Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSPKVTKEHKDKRQAEILEAAKTVFKRKGFELTTMKDVVEESGFSRGGVYLYFSSTEEMFRRIIETGLDEGLRKLDKSAE-HQSVWASISSYLDEL--TEGLRDVADTLAPVQFEYLVTAWRNEERRQYLEKRYDLFVERFSRLLQKGIDQGEFQPVQPLATIAKFFLNMNDGIIQNALYFDEEKADVSGLAESAKLYLKTVLQADEK 3KZ9 Chain:A ((11-179)) -----TRLSPLKRKQQLMEIALEVFARRGIGRGGHADIAEIAQVSVATVFNYFPTREDLVDEVLNHVVRQFSNFLSDNIDLDLHAKENIANITNAMIELVV---QDNHWLKVWFEWS--ASTRDEVWPLFVTTNRTNQLLVQNMFIKAIERGEVCDQHNPEDLANLFHGICYSLFVQAN-----------------------------

General information: TITO was launched using: RESULT: Template: 3KZ9.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 : 613 -83995 -137.02 -505.99 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -137.02 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.561

(partial model without unconserved sides chains): PDB file : Tito_3KZ9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KZ9-query.scw PDB file : Tito_Scwrl_3KZ9.pdb: