Details
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Type: Improvement
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Status: In Progress
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Priority: Major
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Resolution: Unresolved
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Affects Version/s: 2.11.3.0
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Fix Version/s: 2.11.4
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Component/s: Structures
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Labels:None
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Epic Link:
Description
Any structure with 'pLDDT' model quality score should get alphafold2-style shaded alphafold reliability annotation tracks via JAL-3895, and be ranked along side other alphafold2 scored sources.
See for example
>EPAS1_HUMAN/1-870 Endothelial PAS domain-containing protein 1
MTADKEKKRSSSERRKEKSRDAARCRRSKETEVFYELAHELPLPHSVSSHLDKASIMRLAISFLRTHKLLSS
VCSENESEAEADQQMDNLYLKALEGFIAVVTQDGDMIFLSENISKFMGLTQVELTGHSIFDFTHPCDHEEIR
ENLSLKNGSGFGKKSKDMSTERDFFMRMKCTVTNRGRTVNLKSATWKVLHCTGQVKVYNNCPPHNSLCGYKE
PLLSCLIIMCEPIQHPSHMDIPLDSKTFLSRHSMDMKFTYCDDRITELIGYHPEELLGRSAYEFYHALDSEN
MTKSHQNLCTKGQVVSGQYRMLAKHGGYVWLETQGTVIYNPRNLQPQCIMCVNYVLSEIEKNDVVFSMDQTE
SLFKPHLMAMNSIFDSSGKGAVSEKSNFLFTKLKEEPEELAQLAPTPGDAIISLDFGNQNFEESSAYGKAIL
PPSQPWATELRSHSTQSEAGSLPAFTVPQAAAPGSTTPSATSSSSSCSTPNSPEDYYTSLDNDLKIEVIEKL
FAMDTEAKDQCSTQTDFNELDLETLAPYIPMDGEDFQLSPICPEERLLAENPQSTPQHCFSAMTNIFQPLAP
VAPHSPFLLDKFQQQLESKKTEPEHRPMSSIFFDAGSKASLPPCCGQASTPLSSMGGRSNTQWPPDPPLHFG
PTKWAVGDQRTEFLGAAPLG-----PPVSPPHVSTFKTRSAKGFGARGPDVLSPAMVALSNKLKLKRQLEYE
EQAFQDLSGGDPPGGSTSHLMWKRMKNLRGGSCPLMPDKPLSANVPNDKFTQNPMRGLGHPLRHLPLPQPPS
AISPGENSKSRFPPQCYATQYQDYSLSSAHKVSGMASRLLGPSFESYLLPELTRYDCEVNVPVLGSSTLLQG
GDLLRALDQAT
3d-beacons now has a Levylab source providing oligomeric alphafold based structures - these should be ranked in the same way as alphafold and imported with alphafold quality scores.
See for example
>EPAS1_HUMAN/1-870 Endothelial PAS domain-containing protein 1
MTADKEKKRSSSERRKEKSRDAARCRRSKETEVFYELAHELPLPHSVSSHLDKASIMRLAISFLRTHKLLSS
VCSENESEAEADQQMDNLYLKALEGFIAVVTQDGDMIFLSENISKFMGLTQVELTGHSIFDFTHPCDHEEIR
ENLSLKNGSGFGKKSKDMSTERDFFMRMKCTVTNRGRTVNLKSATWKVLHCTGQVKVYNNCPPHNSLCGYKE
PLLSCLIIMCEPIQHPSHMDIPLDSKTFLSRHSMDMKFTYCDDRITELIGYHPEELLGRSAYEFYHALDSEN
MTKSHQNLCTKGQVVSGQYRMLAKHGGYVWLETQGTVIYNPRNLQPQCIMCVNYVLSEIEKNDVVFSMDQTE
SLFKPHLMAMNSIFDSSGKGAVSEKSNFLFTKLKEEPEELAQLAPTPGDAIISLDFGNQNFEESSAYGKAIL
PPSQPWATELRSHSTQSEAGSLPAFTVPQAAAPGSTTPSATSSSSSCSTPNSPEDYYTSLDNDLKIEVIEKL
FAMDTEAKDQCSTQTDFNELDLETLAPYIPMDGEDFQLSPICPEERLLAENPQSTPQHCFSAMTNIFQPLAP
VAPHSPFLLDKFQQQLESKKTEPEHRPMSSIFFDAGSKASLPPCCGQASTPLSSMGGRSNTQWPPDPPLHFG
PTKWAVGDQRTEFLGAAPLG-----PPVSPPHVSTFKTRSAKGFGARGPDVLSPAMVALSNKLKLKRQLEYE
EQAFQDLSGGDPPGGSTSHLMWKRMKNLRGGSCPLMPDKPLSANVPNDKFTQNPMRGLGHPLRHLPLPQPPS
AISPGENSKSRFPPQCYATQYQDYSLSSAHKVSGMASRLLGPSFESYLLPELTRYDCEVNVPVLGSSTLLQG
GDLLRALDQAT
3d-beacons now has a Levylab source providing oligomeric alphafold based structures - these should be ranked in the same way as alphafold and imported with alphafold quality scores.
Attachments
Issue Links
- blocks
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JAL-3914 Import model reliability scores encoded as temperature factor annotation with their correct name and semantics
- In Progress
- related with
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JAL-4123 Configure how temperature factor column should be interpreted when loading a 3D structure for a sequence
- In Progress
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JAL-4410 Recognise and map multimeric models from swissmodel via 3d-beacons
- Open
- mentioned on