Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPETSSEVAPAIKSIFQGRFFLTKLLGKGGFGEVYAAVQTSNNEMVAVKMEKNNGRNSFLFHEARVMQDIQKTPTKDGISGIATLKYFGQEGDYRMLIMSMHGASLEDFHERL-GRFSLKTTVMLAGQILSRLEYIHSVGYVHRDLKTDNFLVGKGSFSNRIFMIDFGLSSKFIGSDGKH-RDMFTGRYFLGTSRFASLRTHQGYSQSRRDDLEQLVYIMIYMYRGRLPWSGLNIKDLSAKERKIGQIKADLSYSQICAKCPQVFEHLLFYSRNMEFAETPQYDMCHALLQSVLDSMSPRETMDYVFDWNVPASKPARQSLSPRDEIAPANANAANQPNMLSGADGKGMFSGFGSSNPPENIFSIGGHGA 4TWC Chain:A ((5-292)) ---------------VGNRYRLGNKIGSGSFGDIYLGTDIAAGEEVAIKLECVKTKHPQLHIESKIYKMMQG------GVGIPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLK-ATKRQKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGF--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 A - contact count / total energy / energy per contact / energy per residue : 1428 -56856 -39.82 -199.49 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -39.82 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.488

(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: