Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MLDKNQLAKYKQDHLCEYEKIMSNNEKEALEEKVASLDLDFIAKLYNDLYINKKTIDDVSAVSEVKYDIKSQMSDDEIKRLEEQGLQAIKEGQFAVLLMAGGQGTRLGYKGPKGSFEI---EGVSLFELQANQLKTLNHQSG-------HTIQWYIMTSDINHEETLAYFEAHSYFGYDQEAIHFFKQDNIVALSEEGKLILNQQGRIMETPNGNGGVFKSLDKAGYLEEMSNNGVKYIFLNNIDNVLVKVLDPLFAGFTVEHDYDITSKTIQPK-PGESVGRLVNVDCKDTVLEYSELDPEVAN-------QFNNANIGIHAFKLGFILNAVNRELPYHLAIKNLKQLDENFGVIE---QPT-LKFELFYFDIFTYGTSFVTLQVPREEEFSPLKNKEGKD--SVATATEDLRRMGLI |
3OC9 Chain:A ((19-360)) | ----------------------------------------------------------------------------VTKEHYYRGLELISQGKTALITPAGGQGSRLGFEHPKGMFVLPFEIPKSIFQMTSERLLRLQELASEYSHQKNVMIHWFLMTNEETIEEINNYFKEHQYFGLSSEQIHCFPQGMLPVVDFNGKILYEKKDKPYMAPNGHGGLFKALKDNGILEFMNEKGIKYSVAHNVDNILCKDVDPNMIGYMDLLQSEICIKIVKKGFKEEKVGVLVKEQERIKVVEYTELTDELNKQLSNGEFIYNCGHISINGYSTSFLEKAAEYQLPYHIAKKKVPFVNE-QGIVIHPSENNGIKKEIFFFDVFPLATKVSIFEIQRFIEFSALKNSLNESFDNVNTVKRDWYRLNIY |
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General information:
TITO was launched using:
| RESULT:
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Template: 3OC9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -130666 for 2343 contacts (-55.8/contact) +
2D Compatibility (PS) -34978 + (NN) -15860 + (LL) 5668
1D Compatibility (HY) -25600 + (ID) 5400
Total energy: -206836.0 ( -88.28 by residue)
QMean score : 0.445
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