Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPETSSEVAPAIKSIFQGRFFLTKLLGKGGFGEVYAAVQTSNNEMVAVKMEKNNGRNSFLFHEARVMQDIQKTPTKDGISGIATLKYFGQEGDYRMLIMSMHGASLEDFHERLGR-FSLKTTVMLAGQILSRLEYIHSVGYVHRDLKTDNFLVGKGSFSNRIFMIDFGLSSKFIGS-DGKHRDMFTGRYFLGTSRFASLRTHQGYSQSRRDDLEQLVYIMIYMYRGRLPWSGLNIKDLSAKERKIGQIKADLSYSQICAKCPQVFEHLLFYSRNMEFAETPQYDMCHALLQSVLDSMSPRETMDYVFDWNVPASKPARQSLSPRDEIAPANANAANQPNMLSGADGKGMFSGFGSSNPPENIFSIGGHGA 4KBC Chain:A ((8-292)) ------------------RYRLGRKIGS----DIYLGTDIAAGEEVAIKLECVKTKHPQLHIESKIYKMMQ------GGVGIPTIRWCGAEGDYNVMVMELLGPSLEDLFNFCSRKFSLKTVLLLADQMISRIEYIHSKNFIHRDVKPDNFLMGLGKKGNLVYIIDFGLAKKYRDARTHQHIPYRENKNLTGTARYASINTHLGIEQSRRDDLESLGYVLMYFNLGSLPWQGLKAATKRQKYERISEKKMSTPIEVLCKGYPSEFATYLNFCRSLRFDDKPDYSYLRQLFRNLFHRQGF--SYDYVFDWNM-----------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KBC.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 : 1321 -49493 -37.47 -177.39 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -37.47 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.474

(partial model without unconserved sides chains): PDB file : Tito_4KBC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KBC-query.scw PDB file : Tito_Scwrl_4KBC.pdb: