Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKEAAKTPREDGGVARKGDGKAPKKLIGGHIELGHVLGVGGFGKVYNAYDVTKKVHVAVKMIDKALVRSSGIQSYVEREIEMMRKMKNQHVVRLLEAIETSKAYNLVMELAPNGELFDKIVDSKRFDEETARNYFQQLICAVHYCHRMNIVHRDLKAENLLLGENN---VLKVCDFGLSRYTKEGRFNDHEVLFTSLAGSIDYQAPEVLKERGYEGDSCDMWSCGCVLFFMLCGYLPFTDRSDGLTRKRIMSCQYNKTS---RYLPEQAADLIAHLLVPFPSARYTTSDVIQHPWFRVNLDPSMFPDDNVVPT-----PMSPLGN-GEFIQRVITPQMSSGSFGAAPSPTTSKADEMHQAFQSCNITGDGFLNKEEVRDALIKLNGG-----NQVTEQEVKDFMSNFQVDQEGRITEEEFVMGWTKHQNDLGSKYDLSKMAHLFHYDLEKEFLQVVREAFDLIDSEHSGIITKEKLKSLN-LGLTDKDAESAFSSMDTEHRGLSSLTFEGFVGLCLKYDFFKNHPLAIRLRRLNAFFEATEHTAFRASLNTGYTVAGQREVIKALLLSKQESLSTTFEEGDGNGFLYGTYTQDSKKVLEIGVRLLPAAAGYTKVIVYRIGGKTIEFHKWFLDLRRLMKDELLRCEEDTAVKGEPELM 3LIJ Chain:A ((31-489)) -----------------------KKGHLSEMYQRVKKLGS---GEVLLCRDKVTHVERAIKIIRK-----SS-NSKLLEEVAVLKLLDHPNIMKLYDFFEDKRNYYLVMECYKGGELFDEIIHRMKFNEVDAAVIIKQVLSGVTYLHKHNIVHRDLKPENLLLESKEKDALIKIVDFGLSAVFENQ------KKMKERLGTAYYIAPEVLRK--KYDEKCDVWSIGVILFILLAGYPPFGGQTDQEILRKVEKGKYTFDSPEWKNVSEGAKDLIKQMLQFDSQRRISAQQALEHPWIKEMCSKKES----LPSLANAIENMRKFQNSQKLAQAALLY-------MASKLTSQEETKELTDIFRHIDKNGDGQLDRQELIDGYSKLSGEEVAVF-PQIESEVDAILGAADFDRNGYIDYSEFVTVAMDRKSLL--------------------SKDKLESAFQKFDQDGNGKISVDELASVFLDHLESKTWKEMISGIDSNN--DGDVDFEEFCKMIQKL-------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3LIJ.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 : 2061 -26102 -12.66 -61.13 target 2D structure prediction score : 0.66 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -12.66 2D Compatibility (Sec. Struct. Predict.) : 0.66 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.392

(partial model without unconserved sides chains): PDB file : Tito_3LIJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3LIJ-query.scw PDB file : Tito_Scwrl_3LIJ.pdb: