Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGTRSKRAQDVLIGGRFRIQERLGGGAFGEVFRGVELNSGHPVAMKMELTKDGHRSHLNLENRIYKKFNECPVTVGIPKSYYCGRVGDYTVMVMDLLGPCLDDLFEVCHRKFSFKTVCMIGIQLIQRLQYLHSVGYLHRDIKPENFVMGVGANSHIVYVIDVGLSKAWRDSTGK-HILYAEGKSLTGTARYVSINTHRGIQQSRRDDLESVSYLLAYFARGNLPWQGLKSPKRDARFERIRDVKTATSPAELCKGYPRQLADYIEYTRSLGFEAEPDYSYCVGLFSSAMADMGEQYDYCYQWIDRSEAEVKAASDARGSAHSLRTSGAQTSVAVGGSNLMTSSVFVGDSAVNEMSKSLLNSNFMEEIQDYYGLNDYI 5FQD Chain:F ((14-305)) ---------EFIVGGKYKLVRKIGSGSFGDIYLAINITNGEEVAVKLESQKAR-HPQLLYESKLYKILQGGV---GIPHIRWYGQEKDYNVLVMDLLGPSLEDLFNFCSRRFTMKTVLMLADQMISRIEYVHTKNFIHRDIKPDNFLMGIGRHCNKLFLIDFGLAKKYRDNRTRQHIPYREDKNLTGTARYASINAHLGIEQSRRDDMESLGYVLMYFNRTSLPWQGLKAATKKQKYEKISEKKMSTPVEVLCKGFPAEFAMYLNYCRGLRFEEAPDYMYLRQLFRILFRTLNHQYDYTFDWTML------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5FQD.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain F - contact count / total energy / energy per contact / energy per residue : 1452 -109797 -75.62 -377.31 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain F : 0.78 3D Compatibility (PKB) : -75.62 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_5FQD.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5FQD-query.scw PDB file : Tito_Scwrl_5FQD.pdb: