Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPYIVDVYAREVLDSRGNPTVEVEVYTETGAFGRALVPSGASTGEYEAVELRDGDKDRYLGKGVLTAVNNVNEIIAPELLGFDVTEQNAIDQLLIELDGTENKGKLGANAILGVSMACARAAADFLQIPLYQYLGGFNSKTLPVPMMNIVNGGEHADNNVDIQEFMIMPVGAPNFREALRMGAQIFHSLKSVLSAKGLNTAVGDEGGFAPNLGSNEEALQTIVEAIEKAGFKPGEEVKLAMDAASSEFYNKEDGKYHLSGEGVVKTSAEMVDWYEELVSKYPIISIEDGLDENDWEGHKLLTERLGKKVQLVGDDLFVTNTKKLSEGIKNGVGNSILIKVNQIGTLTETFDAIEMAKRAGYTAVISHRSGETEDSTIADIAVATNAGQIKTGAPSRTDRVAKYNQLLRIEDQLAETAQYHGINSFYNLNK 3UJ2 Chain:E ((28-449)) ---IEKVIGREIIDSRGNPTVEAEVYLAGGVTGRGTAPSG---GEFEALELRDGDKGRFGGKGVTKAVQNINTEISEILSGMDASDIYAVDRAMIDADGTKDKSKFGANAVLAVSIACAKAAAAALGVPLYRFLGGLNANRLPVPMMNILNGGAHAANTVDVQEFMIMPVGAESFREALRQCTEVFHALAGLLKSKGLATSVGDEGGFAPDLASDEEAIEYILEAVKLAGYEPGRDFVLAMDAASSEWKGEKKGEYILPKCKRKFASEELVAHWKSLCERYPIVSIEDGLDEEDWEGWQYMTRELGDKIQLVGDDLFVTNTERLNKGIKERCGNSILIKLNQIGTVSETLEAIKMAHKAGYTAVVSHRSGETEDTTIADLAVALNTGQIKTGAPSRSERVAKYNQLLRIEEELGDSAVYPGFTTF-----

General information: TITO was launched using: RESULT: Template: 3UJ2.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 2734 -162452 -59.42 -387.71 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain E : 0.90 3D Compatibility (PKB) : -59.42 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.581

(partial model without unconserved sides chains): PDB file : Tito_3UJ2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UJ2-query.scw PDB file : Tito_Scwrl_3UJ2.pdb: