Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPETSSEVAPAIKSIFQGRFFLTKLLGKGGFGEVYAAVQTSNNEMVAVKMEKNNGRNSFLFHEARVMQDIQKTPTKDGISGIATLKYFGQEGDYRMLIMSMHGASLEDFHERLGR-FSLKTTVMLAGQILSRLEYIHSVGYVHRDLKTDNFLVGKGSFSNRIFMIDFGLSSKFIGS-DGKHRDMFTGRYFLGTSRFASLRTHQGYSQSRRDDLEQLVYIMIYMYRGRLPWSGLNIKDLSAKERKIGQIKADLSYSQICAKCPQVFEHLLFYSRNMEFAETPQYDMCHALLQSVLDSMSPRETMDYVFDWNVPASKPARQSLSPRDEIAPANANAANQPNMLSGADGKGMFSGFGSSNPPENIFSIGGHGA 5MQV Chain:A ((28-312)) ------------------RYRLGRKIGSGSFGDIYLGTDIAAGEEVAIKLECVKTKHPQLHIESKIYKMMQ------GGVGIPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKAATKRQKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQG--FSYDYVFDWNM-----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5MQV.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 : 1348 -45873 -34.03 -162.09 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -34.03 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_5MQV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MQV-query.scw PDB file : Tito_Scwrl_5MQV.pdb: