Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLYGVIGNPIGHSMSPDIHNASLKDLGLDGHYHAFKVEENDLEDAVKGIRALGVQGINVTVPHKVSIMDYLDHIDESAKVLGAVNTVRREGDKLVGYNTDGEGFVKSLMKVLDKPISELSFLMIGAGGAARAIFTTIVRNTPKKFDICNRTLEKAKRLTEATPSFHNKEVLSIKEAEERLEQYDVIIHTTSVGMYPNVDDVPLSLQRAASSAVVCDIVYNPIQTALLKEASQKGLKTLDGVGMFVEQAALSFQLWTGQEPNIEKMRSIVIGKLGGTEC 2HK9 Chain:B ((13-260)) --QLYGVIGFPVKHSLSPVFQNALIRYAGLNAVYLAFEINPEELKKAFEGFKALKVKGINVTVPFKEEIIPLLDYVEDTAKEIGAVNTVKFENGKAYGYNTDWIGFLKSL-KSLIPEVKEKSILVLGAGGASRAVIYALVKEGAKVF-LWNRTKEKAIKLAQKFP------LEVVNSPEEVIDKVQVIVNTTSVGL-KDEDPEIFNYDLIKKDHVVVDIIYK--ETKLLKKAKEKGAKLLDGLPMLLWQGIEAFKIWNGCE-------------------

General information: TITO was launched using: RESULT: Template: 2HK9.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1394 -165402 -118.65 -666.94 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -118.65 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.587

(partial model without unconserved sides chains): PDB file : Tito_2HK9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HK9-query.scw PDB file : Tito_Scwrl_2HK9.pdb: