Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPAPTDSIYAYLTAAPASGFA-GLSVEILEHWRGDENLLWRVRAGSEEAVVKLFLDAGQA--RGRRQFDGQQLFAATGIAPEPLWFDRYPEGLARQVLVYRWVEGR-ALQPD----DADDLTALVASLAAVHGGDVATVRRISPRALNLEYFWSMLSGGLKPTQQWLEKSGYPQMAAFLRELEARGQTLVAEGLPLWHAAPPTPIHGDPRPENVVIQAGRAVLLDWELFGLGDPALEMAELLHQQRMRWPGALQEHLLAEYASLSGDAAVVARVQLYRKLLPLRDAAFLVSGAQQVSPTERMQPEYDQALPMLIETSTRALMESAEALDDRLVSDAANLRDEVEHLFTSHQNS 3DXQ Chain:A ((1-264)) --MMTDEARAKLAAIP--MLAGYTGPLER--LGGLTNLVFRA----GDLCLRIPGK----YINRANEAVAAREAAKAGVSPEVLHVD-----PATGVMVTRYIAGAQTMSPEKFKTRPGSPARAGEAFRKLHGSGAVFPFRFELFA-MIDDYLKVLS--NVTLPAGY-----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 A - contact count / total energy / energy per contact / energy per residue : 1169 -26714 -22.85 -107.29 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -22.85 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.116

(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: