Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVTIKKDFIPVSND-NRPGYAMAPAYITVHNTANTAKGADAKMHAKFVKNPNT-SESWHFTVDDSVIYQHLPIDENGWHAGDGTNGTGNRKSIGIEICENADG-DFEKATSNA-QWLIRKLMKENNIPLNRVVPHKKWSGKECPRKLLD--HWNSFLNGISSSDTPPKETSPSYPLPSGVIKLTSPYRKGTNILQLQKALAVLHFYPDKGAKNNGIDGVYGPKTANAVKRFQLMNGLTADGIYGPKTKAKLKSKLK 1YB0 Chain:A ((1-157)) -MEIRKKLVVPSKYGTKCPYTMKPKYITVHNTYNDA-PAENE-VNYMI--TNNNEVSFHVAVDDKQAIQGIPWERNAWACGDGN-GPGNRESISVEICYSKSGGDRYYKAENNAVDVVRQLMSMYNIPIENVRTHQSWSGKYCPHRMLAEGRWGAFIQKVKSG---------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1YB0.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 : 840 20141 23.98 133.38 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 23.98 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_1YB0.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1YB0-query.scw PDB file : Tito_Scwrl_1YB0.pdb: