Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTIDVAAMTRCLKTLSDQTRLIMMRLFLEQEYCVCQLVDMFEMSQPAISQHLRKLKNAGFVNEDRRGQWRYYSINGSCPEFDTLQLILHQIDQEDELLNHIKQKKTQACCQ 2KKO Chain:A ((15-83)) -------VARVGKALANGRRLQILDLLAQGERAVEAIATATGMNLTTASANLQALKSGGLVEARREGTRQYYRIAG-----------------------------------

General information: TITO was launched using: RESULT: Template: 2KKO.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 : 243 -41540 -170.94 -602.02 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : -170.94 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.591

(partial model without unconserved sides chains): PDB file : Tito_2KKO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2KKO-query.scw PDB file : Tito_Scwrl_2KKO.pdb: