Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGVMKRYMQFVKPYKKQIFVTVLIGIVKFSIPLALPLLLKYVVDDIIQGGGTASDKTTSLFTIMAIMFALFLILRPPVEYYRQYFAQWTASKVLYDIRAKLFDHIQKLSLRFYANTRTGEVISRVINDVEQTKDFVITGLMNIWLDMLTILIVISIMLTLDVKLTLISIVLFPLYGISVKYFYGRLRKLTRERSQALAQVQGHLHERIQGMPVIRSFAIEDHEQAQFNEKNGHFLDKAIRHTNWNAKTFAVVNTITDLAPLIVIACAGYFVINGPLTVGTMVAFVGYIDRMYNPVRRLINSSTTLTQSIASMDRVFEFIDEPYELTDKPNAIKADQIRGGVEFQNVSFQYEKDKENILHDVSLKVNRGETVALVGMSGGGKSTLVSLIPRFYDVTSGRLLIDGTDIRDYEARSLRNQVGMVLQDTFLFSETIRENIAIGKPDATLEEIIEAAKAANAHEFIMSFPEGYETRVGERGVKLSGGQKQRISIARVFLKNPPLLILDEATSALDLESEHYIQEAMDKLAKDRTTFVVAHRLSTITHADKIVVMENGTIIEIGTHDELMDYESQYKHLFTIQNLN 4Q4H Chain:B ((26-592)) ----RRLLGYLRPHTFTLIMVFVFVTVSSILGVLSPYLIGKTIDVVFVPRR-----FDLLPRYMLILGTIY-ALTSLLFWLQGKIMLTLSQDVVFRLRKELFEKLQRVPVGFFDRTPHGDIISRVINDVDNINNVLGNSIIQFFSGIVTLAGAVIMMFRVNVILSLVTLSIVPLTVLITQIVSSQTRKYFYENQRVLGQLNGIIEEDISGLTVIKLFTREEKEMEKFDRVNESLRKVGTKAQIFSGVLPPLMNMVNNLGFALISGFGGWLALKDIITVGTIATFIGYSRQFTRPLNELSNQFNMIQMALASAERIFEILDLEEEKDDPDA-VELREVRGEIEFKNVWFSYDKKK-PVLKDITFHIKPGQKVALVGPTGSGKTTIVNLLMRFYDVDRGQILVDGIDIRKIKRSSLRSSIGIVLQDTILFSTTVKENLKYGNPGATDEEIKEAAKLTHSDHFIKHLPEGYETVLTDNGEDLSQGQRQLLAITRAFLANPKILILDEATSNVDTKTEKSIQAAMWKLMEGKTSIIIAHRLNTIKNADLIIVLRDGEIVEMGKHDELIQKRGFYYELFTSQYG-

General information: TITO was launched using: RESULT: Template: 4Q4H.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2290 -317942 -138.84 -560.74 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -138.84 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.409

(partial model without unconserved sides chains): PDB file : Tito_4Q4H.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4Q4H-query.scw PDB file : Tito_Scwrl_4Q4H.pdb: