Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNRDIVWHEASITKEEYQQKNKHKSSILWLTGLSGSGKSTIANAAARELFEQGYQVIVLDGDNIRHGLNRDLGFSDEDRKENIRRIGEVAKLFVQQGTIVITAFISPFREDRQQVRELVEAGEFNEVYIKCDLDICEQRDPKGLYKKARNGEIPFFTGIDSPYEEPEAPELVLDSGQHDREACKNQLIEFVKQKLS 5CB8 Chain:A ((23-192)) -----------------------QRGVTIWLTGLSGAGKTTITHALEKKLRDSGYRLEVLDGDVVRTNLTKGLGFSKEDRDTNIRRIGFVSHLLTRNGVIVLVSAISPYAAIRQEVKHTI--GDFLEVFVNAPLAVCEERDVKGLYAKARSGEIKGFTGIDDPYEPPTNPDVECRTDLEELDESVGKIWQKLVDL--

General information: TITO was launched using: RESULT: Template: 5CB8.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 : 866 -74670 -86.22 -439.23 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -86.22 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.646

(partial model without unconserved sides chains): PDB file : Tito_5CB8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CB8-query.scw PDB file : Tito_Scwrl_5CB8.pdb: