Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQSQKPWLAEYPNDIPHELPLPNKTLQSILTDSAARFPDKTAISFYGKKLTFHDILTDALKLAAFLQCNGLQKGDRVAVMLPNCPQTVISYYGVLFAGGIVVQTNPLYTEHELEYQLRDAQVSVIITLDLLFPKAIKMKTLSIVDQILITSVKDYLPFPKNILYPLTQKQKVHID--FDKTANIHTFASCMKQEKTELLTIPKIDPEHDIAVLQYTGGTTGAPKGVMLTHQNILANTEMCAAWMYDVKEGAEKVLGIVPFFHVYGLTAVMNYSIKLGFEMILLPKFDPLETLKIIDKHKPTLFPGAPTIYIGLLHHPELQHYDLSSIKSCLSGSAALPVEVKQKFEKVTGGKLVEGYGLSE-ASPVTHANFIWGKNKPGSIGCPWPSTDAAIYSEETGELAAPYEHGEIIVKGPQVMKGYWNKPEETAAVLRDGWLFTGDMGYMDEEGFFYIADRKKDIIIAGGYNIYPREVEEALYEHEAIQEIVVAGVPDSYRGETVKAFVVLKKGAKADTEELDAFARSRLAPYKVPKAYEFRKELPKTAVGKILRRRLLEEETENHHIK 5BUR Chain:A ((11-479)) -----------------------------LMQRAQLTPERIALIYEDQTVTFAELFAASKRMAEQLAAHSVRKGDTAAILLQNRAEMVYAVHACFLLGVKAVLLNTKLSTHERLFQLEDSGSGFLLT-DSSFEK------------------KEY----EHIV------QTIDVDELMKEAAEEIEIEAYMQMDAT--------------ATLMYTSGTTGKPKGVQQTFGNHYFSA-VSSALNLGITE-QDRWLIALPLFHISGLSALFK-SVIYGMTVVLHQRFSVSDVLHSINRHEVTMISAVQTMLASLL---EETNRCPESIRCILLGGGPAPLPLLEECRE-KGFPVFQSYGMTETCSQIVTLSPEFSMEKLGSAGKPLFSCEIKI--ERDGQVCEPYEHGEIMVKGPNVMKSYFNRESANEASFQNGWLKTGDLGYLDNEGFLYVLDRRSDLIISGGENIYPAEVESVLLSHPAVAEAGVSGAEDK--GKVPHAYLVLHKPVSAG--ELTDYCKERLAKYKIPAKFFVLDRLPRNASNKLLRNQL-----------

General information: TITO was launched using: RESULT: Template: 5BUR.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 : 2594 -90948 -35.06 -196.01 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -35.06 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.484

(partial model without unconserved sides chains): PDB file : Tito_5BUR.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BUR-query.scw PDB file : Tito_Scwrl_5BUR.pdb: