Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKMSDEALKIIEESQNREKLKQVIDLIEERLVEHAIVPTELQ----WTILINHLNEMLKRSQRKETIPVVDR-DLFKEVSKEAITISDEIVRSIGNLTDDEIYVLSIHFETAKNN 4ZZJ Chain:A ((19-80)) --------------------------ILKDLLPETIPPPELDDMTLWQIVINILSEPPKRKKRKDINTIEDAVKLLQECKK----------------------------------

General information: TITO was launched using: RESULT: Template: 4ZZJ.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 : 52 -11756 -226.08 -235.12 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -226.08 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.339

(partial model without unconserved sides chains): PDB file : Tito_4ZZJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZZJ-query.scw PDB file : Tito_Scwrl_4ZZJ.pdb: