Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA 3W2C Chain:G ((1-260)) -----------------------------------------------------------------------WALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQ------------EVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYC----------KPENLLLGSAGELKIAD-----------------TLDYLPPEMIE-------VDLWSLGVLCYEFLVGKPPFEANTYQ--YKRISRVEFTFPDFVTEGARDLISRLLKHNP-----------HPWITANS-------------

General information: TITO was launched using: RESULT: Template: 3W2C.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain G - contact count / total energy / energy per contact / energy per residue : 889 -129842 -146.05 -645.98 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain G : 0.78 3D Compatibility (PKB) : -146.05 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.319

(partial model without unconserved sides chains): PDB file : Tito_3W2C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3w2c-query.scw PDB file : Tito_Scwrl_3W2C.pdb: