Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSSPRAVVQLGKAQPAGEELATANQTAQQPSSPAMRRLTVDDFEIGRPLGKGKFGNVYLARLKESHFIVALKVLFKSQIEKEGLEHQLRREIEIQAHLQHPNILRLYNYFHDARRVYLILEYAPRGELYKELQKSEKLDEQRTATIIEELADALTYCHDKKVIHRDIKPENLLLGFRGEVKIADFGWSVHTPSLRRKTMCGTLDYLPPEMIEGRTYDEKVDLWCIGVLCYELLVGYPPFESASHSETYRRILKVDVRFPLSMPLGARDLISRLLRYQPLERLPLAQILKHPWVQAHSRRVLPPCAQMAS 3W2C Chain:C ((2-260)) --------------------------------------ALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQ------------EVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYC----------KPENLLLGSAGELKIAD-----------------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 C - contact count / total energy / energy per contact / energy per residue : 871 -139193 -159.81 -695.96 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain C : 0.80 3D Compatibility (PKB) : -159.81 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.340

(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: