Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSELLATYLLTEPGADTEKKAEQIATGLTVGSWTDLPLVKQEQMQKHKGRVIKVEEREGTAASEKQAVITIAYPEINFSQDIPALLTTVFGKLSLDGK----IKLIDLHFSEAFKRALPGPKFGVYGIRKLLGEFERPLLMSIFKGVIGRDLSDIKEQLRQQALGGVDLIKDDEIFFETGLAPFETRIAEGKQILKETYEQTGHKTLYAVNLTGRTADLKDKARRAAELGADALLFNVFAYGLDVMQGLAEDPEIPVPIMAHPAVSGAFTSSPFYGFSHALLLGKLNRYCGADFSLFPSPYGSVALPRADALAIHEECVRE-DAFNQTFAVPSAGIHPGMVPLLMRDFG-IDHIINAGGGVHGHPNGAQGGGRAFRAIIDAVLEAQPIDEKAEQCKDLKLALDKWGKAEAV 2QYG Chain:A ((96-429)) --------------------------------------------------------------------VTIAHPHGNFGAKIPNLLSAVCGEGVFFSPGIPLIRLQDIRFPEPYLAAFDGPRFGIAGVRERLQAFDRPIFFGVIKPNIGLPPQPFAELGYQSWTGGLDIAKDDEMLADVDWCPLAERAALLGDACRRASAETGVPKIYLANITDEVDRLTELHDVAVANGAGALLINAMPVGLSAVRMLRK--HATVPLIAHFPFIAAFSRLANYGI-HSRVMTRLQRLAGFDVVIMPGFGPRMMTPEHEVLDCIRACLEPMGPIKPCLPVPGGSDSAATLENVYRKVGSADFGFVPGRGVFGHPMGPAAGATSIRQAWDAIAAGIPVPDHAASHPELAAALRAF------

General information: TITO was launched using: RESULT: Template: 2QYG.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 : 1884 -214517 -113.86 -654.02 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -113.86 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.534

(partial model without unconserved sides chains): PDB file : Tito_2QYG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2QYG-query.scw PDB file : Tito_Scwrl_2QYG.pdb: