Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSYGDSREKILSAATRLFQLQGYYGTGLNQIIKESGAPKGSLYYHFPGGKEQLAIEAVNEMKEYIRQKIADCMEACTDPAEGIQAFLKELSCQFSCTEDIEGLPVGLLAAETSLKSEPLREACHEAYKEWA----SVYEEKLRQTGC-SESRAKEASTVVNAMIEGGILLSLTAKNSTPLLHISSCIPDLLKR 3KNW Chain:A ((12-196)) --SEAKRQHILDSGFHLVLRKGFVGVGLQEILKTSGVPKGSFYHYFE-SKEAFGCELLKHYISDYQIRLNQLWTTETSARDKLMNYLQCWVKD-------ESCLIVKMAAEVADLSEDMRLIMNDGVKRLIARMADLIRIGQQEGSIQTSVVPDVLAQVIYQMYLGAALLSKLYKHKAPLFQALEST------

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 : 574 -79060 -137.73 -459.65 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : -137.73 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.473

(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: