Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPGRSCVALVLLAAAVSCAVAQHAPPWTEDCRKSTYPPSGPTYRGAVPWYTINLDLPPYKRWHELMLDKAPVLKVIVNSLKNMINTFVPSGKIMQVVDEKLPGLLGNFPGPFEEEMKGIAAVTDIPLGEIISFNIFYELFTICTSIVAEDKKGHLIHGRNMDFGVFLGWNINNDTWVITEQLKPLTVNLDFQRNN--------------KTVFKASSFA-GYVGMLTGFKPGLFSLTLNERFSINGGYLGILEWILGKKDVMWIGFLTRTVLENSTSYEEAKNLLTKTKI----------LAPAYFILGGNQSGEGCVITRDRKESLDVYELDAKQGRWYVVQTNYDR----------WKH------------------P--FFLDDRRTPAKMCLNRTSQ---ENISFETMYDVLSTK--P--V------LNKLTVYTTLIDVTKGQFETYLRDCPDPCIGW 2OQC Chain:B ((1-294)) ----------------------------------------------------------------------------------------------------------------------------------------------CTSLTLETADRKHVLARTMDFAFQL---------------GTE---VILYPRRYSWNSEADGRAHQTQYAFIGMGRKLGNILFADGINESGLSCAALYFPGY-AEY---EKTIREDTVHIVPHEFVTWVLSVCQSLEDVKEKIRSLTIVEKKLDLLDTVLPLHWILS-DRTGRNLTIEPRADGL-KVYD-----N-QPGVMTNSPDFIWHVTNLQQYTGIRPKQLEAFGQGLGTVGLPGDYTPPSRFVRAVYLKEHLEPAADETKGVTAAFQILANMTIPKGAVITEEDEIHYTQYTSVMCNETGNYYFHHY---------

General information: TITO was launched using: RESULT: Template: 2OQC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1061 17243 16.25 80.57 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.56 3D Compatibility (PKB) : 16.25 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.395

(partial model without unconserved sides chains): PDB file : Tito_2OQC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2OQC-query.scw PDB file : Tito_Scwrl_2OQC.pdb: