Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSIITDVYAREILDSRGNPTIEVEVYTESGAFGRGMVPSGASTGEYEAVELRDGDKARYGGKGVTKAVDNVNNIIAEAII--GYDVRDQMAIDKAMIALDGTPNKGKLGANAILGVSIAVARAAADYLEVPLYHY---LGGFNTKVLPTPMMNIINGGSHADNSIDFQEFMIMPVGAPTFKEALRMGAEVFHALASILKAR-GL-ATSVGDEGGFAPNLGSNEEGFEVIIEAIEKAGYVPGKDVVLAMDAASSEFYDKEKGVYVL-----ADSGEGEKTTDEMIKFYEELVSKYPIISIEDGLDENDWDGFKKLTDVLGDKVQLVGDDLFVTNTQKLSEGIEKGIANSILIKVNQIGTLTETFEAIEMAKEAGYTAVVSHRSGETEDSTISDIAVATNAGQIKTGSLSRTDRIAKYNQLLRIEDQLGEVAEYKGLKSFYNLKNK 1PDZ Chain:A ((3-430)) ---ITKVFARTIFDSRGNPTVEVDLYTSKGLF-RAAVPSGASTGVHEALEMRDGDKSKYHGKSVFNAVKNVNDVIVPEIIKSGLKVTQQKECDEFMCKLDGTENKSSLGANAILGVSLAICKAGAAELGIPLYRHIANLANYDEVILPVPAFNVINGGSHAGNKLAMQEFMILPTGATSFTEAMRMGTEVYHHLKAVIKARFGLDATAVGDEGGFAPNILNNKDALDLIQEAIKKAGYT-GK-IEIGMDVAASEFY-KQNNIYDLDFKTANNDGSQKISGDQLRDMYMEFCKDFPIVSIEDPFDQDDWETWSKMTS--GTTIQIVGDDLTVTNPKRITTAVEKKACKCLLLKVNQIGSVTESIDAHLLAKKNGWGTMVSHRSGETEDCFIADLVVGLCTGQIKTGAPCRSERLAKYNQILRIEEELGSGAKFAG-KNF------

General information: TITO was launched using: RESULT: Template: 1PDZ.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 : 2645 46898 17.73 112.74 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.87 3D Compatibility (PKB) : 17.73 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.87 QMean score : 0.563

(partial model without unconserved sides chains): PDB file : Tito_1PDZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1PDZ-query.scw PDB file : Tito_Scwrl_1PDZ.pdb: