Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEFKQQELFWSNMFDAEDRLIAFPSFHMSDSALEHDALNTSNSIHTSLRSDVSLRIMTMAI-IPMAVYLVLLVGIKCLLHKYTGEESIIVGVPTFEDETDE-----DLRLDQIMLLKQNINENSTFKSIFNEFKHTLNDAILHQDVPFDKMVGPLNLNYNSNHLPMIPAIVSLDQIHLIH-------------------F--------KETAASDTLFQFDI-KNDAIHLKVTYNEQAYDRQYMMQVIEHLNRLFSIILFQPDITISQLNILTDTEINTFK-DYNQTAAEYPREKTIHQLFEEQANRTPDQVAVVYEENQLTYQELNEKANQIARTLQSEGVHPDQPVGIMAERSLEMIVGLFGILKAGGAYVPIDPTYPEERIRYILEDSDTKLLLVQHHLREKVPFTGKVLDMEDPQTFSEDGSNLESISGPNQLAYVIYTSGSTGKPKGVMVEHRSVINRLVWMQENYPLDERDAILQKTAITFDVSVWELFWWSIVGSKVVLLPNGGEKNPELILDTIEQKGVSTLHFVPAMLHAFLESMEQTPSGKLKRKLASLRYVFASGEALTPKHVDGFQRIITPVSHAQIINLYGPTEATIDVSYFECEADKRYNSVPIGKPISNIQLYILQA-GYMQPVGVAGELCIAGDGLARGYLNRPELTAEKFVKNPFS-AGERMYRTGDLARWLPDGNIEYLGRIDHQVKIRGYRIETGEVEAALFHIPSIQESIVLAQEI-NEEISLCAYYTANDTLTAGELREHLSRQLPSYMIPAYFIQLKRMPLTLNGKIDRRALPSPRENLTGMDYTAPRTELEKILAATWESVLGLERVGVSDHFFELGGDSIKSIQVSSRLYQ-AGYKFEIKHLFKYPTISELVPYVEPVTRVAEQGEIKGPALLTPIQHWFFDQRYPDLHHYNQAVMLYWKEGLNVPMLREVMRKIVEHHDALRMVYVPAKHGYEARNREIDEGDLFSLEVFSLLEENNVAQTIETLSNEIQQSIQLAEGPLIKLGLFQCQDGDHLLIVAHHLVIDGVSWRILIEDIAAAYEQLLNGEAIQLPKKTDSYLLWAEQLKRYAESPEFEMKNQYWFQHEHIPLPKLPKDNEQEIGLAEDRETIIVQWTAEETERLLKNAHRAYTTEMNDLLLTGLGIAIHRWTGHEDILIHLEGHGRESIIPDLDISRTVGWFTSQYPVFLPIKADHDISQRIKTVKEHLRKIPQKGIGYGIIKYLSDHREDREFTGQPEISFNFLGQFDQDLQNGSIEVSPYSSGKIASDKHPLTYALDINGMISNGRLSLAISYCGKQYHKETMETCADLLKSSLRQVIEHCTAQDQVQLTPSDISLKEISIDELDQFVQQAQHLGEIENIYPLTPMQKGMLFHSLIDSASGAYFEQAAFDLKGLLDIEAFMMSLSQLAKRYDILRTQFYTEWKEQPLQIVLRHKPIETVVEDIRDMNVDQRSEFIAAFARKDKERGFNLIRDALMRVSILRTDEEKARLIWSFHHILMDGWCLPLITKEVFETYYAIIERRQPKRDAVTPYRQYIEWLDEQDHEQAAVYWRDYLDDYEGQTVLLKEPFSDQARGYQKQKLACRLGKQLTEEIKRAASQHHVTVNTWMQTAWGLLLQRYNGTQDVVFGTVVSGRPADIPGIESMVGLFINTIPVRVCAQPEMTVAQVLKMNQEHALASQPYDTFPLYEIQAQTEQKQQLINHIMVFENYPVEKQMEHMKRDHDVLDISDFHLEEHTHYDFNFIVMPAEDMEMHFVYNANVYDQATVERIQAHFMEIIKQMVNDTAVHVQELDILSEDERSLLIEKFNDTATEYPKEKTIYQLFEEQAARTPEQIAIVFEDQKLTYRQLNEQANQLARTLRAKGVRSDRTAAIISDHSIELVVGILAVLKAGGAYVPIDPDYPEQRIQYILNDSKTEIVLTQSHLQQRLAHEGTIVLLDDENSYHKERSNLERISNIKDLAYVIYTSGSTGKPKGVLIEHQGLTNYIWWADRVYVKGEKTTFPLYSSIAFDLTVTSIFTPLISGNAIIVYGDKDRTTLLSSIIEDSRVDIIKLTPAHLQLLKEMNISPECTIRKMIVGGDNLSTRLAQNISEQFQDQIEIFNEYGPTETVVGCMIYLYDPKKDRQESVPIGTAAANMNIYLLDTGMKPVPIGVPGEMYISGAGVARGYLNRPDLTAEKFVEHPFAAGERMYKTGDAARWMPDGHMEYLGRIDHQVKVRGYRIELGEVEAALLLVESVKEAVVIAVEEEGSNQLCAYVTGDESLKTLQLKQQLQNKLPAYMIPAYFVQIEEMPLTANGKIDREALPAPDGNMLAGTEYAAPRTLIEKQLAEIWKEVLAHSELGIKDNFFDVGGHSLKVLQLVDQINKVMGIKLHYHVVYEAPTIETMAHAIQAAALPSKTENVFVKLNQNGSIPVFCFPPLIGYGLVYNEMANRLDGDCVVYAADFTEDPSYKKPIIDRFAESMIDIQEQGPFVLLGYSSGSNLAFEVAKALEQRGRTVSDVIMLDSQITTSVTHLSEKEVEEIIHLNLDIIPVYYRELLTIPSIKEKIRGYLAYHNQLINSGTINANIHHLLCDDMTERGWTHSTAHNYKEYELKGDHVTIFDPQYIEENMSTIRSIMKCIEEQQLGELVPHEQLSYMSRTKSDRT 4ZXH Chain:A ((195-1048)) ---TDESLIFWKNALKHAPHVHSIPLDYPRPAV----QQHKGSSLVFRVSESVSSGLVNLAKDYEITLFGLVLSGFYVLLHKLSNENNLVIATPVAGRLERSLRNALGQFVNTIA-IHMDIDADQTLRQFTQQVQEQLRQSLKHQKIAFSRVVEAVSPKRDGSINPLAQIGMFWERLGGMDEFKELLLPIQTPATLVGQDLTLGSFPVRQQEGQLDITLEMGGEYQGELVGVLKYNTDLFSAQSAENMVQLLQAVLSEMVAHPERKIVELDIAPDYKDGIQFEALRGKATD-YAQHDLFAMILKQIDERGDNHALTS--HTVSYRELGQHIAGIAEYLRAHGITQGDRVGLMLDRTALLPAAILGIWAAGAAYVPLDPNFPTERLQNIIEDAEPKVILTQTELMDGLNVSVPRLDINQAGV--VALEQVRETLAFGDIAYVMYTS----KPKGVRIGHPSIINFLLSMNDRLQVTTETQLLAITTYAFDISILELLIPLMYGGVVHVCPREVSQDGIQLVDYLNAKSINVLQATPATWKMLLDSEW---------SGNAGLTALCGGEALDTILAEKLLGK-----VGCLWNVYGPTETTVWSSAARIT---DAKYIDLGEPLANTQLYVLDEQQRLVPPGVMGELWIGGDGLAVDYWQRPELTDAQFRTLPSLPNAGRLYRTGDKVCLRTDGRLTHHGRLDFQVKIRGFRIELGEIENVLKQIDGITDAVVLVKTTGDNDQKLVAYVTGQE-LDIAGLKKNLQIHLPAYMVPSAFIRLDEFPMTANKKLDRKAFPEPIFEQS-NDYVAPRDPIEIELCTTFEQILSVKRVGIHDDFFELGGHSLLAVKLVNHLKKAFGTELSVALLAQYSTVERLGEIIRENK------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4ZXH.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 : 4490 -517880 -115.34 -640.15 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.59 3D Compatibility (PKB) : -115.34 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.59 QMean score : 0.471

(partial model without unconserved sides chains): PDB file : Tito_4ZXH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ZXH-query.scw PDB file : Tito_Scwrl_4ZXH.pdb: