Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEFKQQELFWSNMFDAEDRLIAFPSFHMSDSALEHDALNTSNSIHTSLRSDVSLRIMTMAIIPMAVYLVLLVGIKCLLHKYTGEESIIVGVPTFEDETDEDLRLDQIMLLKQNINENSTFKSIFNEFKHTLNDAILHQDVPFDKMVGPLNLNYNSNHLPMIPAIVSLDQIHLIHFKETAASDTLFQFDIKNDAIHLKVTYNEQAYDRQYMMQVIEHLNRLFSIILFQPDITISQLNILTDTEINTFKDYNQTAAEYPREKTIHQLFEEQANRTPDQVAVVYEENQLTYQELNEKANQIARTLQSEGVHPDQPVGIMAERSLEMIVGLFGILKAGGAYVPIDPTYPEERIRYILEDSDTKLLLVQHHLREKVPFTGKVLDMEDPQTFSEDGSNLESISGPNQLAYVIYTSGSTGKPKGVMVEHRSVINRLVWMQENYPLDERDAILQKTAITFDVSVWELFWWSIVGSKVVLLPNGGEKNPELILDTIEQKGVSTLHFVPAMLHAFLESMEQTPSGKLKRKLASLRYVFASGEALTPKHVDGFQRIITPVSHAQIINLYGPTEATIDVSYFECEADKRYNSVPIGKPISNIQLYILQAGYMQPVGVAGELCIAGDGLARGYLNRPELTAEKFVKNPFSAGERMYRTGDLARWLPDGNIEYLGRIDHQVKIRGYRIETGEVEAALFHIPSIQESIVLAQEINEEISLCAYYTANDTLTAGELREHLSRQLPSYMIPAYFIQLKRMPLTLNGKIDRRALPSPRENLTGMDYTAPRTELEKILAATWESVLGLERVGVSDHFFELGGDSIKSIQVSSRLYQAGYKFEIKHLFKYPTISELVPYVEPVTRVAEQGEIKGPALLTPIQHWFFDQRYPDLHHYNQAVMLYWKEGLNVPMLREVMRKIVEHHDALRMVYVPAKHGYEARNREIDEGDLFSLEVFSLLEENNVAQTIETLSNEIQQSIQLAEGPLIKLGLFQCQDGDHLLIVAHHLVIDGVSWRILIEDIAAAYEQLLNGEAIQLPKKTDSYLLWAEQLKRYAESPEFEMKNQYWFQHEHIPLPKLPKDNEQEIGLAEDRETIIVQWTAEETERLLKNAHRAYTTEMNDLLLTGLGIAIHRWTGHEDILIHLEGHGRESIIPDLDISRTVGWFTSQYPVFLPIKADHDISQRIKTVKEHLRKIPQKGIGYGIIKYLSDHREDREFTGQPEISFNFLGQFDQDLQNGSIEVSPYSSGKIASDKHPLTYALDINGMISNGRLSLAISYCGKQYHKETMETCADLLKSSLRQVIEHCTAQDQVQLTPSDISLKEISIDELDQFVQQAQHLGEIENIYPLTPMQKGMLFHSLIDSASGAYFEQAAFDLKGLLDIEAFMMSLSQLAKRYDILRTQFYTEWKEQPLQIVLRHKPIETVVEDIRDMNVDQRSEFIAAFARKDKERGFNLIRDALMRVSILRTDEEKARLIWSFHHILMDGWCLPLITKEVFETYYAIIERRQPKRDAVTPYRQYIEWLDEQDHEQAAVYWRDYLDDYEGQTVLLKEPFSDQARGYQKQKLACRLGKQLTEEIKRAASQHHVTVNTWMQTAWGLLLQRYNGTQDVVFGTVVSGRPADIPGIESMVGLFINTIPVRVCAQPEMTVAQVLKMNQEHALASQPYDTFPLYEIQAQTEQKQQLINHIMVFENYPVEKQMEHMKRDHDVLDISDFHLEEHTHYDFNFIVMPAEDMEMHFVYNANVYDQATVERIQAHFMEIIKQMVNDTAVHVQELDILSEDERSLLIEKFNDTATEYPKEKTIYQLFEEQAARTPEQIAIVFEDQKLTYRQLNEQANQLARTLRAKGVRSDRTAAIISDHSIELVVGILAVLKAGGAYVPIDPDYPEQRIQYILNDSKTEIVLTQSHLQQRLA-HEGTIVLLDDE----NSYHKERSNLERISNIKDLAYVIYTSGSTGKPKGVLIEHQGLTNYIWWADRVYVKGEKTTFPLYSSIAFDLTVTSIFTPLISGNAIIVYGDKDRTTLLSSI--IEDSRVDIIKLTPAHLQLLK----EMNISPECTIRKMIVGGDNLSTRLAQNISEQFQDQIEIFNEYGPTETVVGCMIY----LYDPKKDRQESVPIGTA-AANMNIYLLDTGMKPVPIGVPGEMYISGAGVARGYLNRPDLTAEKFVEHPFAAGERMYKTGDAARWMPDGHMEYLGRIDHQVKVRGYRIELGEVEAALLLVESVKEAVVIAVEEEGSNQLCAYV---TGDESLKTLQLKQQLQNKLPAYMIPAYFVQIEEMPLTANGKIDREALPAPDGNMLAGTEYAAPRTLIEKQLAEIWKEVLAHSELGIKDNFFDVGGHSLKVLQLVDQINKVMGIKLHYHVVYEAPTIETMAHAIQAAALPSKTENVFVKLNQNGSIPVFCFPPLIGYGLVYNEMANRLDGDCVVYAADFTEDPSYKKPIIDRFAESMIDIQEQGPFVLLGYSSGSNLAFEVAKALEQRGRTVSDVIMLDSQITTSVTHLSEKEVEEIIHLNLDIIPVYYRELLTIPSIKEKIRGYLAYHNQLINSGTINANIHHLLCDDMTERGWTHSTAHNYKEYELKGDHVTIFDPQYIEENMSTIRSIMKCIEEQQLGELVPHEQLSYMSRTKSDRT 4D57 Chain:A ((29-516)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KQSIHQLFETQVERTPEAVAVLSEQGQLTYEELNTKANQLAHYLRTLGVKSETLVGVCVDRSLEMVIGLLAILKAGGAYVPLDPTYPRERLTYMVQDAQISVLVTQTQWSNLISDYQGQVICLDSQWAKIASYSQE--NLVNTVNPENLAYVIYTSGSTGKPKGVMIEHQSLVNFTKLAIAQYQITTSDRTLQFVSISFDVAAEEIYVTLCSGATLILRTEEMISSIPSFVQKSQDWQITVWSLPTAYWHLLVNELVKSKIALPDSLRLVIIGGERVQPELVRMWFKNVGNFPELINVYGPTEGTIAVSLCRLSQLTESQRNRTE-IPIGKSLGENISVYVLDETLKTVPPETPGEIYIGGTALARGYLNRPELTAQKFIQDPFSPSERLYKTGDLGRYLADGNLEYLGRVDHQVKINGFRVELGEIETVLLQHHQVAQAVVIDR------RLVAYLVPHSTEENL-TVTLQQFLKNKLPSYMIPATFVVL----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4D57.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 : 2676 -315975 -118.08 -683.93 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.57 3D Compatibility (PKB) : -118.08 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.57 QMean score : 0.545

(partial model without unconserved sides chains): PDB file : Tito_4D57.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4D57-query.scw PDB file : Tito_Scwrl_4D57.pdb: