Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPETSSEVAPAIKSIFQGRFFLTKLLGKGGFGEVYAAVQTSNNEMVAVKMEKNNGRNSFLFHEARVMQDIQKTPTKDGISGIATLKYFGQEGDYRMLIMSMHGASLED-FHERLGRFSLKTTVMLAGQILSRLEYIHSVGYVHRDLKTDNFLVGKGSFSNRIFMIDFGLSSKFIGSDGKHRDMFTGRY---FLGTSRFASLRTHQGYSQSRRDDLEQLVYIMIYMYRGRLPWSGLNIKDLSAKERKIGQIKADLSYSQICAKCPQVFEHLLFYSRNMEFAETPQYDMCHALLQSVLDSMSPRETMDYVFDWNVPASKPARQSLSPRDEIAPANANAANQPNMLSGADGKGMFSGFGSSNPPENIFSIGGHGA 5FQD Chain:C ((16-307)) --------------IVGGKYKLVRKIGSGSFGDIYLAINITNGEEVAVKLESQKARHPQLLYESKLYKILQ------GGVGIPHIRWYGQEKDYNVLVMDLLGPSLEDLFNFCSRRFTMKTVLMLADQMISRIEYVHTKNFIHRDIKPDNFLMGIGRHCNKLFLIDFGLAKKY--RDNRTRQHIPYREDKNLTGTARYASINAHLGIEQSRRDDMESLGYVLMYFNRTSLPWQGLKAATKKQKYEKISEKKMSTPVEVLCKGFPAEFAMYLNYCRGLRFEEAPDYMYLRQLFRILFRTLN--HQYDYTFDWTMLKQ--------------------------------------------------------

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 C - contact count / total energy / energy per contact / energy per residue : 1444 -85798 -59.42 -297.91 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain C : 0.77 3D Compatibility (PKB) : -59.42 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.418

(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: