Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRAEEQSKIREAAAGTIFLLIGTVCFASKSIWIKWAYQMGAEPDAVLLYRQLLAVPLFWLIFLIYRPPMPDGKKKGDLWKACGAGVFCFFLSPLLDFIGLNHVSAMVERILLMSYPLFVFGFTACRDRKMSSIQDLFAVLAVMFGLFLALGGWNAELFQANMIGAVFILLSSAVYAGYLVLSGHLVHQIGGIRLNAYGMTAAGAAMMLYTGIKSAAGMNTPMAAYPLSMYGLFAVIAVVTTVIPFVLMLEGIKRIG-----AQRAAAISMAGP-ILTIFYGALFLGERLGLI-QVIGCGGVFFVITGMEYRKLKTGKKE 1QCD Chain:A ((84-153)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LFGPMIAVELEIPFVLMRKADKNAGLLIRSEPYEKEYKEAAPEVMTIRYGSIGKGSRVVLIDDVLATGGT------------------

General information: TITO was launched using: RESULT: Template: 1QCD.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 : 118 -18137 -153.70 -287.88 target 2D structure prediction score : 0.24 Monomeric hydrophicity matching model chain A : 0.46 3D Compatibility (PKB) : -153.70 2D Compatibility (Sec. Struct. Predict.) : 0.24 1D Compatibility (Hydrophobicity) : 0.46 QMean score : -0.102

(partial model without unconserved sides chains): PDB file : Tito_1QCD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1QCD-query.scw PDB file : Tito_Scwrl_1QCD.pdb: