Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMNHQFSSLERDRMLTDMTKKTYDLFIIGGGITGAGTALDAASRGMKVALSEMQDFAAGTSSRSTKLVHGGLRYLKQ-FEVKMVAEVGKERAIVYENGPH------VTTPEWMLLPFHKGGTFGSFTTSIGLRVYDFLAG-VKKSERRSMLSAKETLQKEPLVKKDGLKGGGYYV-EYRTDDARLTIEVMKEAVKFGAEPVNYSKVKELLYEKGKAVGVLIEDVLTKKEYKVYAKKIVNATGPWVDQLREKDHSKNGKHLQHTKGIHLVFDQSVFPLKQAVYFDTPDGRMVFAIPRE-GKTYVGTTDTVYKEALEHPRMTTEDRDYVIKSINYMFPELNITANDIESSWAGLRPLIHEEGKDPSEISRKDEIWTSDSGLITIAG--G-KLTGYRKMAEHIVDLVRDRLKEEGEKDFGPCKTKNMPISGGHVGGSKNLMSFVTAKTKEGIAAGLSEKDAKQLAIRYGSNVDRVFDRVEALKDEAAKRNIPVHILAEAEYSIEEEMTATPADFFVRRTGRLFFDINWVRTYKDAVIDFMSERFQWDEQAKNKHTENLNKLLHDAVVPLEQ 4YSH Chain:A ((2-355)) -------------------THRYDVAIVGGGVIGAAIGFELAKRRHRVAIFEKGTMGSGASSAAAGMLGAQSEFSTSSPLVPLALQSRALMPALAEELRERTGIDIGLVEKGLIKLATTEEE--A------DDLYRHYTFWRGIGEPVQWLTKGEALEMEPRLAEA-LAGAMYIPGDGQVSAPDLAAALAYAAASAGACLYEYTEVFDIRSDSSG-HVLDT----T--GGTFAAEAVVIASGAWAARLGARVGL--SLSVYPVKGECVMVRAPVPLLQTTVFA----KNGCYIVPKSGNRLLIGATSTPGT---FDRRVSAGGVMNLLHRAAHLVPD--IEQAEWVASWSGIRPQTEDGL--P-YLGEH----PERRGLFVAAGHYRNGILLSPLTGLLVADLVERK-----------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4YSH.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 : 2083 -184342 -88.50 -540.59 target 2D structure prediction score : 0.52 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -88.50 2D Compatibility (Sec. Struct. Predict.) : 0.52 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.329

(partial model without unconserved sides chains): PDB file : Tito_4YSH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YSH-query.scw PDB file : Tito_Scwrl_4YSH.pdb: