Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEFKQQELFWSNMFDAEDRLIAFPSFHMSDSALEHDALNTSNSIHTSLRSDVSLRIMTMAIIPMAVYLVLLVGIKCLLHKYTGEESIIVGVPTFEDETDEDLRLDQIMLLKQNINENSTFKSIFNEFKHTLNDAILHQDVPFDKMVGPLNLNYNSNHLPMIPAIVSLDQIHLIHFKETAASDTLFQFDIKNDAIHLKVTYNEQAYDRQYMMQVIEHLNRLFSIILFQPDITISQLNILTDTEINTFKDYNQTAAEYPREKTIHQLFEEQANRTPDQVAVVYEENQLTYQELNEKANQIARTLQSEGVHPDQPVGIMAERSLEMIVGLFGILKAGGAYVPIDPTYPEERIRYILEDSDTKLLLVQHHLREKVPFTGKVLDMEDPQTFSEDGSNLESISGPNQLAYVIYTSGSTGKPKGVMVEHRSVINRLVWMQENYPLDERDAILQKTAITFDVSVWELFWWSIVGSKVVLLPNGGEKNPELILDTIEQKGVSTLHFVPAMLHAFLESMEQTPSGKLKRKLASLRYVFASGEALTPKHVDGFQRIITPVSHAQIINLYGPTEATIDVSYFECEADKRYNSVPIGKPISNIQLYILQAGYMQPVGVAGELCIAGDGLARGYLNRPELTAEKFVKNPFSAGERMYRTGDLARWLPDGNIEYLGRIDHQVKIRGYRIETGEVEAALFHIPSIQESIVLAQEINEEISLCAYYTANDTLTAGELREHLSRQLPSYMIPAYFIQLKRMPLTLNGKIDRRALPSPRENLTGMDYTAPRTELEKILAATWESVLGLERVGVSDHFFELGGDSIKSIQVSSRLYQAGYKFEIKHLFKYPTISELVPYVEPVTRVAEQGEIKGPALLTPIQHWFFDQRYPDLHHYNQAVMLYWKEGLNVPMLREVMRKIVEHHDALRMVYVPAKHGYEARNREIDEGDLFSLEVFSLLEENNVAQTIETLSNEIQQSIQLAEGPLIKLGLFQCQDGDHLLIVAHHLVIDGVSWRILIEDIAAAYEQLLNGEAIQLPKKTDSYLLWAEQLKRYAESPEFEMKNQYWFQHEHIPLPKLPKDNEQEIGLAEDRETIIVQWTAEETERLLKNAHRAYTTEMNDLLLTGLGIAIHRWTGHEDILIHLEGHGRESIIPDLDISRTVGWFTSQYPVFLPIKADHDISQRIKTVKEHLRKIPQKGIGYGIIKYLSDHREDREFTGQPEISFNFLGQFDQDLQNGSIEVSPYSSGKIASDKHPLTYALDINGMISNGRLSLAISYCGKQYHKETMETCADLLKSSLRQVIEHCTAQDQVQLTPSDISLKEISIDELDQFVQQAQHLGEIENIYPLTPMQKGMLFHSLIDSASGAYFEQAAFDLKGLLDIEAFMMSLSQLAKRYDILRTQFYTEWKEQPLQIVLRHKPIETVVEDIRDMNVDQRSEFIAAFARKDKERGFNLIRDALMRVSILRTDEEKARLIWSFHHILMDGWCLPLITKEVFETYYAIIERRQPKRDAVTPYRQYIEWLDEQDHEQAAVYWRDYLDDYEGQTVLLKEPFSDQARGYQKQKLACRLGKQLTEEIKRAASQHHVTVNTWMQTAWGLLLQRYNGTQDVVFGTVVSGRPADIPGIESMVGLFINTIPVRVCAQPEMTVAQVLKMNQEHALASQPYDTFPLYEIQAQTEQKQQLINHIMVFENYPVEKQMEHMKRDHDVLDISDFHLEEHTHYDFNFIVMPAEDMEMHFVYNANVYDQATVERIQAHFMEIIKQMVNDTAVHVQELDILSEDERSLLIEKFNDTATEYPKEKTIYQLFEEQAARTPEQIAIVFEDQKLTYRQLNEQANQLARTLRAKGVRSDRTAAIISDH-SIELVVGILAVLKAGGAYVPIDPDYPEQRIQYILNDSKTEIVLTQSHLQQRLAHEGTIVLLDDENSYHKERSNLERISNIKD--LAYVIYTSGSTGKPKGVLIEHQGLTNYIWWADRVYVKGEKTTFPLYSSIAFDLTVTSIFTPLISGNAI-IVYGDK-DRTTLLSSIIEDSRVDIIKLTPAHLQL-LKEMNISPECT--IRKMIVGGDNLSTRLAQNISEQFQDQIEIFNEYGPTE-TVVGCMIYLYDPKKDRQESVPIGTAAANMNIYLLDTGMKPVPIGVPGEMYISGAGVARGYLNRPDLTAEKFVEHPFAAGERMYKTGDAARWMPDGHMEYLGRIDHQVKVRGYRIELGEVEAALLLVESVKEAVVIAVEEEGSNQ-LCAYVTGDES--LKTLQL----KQQLQNKLPAYMIPAYFVQIEEMPLTANGKIDREALPAPDGNMLAGTEYAAPRTLIEKQLAEIWKEVLAHSELGIKDNFFDVGGHSLKVLQLVDQINKVMGIKLHYHVVYEAPTIETMAHAIQAAALPSKTENVFVKLNQNGSIPVFCFPPLIGYGLVYNEMANRLDGDCVVYAADFTEDPSYKKPIIDRFAESMIDIQEQGPFVLLGYSSGSNLAFEVAKALEQRGRTVSDVIMLDSQITTSVTHLSEKEVEEIIHLNLDIIPVYYRELLTIPSIKEKIRGYLAYHNQLINSGTINANIHHLLCDDMTERGWTHSTAHNYKEYELKGDHVTIFDPQYIEENMSTIRSIMKCIEEQQLGELVPHEQLSYMSRTKSDRT 3E7X Chain:A ((15-497)) ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------PQTDAFRSQGQSLTYQELWEQSDRAAAAIQKRISGEKKSPILVYGHMEPHMIVSFLGSVKAGHPYIPVDLSIPSERIAKIIESSGAELLIHAAGLSIDAVGQ-QIQTVSAEELLENEGGSVSQDQWVKEHETFYIIYTSGSTGNPKGVQISAANLQSFTDWICADFPVSGGKIFLNQAPFSFDLSVMDLYPCLQSGGTLHCVTKDAVNKPKVLFEELKKSGLNVWTSTPSFVQMCLMDPGFSQDLLPHADTFMFCGEVLPVSVAKALLERF-PKAKIFNTYGPTEATVAVTSVEITNDVISRSESLPVGFAKPDMNIFIMDEEGQPLPEGEKGEIVIAGPSVSRGYLGEPELTEKAFFSH---EGQWAYRTGDAG-FIQDGQIFCQGRLDFQIKLHGYRMELEEIEFHVRQSQYVRSAVVIPYQPNGTVEYLIAAIVPEEHEFEKEFQLTSAIKKELAASLPAYMIPRKFIYQDHIQMTANGKIDRKRI------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3E7X.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 : 2688 -266922 -99.30 -571.57 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.56 3D Compatibility (PKB) : -99.30 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.56 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_3E7X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3E7X-query.scw PDB file : Tito_Scwrl_3E7X.pdb: