Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSPRAVVQLGKAQPAGEELATANQTAQQPSSPAMRRLTVDDFEIGRPLGKGKFGNVYLARLKESHFIVALKVLFKSQIEKEGLEHQLRREIEIQAHLQHPNILRLYNYFHDARRVYLILEYAPRGELYKELQKSEKLDEQRTATIIEELADALTYCHDKKVIHRDIKPENLLLGFRGEVKIADFGWSVHTPSLRRKTMCGTLDYLPPEMIEGRTYDEKVDLWCIGVLCYELLVGYPPFESASHSETYRRILKVDVRFPLSMPLGARDLISRLLRYQPLERLPLAQILKHPWVQAHSRRVLPPCAQMAS 3W2C Chain:A ((2-260)) --------------------------------------ALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQ------------EVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYC---------IKPENLLLGSAGELKIAD-----------------TLDYLPPEMIE-------VDLWSLGVLCYEFLVGKPPFEANTYQ--YKRISRVEFTFPDFVTEGARDLISRLLKHNP-----------HPWITANS------------

General information: TITO was launched using: RESULT: Template: 3W2C.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 : 892 -140128 -157.09 -697.15 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.81 3D Compatibility (PKB) : -157.09 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.344

(partial model without unconserved sides chains): PDB file : Tito_3W2C.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3w2c-query.scw PDB file : Tito_Scwrl_3W2C.pdb: