPYGTGATLYLRPLLIGVGENIGVHPAPEYLFVVFCTPVGAYFKGGLKPTNFIVS-DYDRAAPKGTGAAKVGGNYAASLLPGTEAKELDYSDCVYLDPATHTKIEEVGAANFFGITKDG---KFITPQ-SPSILPSITKYSLLQLAEERLGLQAIEGDIFIDDLDQFAEAG------ACGTAAVISPIGGIYHNNNLHVFYSETEVGPVTKRLYDELTGIQFGDIEAPEGWIEVVE 5U3F Chain:A ((50-364)) ----------------------------------------WHNARVIPYGPIELDPSAIVLHYAQEVFEGLKAYRWADGSIVSFRADANAARLRSSARRLAIPELPDAVFIESLRQLIAVDKAWVPGAGGEEALYLRPFIFATEPGLGVRPATQYRYLLIASPA--------APVSVWVSTEYVRACPGGTGAAKFGGNYAASLLAQAEAAENGCDQVVWLDAVERRYIEEMGGMNIFFVLGSGGSARLVTPELSGSLLPGITRDSLLQLAID-AGFAVEERRIDIDEWQKKAAAGEITEVFACGTAAVITPVARVRHGAS-EFRIADGQPGEVTMALRDTLTGIQRGTFADTHGWM----

General information: TITO was launched using: RESULT: Template: 5U3F.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 : 1526 -76491 -50.12 -258.41 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -50.12 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.455

(partial model without unconserved sides chains): PDB file : Tito_5U3F.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5U3F-query.scw PDB file : Tito_Scwrl_5U3F.pdb: