Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEHTYSLTHAQRRVWFTELLEPDTSICNLTACVKFKGNIELDTLEGALNHSISRNDAIRFQLLEGEELEPRLHLTEYKYYPLRIIDFSNVEMIEIEQWIQDQASIPFKLFNSPLFQFYLLRIDSHEVWLFAKFHHIIMDGISLNVMGNQIIDLYQKMKKKDPLPDQPEPSYLSYIEKESQYLQSPRFAKDRLFWTQTFEHPLEYHSLADQTSLQKQSTSASRDTIILSPDLEQTIRIFCEEHKINIISLFMASFYICISRITSKKDLAIGTYYGNRGSKAEKEMLGMFVSSLPIRITVDPDTDFLSFVRTIGREQLSVMRHQRFPYNLLVNELRNEQKDLHNLIGISMQYQPLQWHNADDFDYETALYFSGYTANELSVQIQERIDNGTIQLNFDYQNTLFSLEDIKRIQSHLLTILENALKHPHSFIRELDMTNTREKQKLLYEFNKTEAVSPKAFTLHGLFERQAAFTPERLAIRFSGGSLTYAELDMYASRLAAHLAARGVTNESIVGVLSERSPDMLIAVLAVLKAGGAYLPLDPAYPKERLSYMLKDSGASLLLTQPGCSAPNFSGETLEVDMTSLASEKAENHEFTPADGGSLAYVIYTSGSTGQPKGVAVEHRQAVSFLTGMQHQFPLSEDDIVMVKTSFSFDASVWQLFWWSLSGASAYLLPPGWEKDSALIVQAIHQENVTTAHFIPAMLNSFLDQAEIERLSDRTSLKRVFAGGEPLAPRTAARFASVLPQVSLIHGYGPTEATVDAAFYVLDPERDRDRLRIPIGKPVPGARLYVLDPHLA-VQPSGVAGELYIAGAGVARGYLNRPALTEERFLEDPFY-PGERMYKTGDVARWLPDGNVEFLGRTDDQVKIRGYRIEPGEIEAALRSIEGVREAAVTVRTD-SGEPELCAYVEGLQRNEVRAQLERLLPGYMVPAYMIEMEQWPVTPSGKLDRNALPAPGGAADAETYTAPRNVTEMKLSQLWEDVLKNGPVGIHDNFFDRGGHSLKATALVSRIAKE-FDVQVPLKDVFAHPTVEGLATVIREGTDSPYEAIKPAEKQETYPVSSAQKRIYVLQQLEDGGTGYNMPAVLELEGKLNPERMERAFKELIKRHESLRTSFEQDAGGDPVQRIHDEVPFTLQTTVLGERTEQEAAAAFIKPFDLSQAPLFRAQIVKISDERHLLLVDMHHIISDGVSVNILIREFGELYNNRNLPALRIQYKDYAVWREGFKTGDAYKTQEAYWLKQLEGELPVLDLPADHARPPVRSFAGDKVSFTLDQEVASGLHKLARENGSTLYMVLLAAYTAFLSRLSGQEDIIVGSPIAGRPHKDLEPILGMFVNTLALRTRPEGGKPFVQYLQEVRETALEAFEHQDYPFEELVDKLELTRDMSRNPVFDAMFILQNVEKQDIDLREIKVRPANFAHHISLFDITLIATEISGSICCEMEFSTEVFLKATIERWADHFIEFLHEALSTPETSLAQINILSDKEKQKIVFEFNKTQVEFAQKDIPFHRIFEAKAEENPEHIAVIDNETEISYRLLNERANRLARTLQNRKGPKPTVAVLAKRSIDAIVGVLAVMKAGGVYIPIDAHYPKARIEYILRDSGADILLLQRELKHLISNSPESEMSHIFLDDEGSFEESNCNLNLSPAPEEPVYIIYTSGTTGAPKGVIVTYQNFTHAALAWRQIYELDRKPVRLLQIASFSFDVFSGDLARTLTNGGTLIVCPDETRLEPAEIYKIIKSQRITVMESTPALIIPVMEYVYRNQFKLPDLDILILGSDMVKAQDFKTLTDRFGQSMRIINSYGVTEATIDSSFYETSMGGECTGDNVPIGSPLPNVHMYVLSQTDQIQPIGVAGELCIGGAGVAKGYHHKPDLTQMKFTENPFVSGERLYRTGDRACWLPNGTIRLLGRMDYQVKINGYRIETEEIESVLLQTGLVREAAVAVQHDKNGQAGLAAYIVPSDVNTNALRAALTKELPAYMIPAYLIPLVNMPLTLNGKLDRNALPAPNNVLSRPYTAPVNDLQKTMAYIWEDVLSMSRVGIHDSFFELGGDSIKALQVAARLAAEGWSMTIRDLFRYSTIQELCGHITPLASQADQGPAEGEAELTPIQRRFFGQVHAFHYHYNQSVMLFSEKGFNANALHLALRKITEHHDAIRMIFQRDQNGHVIQFNRGINHKDHELFGLYISDWTKASLERAHLDEKLAAEETVIQSKMNVEKGPLLQAGLFKTAEGDHLLIALHHLVIDGVSWRILLEDLAAAYQQALEKKEIQLPPKTDSYLSYADGLTQIAESKQLLSEKTYWQTILDAHTAFLPKDIENVPDKLQMNSDAAAFVLSGDWTEKLLFETQQAYGTDANELLLTALGMALSEWTGHDQIVISTEGHGREGHVPNIDISRTVGWFTSIYPILLDMGIPEPFEDQLAYRIKTTKDMLRRVPNKGTGYGLLTHIGELRHKEPEVSFNYLGQFSEEKEVETFQLSYYQPRYEIAGEREREYELDINALITDGRLHVKAVYTQVFSKHSIECFMDRFHRHLIETIEHCSQKKAREKTLSDFSNKELTLSALSSIEDLVKDL 4DG9 Chain:A ((18-604)) ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------NSLLDLYAHPTVVARFSEMAALHPHREAIRDRFGSVDYRQLLDSAEQLSDYLLEHYPQPGVCLGVYGEYSRESITCLLAILLSGHHYLYIDLKQPAAWNAELCRQVDCRLILDCS--TTPTPANGLPCVPVRHLPAAPASVAR-PCFAADQIAYINFSSGTTGRPKAIACTHAGITRLCLGQSF-LAFAPQMRFLVNSPLSFDAATLEIWGALLNGGCCVLNDLG-PLDPGVLRQLIGERGADSAWLTASLFNTLVDL----DPDCLGGLRQLLTGGDILSVPHVRRALLRHPRLHLVNGYGPTENTTFTCCHVVTDDDLEED-DIPIGKAIAGTAVLLLDEHGQEIAEPDRAGEIVAFGAGLAQGYRNDAARTRASFVELPYRGRLLRAYRTGDRARYDEQGRLRFIGRGDGQVKLNGYRLDLPALEQRFRRQPGILDCALLVRERNGVKQLLCAWT--GKADASPQALLRQLPTWQRPHACVRVEALPLTAHGKLDRAALLRRL----------ELDPDQRGCAQLWSELLG---CEVGADFFLCGGNSLLALQLVALCQSAGAGANLGLADLQANSRLDQFSRLLRSHGLAPERLLE-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4DG9.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 : 3365 -229833 -68.30 -402.51 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -68.30 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.513

(partial model without unconserved sides chains): PDB file : Tito_4DG9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4DG9-query.scw PDB file : Tito_Scwrl_4DG9.pdb: