Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKEAAKTPREDGGVARKGDGKAPKKLIGGHIELGHVLGVGGFGKVYNAYDVTKKVHVAVKMIDKALVRSSGIQSYVEREIEMMRKMKNQHVVRLLEAIETSKAYNLVMELAPNGELFDKIVDSKRFDEETARNYFQQLICAVHYCHRMNIVHRDLKAENLLLG---ENNVLKVCDFGLSRYTKEGRFNDHEVLFTSLAGSIDYQAPEVLKERGYEGDSCDMWSCGCVLFFMLCGYLPFTDRSDGLTRKRIMSCQYNKT---SRYLPEQAADLIAHLLVPFPSARYTTSDVIQHPWFRVNLDPSMFPDDNVVPTP----MSPLGNGEFIQRVITPQMSSGSFGAAPSPTTSKADEMHQAFQSCNITGDGFLNKEEVRDALIKLNGG------NQVTEQEVKDFMSNFQVDQEGRITEEEFVMGWTKHQNDLGSKYDLSKMAHLFHYDLEKEFLQVVREAFDLIDSEHSGIITKEKLKSLN--LGLTDKDAESAFSSMDTEHRGLSSLTFEGFVGLCLKYDFFKNHPLAIRLRRLNAFFEATEHTAFRASLNTGYTVAGQREVIKALLLSKQESLSTTFEEGDGNGFLYGTYTQDSKKVLEIGVRLLPAAAGYTKVIVYRIGGKTIEFHKWFLDLRRLMKDELLRCEEDTAVKGEPELM 3NYV Chain:A ((19-481)) ----------------------HSTAIFSDRYKGQRVLGKGSFGEVILCKDKITGQECAVKVISKRQVKQKTDKESLLREVQLLKQLDHPNIMKLYEFFEDKGYFYLVGEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLESKSKDANIRIIDFGLSTHFEASK------KMKDKIGTAYYIAPEVLHG--TYDEKCDVWSTGVILYILLSGCPPFNGANEYDILKKVEKGKYTFELPQWKKVSESAKDLIRKMLTYVPSMRISARDALDHEWIQTYTK-----DVPSLDNAILNIRQFQGTQKLAQAALLYM-------GSKLTSQDETKELTAIFHKMDKNGDGQLDRAELIEGYKELMR-DASMLDASAVEHEVDQVLDAVDFDKNGYIEYSEFVTVAMDRKTLL--------------------SRERLERAFRMFDSDNSGKISSTELATIFGVSDVDSETWKSVLSEVDKNN--DGEVDFDEFQQMLLKL-------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NYV.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 : 2017 -57469 -28.49 -131.81 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -28.49 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.477

(partial model without unconserved sides chains): PDB file : Tito_3NYV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NYV-query.scw PDB file : Tito_Scwrl_3NYV.pdb: