Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -MRAEEQSKIREAAAGTIFLLIGTVCFASKSIWIKWAYQMGAEPDAVLLYRQLLAVPLFWLIFLIYRPPMPDGKKKGDLWKACGAGVFCFFLSPLLDFIGLNHVSAMVERILLMSYPLFVFGFTACRDRKMSSIQDLFAVLAVMFGLFLALGGWNAELFQANMIGAVFILLS--SAVYAGYLVLSGHLVHQIGGIRLNAYGMTAAGAAMMLYTGIKSAAGMNTPMAAYPLSMYGLFAVIAVV--TTVIPFV---LMLEGIKRIGAQRAAAISMA---GPILTIFYGALFLGERLGLIQVIGCGGVFFV-ITGMEYRKLKTGKKE- 1HQ0 Chain:A ((1-295)) SIESTSKSNFQKLSRGNIDVLKGRGSISSTR-----------QRAIYPYFEAANADEQQPLFFYIKKDRFDNH------------GYDQYFYDNTVGPNGIPTLNTYTGEIPSDSSSL---GSTYWKKYNLTNETSIIRVSNSARG----ANGIKIALEEVQEGKPVIITSGNLSGCTTIVARKEGYIYKVHTGTTKSLAGFTSTTGVKKAVEVLELLTKEPIPRVEGIMSNDFLVDYLSENFEDSLITYSSSEKKPDSQITIIRDNVSVFPYFLDNIPEHGFGTSATVLVRVDGNVVVRSLSESYSLNADASEISVLKVFSKKF

General information: TITO was launched using: RESULT: Template: 1HQ0.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 : 1723 -191690 -111.25 -679.75 target 2D structure prediction score : 0.34 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : -111.25 2D Compatibility (Sec. Struct. Predict.) : 0.34 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.255

(partial model without unconserved sides chains): PDB file : Tito_1HQ0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1HQ0-query.scw PDB file : Tito_Scwrl_1HQ0.pdb: