Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGVKTQLSLHELNQLFPSY---GFTEIKPTISGIIDTTYIIHNETTGYILKRYERDITRK-IELDIKLLNELKSVGLNVPACLDSNYGWYIYEK----------LEGKQPTNTKSYHIQALGRFLAKMH--------SQTSKMRCDSNRIIEDEVTQSLKYVKENFFAYYK-RFEFLKNFTHKH--EAIIHGDIFKDNTIFNGRKI-GVIDFIDSSCGTFAYDVAVTLVGFDARERHDYYINLFLKNYNQHAPKKLSKKVVKEKMKFAANFFALKRVHEYKNTSRAKELLK 2PPQ Chain:A ((5-228)) ----TDITEDELRNFLTQYDVGSLTSYKGIAE---NSNFLLHTTKDPLILTLYEK---KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFLEGMWLRKPEAKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERADEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICL---------------------------------------------------------------

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 : 610 13081 21.44 68.13 target 2D structure prediction score : 0.45 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 21.44 2D Compatibility (Sec. Struct. Predict.) : 0.45 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.275

(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: