Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTNRDIVWHEASITKEEYQQKNKHKSSILWLTGLSGSGKSTIANAAARELFEQGYQVIVLDGDNIRHGLNRDLGFSDEDRKENIRRIGEVAKLFVQQGTIVITAFISPFREDRQQVRELVEAGE--FNEVYIKCDLDICEQRDPKGLYKKARNGEIPFFTGIDSPYEEPEAPELVLDSGQHDREACKNQLIEFVKQKLS 2PEY Chain:B ((4-176)) ------------------------RGCTVWLTGLSGAGKTTVSMALEEYLVCHGIPCYTLDGDNIRQGLNKNLGFSPEDREENVRRIAEVAKLFADAGLVCITSFISPYTQDRNNARQIHEGASLPFFEVFVDAPLHVCEQRDV--------------------EYEKPEAPELVLKTDSCDVNDCVQQVVELLQER--

General information: TITO was launched using: RESULT: Template: 2PEY.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 : 707 -86297 -122.06 -571.50 target 2D structure prediction score : 0.77 Monomeric hydrophicity matching model chain B : 0.81 3D Compatibility (PKB) : -122.06 2D Compatibility (Sec. Struct. Predict.) : 0.77 1D Compatibility (Hydrophobicity) : 0.81 QMean score : 0.674

(partial model without unconserved sides chains): PDB file : Tito_2PEY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2PEY-query.scw PDB file : Tito_Scwrl_2PEY.pdb: