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Protein prediction doesn’t match #7

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skr3178 opened this issue Dec 19, 2022 · 0 comments
Open

Protein prediction doesn’t match #7

skr3178 opened this issue Dec 19, 2022 · 0 comments

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@skr3178
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skr3178 commented Dec 19, 2022

I am trying to create a structure from the amino acid sequence using the tool.

Running this code gives me a somewhat linear feature space with little off diagonal elements. The predicted protein shape isn’t close to the one in the protein data bank.

seq = "MRYRLAWLLHSALPSTFRSVLGARLPPSERLCGFQKKTYSKMNNPAIKRIGHHIIKSHEDKREYRGLELANGIKVLLVSDPTTDKSSAALDVHIGSLSDPPNIAGLSHFCEHMLFLGTKKYPKENEYSQFLSEHAGSSNAFTSGEHTNYYFDVSHEHLEGALDRFAQFFLCPLFDESCKDREVNAVDSEHEKNVMNDAWRLFQLEKATGNPKHPFSKFGTGNKYTLETRPNQEGIDVRQELLKFHSTYYSSNLMAICVLGRESLDDLTNLVVKLFSEVENKNVPLPEFPEHPFQEEHLKQLYKIVPIKDIRNLYVTFPIPDLQKYYKSNPGHYLGHLIGHEGPGSLLSELKSKGWVNTLVGGQKEGARGFMFFIINVDLTEEGLLHVEDIILHMFQYIQKLRAEGPQEWVFQECKDLNAVAFRFKDKERPRGYTSKIAGILHYYPLEEVLTAEYLLEEFRPDLIEMVLDKLRPENVRVAIVSKSFEGKTDRTEEWYGTQYKQEAIPDEVIKKWQNADLNGKFKLPMKNEFIPTNFEILSLEKEATPYPSLIKDTAMSKLWFKQDDKFFLPKACLNFEFFSPFAYVDPLHCNMAYLYLELLKDSLNEYAYAAELAGLSYDLQNTIYGMYLSVKGYNDKQPILLKKIIEKMATFEIDEKRFEIIKEAYMRSLNNFRAEQPHQHAMYYLRLLMTEVAWTKDELKEALDDVTLPRLKAFIPQLLSRLHIEALLHGNITKQAALGIMQMVEDTLIEHAHTKPLLPSQLVRYREVQLPDRGWFVYQQRNEVHNNCGIEIYYQTDMQSTSENMFLELFCQIISEPCFNTLRTKEQLGYIVFSGPRRANGIQGLRFIIQSEKPPHYLESRVEAFLITMEKSIEDMTEEAFQKHIQALAIRRLDKPKKLSAECAKYWGEIISQQYNFDRDNIEVAYLKTLTKEDIIKFYKEMLAVDAPRRHKVSVHVLA" _seq = np.eye(20)[AA_to_N(seq)] preds = model.predict({"I":_seq[None,None]}) plot_feat(preds["feat"]) get_pdb(preds,"random.pdb")

4TrDesign_GD_demo ipynb - Colaboratory

Actual shape
https://www.uniprot.org/uniprotkb/Q24K02/feature-viewer

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