Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTHNPNIIWHPAAISKSDRQSLNGHKSCVLWFTGLSGSGKSVLANAVDEKLYRKGIQSYVLDGDNIRHGLNKDLGFQTGDRIENIRRIGEVAKLFVDSGQMILTAFISPFREDRDMVRALFPKGEFFEIYVKCPLHVCEQRDPKGLYKKARNGEIKHFTGIDSPYEAPLSPDFIIESDQTSISDGADLIINALQNRGII 5CB8 Chain:B ((22-189)) -----------------------QQRGVTIWLTGLSGAGKTTITHALEKKLRDSGYRLEVLDGDVVRTNLTKGLGFSKEDRDTNIRRIGFVSHLLTRNGVIVLVSAISPYAAIRQEVKHTI--GDFLEVFVNAPLAVCEERDVKGLYAKARSGEIKGFTGIDDPYEPPTNPDVECRTDLEELDESVGKIWQKL------

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 B - contact count / total energy / energy per contact / energy per residue : 863 -86873 -100.66 -517.10 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain B : 0.79 3D Compatibility (PKB) : -100.66 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.632

(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: