Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSLLLKVRQNVPQVQSIKTSLKKRAGQKIPHMLSNASDLFFRGSEIALSGKTPFDVIYKHEIISLRHYRIETEASAHKHRVPLVIVPPLAVNMLIYDLFPTRSLIRYFLDQGFEVYLIDW---GVPTRNQAKYNFGTYVKVFMPEMLKQVRIHSGQQQLSLHGWSLGGALSLCYTALFKDKDIKNLMI--LASPIDTHKAGYMGKLYGSLTKPAQWVRKHTPFRIRQHVPSEVFHIHGWQNTLGFKLTAPIGNLKTYWQLLKNLDNREFIVDHATSSSFIDNMLAYPGGVMRDIILRFWIDNELSTGVIKFGELTAYLKDIDCSVLAVGGDTDIIVTADAVKPLMDLISSQDKTFKTVPSGHMGVVSGSQAPTSVWPEMSNWLAMRSD 5H3H Chain:A ((44-133)) -----------------------------------------------------------------------------------------------------------LLEEGYRYIGVDYRGYGKSDAPATGYDYTTMASD-INEVIQQLKL----TNVTLLGFSMGGGIALKYLLNHGESNVSKLILAGAAAPVFTQRDGY------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5H3H.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 : 287 -29819 -103.90 -350.81 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.55 3D Compatibility (PKB) : -103.90 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.515

(partial model without unconserved sides chains): PDB file : Tito_5H3H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5H3H-query.scw PDB file : Tito_Scwrl_5H3H.pdb: