Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDRSKENCISGPVKATAPVGGPKRVLVTQQFPCQNPLPVNSGQAQRVLCPSNSSQRVPLQAQKLVSSHKPVQNQKQKQLQATSVPHPVSRPLNNTQKSKQPLPSAPENNPEEELASKQKNEESKKRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGE---LKIADFGWSVHAPSSRRT-TLCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTF--PDF--VTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSKPSNCQNKESASKQS 4MXA Chain:A ((33-292)) ----------------------------------------------------------------------------------------------------------------------------------------RVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFEDKGYYYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFEASKKMKDKIGTAYYIAPEVLHG-TYDEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWI--------------------

General information: TITO was launched using: RESULT: Template: 4MXA.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 : 1120 -68947 -61.56 -280.27 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -61.56 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.319

(partial model without unconserved sides chains): PDB file : Tito_4MXA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4mxa-query.scw PDB file : Tito_Scwrl_4MXA.pdb: