Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSLPFPLIEDIGELYMLDDIYDFLGEGTFASVFKAVSTTNRDVVQENQTVALKMIAKRNLSSDKLVRDVINEVHVLRQTAHPNCVRFIECVQTPVYVVIVTEYIEGVELF-QALKDQKFTEAMVLNVMRQLLSALAYLHNTLHIVHRDVKPENVIISTHEAPFRVVLVDFGLARSCERKRPRISRELATHFQRQRPIPVRNMSVESLDCDSPMLATPCGTLKYAAPETVQSITQSAQLSTTKNLLSRLDVYAAGIIMYVMLSGALPFKNFANKASLVMEM-RNSLSFEGPRWAGISAEAIDLNKALLNFDAVSRPHAAEALQYPWFKIYGSALRPLSTEEAQSTPGIPLDSSICERGAMTHAFEAMRATEAALYYNEEETASTSAPVTSHSGLRTPNSRCVSVPFGTNTSAFSNSSSTTTAAQTAQSGYFDFA 3KU2 Chain:A ((57-318)) ------------------------LGKGSFGEVILC-----KDKIT-GQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFEDKGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKN-KIVHRDLKPENLLLESKSKDANIRIIDFGLS---------------THFEA-----------------SKKMKDKIGTAYYIAPEVLHGTYDE-----------KCDVWSTGVILYILLSGCPPF-NGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQTY--------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3KU2.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 : 1201 -68725 -57.22 -271.64 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : -57.22 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.460

(partial model without unconserved sides chains): PDB file : Tito_3KU2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3KU2-query.scw PDB file : Tito_Scwrl_3KU2.pdb: