Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFSKILVANRGEIAVRVMQTAKAMGYQTVAVYSDADRNARHVQEADEAVYIGASKVSESYLSIAKIIEACKKTGADAVHPGYGFLSENTDFAQACIDNQITFIGPTASAIELMGSKRLSKIAMIEAGVPCVPGYEGDRQDLEYLATQAEQIGFPIMVKASAGGGGRGMRLVQQASELFEALQTARSEAENAFGSGELILEKAVIAPRHVEIQVFGDTHGNYVYLFERDCSIQRRHQKVVEEAPCPVMTPELRQKMGEAAVAAAKTCAYVGAGTVEFLLDASGAFYFLEMNTRLQVEHPVTELITGLDLVEWQLRVANGEQLPLKQQELTLNGHAIEVRLYAEDPRQDFLPQTGKILRWKPAA-LPN--VRIDHGMLATDEVSPFYDPMVAKVIAYGKTREDAIRLLARAVDDSVLLGVNSNKQFLVNLLRHPVVVAGDTNTAFIQQHFK------NDPSLH-----------YQVLSLETLAIAAALFSQSKGPAVWQTGLGVPLPLKLQTADQQIQLQLSSVNNTFTVQFCEQVVCIDVLEKTP-EQLVYL-IDGVRR-----------RVQYVLDDDQLYLDRDNGNVLIRNMTYAAPEATDVAGDGKIRAPMDGAVVNILVNEGDQVVKGQTLLILEAMKIQQQIKSDVDGVVDEILGQQGQQVKKRQMLFSIQI 3N6R Chain:C ((2-671)) --FNKILIANRGEIACRVIKTARKMGISTVAIYSDADKQALHVQMADEAVHIGPPPANQSYIVIDKVMAAIRATGAQAVHPGYGFLSENSKFAEALEAEGVIFVGPPKGAIEAMGDKITSKKIAQEANVSTVPG---------------------------------------------------------------------VTQPRHIEIQVLCDSHGNGIYLGERECSIQRRNQKVVEEAPSPFLDEATRRAMGEQAVALAKAVGYASAGTVEFIVDGQKNFYFLEMNTRLQVEHPVTELITGVDLVEQMIRVAAGEPLSITQGDVKLTGWAIENRLYAEDPYRGFLPSIGRLTRYRPPAE---AAVRNDTGVYEGGEISMYYDPMIAKLCTWAPTRAAAIEAMRIALDSFEVEGIGHNLPFLSAVMDHPKFISGDMTTAFIAEEYPEGFEGVNLPETDLRRVAAAAAAMHRVAEIRRTRVSGRMDNHER-------RVGTEWVVTLQGAD--FPVTIAADHDGSTVSFDDGSSMRVTSDWTPGDQLANLMVDGAPLVLKVGKISGGFRIRTRGADLKVHVRTPRQAELARLMPEKLPPDT----SKMLLCPMPGLIVKVDVEVGQEVQEGQALCTIEAMKMENILRAEKKGVVAKINASAGNSL-----------

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 C - contact count / total energy / energy per contact / energy per residue : 3072 -178028 -57.95 -324.87 target 2D structure prediction score : 0.51 Monomeric hydrophicity matching model chain C : 0.76 3D Compatibility (PKB) : -57.95 2D Compatibility (Sec. Struct. Predict.) : 0.51 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.430

(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: