Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAQKENSYPWPYGRQTAPSGLSTLPQRVLRKEPVTPSALVLMSRSNVQPTAAPGQKVMENSSGTPDILTRHFTIDDFEIGRPLGKGKFGNVYLAREKKSHFIVALKVLFKSQIEKEGVEHQLRREIEIQAHLHHPNILRLYNYFYDRRRIYLILEYAPRGELYKELQKSCTFDEQRTATIMEELADALMYCHGKKVIHRDIKPENLLLGLKGELKIADFGWS-VHAPSLRRKTMCGTLDYLPPEMIEGRMHNEKVDLWCIGVLCYELLVGNPPFESASHNETYRRIVKVDLKFPASVPMGAQDLISKLLRHNPSERLPLAQ------VSAHPWVRANSRRVLPPSALQSVA 3QC4 Chain:B ((35-299)) --------------------------------------------------------------------------EDFKFGKILGEGSFSTVVLARELATSREYAIKILEKRHI--------VTRERDVMSRLDHPFFVKLYFTFQDDEKLYFGLSYAKNGELLKYIRKIGSFDETCTRFYTAEIVSALEYLHGKGIIHRDLKPENILLNEDMHIQITDFGTAKVLSPES----FVGTAQYVSPELLTEKSACKSSDLWALGCIIYQLVAGLPPFRAGNEYLIFQKIIKLEYDFPAAFFPKARDLVEKLLVLDATKRLGCEEMEGYGPLKAHPFFES---------------

General information: TITO was launched using: RESULT: Template: 3QC4.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 : 1182 -95759 -81.01 -394.07 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain B : 0.74 3D Compatibility (PKB) : -81.01 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.321

(partial model without unconserved sides chains): PDB file : Tito_3QC4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3qc4-query.scw PDB file : Tito_Scwrl_3QC4.pdb: