Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEHTYSLTHAQRRVWFTELLEPDTSICNLTACVKFKGNIELDTLEGALNHSISRNDAIRFQLLEGEELEPRLHLTEYKYYPLRIIDFSNVEMIEIEQWIQDQASIPFKLFNSPLFQFYLLRIDSHEVWLFAKFHHIIMDGISLNVMGNQIIDLYQKMKKKDPLPDQPEPSYLSYIEKESQYLQSPRFAKDRLFWTQTFEHPLEYHSLADQTSLQKQSTSASRDTIILSPDLEQTIRIFCEEHKINIISLFMASFYICISRITSKKDLAIGTYYGNRGSKAEKEMLGMFVSSLPIRITVDPDTDFLSFVRTIGREQLSVMRHQRFPYNLLVNELRNEQKDLHNLIGISMQYQPLQWHNADDFDYETALYFSGYTANELSVQIQERIDNGTIQLNFDYQNTLFSLEDIKRIQSHLLTILENALKHPHSFIRELDMTNTREKQKLLYEFNKTEAVSPKAFTLHGLFERQAAFTPERLAIRFSGGSLTYAELDMYASRLAAHLAARGVTNESIVGVLSERSPDMLIAVLAVLKAGGAYLPLDPAYPKERLSYMLKDSGASLLLTQPGCSAPNFSGETLEVDMTSLASEKAENHEFTPADGGSLAYVIYTSGSTGQPKGVAVEHRQAVSFLTGMQHQFPLSEDDIVMVKTSFSFDASVWQLFWWSLSGASAYLLPPGWEKDSALIVQAIHQENVTTAHFIPAMLNSFLDQAEIERLSDRTSLKRVFAGGEPLAPRTAARFASVLPQVSLIHGYGPTEATVDAAFYVLDPERDRDRLRIPIGKPVPGARLYVLDPHLAVQPSGVAGELYIAGAGVARGYLNRPALTEERFLEDPFYPGERMYKTGDVARWLPDGNVEFLGRTDDQVKIRGYRIEPGEIEAALRSIEGVREAAVTVRTDSGEPELCAYVEGLQRNEVRAQLERLLPGYMVPAYMIEMEQWPVTPSGKLDRNALPAPGGAADAETYTAPRNVTEMKLSQLWEDVLKNGPVGIHDNFFDRGGHSLKATALVSRIAKEFDVQVPLKDVFAHPTVEGLATVIREGTDSPYEAIKPAEKQETYPVSSAQKRIYVLQQLEDGGTGYNMPAVLELEGKLNPERMERAFKELIKRHESLRTSFEQDAGGDPVQRIHDEVPFTLQ-TTVLG------ERTEQEAAAAFIKPFDLS-QAPLFRAQIVKISDERHLLLVDMHHIISDGVSVNILIREFGELYNNR----NL-PALRIQYKDYAVWREGFKTGDAYKTQEAYWLKQLEGELPVLDLPADHARPPVRSFAGDKVSFTLDQEVASGLHKLARENGSTLYMVLLAAYTAFLSRLSGQEDIIVGSPIAGRPHKDLEPILGMFVNTLALRTRPEGGKPFVQYLQEVRETALEAFEHQDYPFEELVDKLELTRDMSRNPVFDAMFILQNVEKQDIDLREIKVRPANFAHHISLFDITLIATEI-SGSICCEMEFSTEVFLKATIERWADHFIEFLHEALSTPETSLAQINILSDKEKQKIVFEFNKTQVEFAQKDIPFHRIFEAKAEENPEHIAVIDNETEISYRLLNERANRLARTLQNR-KGPKPTVAVLAKRSIDAIVGVLAVMKAGGVYIPIDAHYPKARIEYILRDSGADILLLQRELKHLISNSPESEMSHIFLDDEGSFEESNCNLNLSPAPEEPVYIIYTSGTTGAPKGVIVTYQNFTHAALAWRQIYELDRKPVRLLQIASFSFDVFSGDLARTLTNGGTLIVCPDETRLEPAEIYKIIKSQRITVMESTPALIIPVMEYVYR--NQFKLPDLDILILGSDMVKAQDFKTLTDRFGQSMRIINSYGVTEATIDSSFYETSMG--GECTGDNVPIGSPLPNVHMYVLSQTDQIQPIGVAGELCIGGAGVAKGYHHKPDLTQMKFTENPFVSGERLYRTGDRACWLPNGTIRLLGRMDYQVKINGYRIETEEIESVLLQTGLVREAAVAVQH------DKNGQAGLAAYIVPSD---VNTNALRAALTKELPAYMIPAYLIPLVNMPLTLNGKLDRNALPAPNNVLSRPYTAPVNDLQKTMAYIWEDVLSMSRVGIHDSFFELGGDSIKALQVAARLA-AEGWSMTIRDLFRYSTIQELCGHITPLASQADQGPAEGEAELTPIQRRFFGQVHAFHYHYNQSVMLFSEKGFNANALHLALRKITEHHDAIRMIFQRDQNGHVIQFNRGINHKDHELFGLYISDWTKASLERAHLDEKLAAEETVIQSKMNVEKGPLLQAGLFKTAEGDHLLIALHHLVIDGVSWRILLEDLAAAYQQALEKKEIQLPPKTDSYLSYADGLTQIAESKQLLSEKTYWQTILDAHTAFLPKDIENVPDKLQMNSDAAAFVLSGDWTEKLLFETQQAYGTDANELLLTALGMALSEWTGHDQIVISTEGHGREGHVPNIDISRTVGWFTSIYPILLDMGIPEPFEDQLAYRIKTTKDMLRRVPNKGTGYGLLTHIGELRHKEPEVSFNYLGQFSEEKEVETFQLSYYQPRYEIAGEREREYELDINALITDGRLHVKAVYTQVFSKHSIECFMDRFHRHLIETIEHCSQKKAREKTLSDFSNKELTLSALSSIEDLVKDL 4ZXJ Chain:A ((2-1041)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LPLVAAQPGIWMAEKLSELPSAWSVAHYVELTGEVDSPLLARAVVAGLAQADTLRMRFTEDN-GEVWQWVDDALTFELPEIIDLRTNIDPHGTAQALMQADLQQDLRVDSGKPLVFHQLIQVADNRWYWYQRYHHLLVDGFSFPAITRQIANIYCTWLRGEPTPASPFTPFADVVEEYQQYRESEAWQRDAAFWAEQRRQLPPPASLSPAPLPGRSASADILRLKLEFTDG--EFRQLATQLSGVQRTDLALALAALWLGRLCNRMDYAAGFIFMRRLGSAALTATGPVLNVLPLGIHIAAQETLPELATRLAAQLKKMRRHQRYDAEQIVRDSGR--AAGDEPLFGPVLNIKVFDYQLD-IPDVQAQTH-TLATGPVNDLELALFPDVHGDLSIEILANKQRYDEPTLIQHAERLKMLIAQFAADPALLCGDVDIMLPGEYAQ-LAQLNATQVEIP--ETTLSALVAEQAAKTPDAPALADARYLFSYREMREQVVALANLLRERGVKPGDSVAVALPRSVFLTLALHAIVEAGAAWLPLDTGYPDDRLKMMLEDARPSLLITTDDQLPRFSDVPN--LTSLCYNA--PLTPQGSAPLQLSQPHHTAYIIFTSGSTGRPKGVMVGQTAIVNRLLWMQNHYPLT-GEDVVAQKTPCSFDVSVWEFFWPFIAGAKLVMAEPEAHRDPLAMQQFFAEYGVTTTHFVPSMLAAFVASLTPQTARQSCATLKQVFCSGEALPADLCREWQQLT--GAPLHNLYGPTEAAVDVSWYPAFGEELAQVRGSSVPIGYPVWNTGLRILDAMMHPVPPGVAGDLYLTGIQLAQGYLGRPDLTASRFIADPFAPGERMYRTGDVARWLDNGAVEYLGRSDDQLKIRGQRIELGEIDRVMQALPDVEQAVTHACVINQAAATGGDARQLVGYLVSQSGLPLDTSALQAQLRETLPPHMVPVVLLQLPQLPLSANGKLDRKALPLPELKAQAPGRAPKAGSETIIAAAFSSLLGCDVQDADADFFALGGHSLLAMKLAAQLSRQVARQVTPGQVMVASTVAKLATIIDA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZXJ.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 : 5735 -25935 -4.52 -25.65 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : -4.52 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.466

(partial model without unconserved sides chains): PDB file : Tito_4ZXJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZXJ-query.scw PDB file : Tito_Scwrl_4ZXJ.pdb: