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:K ((2-671)) --FNKILIANRGEIACRVIKTARKMGISTVAIYSDADKQALHVQMADEAVHIGPPPANQSYIVIDKVMAAIRATGAQAVHPGYGFLSENSKFAEALEAEGVIFVGPPKGAIEAMGDKITSKKIAQEANVSTVPGYMGLIEDADEAVKISNQIGYPVMIKASA------MRIAWNDQEAREGFQSSKN--------DRIFIEKFVTQPRHIEIQVLCDSHGNGIYLGERECSIQRRNQKVVEEAPSPFLDEATRRAMGEQAVALAKAVGYASAGTVEFIVDGQKNFYFLEMNTRLQVEHPVTELITGVDLVEQMIRVAAGEPLSITQGDVKLTGWAIENRLYAEDPYRGFLPSIGRLTRYRPPAE---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 K - contact count / total energy / energy per contact / energy per residue : 3332 -204450 -61.36 -339.05 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain K : 0.78 3D Compatibility (PKB) : -61.36 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.440

(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: