Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTDSAIQIIHQNIHQ-RQSIGQL-VEPAPNTDQLELAFQAALTAPDHHRLKPTRFVIVSGDQRAAFGEVLAKALVDLGESD------PAQ-LER---VKQHPFRAPLLILALTQLQDHPKVP--------HFEQILSTGAAVQNLLLSLQAQGFSTMWRSGAVVESNWLKQHLGLQPHDLISGIIYVGTAAKAIAPRADIDSKEFVKVWQA 4XOO Chain:A ((12-188)) ---------RQQAQLLRRSVRRFSTDPVPG-DLVEAAVAEALTAPAPHHTRPTRFVWL---QTPAIRARLLDRMKDKWRSDLTSDGLPADAIERRVARGQILYDAPEVVIPMLVPDGAHSYPDAARTDAEHTMFTVAVGAAVQALLVALAVRGLGSCWIGSTIFAADLVRDELDLPVDWEPLGAIAIGYA---------------------

General information: TITO was launched using: RESULT: Template: 4XOO.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 : 508 3315 6.53 21.11 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.72 3D Compatibility (PKB) : 6.53 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_4XOO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XOO-query.scw PDB file : Tito_Scwrl_4XOO.pdb: