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

General information: TITO was launched using: RESULT: Template: 5BUS.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 : 2634 -92002 -34.93 -198.28 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -34.93 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_5BUS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5BUS-query.scw PDB file : Tito_Scwrl_5BUS.pdb: