Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPETSSEVAPAIKSIFQGRFFLTKLLGKGGFGEVYAAVQTSNNEMVAVKMEKNNGRNSFLFHEARVMQDIQKTPTKDGISGIATLKYFGQEGDYRMLIMSMHGASLEDFHERL-GRFSLKTTVMLAGQILSRLEYIHSVGYVHRDLKTDNFLVGKGSFSNRIFMIDFGLSSKFIGSDGKH-RDMFTGRYFLGTSRFASLRTHQGYSQSRRDDLEQLVYIMIYMYRGRLPWSGLNIKDLSAKERKIGQIKADLSYSQICAKCPQVFEHLLFYSRNMEFAETPQYDMCHALLQSVLDSMSPRETMDYVFDWNVPASKPARQSLSPRDEIAPANANAANQPNMLSGADGKGMFSGFGSSNPPENIFSIGGHGA 4TWC Chain:B ((5-292)) ---------------VGNRYRLGNKIGSGSFGDIYLGTDIAAGEEVAIKLECVKTKHPQLHIESKIYKMMQG------GVGIPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKA---RQKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGF--SYDYVFDWNM-----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4TWC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1426 -55054 -38.61 -194.54 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -38.61 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.499

(partial model without unconserved sides chains): PDB file : Tito_4TWC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4TWC-query.scw PDB file : Tito_Scwrl_4TWC.pdb: