Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRPIYLDYAATTPVDPQVAERMMECLTFDGTFGNAASRSHAYGWQAEEKVEYAREQVANLIKADPREIVWTSGATESDNLALKGVAQFYASKGK-HIITSKIEHKAVLDPCRELEEQGFEITYLEPEPQTGLITPEMVKAALRPDTILVSLMMVNNEIGTVTDVAVIGELTRANKTFFHVDAAQAAGKVDIDLSTMKIDLMSFSAHKIYGPKGIGALYVRR-----SPRVRLKAQIHGGGHERGMRSGTLATHQIVGMGEAFELAGKTMHAE-QERIRKLRDKLWNGLQDLEQVFLNGHPTQNVANYLNVSFNFVEGESLMMSLKD-AAVSSGSACTSATLEPSYVLRALGLSDELAHSSIRFSFGKYTTEEDIDHVLTITKAAVEKLRELSPLWDMYKEGIDLSTVEWAEH 3VAX Chain:A ((23-376)) -----YLDAAATTRVDQRVADIVLHWMTAE--FGNAGSR-HEYGIRAKRGVERAREYLASTVSAEPDELIFTSGATESNNIALLGLAPYGERTGRRHIITSAIEHKAVLEPLEHLAGRGFEVDFLTPGP-SGRISVEGVMERLRPDTLLVSLMHVNNETGVIQPVAELAQQLRATPTYLHVDAAQGYGKVPGDLTT-PIDMISISGHKIGAPKGVGALVTRRREEMDDERVPLEPIMFGGGQERKLRPGTLPVPLIMGLAEAAKIF-EAEHAQWQVAAQDLRSRLLAGLAS-TSFQVNGDQDHVVPHILNLSFEDVDAEAFLVTLKDLVAVATGSASTSASFTPSHVLRAMGLPEEAASKSLRFSW-----------------------------------------------

General information: TITO was launched using: RESULT: Template: 3VAX.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 : 1812 -30239 -16.69 -87.39 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.80 3D Compatibility (PKB) : -16.69 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.80 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_3VAX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VAX-query.scw PDB file : Tito_Scwrl_3VAX.pdb: