Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPYIVDVYAREVLDSRGNPTVEVEVYTETGAFGRALVPSGASTGEYEAVELRDGDKDRYLGKGVLTAVNNVNEIIAPELLGFDVTEQNAIDQLLIELDGTENKGKLGANAILGVSMACARAAADFLQIPLYQYLGGFNSKTLPVPMMNIVNGGEHADNNVDIQEFMIMPVGAPNFREALRMGAQIFHSLKSVLSAKGLNTAVGDEGGFAPNLGSNEEALQTIVEAIEKAGFKPGEEVKLAMDAASSEFYNKEDGKYHLSGEGVVKTSAEMVDWYEELVSKYPIISIEDGLDENDWEGHKLLTERLGKKVQLVGDDLFVTNTKKLSEGIKNGVGNSILIKVNQIGTLTETFDAIEMAKRAGYTAVISHRSGETEDSTIADIAVATNAGQIKTGAPSRTDRVAKYNQLLRIEDQLAETAQYHGINSFYNLNK 4YWS Chain:B ((8-424)) ------IVAREVLDSRGNPTIEVDVRLESGDVGRAIVPSG----------LRDGDKSRYNGKGVLKAVQAVNEDIAEALIGFDAADQIALDQELIALDGTPNKSKLGANAILGVSLAAAKAAAAAFGLPLYRYLGGVYAHVLPVPMMNIMNGGQHAT---DFQEFMIMPVGAESFREGLRWGAEIYHMLKKVIHDR--------EGGFAPSL-TNDAPLQLIMEAIEKAGYRPGEQIVIALDPATTEIF------YHLK-EGR--SSAEMVDYWVDLVNRYPIISLEDGLAEDDWEGWALL-AKLGDRVQLVGDDFLVTNVQRLQRAIEAKAANSILIKLNQIGSLTETLSAIQLAQRSGWTAVVSHRSG-SEDVTIADLVVATNAGQIKTGAPA-TDRIAKYNQLLRIEEELGSAARYAGRSAF-----

General information: TITO was launched using: RESULT: Template: 4YWS.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2283 -196109 -85.90 -509.37 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.88 3D Compatibility (PKB) : -85.90 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.580

(partial model without unconserved sides chains): PDB file : Tito_4YWS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YWS-query.scw PDB file : Tito_Scwrl_4YWS.pdb: