Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNNLAFLFPGQGSQFVGMGKSFWNDFVLAKRLFEEASDAISMDVKKLCFDGDMTELTRTMNAQPAILTVSVIAYQVYMQEIGI----KPHFLAGHSLGEYSALVCAGVLSFQEAVKLIRQRGILMQNADPEQLGTMAAITQVYIQPLQDLCTEISTEDFPVGVACMNSDQQHVISGHRQAVEFVIKKAERMGANHTY-LNVSAPFHSSMMRSASEQFQTALNQYSFRDAEWPIISNVTAIPYNNGHSVREHLQTHMTMPVRWAESMHYLLLHGVTEVIEMGPKNVLVGLLKKITNHIAAYPLGQTSDLHLLSDSAERNENIVNLRKKQLNKMMIQSIIARNYNKDAKTYSNLTTPLFPQIQLLKERVERKEVELSAEELEHSIHLCQLICEAKQLPTWEQLRILK 3QAT Chain:B ((8-310)) ----AFTFPGQGSQLIGMGKVLTEQFVAARMVFEEVDDALSEKLSDIIFEGPADVLTLTANAQPALMAVSMAVIRV-MEQLGLNVEKKVKFVAGHSLGEYSALCAAGTFSLTDTARLLRIRGNAMQAAVAVGEGSMAALIGLDEKDVEEIC-EIVAEEGLCQIANDNGGGQIVISGEAKAVETAVEVASQKGAKRAVLLPVSAPFHSALMQPAANAMKNALLTVNKTAPIVPLIANVSVIPESDPERIVSLLVQQVTGRVRWRETIEWISANGVNTLFEIGSGKVLTGLARRINKDIKALTVGTAEEIE------------------------------------------------------------------------------------------------

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 : 1811 -63095 -34.84 -211.73 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -34.84 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.499

(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: