Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MRYFLVVFLFLFVGCMKKDFTLKDLSLPQEASSYLASSQNSSHNNQSIDPQALRENLKESYLKAWYSPWLDAKVKSNKKEVFWILKEMNKSTGYGEDLKPNAKAFNDELIKNMDIERYPSTKIKAVVVRNNDVRAVPTNKPYYLSPKGYPFDRFQNSLVFPGTPVLITPFNPDKTYPPLQSSFVYGWIKVSELAYMRDKEIELLTKLKNYDMPIKEKNPLYTDY---GEFYPHAKIGELFPLIPQIQNASQIPPKKELKAYGFLKDAKGYAALQSVFLDEKDF-----------FVFPKAFTSEIMAYFINTMLGQKYGWGGLL-GNRDCSAFTRDSFANFGILLPRNSYAQSRYANNYVDLSSMKAKEKEDYIIKNATPFGTLIYLK-----GHIMLYLGERNHQAIVAHSI----WSVQTQKHF--------K-TLSHKIGGVVITSLWLAEEHNGAFSKKKLLIDRVLGMSDLKDFVHKTSSPLNAN |
2HBW Chain:A ((15-230)) | ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SG------------EYQCLAALNLYDSPECTS-LATQAAVGRHLQVTSN--QQ-----GAAVEVCLCEDDYPGWLSLGDLGLLKPATVLYQAKSFSESEIKKLLPGAIAFTQKAMQQ-SNYYLWGGTVGPNYDCSGLMQAAFVSVGIWLPRDAYQQEAFT-QAITIDELAPGD--------------LVFFGTPVKATHVGLYLGD--GCYIHSSGKAQGRDGIGIDILSEQGDVVSRSYY-QQLRGAGRVVKSYKPQRH---------------------------------- |
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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) 36702 for 1616 contacts (22.7/contact) +
2D Compatibility (PS) -18453 + (NN) 7767 + (LL) 16544
1D Compatibility (HY) -7200 + (ID) 1600
Total energy: 33760.0 ( 20.89 by residue)
QMean score : 0.240
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