Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADSARYTFNMAGIIMHPGEKRVLLRAVQGGWMLPQVEWQADEYSSWKEVARFNREMQGLLDVCLSTVRCLGEDFERATMHFSRIYVMELHSSYDNLPADACWIDIEDLKEFMITPEEHLVWLEEWLAKRDEEERTPWYHPDWLAKAKVWIEQALAEPEAQPLVSIEQVGVAERGCLLRVQTKE-NAFYFKALPA-----FFRHELTLLQHLARYRVGCVPALVAVDER-------EHRLLMHDFGSKHLDQS----LDLADWQEALRRYAILQIDHIQIDHIQIDHSAQVEQLEELGCPRLPLATLPDQLERLLTSEQSLLFDTPTALSLEQVRRLHDALPLIRSLCQELAGYGLPETLEHGDLHAQNIALSG-G-DYLYFDWTDSCIAHPFFSLYPFLLDIEARWPEARIRLREAYLQPWERYAARAQLVEAFELAQRLAPLHLAMLYATLIIPHMKARWEMQHGVPLNLKVLLDRLHDAG 5IGI Chain:A ((11-255)) -----------------------------------------------------------------------------------------------------------------------------------------------------QLYALAARHGLKLHGPLTVNELGLDYRIVIATVDDGRRWVLRIPRRAEVSAKVEPEARVLAMLKNRLPFAVPDWRVANAELVAYPMLEDSTA-VIQPGSSTPDWVVPQDSEVFAESFATALAALH----------AVPISAAVD---AGMLIRTPTQARQKVADDVDRVRR-------EFV-----VNDKRLHRWQRWLDDDSSWPDFSVVVHGDLYVGHVLIDNTERVSGMIDWSEARVDDPAIDMAAHLMVFG-------EEGLAKLLLTYEAAG---------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5IGI.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 : 930 -29045 -31.23 -129.09 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -31.23 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.217

(partial model without unconserved sides chains): PDB file : Tito_5IGI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5igi-query.scw PDB file : Tito_Scwrl_5IGI.pdb: