Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKVDLFDFELPERLIAQVPLEQRDASRLMVLDKHTGELTDSSFKHIISFFNEGDCLVLNNTRVLPARLFGTKEDTGAKVELLLLKQETGDKWETLAKPAKRVKKGTVVTFGDGRLKAICTEELEHGGRKMEFQYDGIFYEVLESLGEMPLPPYIKEQLDDKERYQTVYSKEIGSAAAPTAGLHFTEEILQQLKDKGVQIEFITLHVGLGTFRPVSADEVEEHNMHAEFYQMSEETAAALNKVRENGGRIISVGTTSTRTLETIAGEHDGQFKASSGWTSIFIYPGYEFKAIDGMITNFHLPKSSLIMLVSALAGRENILRAYNHAVEEEYRFFSFGDAMLII 2WBQ Chain:A ((300-322)) ------------------------------------------------VLDQGDVAFIDNRRAVHGRRAFQ-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2WBQ.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 : 12 -3448 -287.29 -149.89 target 2D structure prediction score : 0.78 Monomeric hydrophicity matching model chain A : 0.53 3D Compatibility (PKB) : -287.29 2D Compatibility (Sec. Struct. Predict.) : 0.78 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.418

(partial model without unconserved sides chains): PDB file : Tito_2WBQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WBQ-query.scw PDB file : Tito_Scwrl_2WBQ.pdb: