Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRPIYLDYAATTPVDPQVAERMMECLTFDGTFGNAASRSHAYGWQAEEKVEYAREQVANLIKADPREIVWTSGATESDNLAL---------------KGVAQFYASKG--KHIITSKIEHKAVLDPCREL-EEQGFEITYLEPEPQTGLITPEMVKAALRPDTILVSLMMVNNEIGTVTDVAVIGELTRA----------NKTFFHVDAAQAAGKVDIDLSTMKIDLMSFSAHKIYGPKGIGALYVRRSPRVR-LKAQIHGGGHERGMRSGTLATHQIVGMGEAFELAGKTMHAEQERIRKLRDKLWNGLQDL--EQVFLNGH--PTQNVANYLNVSF--NFVEGESLMMSLKDAAVSSGSACTSATLEPSYVLRALGLSDELAHSSIRFSFGKYTTEEDIDHVLTITKAAVEKLRELSPLWDMYKEGIDLSTVEWAEH 3A9X Chain:A ((17-428)) -NRKVYMDYNATTPLEPEVIQAVTEAM--KEAWGNPSS-SYVAGRKAKDIINTARASLAKMIGGKPQDIIFTSGGTESNNLVIHSTVRCFHEQQTLQG---------EGTRPHFITCTVEHDSIRLPLEHLVEDQVAEVTFVPVSKVNGQVEVEDILAAVRPTTCLVTIMLANNETGVIMPISEISRRIKALNQIRAASGLPRVLVHTDAAQALGKRRVDVEDLGVDFLTIVGHKFYGPR-IGALYVRGVGKLTPLYPMLFGGGQERNFRPGTENTPMIAGLGKAADLVSENCETYEAHMRDIRDYLEERLEAEFGKRIHLNSRFPGVERLPNTCNFSIQGSQLRGYMVLAQCQTLLASVGA------------------PVDVARNAVRLSVGRSTTRAEVDLIVQDLKQAVNQL------------------------

General information: TITO was launched using: RESULT: Template: 3A9X.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 : 1857 18406 9.91 52.74 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : 9.91 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.518

(partial model without unconserved sides chains): PDB file : Tito_3A9X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3A9X-query.scw PDB file : Tito_Scwrl_3A9X.pdb: