Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADRFIGSAVAVPASLDWLRATETGRIWLDKLPVLLETACEHFGLSE--IGSPFSGGNVSLVVPARHDGEDVVLKLQFPD-HECRHEAEALWRWNGKG--AVRLLKHA--------PELGALLLERCRPGQFLADDTETDRIGVVAGLLRLLTIPAGD-PFT-RLNDEAARWRDSLDHNWMAAGKPCEQYLVDAARKALQDLCLE--KEAEEVLLHQDLHGHNILSSERDTWLAIDPK-PLAGDPAFALSPIVRSFEFG----HSKAEARYRLDRLSEELELD---RERARYWTIGQTMAWAFSSSYAERHFETVRWLLAEN 2PPQ Chain:A ((11-281)) ----------------------------------ELRNFLTQYDVGSLTSYKGIAE---NSNFLLHTTKDPLILTLYEK-KNDLPFFLGLMQHLAAKGLSCPLPLPRKDGELLGELSGRPAALISFL-EGMWLRKPE-AKHCREVGKALAAMHLASEGFEIKRPNALSVDGWKVLWDKSEERA-DEVEKGLREEIRPEIDYLAAHWPKDLPAGVIHADLFQDNVFFLGDELSGLIDFYFACNDLLAYDVSICLNAWCFEKDGAYNVTKGKALLEGYQSVRPLSEAELEALPLLSRGSALRFFLTRL----------------

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 : 1025 25673 25.05 106.97 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 25.05 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.381

(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: