Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKLYGVIGNPIGHSMSPDIHNASLKDLGLDGHYHAFKVEENDLEDAVKGIRALGVQGINVTVPHKVSIMDYLDHIDESAKVLGAVNTVRREGDKLVGYNTDGEGFVKSLMKVLDKPISELSFLMIGAGGAARAIFTTIVRNTPKKFDICNRTLEKAKRLTEATPSFHNKEVLSIKEAEERLEQYDVIIHTTSVGMYPNVDDVPLSLQRAASSAVVCDIVYNPIQTALLKEASQKGLKTLDGVGMFVEQAALSFQLWTGQEPNIEKMRSIVIGKLGGTEC 2HK7 Chain:A ((7-254)) --QLYGVIGFPVKHSLSPVFQNALIRYAGLNAVYLAFEINPEELKKAFEGFKALKVKGINVTVPFKEEIIPLLDYVEDTAKEIGAVNTVKFENGKAYGYNTDWIGFLKSL-KSLIPEVKEKSILVLGAGGASRAVIYALVKEGAKVF-LWNRTKEKAIKLAQKFP------LEVVNSPEEVIDKVQVIVNTTSVGL-KDEDPEIFNYDLIKKDHVVVDIIYK--ETKLLKKAKEKGAKLLDGLPMLLWQGIEAFKIWNGCE-------------------

General information: TITO was launched using: RESULT: Template: 2HK7.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 : 1400 -172266 -123.05 -694.62 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.79 3D Compatibility (PKB) : -123.05 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.571

(partial model without unconserved sides chains): PDB file : Tito_2HK7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2HK7-query.scw PDB file : Tito_Scwrl_2HK7.pdb: