Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRK----TMCGTLDYLPPEMIEGRMHN-EKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA 4CZT Chain:D ((1-273)) ----------------------------------------------------------------PGIHSGRTRVGKYELGRTLGEGTFAKVKFARNVENGDNVAIKVIDKEKVLKNKMIAQIKREISTMKLIKHPNVIRMFEVMASKTKIYFVLEFVTGGELFDKISSNGRLKEDEARKYFQQLINAVDYCHSRGVYHRDLKPENLLLDANGALKVSDFGLSALPQQVREDGLLHTTCGTPNYVAPEVINNKGYDGAKADLWSCGVILFVLMAGYLPFEDSNLTSLYKKIFKAEFTCPPWFSASAKKLIKRILDPNPATRITFAEVIENEWFK----------------

General information: TITO was launched using: RESULT: Template: 4CZT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1306 -79023 -60.51 -299.33 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain D : 0.75 3D Compatibility (PKB) : -60.51 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.359

(partial model without unconserved sides chains): PDB file : Tito_4CZT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4czt-query.scw PDB file : Tito_Scwrl_4CZT.pdb: