Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MALRHFLTLRDLSTLELNRILERASELKKMQQSNKVYQPFVGKVLGMIFEKSSTRTRISFEAGINQFGGSAIFLSPRDTQLGRGEPIEDSARVISSMLDIVMIRTFGHDIVERFASYSKVPVINGLTDDHHPCQLLADLQTYIEYRGSIEGKTVAWIGDGNNMCNSYIEAAHMMGFKLKIASPKGYEPKPEFLA---EFGHCVELFDNAEDAAVNADLIVTDVWASMGQEEEQKLREKAFADFQVNEKLMGLAHPDCLFMHCLPAHRGEEISETMLDHKNAVVWDEAENRLHAQKALMEFLLNENLKKA 4OH7 Chain:A ((14-315)) -GIKHFIDLSTVPATELRAILEDAKARKARLKAGEVERPYAGKVLAMIFEKLSTRTRVSFDVGMRQLGGETIMLTGSEMQLGRSETIADTAKVLSRYVDAIMIRTTAHERMLELAEYATVPVINALTDDTHPCQIMADVLTYEEHRGPIKGKTFAWMGDGNNVLHSLVEAAARFDFNVNIATPKGSEPKSQYIDWARANGAGIMSTTDPEKAASGADCIVTDTWVSMGQED-HARGHNVFIPYQVNANLMAKADPKALFMHCLPAHRGEEVTDEVIDGPQSVVFDEAENRLHAQKAILAWCLQD-----

General information: TITO was launched using: RESULT: Template: 4OH7.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 : 1733 -116778 -67.38 -390.56 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -67.38 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.614

(partial model without unconserved sides chains): PDB file : Tito_4OH7.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4OH7-query.scw PDB file : Tito_Scwrl_4OH7.pdb: