Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEQKEKHFSLSWFFKWFLDNKAI--TVFLVTLLLGLNLFILSKISFLFSPVLDFLAVVMLPVILSGLLYYLLNPIVDWMEKHKVNRVIAITIVFVIIALFIIWGLAVAIPNLQRQVLTFARNVPVYLEDIDRIVNGLVAQHLPDDFRPQLEQVLTNFSSQATVLASKVSSQAVNWVSAFISGASQVIVALIIVPFMLFYLLRDGKGLRNYLTQFIPRKLKEPVGQVLSDVNQQLSNYVRGQVTVAIIVAVMFIIFFKIIGLRYAVTLGVTAGILNLVPYLGSFLAMLPALVLGLIAGPVMLLKVVIVFIVEQTIEGRFVSPLILGSQLNIHPINVLFVLLTSGSMFGIWGVLLGIPVYASAKVVISAIFEWYKVVSGLYELEGEEVKSEQ 3WZM Chain:A ((15-278)) -MRTRSTISTPNGITWYYEQEGTGPDVVLVPDGLGECQMFDSSVSQIAAQGFRVTTFDMPGMSRSAKAPPETYTEVT---AQKLASYVISVLDALDIKHATVWGCASGASTVVALLLGYP----------DRIRNAMCHE-LPT-------KLLDHLSNTAVLEDEEISKILANVMLNDVSGG--------------------------------SEAWQAMGDEVHARLHKNYPVWARG----------------------YPRTIPPSAPVKDLEALRGKP--------------------------LDWTVGAATPTESFFDNIVTATKAGVNIGLL-PGMHF---------PYVSHPDVFAKYVVETTQKHL--------------

General information: TITO was launched using: RESULT: Template: 3WZM.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 : 1573 -75698 -48.12 -288.92 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -48.12 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.161

(partial model without unconserved sides chains): PDB file : Tito_3WZM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3WZM-query.scw PDB file : Tito_Scwrl_3WZM.pdb: