Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDRSKENCISGPVKATAPVGGPKRVLVTQQFPCQNPLPVNSGQAQRVLCPSNSSQRVPLQAQKLVSSHKPVQNQKQKQLQATSVPHPVSRPLNNTQKSKQPLPSAPENNPEEELASKQKNEESKKRQWALEDFEIGRPLGKGKFGNVYLAREKQSKFILALKVLFKAQLEKAGVEHQLRREVEIQSHLRHPNILRLYGYFHDATRVYLILEYAPLGTVYRELQKLSKFDEQRTATYITELANALSYCHSKRVIHRDIKPENLLLGSA---GELKIADFGWSVHAPSSRRT-TLCGTLDYLPPEMIEGRMHDEKVDLWSLGVLCYEFLVGKPPFEANTYQETYKRISRVEFTF--PDF--VTEGARDLISRLLKHNPSQRPMLREVLEHPWI-TANSSKPSNCQNKESASKQS 4YSJ Chain:A ((36-303)) ----------------------------------------------------------------------------------------------------------------------------------------RVLGKGSFGEVILCKDKVTGQEYAVKVISKR----------LLKEVELLKKLDHPNIMKLYEFFEDKGYFYLVTEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLENKRKDANIRIIDFGLSTHFESTKKMKDKIGTAYYIAPEVLHG-TYDEKCDVWSTGVILYILLSGCPPFNGANEFDILKKVEKGKFTFDLPQWKKVSEPAKDLIRKMLAYVPTMRISARDALEHEWLKTTDAATDS------------

General information: TITO was launched using: RESULT: Template: 4YSJ.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 : 1236 -89266 -72.22 -365.84 target 2D structure prediction score : 0.71 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -72.22 2D Compatibility (Sec. Struct. Predict.) : 0.71 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.314

(partial model without unconserved sides chains): PDB file : Tito_4YSJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ysj-query.scw PDB file : Tito_Scwrl_4YSJ.pdb: