Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MKNKRIFKDFQ-ASKMSLNIYTSPLLAFVFVFIGEFVAFTLYGIGLLALIGLARNFGEAGQNLATYLQTL----HQSLTDKTSDFRLILGLLAFGFILNTVFRWTRKV-EKRPIRTLGF-----------------------------YRENFLSNLLKGFS---LGLALFLLTLLG---LVVLGQYRLESIHLNPYSLAFVVFTIP--FWILQ-------GTAEEVVARAWLLPQLASRTNLKLAILI--SSLFFTLLHMGNSGLTPLSLVNLFLFGVAMALYLLKTDTVWGVAGIHGAWNFAQGNLFGILV---SGQPSGTSLMTFLPQGN-----QDWLSGGS-----------FGIEGSI----MTSLV-----LLLLIVYLANKLKKEN-------ERM------------------------- 4Z0V Chain:A ((7-440)) PPAFTELQLPRYIMAGFPVCPKLSLE-FGDPASSLFRWYKEAKPGAAGSSWTETDVEERVYTPSNADIGLRLKLHCTPGDGQRFGHSRELESVCVVEAGPGTCTFDHRHLYTKKVTEDALIRTVSYNILADTYAQTEFSRTVLYPYCAPYALELDYRQNLIQKELTGYNADVICLQEVDRAVFSDSLVPALEAFGLEGVFRIKQHEGLATFYRKSKFSLLSQHDISFYEALESDPLHKELLEKLVLYPSAQEKVLQRSSVLQVSVLQSTKDSSKRICVANTHLYWHPKGGYIRLIQMAVALAHIRHVSCDLYPGIPVIFCGDFNSTPS-TGMYHFVINGSIPEDHEDWASNGEEERCNMSLTHFFKLKSACGEPAYTNYVGGFHGCLDYIFIDLNALEVEQVIPLPSHEEVTTHQALPSVSHPSDHIALVCDLKWK

General information: TITO was launched using: RESULT: Template: 4Z0V.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 : 1552 -37300 -24.03 -118.41 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -24.03 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.229

(partial model without unconserved sides chains): PDB file : Tito_4Z0V.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Z0V-query.scw PDB file : Tito_Scwrl_4Z0V.pdb: