Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSPKVTKEHKDKRQAEILEAAKTVFKRKGFELTTMKDVVEESGFSRGGVYLYFSSTEEMFRRIIETGLDEGLRKLDKSAE-HQSVWASISSYLDEL-TEGLRDVADTLA--PVQFEYLVT-AWRNEERRQYLEKRYDLFVERFSRLLQKGIDQGEFQPVQPLATIAKFFLNMNDGIIQNALYFDEEKADVSGLAESAKLYLKTVLQADEK 3KNW Chain:A ((12-201)) ---------SEAKRQHILDSGFHLVLRKGFVGVGLQEILKTSGVPKGSFYHYFESKEAFGCELLKHYISDYQIRLNQLWTTETSARDKLMNYLQCWVKD----------ESCLIVKMAAEVADLSEDMRLIMNDGVKRLIARMADLIRIGQQEGSIQTSVVPDVLAQVIYQMYLGAALLSKLYKH-KAPLFQALESTKMMLD--------

General information: TITO was launched using: RESULT: Template: 3KNW.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 : 607 -91038 -149.98 -514.34 target 2D structure prediction score : 0.79 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -149.98 2D Compatibility (Sec. Struct. Predict.) : 0.79 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.607

(partial model without unconserved sides chains): PDB file : Tito_3KNW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KNW-query.scw PDB file : Tito_Scwrl_3KNW.pdb: