Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQAALAPGGFDEFEMHQVLKRGCAAVGLD-SSEARL-LRGHTNAVIHLVK--EHVVVKIARKGSRIDDVARTVRFVRWLMDAGFPTVSLHPVD--QPV-GVGQHALTFWEYLPQPS----DPVPAAQLAKPLYSLHTLPASPEA-LPAHDNLAAIRRSLKSI----TCLSDEALAFLNGSTEQLESALHVVQFELPEGVIQGDPQHRNALHTASGGAVLCDWDTVAIGQPEWDLVTVEVHCRRFG---HGSQHYEAFANTYGWD----VTRWSGYQTLAAIRELRMITTNARKVSDAPTSLQEVERRVEGLRCHDRALRWNIL 2PPQ Chain:A ((6-282)) ---------DITEDELRNFLTQ-Y---DVGSLTSYKGIAE---NSNFLLHTTKDPLILTLYEK---KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKPEAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAH---WPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRLY-------------------------------

General information: TITO was launched using: RESULT: Template: 2PPQ.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 : 1066 -13132 -12.32 -52.95 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -12.32 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.330

(partial model without unconserved sides chains): PDB file : Tito_2PPQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ppq-query.scw PDB file : Tito_Scwrl_2PPQ.pdb: