Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDRSKENCISGPVKATAPVGGPKRVLVTQQFPCQNPLPVNSGQAQRVLCPSNSSQRVPLQAQKLVSSHKPVQNQKQKQLQATSVPHPVSRPLNNTQKSKQPLPSAPENNPEEELASKQKNEESKKRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGE---LKIADFGWSVHAPSSRRT-TLCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTF--PDF--VTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSKPSNCQNKESASKQS 5W9R Chain:A ((32-304)) ----------------------------------------------------------------------------------------------------------------------------------------RVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFEDKGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFEASKKMKDKIGTAYYIAPEVLHG-TYDEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWI--------------------

General information: TITO was launched using: RESULT: Template: 5W9R.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 : 1108 -72599 -65.52 -295.12 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -65.52 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.306

(partial model without unconserved sides chains): PDB file : Tito_5W9R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5w9r-query.scw PDB file : Tito_Scwrl_5W9R.pdb: