Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MEITFYPLTDAQKRIWYTEKFYPHTSISNLAGIGKLVSADAIDYVLVEQAIQEFIRRNDAMRLRLRLDENGEPVQYISEYRPVDIKHTDTTEDPNAIEFISQWSREETKKPLPLYDCDLFRFSLFTIKENEVWFYANVHHVISDGISMNILGNAIMHIYLELASGSETKEGISHSFIDHVLSEQEYAQSKRFEKDKAFWNKQFESVPELVSLKRNASAGGSLDAERFSKDVPEALHQQILSFCEANKVSVLSVFQSLLAAYLYRVSGQNDVVTGTFMGNRTNAKEKQMLGMFVSTVPLRTNIDGGQAFSEFVKDRMKDLMKTLRHQKYPYNLLINDLRETKSSLTKLFTVSLEYQVMQWQKEEDLAFLTEPIFSGSGLNDVSIHVKDRWDTGKLTIDFDYRTDLFSREEINMICERMITMLENALTHPEHTIDELTLISDAEKEKLLARAGGKSVSYRKDMTIPELFQEKAELLSDHPAVVFEDRTLSYRTLHEQSARIANVLKQKGVGPDSPVAVLIERSERMITAIMGILKAGGAYVPIDPGFPAERIQYILEDCGADFILTESKVAAPEADAELIDLDQAIEEGAEESLNADVNARNLAYIIYTSGTTGRPKGVMIEHRQVHHLVESLQQTIYQSGSQTLRMALLAPFHFDASVKQIFASLLLGQTLYIVPKKTVTNGAALTAYYRKNSIEATDGTPAHLQMLAAAGDFEGLKLKHMLIGGEGLSSVVADKLLKLFKEAGTAPRLTNVYGPTETCVDASVHPVIPENAVQSAYVPIGKALGNNRLYILDQKGRLQPEGVAGELYIAGDGVGRGYLHLPELTEEKFLQDPFVPGDRMYRTGDVVRWLPDGTIEYLGREDDQVKVRGYRIELGEIEAVIQQAPDVAKAVVLARPDEQGNLEVCAYVVQKPGSEFAPAGLREHAARQLPDYMVPAYFTEVTEIPLTPSGKVDRRKLFALEVKAVSGTAYTAPRNETEKAIAAIWQDVLNVEKAGIFDNFFETGGHSLKAMTLLTKIHKETGIEIPLQFLFEHPTITALAEEADHRESKAFAVIEPAEKQEHYPLSLAQQRTYIVSQFEDAGVGYNMPAAAILEGPLDIQKLERAFQGLIRRHESLRTSFVLENSTPRQKIHDSVDFNIEMIERGGRSDEAIMASFVRTFDLAKAPLFRIGLLGLEENRHMLLFDMHHLISDGVSIGIMLEELARIYKGEQLPDLRLQYKDYAVWQSRQAAEGYKKDQAYWKEVFAGELPVLQLLSDYPRPPVQSFEGDRVSIKLDAGVKDRLNRLAEQNGATLYMVMLSAYYTLLSKYTGQDDIIVGTPSAGRNHSDTEGIIGMFVNTLAIRSEVKQNETFTQLISRVRKRVLDAFSHQDYPFEWLVEDLNIPRDVSRHPLFDTMFSLQNATEGIPAVGDLSLSVQETNFKIAKFDLTVQARETDEGIEIDVDYSTKLFKQSTADRLLTHFARLLEDAAADPEKPISEYKLLSEEEAASQIQQFNPGRTPYPKDKTIVQLFEEQAANTPDHTALQYEGESLTYRELNERANRLARGILSLGAGEGRTAAVLCERSMDMIVSILAVLKSGSAYVPIDPEHPIQRMQHFFRDSGAKVLLTQRKLKALAEEAEFKGVIVLADEEESYHADARNLALPLDSAAMANLTYTSGTTGTPKGNIVTHANILRTVKETNYLSITEQDTILGLSNYVFDAFMFDMFGSLLNGAKLVLIPKETVLDMARLSRVIERENISILMITTALFHLLVDLNPACLSTLRKIMFGGERASVEHVRKALQTVGKGKLLHMYGPSESTVFATYHPVDELEEHTLSVPIGKPVSNTEVYILDRTGHVQPAGIAGELCVSGEGLVKGYYNRPELTEEKFVPHPFTSGERMYKTGDLARWLPNGDIEFIGRIDHQVKIRGQRIELGEIEHQLQTHDRVQESVVLAVDQGAGDKLLCAYYVGEGDISSQEMREHAAKDLPAYMVPAVFIQMDELPLTGNGKIDRRALPIPDANVSRGVSYVAPRNGTEQKVADIWAQVLQAEQVGAYDHFFDIGGHSLAGMKMLALVHQELGVELSLKDLFQSPTVEGLAQVIASAEKGTAASISPAEKQDTYPVSSPQKRMYVLQQLEDAQTSYNMPAVLRLTGELDV-ERLNSVMQQLMQRHEALRTTFEIKDGETVQRIWEEAECEIAYFEAP---EEETERIV-SEFIKPFKIDQLPLFRIGLIKHSDTEHVLLFDMHHIISDGASVGVLIEELSKLYDGET--LEPLRIQYKDYAVWQQQFIQSELYKKQEEHWLKELDGELPVLTLPTDYSRPAVQTFEGDRIAFSLEAGKADALRRLAKETDSTLYMVLLASYSAFLSKISGQDDIIVGSPVAGRSQADVSRVIGMFVNTLALRTYPKGEKTFADYLNEVKETALSAFDAQDYPLEDLIGNVQVQRDTSRNPLFDAVFSMQNANIKDLT--------------MKGIQLEPHPFERKTAKFDLTLTADE-TDGGLTFVLEYNTALFKQETIERWKQYWMELLDAVTGNPNQPLSSLSLVTETEKQALLEAWKGKALPVPTDKTVHQLFEETAQRHKDRPAVTYNGQSWTYGELNAKANRLARILMDCGISPDDRVGVLTKPSLEMSAAVLGVLKAGAAFVPIDPDYPDQRIEYILQDSGAKLLLKQEGISVPDSYTGDVILLDGSRTILSLPLDENDEENPETAVTAENLAYMIYTSGTTGQPKGVMVEHHALVNLCFWHHDAFSMTAEDRSAKYAGFGFDASIWEMFPTWTIGAELHVIEEAIRLDIVRLNDYFETNGVTITFLPTQLAEQFMELE--NTSLRVLLTGGDKLKRAVK-----KPYTLVNNYGPTENTVVATSAEIHPEEGSLSIGRAIANTRVYILGEGNQVQPEGVAGELCVAGRGLARGYLNREDETAKRFVADPFV-PGERMYRTGDLVKWTG-GGIEYIGRIDQQVKVRGYRIELSEIEVQLAQLSEVQDAAVTAVKDKGGNTAIAAYVTPESADIEALKSALKETLPDYMIPAFWVTLNELPVTANGKVDRKALPEPDIEAGSGEYKAPTTDMEELLAGIWQDVLGMSEVGVTDNFFSLGGDSIKGIQMASRLNQ-HGWKLEMKDLFQHPTIEELTQYVERAEGKQADQGPVEGEVILTPIQRWFFEKNFTNKHHWNQSVMLHAKKGFDPERVEKTLQALIEHHDALRMVYREGQEDVIQYNRGLEAASAQLEVIQIEGQAADYEDRIEREAERLQSSIDLQEGGLLKAGLFQAEDGDHLLLAIHHLVVDGVSWRILLEDFAAVYTQLEQGNEPVLPQKTHSFAEYAERLQDFANSKAFLKEKEYWRQLEEQAVAAKLPKDRESGDQRMKHTKTIEFSLTAEETEQLTTKVHEAYHTEMNDILLTAFGLAMKEWTGQDRVSVHLEGHGREEIIEDLTISRTVGWFTSMYPMVLDMKHADDLGYQLKQMKEDIRHVPNKGVGYGILRYLTAPEHKEDVAFSIQPDVSFNYLGQFDEMSDAGLFTRSELPSGQSLSPETEKPNALDVVGYIENGKLTMSLAYHSLEFHEKTVQTFSDSFKAHLLRIIEHCLSQDGTELTPSDLGDDDLTLDELDKLMEIF 4ZXH Chain:A ((11-1048)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PEVLSRHAISSEQLGIWYIQRLEPTCSAYNMVVAFDVKVNQSLGNKPIEILEAVMHDYPLLRVSMPANDQGIEQLIWDRVYPNIIFSDARHIEASDLTQLVEQDTKQPFDLTQPPLWRIHCYECGQNHYVIAFVIHHALMDFWSIGLLLRDVSKRFGLVAESDAVNGIEFVQYADKQQSSVI-DDTDESLIFWKNALKHAPHVHSIPLDYPRPAVQQHKGSSLVFRVSESVSSGLVNLAKDYEITLFGLVLSGFYVLLHKLSNENNLVIATPVAGRLERSLRNALGQFVNTIAIHMDIDADQTLRQFTQQVQEQLRQSLKHQKIAFSRVVEAVSPKRDGSINPLAQIGMFWERLGGMDEFKELLLPIQTPATLVGQDLTLGSFPVRQQEGQLDITLEMGGEYQGELVGVLKYNTDLFSAQSAENMVQLLQAVLSEMVAHPERKIVELDIAPDYKDGIQFEALRGKATD-YAQHDLFAMILKQIDERGDNHALTS--HTVSYRELGQHIAGIAEYLRAHGITQGDRVGLMLDRTALLPAAILGIWAAGAAYVPLDPNFPTERLQNIIEDAEPKVILTQTELMDGLNVSVPRLDINQAG--------VVALEQVRETLAFGDIAYVMYTS----KPKGVRIGHPSIINFLLSMNDRLQVTTETQLLAITTYAFDISILELLIPLMYGGVVHVCPREVSQDGIQLVDYLNAKSINVLQATPATWKMLLDSEWSGNAGLTALCGGEALDTILAEKLLGKVGCLWNVYGPTETTVWSSAARIT-DAKYIDLGEPLANTQLYVLDEQQRLVPPGVMGELWIGGDGLAVDYWQRPELTDAQFRTLPSLPNAGRLYRTGDKVCLRTDGRLTHHGRLDFQVKIRGFRIELGEIENVLKQIDGITDAVVLVKTTGDNDQKLVAYVTGQELDIAGLKKNLQIHLPAYMVPSAFIRLDEFPMTANKKLDRKAFPEPIFEQS-NDYVAPRDPIEIELCTTFEQILSVKRVGIHDDFFELGGHSLLAVKLVNHLKKAFGTELSVALLAQYSTVERLGEIIRENK-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZXH.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 : 5673 -531638 -93.71 -531.64 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -93.71 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.433

(partial model without unconserved sides chains): PDB file : Tito_4ZXH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZXH-query.scw PDB file : Tito_Scwrl_4ZXH.pdb: