Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSEFKQQELFWSNMFDAEDRLIAFPSFHMSDSALEHDALNTSNSIHTSLRSDVSLRIMTMAIIPMAVYLVLLVGIKCLLHKYTGEESIIVGVPTFEDETDEDLRLDQIMLLKQNINENSTFKSIFNEFKHTLNDAILHQDVPFDKMVGPLNLNYNSNHLPMIPAIVSLDQIHLIHFKETAASDTLFQFDIKNDAIHLKVTYNEQAYDRQYMMQVIEHLNRLFSIILFQPDITISQLNILTDTEINTFKDYNQTAAEYPREKTIHQLFEEQANRTPDQVAVVYEENQLTYQELNEKANQIARTLQSEGVHPDQPVGIMAERSLEMIVGLFGILKAGGAYVPIDPTYPEERIRYILEDSDTKLLLVQHHLREKVPFTGKVLDMEDPQTFSEDGSNLESISGPNQLAYVIYTSGSTGKPKGVMVEHRSVINRLVWMQENYPLDERDAILQKTAITFDVSVWELFWWSIVGSKVVLLPNGGEKNPELILDTIEQKGVSTLHFVPAMLHAFLESMEQTPSGKLKRKLASLRYVFASGEALTPKHVDGFQRIITPVSHAQIINLYGPTEATIDVSYFECEADKRYNSVPIGKPISNIQLYIL-QAGYMQPVGVAGELCIAGDGLARGYLNRPELTAEKFVKNPFSAGERMYRTGDLARWLPDGNIEYLGRIDHQVKIRGYRIETGEVEAALFHIPSIQESIVLAQE-INEEISLCAYYTANDTLTAGELREHLSRQLPSYMIPAYFIQLKRMPLTLNGKIDRRALPSPREN-LTGMDYTAPRTELEKILAATWESVLGLERVGVSDHFFELGGDSIKSIQVSSRLYQAGYKFEIKHLFKYPTISELVPYVEPVTRVAEQGEIKGPALLTPIQHWFFDQRYPDLHHYNQAVMLYWKEGLNVPMLREVMRKIVEHHDALRMVYVPAKHGYEARNREIDEGDLFSLEVFSLLEENNVAQTIETLSNEIQQSIQLAEGPLIKLGLFQCQDGDHLLIVAHHLVIDGVSWRILIEDIAAAYEQLLNGEAIQLPKKTDSYLLWAEQLKRYAESPEFEMKNQYWFQHEHIPLPKLPKDNEQEIGLAEDRETIIVQWTAEETERLLKNAHRAYTTEMNDLLLTGLGIAIHRWTGHEDILIHLEGHGRESIIPDLDISRTVGWFTSQYPVFLPIKADHDISQRIKTVKEHLRKIPQKGIGYGIIKYLSDHREDREFTGQPEISFNFLGQFDQDLQNGSIEVSPYSSGKIASDKHPLTYALDINGMISNGRLSLAISYCGKQYHKETMETCADLLKSSLRQVIEHCTAQDQVQLTPSDISLKEISIDELDQFVQQAQHLGEIENIYPLTPMQKGMLFHSLIDSASGAYFEQAAFDLKGLLDIEAFMMSLSQLAKRYDILRTQFYTEWKEQPLQIVLRHKPIETVVEDIRDMNVDQRSEFIAAFARKDKERGFNLIRDALMRVSILRTDEEKARLIWSFHHILMDGWCLPLITKEVFETYYAIIERRQPKRDAVTPYRQYIEWLDEQDHEQAAVYWRDYLDDYEGQTVLLKEPFSDQARGYQKQKLACRLGKQLTEEIKRAASQHHVTVNTWMQTAWGLLLQRYNGTQDVVFGTVVSGRPADIPGIESMVGLFINTIPVRVCAQPEMTVAQVLKMNQEHALASQPYDTFPLYEIQAQTEQKQQLINHIMVFENYPVEKQMEHMKRDHDVLDISDFHLEEHTHYDFNFIVMPAEDMEMHFVYNANVYDQATVERIQAHFMEIIKQMVNDTAVHVQELDILSEDERSLLIEKFNDTATEYPKEKTIYQLFEEQAARTPEQIAIVFEDQKLTYRQLNEQANQLARTLRAKGVRSDRTAAIISDHSIELVVGILAVLKAGGAYVPIDPDYPEQRIQYILNDSKTEIVLTQSHLQQRLAHEGTIVLLDDENSYHKERSNLERISNIKDLAYVIYTSGSTGKPKGVLIEHQGLTNYIWWADRVYVKGEKTTFPLYSSIAFDLTVTSIFTPLISGNAIIVYGDKDRTTLLSSIIEDSRVDIIKLTPAHLQLLKEMNISPECTIRKMIVGGDNLSTRLAQNISEQFQDQIEIFNEYGPTETVVGCMIYLYDPKKDRQESVPIGTAAANMNIYLLDTGMKPVPIGVPGEMYISGAGVARGYLNRPDLTAEKFVEHPFAAGERMYKTGDAARWMPDGHMEYLGRIDHQVKVRGYRIELGEVEAALLLVESVKEAVVIAVEEEGSNQLCAYVTGDESLKTLQLKQQLQNKLPAYMIPAYFVQIEEMPLTANGKIDREALPAPDGNMLAGTEYAAPRTLIEKQLAEIWKEVLAHSELGIKDNFFDVGGHSLKVLQLVDQINKVMGIKLHYHVVYEAPTIETMAHAIQAAALPSKTENVFVKLNQNGSIPVFCFPPLIGYGLVYNEMANRLDGDCVVYAADFTEDPSYKKPIIDRFAESMIDIQEQGPFVLLGYSSGSNLAFEVAKALEQRGRTVSDVIMLDSQITTSVTHLSEKEVEEIIHLNLDIIPVYYRELLTIPSIKEKIRGYLAYHNQLINSGTINANIHHLLCDDMTERGWTHSTAHNYKEYELKGDHVTIFDPQYIEENMSTIRSIMKCIEEQQLGELVPHEQLSYMSRTKSDRT 5ES9 Chain:A ((197-760)) --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------GEKPIDKTFHQLFEQQVEMTPDHVAVVDRGQSLTYKQLNERANQLAHHLRGKGVKPDDQVAIMLDKSLDMIVSILAVMKAGGAYVPIDPDYPGERIAYMLADSSAAILLTNALHEEKANGACDIIDVHDPDSYSENTNNLPHVNRPDDLVYVMYTS----LAKGVMIEHHNLVNFCEWYRPYFGVTPADKALVYSSFSFDGSALDIFTHLLAGAALHIVPSERKYDLDALNDYCNQEGITISYLPTGAAEQFMQMDNQ-----------SFRVVITGGDVLKKIERNGTYK---------LYNGYGPTECTIMVTMFEV--DKPYANIPIGKPIDRTRILILDEALALQPIGVAGELFIVGEGLGRGYLNRPELTAEKFIVHP-QTGERMYRTGDRARFLPDGNIEFLGRLDNLVKIRGYRIEPGEIEPFLMNHPLIELTTVLAKEQADGRKYLVGYYVAPEEIPHGELREWLGNDLPDYMIPTYFVHMKAFPLTANGKVDRRALPDVQADA------VAPTDELEQQLAQVWSHVLGIPQMGIDDHFLERGGDSIKVMQLIHQLKNIGLSLRYDQLFTHPTIRQL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5ES9.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 : 3018 -317233 -105.11 -576.79 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -105.11 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.502

(partial model without unconserved sides chains): PDB file : Tito_5ES9.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5ES9-query.scw PDB file : Tito_Scwrl_5ES9.pdb: