Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MITYVFPGQGSQKQGMG---SGLFDEFKELTDQADEILGYSIKRLCLENPYSNLNKTQFTQPALYVVNALSYLKKIRDEEVKPDFVAGHSLGEYNALFAAEAFDFETGLQLVRKRGELMSLISN---GGMAAVMGLNEEQVAKALKEYHLHDVDI-ANVNAPYQIVISGKKDEIEKAASLFETMTEVTMVLPLNVSGAFHSRYMNKAKEEFEEFLHAFYFSPPSIPVISNVYAKPY-TYEFMKQTLADQINHSVKWTDSISYLMKKGHMEFEEVGPGNVLTGLIHRIKKDAEAMPR 3K89 Chain:A ((6-298)) -LAFVFPGQGSQSLGMLAELSELHPQIRETFAEASEGAGVDLWALSQGGPEEMLNRTEYTQPALLAAGVAVWRLWTAQRGQRPALLAGHSLGEYTALVAAGVLSLHDGAHLVRLRGQFMQAAAPAGVGAMAAVLGAEDAVVLEVCAEAAGSQVVVPANFNSPGQIVIGGDAAAVDRALALLAERG-VRKAVKLAVSVPSHTPLMRDAANQLGEAMAGLSWHAPQIPVVQNVDARVHDGSAAIRQALVEQLYLPVQWTGCVQALASQGITRIAECGPGKVLSGLIKRIDKSLDARP-

General information: TITO was launched using: RESULT: Template: 3K89.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 : 1750 -169939 -97.11 -596.28 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -97.11 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_3K89.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3K89-query.scw PDB file : Tito_Scwrl_3K89.pdb: