Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDRSKENCISGPVKATAPVGGPKRVLVTQQFPCQNPLPVNSGQAQRVLCPSNSSQRVPLQAQKLVSSHKPVQNQKQKQLQATSVPHPVSRPLNNTQKSKQPLPSAPENNPEEELASKQKNEESKKRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSAGE---LKIADFGWSVHAPSSRRT-TLCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTF--PDF--VTEGARDLISRLLKHNPSQRPMLREVLEHPWITANSSKPSNCQNKESASKQS 3HX4 Chain:A ((56-309)) ----------------------------------------------------------------------------------------------------------------------------------------RVLGKGSFGEVILCKDKITGQECAVKVISK-------DKESLLREVQLLKQLDHPNIMKLYEFFEDKGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFEASKKMKDKIGTAYYIAPEVLHG-TYDEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWI--------------------

General information: TITO was launched using: RESULT: Template: 3HX4.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 : 1106 -88543 -80.06 -370.47 target 2D structure prediction score : 0.72 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : -80.06 2D Compatibility (Sec. Struct. Predict.) : 0.72 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.326

(partial model without unconserved sides chains): PDB file : Tito_3HX4.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3hx4-query.scw PDB file : Tito_Scwrl_3HX4.pdb: