Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ----PQPSDGLRRTWEEARENDCEVRIFSDK-----VNKYIQPLDRFFITPGLETHYIINAGGVQYPVSFLAPK--GCEAAIT--GKLPPTYGV 2KD2 Chain:A ((86-179)) GPLGSENRSKTTSTWVLRLDGEDLRVVLEKDTMDVWCNGQKMETAGEFVDDGTETHFSVGNHDCYIKAVSSGKRKEGIIHTLIVDNREIPELTQ

General information: TITO was launched using: RESULT: Template: 2KD2.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 : 251 12800 51.00 158.02 target 2D structure prediction score : 0.36 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : 51.00 2D Compatibility (Sec. Struct. Predict.) : 0.36 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.150

(partial model without unconserved sides chains): PDB file : Tito_2KD2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2kd2-query.scw PDB file : Tito_Scwrl_2KD2.pdb: