Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKIAFLFPGQGSQFIGMGKELYEQVPAAKRLFDEADETLETKLSSLIFEGDAEELTLTYNAQPALLTTSIAVLEKFKESGITPD----FTAGHSLGEYSALVAAGALSFKDAVYTVRKRGEFMNEAVPAGEGAMAAILGMDAEALKQVTDKVTEEGNLVQLANLNCPGQIVISGTAKGVELASELAKENGAKRAIPLEVSGPFHSELMKPAAEKLKEVLDACDIKDADVPVISNVSADVMTEKADIKEKLIEQLYSPVRFEESINKLIAEGVTTFIEIGPGKVLSGLVKKVNRRLKTIAVSDPETIELAIQTLKEENDNA 3QAT Chain:B ((8-316)) ----AFTFPGQGSQLIGMGKVLTEQFVAARMVFEEVDDALSEKLSDIIFEGPADVLTLTANAQPALMAVSMAVIRVMEQLGLNVEKKVKFVAGHSLGEYSALCAAGTFSLTDTARLLRIRGNAMQAAVAVGEGSMAALIGLDEKDVEEICEIVAEEG-LCQIANDNGGGQIVISGEAKAVETAVEVASQKGAKRAVLLPVSAPFHSALMQPAANAMKNALLTVNKTAPIVPLIANVSVIPESDPERIVSLLVQQVTGRVRWRETIEWISANGVNTLFEIGSGKVLTGLARRINKDIKALTVGTAEEIEAALRVL-------

General information: TITO was launched using: RESULT: Template: 3QAT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1850 -209060 -113.01 -685.44 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.86 3D Compatibility (PKB) : -113.01 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.595

(partial model without unconserved sides chains): PDB file : Tito_3QAT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QAT-query.scw PDB file : Tito_Scwrl_3QAT.pdb: