Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVTIKKDFIPVSNDNRPGYAMAPAYITVHNTANTAKGADAKMHAKFVKNPNTSESWHFTVDDSVIYQHLPIDENGWHAGDGTNGTGNRKSIGIEICENADG--DFEKATSNAQWLIRKLMKENNIPLNRVVPHKKWSGKECPRKLL--DHWNSFLNGISSSDTPPKETSPSYPLPSGVIKLTSPYRKGTNILQLQKALAVLHFYPDKGAKNNGIDGVYGPKTANAVKRFQLMNGLTADGIYGPKTKAKLKSKLK 2AR3 Chain:C ((1-157)) MEIRKKLVVPSKYGTKCPYTMKPKYITVHNTYNDAP---AENEVNYMITNNNEVSFHVAVDDKQAIQGIPWERNAWACGDG-NGPGNRESISVAICYSKSGGDRYYKAENNAVDVVRQLMSMYNIPIENVRTHQSWSGKYCPHRMLAEGRWGAFIQKVKSG---------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2AR3.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 858 2918 3.40 19.07 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain C : 0.69 3D Compatibility (PKB) : 3.40 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.456

(partial model without unconserved sides chains): PDB file : Tito_2AR3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2AR3-query.scw PDB file : Tito_Scwrl_2AR3.pdb: