Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEHTYSLTHAQRRVWFTELLEPDTSICNLTACVKFKGNIELDTLEGALNHSISRNDAIRFQLLEGEELEPRLHLTEYKYYPLRIIDFSNVEMIEIEQWIQDQASIPFKLFNSPLFQFYLLRIDSHEVWLFAKFHHIIMDGISLNVMGNQIIDLYQKMKKKDPLPDQPEPSYLSYIEKESQYLQSPRFAKDRLFWTQTFEHPLEYHSLADQTSLQKQSTSASRDTIILSPDLEQTIRIFCEEHKINIISLFMASFYICISRITSKKDLAIGTYYGNRGSKAEKEMLGMFVSSLPIRITVDPDTDFLSFVRTIGREQLSVMRHQRFPYNLLVNELRNEQKDLHNLIGISMQYQPLQWHNADDFDYETALYFSGYTANELSVQIQERIDNGTIQLNFDYQNTLFSLEDIKRIQSHLLTILENALKHPHSFIRELDMTNTREKQKLLYEFNKTEAVSPKAFTLHGLFERQAAFTPERLAIRFSGGSLTYAELDMYASRLAAHLAARGVTNESIVGVLSERSPDMLIAVLAVLKAGGAYLPLDPAYPKERLSYMLKDSGASLLLTQPG----CSAPNFSGETLEVDMTSLASEKAENHEFTPADGGSLAYVIYTSGSTGQPKGVAVEHRQAVSFLTGMQHQFPLSEDDIVMVKTSFSFDASVWQLFWWSLSGASAYLLPPGWEKDSALIVQAIHQENVTTAHFIPAMLNSFLDQAEIERLSDRTSLKRVFAGGEPLAPRTAARFASVLPQVSLIHGYGPTEATVDAAFYVLDPERDRDRLRIPIGKPVPGARLYVLDPHLAVQPSGVAGELYIAGAGVARGYLNRPALTEERFLEDPFYPGERMYKTGDVARWLPDGNVEFLGRTDDQVKIRGYRIEPGEIEAALRSIEGVREAAVTVRTDSGE-PELCAYV---EGLQRNEVRAQLERLLPGYMVPAYMIEMEQWPVTPSGKLDRNALPAP----GGAADAETYTAPRNVTEMKLSQLWEDVLKNGPVGIHDNFFDRGGHSLKATALVSRIAKEFDVQVPLKDVFAHPTVEGLATVIREGTDSPYEAIKPAEKQETYPVSSAQKRIYVLQQLEDGGTGYNMPAVLELEGKLNPERMERAFKELIKRHESLRTSFEQDAGGDPVQRIHDEVPFTLQTTVLGERTEQEAAAAFIKPFDLSQAPLFRAQIVKISDERHLLLVDMHHIISDGVSVNILIREFGELYNNRNLPALRIQYKDYAVWREGFKTGDAYKTQEAYWLKQLEGELPVLDLPADHARPPVRSFAGDKVSFTLDQEVASGLHKLARENGSTLYMVLLAAYTAFLSRLSGQEDIIVGSPIAGRPHKDLEPILGMFVNTLALRTRPEGGKPFVQYLQEVRETALEAFEHQDYPFEELVDKLELTRDMSRNPVFDAMFILQNVEKQDIDLREIKVRPANFAHHISLFDITLIATEISGSICCEMEFSTEVFLKATIERWADHFIEFLHEALSTPETSLAQINILSDKEKQKIVFEFNKTQVEFAQKDIPFHRIFEAKAEENPEHIAVIDNETEISYRLLNERANRLARTLQNRKGPKPTVAVLAKRSIDAIVGVLAVMKAGGVYIPIDAHYPKARIEYILRDSGADILLLQRELKHLISNSPESEMSHIFLDDEGSFEESNCNLNLSPAPEEPVYIIYTSGTTGAPKGVIVTYQNFTHAALAWRQIYELDRKPVRLLQIASFSFDVFSGDLARTLTNGGTLIVCPDETRLEPAEIYKIIKSQRITVMESTPALIIPVMEYVYRNQFKLPDLDILILGSDMVKAQDFKTLTDRFGQSMRIINSYGVTEATIDSSFYETSMGGECTGDNVPIGSPLPNVHMYVLSQTDQIQPIGVAGELCIGGAGVAKGYHHKPDLTQMKFTENPFVSGERLYRTGDRACWLPNGTIRLLGRMDYQVKINGYRIETEEIESVLLQTGLVREAAVAVQHDKNGQAGLAAYIVPSDVNTNALRAALTKELPAYMIPAYLIPLVNMPLTLNGKLDRNALPAPNNVLSRPYTAPVNDLQKTMAYIWEDVLSMSRVGIHDSFFELGGDSIKALQVAARLAAEGWSMTIRDLFRYSTIQELCGHITPLASQADQGPAEGEAELTPIQRRFFGQVHAFHYHYNQSVMLFSEKGFNANALHLALRKITEHHDAIRMIFQRDQNGHVIQFNRGINHKDHELFGLYISDWTKASLERAHLDEKLAAEETVIQSKMNVEKGPLLQAGLFKTAEGDHLLIALHHLVIDGVSWRILLEDLAAAYQQALEKKEIQLPPKTDSYLSYADGLTQIAESKQLLSEKTYWQTILDAHTAFLPKDIENVPDKLQMNSDAAAFVLSGDWTEKLLFETQQAYGTDANELLLTALGMALSEWTGHDQIVISTEGHGREGHVPNIDISRTVGWFTSIYPILLDMGIPEPFEDQLAYRIKTTKDMLRRVPNKGTGYGLLTHIGELRHKEPEVSFNYLGQFSEEKEVETFQLSYYQPRYEIAGEREREYELDINALITDGRLHVKAVYTQVFSKHSIECFMDRFHRHLIETIEHCSQKKAREKTLSDFSNKELTLSALSSIEDLVKDL 1AMU Chain:B ((17-530)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GTHEEEQYLFAVNNTKAEYPRDKTIHQLFEEQVSKRPNNVAIVCENEQLTYHELNVKANQLARIFIEKGIGKDTLVGIMMEKSIDLFIGILAVLKAGGAYVPIDIEYPKERIQYILDDSQARMLLTQKHLVHLIHN-QFNGQVEIFEEDTIKIREGTNLH-VPSKSTDLAYVIYT-----NPKGTMLEHKGISNLKVFFENSLNVTEKDRIGQFASISFDASVWEMFMALLTGASLYIILKDTINDFVKFEQYINQKEITVITLPP----TYVVHLDPERI---LSIQTLITAGSATSPSLVNKWKE---KVTYINAYGPTETTICATTWVATKETIGHS--VPIGAPIQNTQIYIVDENLQLKSVGEAGELCIGGEGLARGYWKRPELTSQKFVDNPFVPGEKLYKTGDQARWLSDGNIEYLGRIDNQVKIRGHRVELEEVESILLKHMYISETAVSVHKDHQEQPYLCAYFVSEKHIPLEQLRQFSSEELPTYMIPSYFIQLDKMPLTSNGKIDRKQLPEPDLTF---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1AMU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2866 -68841 -24.02 -138.79 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain B : 0.57 3D Compatibility (PKB) : -24.02 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.573

(partial model without unconserved sides chains): PDB file : Tito_1AMU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1AMU-query.scw PDB file : Tito_Scwrl_1AMU.pdb: