Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIKCGENNEGGKYMQIDWNNLGFSYIKTPWRFIAKWKDGQWEEGELTEDNYLTIHEGSPALHYGQQCFEGLKAYRRKDGKVNLFRPEQNSRRMNQSARRLLMPMVPEKMFVDAVKQVVKANEDFVPPYGTGATLYLRPLLIGVGENIGVHPAPEYLFVVFCTPVGAYFKGGLKPTNFIVS-DYDRAAPKGTGAAKVGGNYAASLLPGTEAKELDYSDCVYLDPATHTKIEEVGAANFFGITKDG---KFITPQ-SPSILPSITKYSLLQLAEERLGLQAIEGDIFIDDLDQFAEAG------ACGTAAVISPIGGIYHNNNLHVFYSETEVGPVTKRLYDELTGIQFGDIEAPEGWIEVVE 3HT5 Chain:A ((50-364)) ----------------------------------------WHNARVIPYGPIELDPSAIVLHYAQEVFEGLKAYRWADGSIVSFRADANAARLRSSARRLAIPELPDAVFIESLRQLIAVDKAWVPGAGGEEALYLRPFIFATEPGLGVRPATQYRYLLIASPAGAYFKGGIAPVSVWVSTEYVRACPGGTGAAKFGGNYAASLLAQAEAAENGCDQVVWLDAVERRYIEEMGGMNIFFVLGSGGSARLVTPELSGSLLPGITRDSLLQLAID-AGFAVEERRIDIDEWQKKAAAGEITEVFACGTAAVITPVARVRHGAS-EFRIADGQPGEVTMALRDTLTGIQRGTFADTHGWM----

General information: TITO was launched using: RESULT: Template: 3HT5.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 : 1596 -75966 -47.60 -249.89 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -47.60 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.459

(partial model without unconserved sides chains): PDB file : Tito_3HT5.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HT5-query.scw PDB file : Tito_Scwrl_3HT5.pdb: