Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADSARYTFNMAGIIMHPGEKRVLLRAVQGGWMLPQVEWQADEYSSWKEVARFNREMQGLLDVCLSTVRCLGEDFERATMHFSRIYVMELHSSYDNLPADACWIDIEDLKEFMITPEEHLVWLEEWLAKRDEEERTPWYHPDWLAKAKVWIEQALAEPEAQPLVSIEQVGVAERGCLLRVQTKENAFYFKALPAFFRHELTLLQHLARYRVGCVPALVAVDEREHRLLMHDFGSK-HLDQSL---DLADWQEALRRYAILQIDHIQIDHIQIDHSAQVEQLEELGCPRLPLATLPDQLERLLTSEQSLLFDTPTALSLEQVRRLHDALPLIRSLCQELAGYGLPETLEHGDLHAQNIALSGGDYLYFDWTDSCIAHPFFSLYPFLLDIEARWPEARIRLREAYLQPWERYAARAQLVEAFELAQRLAPLHLAMLYATLIIPHMKARWEMQHGVPLNLKVLLDRLHDAG 3DXQ Chain:B ((26-288)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------LGGLTNLVFRA----GDLCLRIP--NRANEAVAAREAAKAG-VS-PEVLHVDPATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLH----------GSGAVFPF---RFE--------LFAMIDDYLKVLSTK----NVTL-PAGYHDV---VREAGGVRSALAAHPLPLAACHCDPLCENFLDTGERMWIVDWEYSGMNDPLWDLGDLSVEGKFN-----ANQDEELMRAYFGGEARPAERGRVVIYKAMCDLLWTLWGLIQLAND-NPVDDFRAYADGRFARCKALMETP-

General information: TITO was launched using: RESULT: Template: 3DXQ.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 : 1213 -72702 -59.94 -289.65 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.60 3D Compatibility (PKB) : -59.94 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.295

(partial model without unconserved sides chains): PDB file : Tito_3DXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3dxq-query.scw PDB file : Tito_Scwrl_3DXQ.pdb: