Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEFKQQELFWSNMFDAEDRLIAFPSFHMSDSALEHDALNTSNSIHTSLRSDVSLRIMTMAIIPMAVYLVLLVGIKCLLHKYTGEESIIVGVPTFEDETDEDLRLDQIMLLKQNINENSTFKSIFNEFKHTLNDAILHQDVPFDKMVGPLNLNYNSNHLPMIPAIVSLDQIHLIHFKETAASDTLFQFDIKNDAIHLKVTYNEQAYDRQYMMQVIEHLNRLFSIILFQPDITISQLNILTDTEINTFKDYNQTAAEYPREKTIHQLFEEQANRTPDQVAVVYEENQLTYQELNEKANQIARTLQSEGVHPDQPVGIMAERSLEMIVGLFGILKAGGAYVPIDPTYPEERIRYILEDSDTKLLLVQHHLREKVPFTGKVLDMEDPQTFSEDGSNLESISGPNQLAYVIYTSGSTGKPKGVMVEHRSVINRLVWMQENYPLDERDAILQKTAITFDVSVWELFWWSIVGSKVVLLPNGGEKNPELILDTIEQKGVSTLHFVPAMLHAFLESMEQTPSGKLKRKLASLRYVFASGEALTPKHVDGFQRIITPVSHAQIINLYGPTEATIDVSYFECEADKRYNSVPIGKPISNIQLYILQAGYMQPVGVAGELCIAGDGLARGYLNRPELTAEKFVKNPFSAGERMYRTGDLARWLPDGNIEYLGRIDHQVKIRGYRIETGEVEAALFHIPSIQESIVLAQEINEEISLCAYYTANDTLTAGELREHLSRQLPSYMIPAYFIQLKRMPLTLNGKIDRRALPSPRENLTGMDYTAPRTELEKILAATWESVLGLERVGVSDHFFELGGDSIKSIQVSSRLYQAGYKFEIKHLFKYPTISELVPYVEPVTRVAEQGEIKGPALLTPIQHWFFDQRYPDLHHYNQAVMLYWKEGLNVPMLREVMRKIVEHHDALRMVYVPAKHGYEARNREIDEGDLFSLEVFSLLEENNVAQTIETLSNEIQQSIQLAEGPLIKLGLFQCQDGDHLLIVAHHLVIDGVSWRILIEDIAAAYEQLLNGEAIQLPKKTDSYLLWAEQLKRYAESPEFEMKNQYWFQHEHIPLPKLPKDNEQEIGLAEDRETIIVQWTAEETERLLKNAHRAYTTEMNDLLLTGLGIAIHRWTGHEDILIHLEGHGRESIIPDLDISRTVGWFTSQYPVFLPIKADHDISQRIKTVKEHLRKIPQKGIGYGIIKYLSDHREDREFTGQPEISFNFLGQFDQDLQNGSIEVSPYSSGKIASDKHPLTYALDINGMISNGRLSLAISYCGKQYHKETMETCADLLKSSLRQVIEHCTAQDQVQLTPSDISLKEISIDELDQFVQQAQHLGEIENIYPLTPMQKGMLFHSLIDSASGAYFEQAAFDLKGLLDIEAFMMSLSQLAKRYDILRTQFYTEWKEQPLQIVLRHKPIETVVEDIRDMNVDQRSEFIAAFARKDKERGFNLIRDALMRVSILRTDEEKARLIWSFHHILMDGWCLPLITKEVFETYYAIIERRQPKRDAVTPYRQYIEWLDEQDHEQAAVYWRDYLDDYEGQTVLLKEPFSDQARGYQKQKLACRLGKQLTEEIKRAASQHHVTVNTWMQTAWGLLLQRYNGTQDVVFGTVVSGRPADIPGIESMVGLFINTIPVRVCAQPEMTVAQVLKMNQEHALASQPYDTFPLYEIQAQTEQKQQLINHIMVFENYPVEKQMEHMKRDHDVLDISDFHLEEHTHYDFNFIVMPAEDMEMHFVYNANVYDQATVERIQAHFMEIIKQMVNDTAVHVQELDILSEDERSLLIEKFNDTATEYPKEKTIYQLFEEQAARTPEQIAIVFEDQKLTYRQLNEQANQLARTLRAKGVRSDRTAAIISDHSIELVVGILAVLKAGGAYVPIDPDYPEQRIQYILNDSKTEIVLTQSHLQQRLAHEG---TIVLLDDENSYHKERSNLERISNIKDLAYVIYTSGSTGKPKGVLIEHQGLTNYIWWADRVYVKGEKTTFPLYSSIAFDLTVTSIFTPLISGNAIIVYGDKDR--TTLLSSIIEDSRVDIIKLTPAHLQLLKEMNISPECTIRKMIVGGDNLSTRLAQNISEQFQDQIEIFNEYGPTETVVGCMIYLYDPKKDRQESVPIGTAAANMNIYLLDTGMKPVPIGVPGEMYISGAGVARGYLNRPDLTAEKFVEHPFAAGERMYKTGDAARWMPDGHMEYLGRIDHQVKVRGYRIELGEVEAALLLVESVKEAVVIAVE-EEGSNQLCAYVTGDESLKTLQLKQQLQNKLPAYMIPAYFVQIEEMPLTANGKIDREALPAPDGNMLAGTEYAAPRTLIEKQLAEIWKEVLAHSELGIKDNFFDVGGHSLKVLQLVDQINKVMGIKLHYHVVYEAPTIETMAHAIQAAALPSKTENVFVKLNQNGSIPVFCFPPLIGYGLVYNEMANRLDGDCVVYAADFTEDPSYKKPIIDRFAESMIDIQEQGPFVLLGYSSGSNLAFEVAKALEQRGRTVSDVIMLDSQITTSVTHLSEKEVEEIIHLNLDIIPVYYRELLTIPSIKE-KIR-GYLA-YHNQLINSGTINANIHHLLCDDM-----TERGWTHSTAHNYKEYELKGDHVTIFDPQYIEENMSTIRSIMKCIEEQQLGELVPHEQLSYMSRTKSDRT 2VSQ Chain:A ((7-1272)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DQVQDMYYLSPMQEGMLFHAILNPGQSFYLEQITMKVKGSLNIKCLEESMNVIMDRYDVFRTVFIHEKVKRPVQVVLKKRQFHIEEIDLTHLTGSEQTAKINEYKEQDKIRGFDLTRDIPMRAAIFKKAEESFEWVWSYHHIILDGWCFGIVVQDLFKVYNALREQKPYSLPPVKPYKDYIKWLEKQDKQASLRYWREYLEGFEGQTTFAEQRKKQ-KDGYEPKELLFSPSEAETKAFTELAKSQHTTLSTALQAVWSVLISRYQQSGDLAFGTVVSGRPAEIKGVEHMVGLFINVVPRRVKLSEGITFNGLLKRLQEQSLQSEPHQYVPLYDIQSQAD-QPKLIDHIIVFENYPLQDAKNEE-SSENGFDMVDVHVFEKSNYDLNLMASPGDEMLIKLAYNENVFDEAFILRLKSQLLTAIQQLIQNPDQPVSTINLVDDREREFLLTGLNPPAQA-HETKPLTYWFKEAVNANPDAPALTYSGQTLSYRELDEEANRIARRLQKHGAGKGSVVALYTKRSLELVIGILGVLKAGAAYLPVDPKLPEDRISYMLADSAAACLLTHQEMKEQAAELPYTGTTLFIDDQTRFEEQASDPATAIDPNDPAYIMYTSGTTGKPKGNITTHANIQGLVKHV-DYMAFSDQDTFLSVSNYAFDAFTFDFYASMLNAARLIIADEHTLLDTERLTDLILQENVNVMFATTALFNLLTDAGEDWMKGLRCILFGGERASVPHVRKALRIM-GPGKLINCYGPTEGTVFATAHVVHDLPDSISSLPIGKPISNASVYILNEQSQLQPFGAVGELCISGMGVSKGYVNRADLTKEKFIENPFKPGETLYRTGDLARWLPDGTIEYAGRIDDQVKIRGHRIELEEIEKQLQEYPGVKDAVVVADRHESGDASINAYLVNRTQLSAEDVKAHLKKQLPAYMVPQTFTFLDELPLTTNGKVNKRLLPKPDQDQL-AEEWIGPRNEMEETIAQIWSEVLGRKQIGIHDDFFALGGHALKAMTAASRIKKELGIDLPVKLLFEAPTIAGISAYLKNGGSDGL--QDVTIMNQDQEQIIFAFPPVLGYGLMYQNLSSRLP-SYKLCAFDFI--E--EEDRLDRYADLIQKLQPEGPLTLFGYSAGCSLAFEAAKKLEEQGRIVQRIIMVDSYKKQGVS-----TVESDVEALM-NVNR-------EAVKHGLKQKTHAFYSYYVN-----QVKADIDLLTSGADFDIPEWLASWEEATTGVYRMKRGFGTHAEMLQGETLDRNAEILLEFLNTQTV-----------------------

General information: TITO was launched using: RESULT: Template: 2VSQ.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 : 6710 -694513 -103.50 -562.36 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -103.50 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.479

(partial model without unconserved sides chains): PDB file : Tito_2VSQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2VSQ-query.scw PDB file : Tito_Scwrl_2VSQ.pdb: