Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRYFLVVFLFLFVGCMKKDFTLKDLSLPQEASSYLASSQNSSHNNQSIDPQALRENLKESYLKAWYSPWLDAKVKSNKKEVFWILKEMNKSTGYGEDLKPNAKAFNDELIKNMDIERYPSTKIKAVVVRNNDVRAVPTNKPYYLSPKGYPFDRFQNSLVFPGTPVLITPFNPDKTYPPLQS--SFVYGWIKVSELAYMRDKEIELLTKLKNYDMPIKEKNPLYTDYGEFYPHAKIGELFPLIPQIQNASQIPPKKELKAYGFLKDAKGYAALQSVFLDEKDFFVFPKAFTSEIMAYFINTMLGQKYGWGGLLGNRDCSAFTRDSFANFGILLPRNSYAQSRYANNYVDLSSMKAKEKEDYIIKNATPFGTLIYLKGHIMLYLGERNHQAIVAHSIWSVQTQKHFKTLSHKIGGVVITSLWLAEEHNGAFSKKKLLIDRVLGMSDLKDFVHKTSSPLNAN |
2HBW Chain:A ((17-80)) | ---------------------------------------------------------------------------------------------------------------------------EYQCLAALNLYDSPECTS-------------LATQAAVGRHLQVTSNQ-QGAAVEVCLCEDDYPGWLSLGDLGLLKPATVLYQAKSFSESEIKKLLPGAIAFTQKAMQQSNYYLWGGTVGPNYDCSGLMQAAFVSVGIWLPRDAYQQEAFTQAITIDELAPGDLVFFGTPVKATHVGLYLGDGCYIHSSGKAQGRDGIGIDILSEQGDVVSRSYYQQLRGAGRVVKSYKPQRH------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2HBW.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -3565 for 425 contacts (-8.4/contact) +
2D Compatibility (PS) -6654 + (NN) -1490 + (LL) 15656
1D Compatibility (HY) -1200 + (ID) 300
Total energy: 2447.0 ( 5.76 by residue)
QMean score : 0.271
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