Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------MNKPLSSRFLFKSFGMVAVCMSLAACG----------DKAWWSNNDEPELESQQIKRLIPSRVHDRESWAKDIDDIMKDLDIPKTKQNVCSIVAVVDQESNFVA----NPQVPGLGQKAVEEV-STRLNEKFEDKLGKTIGGTI-------AGYFEEVLRTQPSPDNNYMSQMRKVKTEKDLDLLYREIF---DFMAKHYHVSA---------------LTGAAKLVGQDIGEKMNPITTLGSMQVHINYAKANKRSSMNTAALRDDLYTEYGGLYYGIHRLMVYPADYDKAIYRFADYNSGMYSSRNAAFQKMLKELTDKDISLDGDL--LLYTKDGDPRATQSESEKELITVFASNNVLVTPRQIRDDLKLE---KEKKFESTQTYIAL----TKLYKSKTGKEPLYAIMPQVVISGPKLSRDYNTNWYATRVNGRYETCMQRAKRIRL------------------------------------------------------------------------------------------------------- 3N6R Chain:A ((2-681)) FNKILIANRGEIACRVIKTARKMGISTVAIYSDADKQALHVQMADEAVHIGPPPANQSYIVIDKVMAAIRATGAQAVHPGYGFLSENSKFAEALEAEGVIFVGPPKGAIEAMGDKITSKKIAQEANVSTVPGVTQPRHIEIQVLCDSHGNGIYLGERECSIQRRNQKVVEEAPSPFLDEATRRAMGEQAVALAKAVGYASAGTVEFIV---DGQKNFYFLEMN---TRLQVEHPVTELITGVDLVEQMIRVAAGEPLSITQGDVKLTGWAIENRLYAEDPYRGFLP--SIGRLTRYRPPAEAAVRNDTGVYE-GGEISMYYDPM---IAKLCTWAPTRAAAIEAMRIALDSFEVEGIGHNLPFLSAVMDHPKFISGDMTTAFIAEEYPEGFEGVNLPETDLRRVAAAAAAMHRVAEIRRTRVSGRMDNHERRVGTEWVVTLQGADFPVTIAADHDGSTVSFDDGSSMRVTSDWTPGDQLANLMVDGAPLVLKVGKISGGFRIRTRGADLKVHVRTPRQAELARLMPEKLPPDTSKMLLCPMPGLIVKVDVEVGQEVQEGQALCTIEAMKMENILRAEKKGVVAKINASAGNSLAVDDVIMEFE

General information: TITO was launched using: RESULT: Template: 3N6R.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 : 2328 67426 28.96 172.89 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 28.96 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.214

(partial model without unconserved sides chains): PDB file : Tito_3N6R.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N6R-query.scw PDB file : Tito_Scwrl_3N6R.pdb: