Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMRIGLFLLTNLAVLVVAGIILSLFGVGSYHGAGGLNLGNLLVICFVFGMVGSLVSLFMSKWMAKKTTGTELIDPNAPRNQAESWLLQTVAELSQRAGINMPEVGIFPSYQSNAFATGWNKNDALVAVSSGLLERMNKDELRAVLAHEIGHVANGDMVTLALIQGVVNAFVMFFARVVGDFIDRNVFGRQDNEAPGMGYFIITMVLDIVFGILASAIVMWFSRYREYRADEAGARLAGKQAMISALLRLQAETELPDQMPKEMKAFAIAEGKEQGFSLAALFQTHPTIEQRVAALHQLDCP 3CQB Chain:A ((27-105)) ------------------------------------------------------------------------------------WLLETVGRQAQQAGIGMPTVAIYDSADINAFATGAK--DSLVAVSTGLLHNMTRDEAEAVLAHEVSHIANGDMVTMTLM------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3CQB.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 : 339 -51515 -151.96 -669.02 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -151.96 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.656

(partial model without unconserved sides chains): PDB file : Tito_3CQB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3CQB-query.scw PDB file : Tito_Scwrl_3CQB.pdb: