Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRYFLVVFLFLFVGCMKKDFTLKDLSLPQEASSYLASSQNSSHNNQSIDPQALRENLKESYLKAWYSPWLDAKVKSNKKEVFWILKEMNKSTGYGEDLKPNAKAFNDELIKNMDIERYPSTKIKAVVVRNNDVRAVPTNKPYYLSPKGYPFDRFQNSLVFPGTPVLITPFNPDKTYPPLQSSFVYGWIKVSELAYMRDKEIELLTKLKNYDMPIKEKNPLYTDYGEFYPHAKIGELFPLIPQIQNASQIPPKKELKAYGFLKDAKGYAALQSVFLDEKDFFVFPKAFTSEIMAYFINTMLGQKYGWGGLLGNRDCSAFTRDSFANFGILLPRNSYAQSRYANNYVDLSSMKAKEKEDYIIKNATPFGTLIYLKGHIMLYLGERNHQAIVA----HSIWSVQTQKHFKTLSHKIGGVVITSLWLAEEHNGAFSKKKLLIDRVLGMSDLKDFVHKTSSPLNAN |
4BQQ Chain:A ((26-395)) | MDTYAGAYDRQSRE----------------------RSAASPATQRSANEDKAADLQREVERDGGRFRFVGHFSEAPGAE------------------RPEFERILNECRAG---------RLNMIIVYD--------------------VSRF-------SRLKVMDAIPIVSELLALGVTIVSTQEGVFRQGNVMDLIHLIMRLDASHKESSLKSAKILD---TKNLQRELGGY---------------VGGKAPYGFELVSETKEITR---NGRMVNVVINKLAHSTT---------------PLTGPFEFEPDVIRWWWREIKTHKPGSITGLCKRMDADAVPTRGWDPATVMRILRDPRIAGFAAEVIYKKKPDGTPTTKIEGYRIQRDPITLRPVELDCGPIIEPAEWYELQAWLDGRGRGKGLSRGQAILSAMDKLYCECGAV----------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 4BQQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -12188 for 2382 contacts (-5.1/contact) +
2D Compatibility (PS) -34682 + (NN) 2083 + (LL) 6568
1D Compatibility (HY) 10400 + (ID) 1450
Total energy: -29269.0 ( -12.29 by residue)
QMean score : 0.120
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