Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGHYSHSDIEEAVKSAKKEGLKDYLYQEPHGKKRSHKKSHRTHKKSRSHKKSYCSHKKSRSHKKSFCSHKKSRSHKKSYCSHKKSRSHKKSYRSHKKSRSYKKSYRSYKKSRSYKKSCRSYKKSRSYKKSYCSHKKKSRSYKKSCRTHKKSYRSHKKYYKKPHHHCDDYKRHDDYDSKKEYWKDGNCWVVKKKYK 3CUQ Chain:A ((138-156)) --DVSQDDLIRAIKKLKALGT------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3CUQ.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 : 6 -546 -91.00 -28.74 target 2D structure prediction score : 0.84 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -91.00 2D Compatibility (Sec. Struct. Predict.) : 0.84 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.770

(partial model without unconserved sides chains): PDB file : Tito_3CUQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CUQ-query.scw PDB file : Tito_Scwrl_3CUQ.pdb: