Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALRHFLTLRDLSTLELNRILERASELKKMQQSNKVYQPFVGKVLGMIFEKSSTRTRISFEAGINQFGGSAIFLSPRDTQLGRGEPIEDSARVISSMLDIVMIRTFGHDIVERFASYSKVPVINGLTDDHHPCQLLADLQTYIEYRGSIEGKTV-----AWIGDG-NNMCNSYIEAAHMMGFKLKIASPKGYEPKPEFLA-------EFGHCVELFDNAEDAAVNADLIVTDVWASMGQEEEQ-KLREKAFADFQVNEKLMG-LAHPDCLFMHCLPAH-----------------RGEEISETMLDHKNAVVWDEAENRLHAQKALMEFLLNENLKKA 4JQO Chain:C ((32-352)) ---RNFLKLLDFSTKEIQFLIDLSADLKKAKYAGTEQKKLLGKNIALIFEKASTRTRCAFEVAAFDQGAQVTYIGPSGSQIGDKESMKDTARVLGRMYDGIQYRGFGQAIVEELGAFAGVPVWNGLTDEFHPTQILADFLTMLEHS---QGKALADIQFAYLGDARNNVGNSLMVGAAKMGMDIRLVGPQAYWPDEELVAACQAIAKQTGGKITLTENVAEGVQGCDFLYTDVWVSMGESPEAWDERVALMKPYQVNMNVLKQTGNPNVKFMHCLPAFHNDETTIGKQVADKFGMKGLEVTEEVFESEHSIVFDEAENRMHTIKAVM-----------

General information: TITO was launched using: RESULT: Template: 4JQO.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 : 1456 -42822 -29.41 -148.17 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain C : 0.80 3D Compatibility (PKB) : -29.41 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.541

(partial model without unconserved sides chains): PDB file : Tito_4JQO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4JQO-query.scw PDB file : Tito_Scwrl_4JQO.pdb: