Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTI---DDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLK---GELKIADFGWSVHAPSLRR-KTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFP----ASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA 4YSJ Chain:A ((12-298)) -------------------------------------------------------KL----AATPGMFVQHSTAAFSDRYKGQRVLGKGSFGEVILCKDKVTGQEYAVKVISKR----------LLKEVELLKKLDHPNIMKLYEFFEDKGYFYLVTEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLENKRKDANIRIIDFGLSTHFESTKKMKDKIGTAYYIAPEVLHG-TYDEKCDVWSTGVILYILLSGCPPFNGANEFDILKKVEKGKFTFDLPQWKKVSEPAKDLIRKMLAYVPTMRISARDALEHEWLKTTD-------------

General information: TITO was launched using: RESULT: Template: 4YSJ.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 : 1285 30393 23.65 116.45 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 23.65 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.367

(partial model without unconserved sides chains): PDB file : Tito_4YSJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ysj-query.scw PDB file : Tito_Scwrl_4YSJ.pdb: