Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLARE---KKSHFIVALKVLFKSQIEKEGVEH-QLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGW---SVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERL-----PLAQVSAHP------WVRANSRRVLPPSALQSVA 3WF9 Chain:A ((21-298)) ----------------------------------------------------------------------------FELLRVLGKGGYGKVFQVRKVTGANTGKIFAMKVLKKAMIVRNAKDTAHTKAERNILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQLEREGIFMEDTACFYLAEISMALGHLHQKGIIYRDLKPENIMLNHQGHVKLTDFGLCKESIHDGTVTHT-FCGTIEYMAPEILMRSGHNRAVDWWSLGALMYDMLTGAPPFTGENRKKTIDKILKCKLNLPPYLTQEARDLLKKLLKRNAASRLGAGPGDAGEVQAHPFFRHINWEELLARKVEPP-------

General information: TITO was launched using: RESULT: Template: 3WF9.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 : 1239 7497 6.05 28.83 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : 6.05 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.377

(partial model without unconserved sides chains): PDB file : Tito_3WF9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3wf9-query.scw PDB file : Tito_Scwrl_3WF9.pdb: