Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWSVHAPSLRRKTMCGTLDYLPPEMIEGRMHNE-KVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQVSAHPWVRANSRRVLPPSALQSVA 5KZ7 Chain:B ((32-286)) -------------------------------------------------------------------------IGNYRLLKTIGKGNFAKVKLARHILTGKEVAVKIIDKTQLNSSSLQ-KLFREVRIMKVLNHPNIVKLFEVIETEKTLYLVMEYASGGEVFDYLVAHGRMKEKEARAKFRQIVSAVQYCHQKFIVHRDLKAENLLLDADMNIKIADF---------------GSPPYAAPELFQGK--DGPEVDVWSLGVILYTLVSGSLPFD--NLKELRERVLRGKYRIPFYMSTDCENLLKKFLILNPSKRGTLEQIMKDRWM-----------------

General information: TITO was launched using: RESULT: Template: 5KZ7.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1093 -116307 -106.41 -497.04 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.73 3D Compatibility (PKB) : -106.41 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.361

(partial model without unconserved sides chains): PDB file : Tito_5KZ7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5kz7-query.scw PDB file : Tito_Scwrl_5KZ7.pdb: