Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKAEFKRKGGGKVKLVVGMTGATGAIFGVRLLQWLKAAGVETHLVVSPWANVTIKHETGYTLQEVEQ-----LATYT---------YSHKDQAAAISSGSFDTDGMIVAPCSMKSLASIRTGMADNLLTRAADVMLKERKKLVLLTRETPLNQIHLENMLALTKMGTIILPPMPAFYNRPRSLEEMVDHIVFRTLDQFGIRLPEAKRWNGIEKQKGGA 4ZAG Chain:A ((3-200)) ----------GPERITLAMTGASGAQYGLRLLDCLVQEEREVHFLISKAAQLVMATQTDVALPAKPQAMQAFLTEYCGAAAGQIRVFGQNDWMAPPASGSSAPNAMVICPCSTGTLSAVATGACNNLIERAADVALKERRPLVLVPREAPFSSIHLENMLKLSNLGAVILPAAPGFYHQPQSVEDLVDFVVARILNTLGIPQDMLPRW----------

General information: TITO was launched using: RESULT: Template: 4ZAG.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 : 952 -146644 -154.04 -796.98 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -154.04 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.562

(partial model without unconserved sides chains): PDB file : Tito_4ZAG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZAG-query.scw PDB file : Tito_Scwrl_4ZAG.pdb: