Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTHNPNIIWHPAAISKSDRQSLNGHKSCVLWFTGLSGSGKSVLANAVDEKLYRKGIQSYVLDGDNIRHGLNKDLGFQTGDRIENIRRIGEVAKLFVDSGQMILTAFISPFREDRDMVRALFPKGEFFEIYVKCPLHVCEQRDPKGLYKKARNGEIKHFTGIDSPYEAPLSPDFIIESDQTSISDGADLIINALQNRGII 5CB6 Chain:E ((24-189)) -------------------------RGVTIWLTGLSGAGKTTITHALEKKLRDSGYRLEVLDGDVVRTNLTKGLGFSKEDRDTNIRRIGFVSHLLTRNGVIVLVSAISPYAAIRQEVKHTI--GDFLEVFVNAPLAVCEERDVKGLYAKARSGEIKGFTGIDDPYEPPTNPDVECRTDLEELDESVGKIWQKL------

General information: TITO was launched using: RESULT: Template: 5CB6.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 845 -85907 -101.66 -517.51 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain E : 0.79 3D Compatibility (PKB) : -101.66 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.652

(partial model without unconserved sides chains): PDB file : Tito_5CB6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5CB6-query.scw PDB file : Tito_Scwrl_5CB6.pdb: