Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAPTDSIYAYLTAAPASGFA-GLSVEILEHWRGDENLLWRVRAGSEEAVVKLFLDAGQARGRRQFDGQQLFAATGIAPEPLWFDRYPEGLARQVLVYRWVEGR-ALQPD----DADDLTALVASLAAVHGGDVATVRRISPRALNLEYFWSMLSGGLKPTQQWLEKSGYPQMAAFLRELEARGQTLVAEGLPLWHAAPPTPIHGDPRPENVVIQAGRAVLLDWELFGLGDPALEMAELLHQQRMRWPGALQEHLLAEYASLSGDAAVVARVQLYRKLLPLRDAAFLVSGAQQVSPTERMQPEYDQALPMLIETSTRALMESAEALDDRLVSDAANLRDEVEHLFTSHQNS 3DXQ Chain:B ((1-264)) --MMTDEARAKLAAIP--MLAGYTGPLER--LGGLTNLVFRA----GDLCLRIP------NRANEAVAAREAAKAGVSPEVLHVD-----PATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRFELFA-MIDDYLKVLSTKNVTLPAGY-----HD---VVREAGGVRS----ALAA--HPLPLAACHCDPLCENFLDTGERMWIVDWEYSGMNDPLWDLGDLSV--EGKFNANQDEELMRAYFGGEARPAERGRVVIYKAMCDLLWTLWGLIQLAND---------------------------------------------------------

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 : 1182 -7878 -6.66 -31.64 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.67 3D Compatibility (PKB) : -6.66 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.118

(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: