Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDNKYHLVGQIDLENLNKIIIPVTKNVFNSRISEIKRFPTGSCHFVYDAVLESWENLVFRIGYSDSNKAKIGWSVFWHGKLKELGIKI-PALLYHDVSCIEYGKPFTVSERIRWDDIWNAI-DSLTD-ENLDLIAKEIAGIQNRIST-LEPWRWFWEMTSYDDANLKGKWREFVLEKFEKAKMALSE-GGIFDDSYIERVREALDRNSWYLENVKGTMFFDDITSKNIIVDNSEFSWVVDFDTMTCWDRLYWLGLCNMAFIY-----LEREIYISYLIRYLGCSEDDISAMNLYTLLFCLDFMSEIGQKFNKEEAII--DYIKAERYKSIFERICNNIK---------- 2PPQ Chain:A ((5-320)) --------TDITEDELRNFL---------------TQYDVGS----LTSYKGIAENSNFLLHTTKD---PLILTLYEKKNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKPEAKHCREVGKALAAMHLA------SEGFEIKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWP---KDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRLYDWLTTPAGALVVKKDPLEYLRKLRFHRTIANVAEYGLA

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 : 1340 -47928 -35.77 -166.41 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -35.77 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.356

(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: