kras

README.md

@@ -61,7 +61,7 @@ Column descriptions of each protein entry in `relaxdb/relaxdb_data.csv`:
 - `curation_source`: data source for experimental data
 - `sequence`: protein sequence
 - `label`: residue-level annotations aligned to the sequence
-
+- `assignments`: source of assignments if not from original source
 ... and others!
 
 ## Labels

relaxdb/relaxdb_data.csv

@@ -141,4 +141,4 @@ BLAC_CPMG,relaxdb-cpmg,relaxdb/af2_pdbs/CPMG_pdbs/BLAC_CPMG.pdb,BLAC,P9WKD3,Rex
 RNASE_CPMG,relaxdb-cpmg,relaxdb/af2_pdbs/CPMG_pdbs/RNASE_CPMG.pdb,RNase A,P61824,Labels were taken from residues with >3 Hz at ...,KETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV,AAAAAAAAXAXAXAXXXAAXAXAAAAXAAXAXAXXAAAAAXPAXAXXAAAAAAAAAAAXXAAAXAXAXAAXAAAAAAAAAAAXXAAXAAAAAPAAAAAAXXAAAAAAAAAAAAPAAPAXAXAAA,R2eff / vCPMG for residues with Rex > 3/s,,[],,False,,"{'NOE_err': [], 'R1_err': [], 'R2_err': []}",,,,RNASE_CPMG
 CHEY_CPMG,relaxdb-cpmg,relaxdb/af2_pdbs/CPMG_pdbs/CHEY_CPMG.pdb,CheY,P0AE67,"Figure 2 (missing peaks labels), Table 2 (Rex ...",MADKELKFLVVDDFSTMRRIVRNLLKELGFNNVEEAEDGVDALNKLQAGGYGFVISDWNMPNMDGLELLKTIRADGAMSALPVLMVTAEAKKENIIAAAQAGASGYVVKPFTAATLEEKLNKIFEKLGM,.AAAAAAAAAAA....AXXAAAAAAAAAAAAAAAAXAX.AAAAAAAAAAAAAAAAAA...PXAX.AXXXAAAAAAAAAAAAPAAAAXAA.A.AXAAAAAAAAAAAAXAAPAAAAAAAAAAAAAAAAXAA,labels in table,,[],,False,,"{'NOE_err': [], 'R1_err': [], 'R2_err': []}",,,,CHEY_CPMG
 HTPDZ_CPMG,relaxdb-cpmg,relaxdb/af2_pdbs/CPMG_pdbs/HTPDZ_CPMG.pdb,"Serine protease HTRA2, mitochondrial",O43464,"Cross-referenced source data, assns in BMRB 51...",SGISGSQRRYIGVMMLTLSPSILAELQLREPSFPDVQHGVLIHKVILGSPAHRAGLRPGDVILAIGEQMVQNAEDVYEAVRTQSQLAVQIRRGRETLTLYVTPEVTELE,..ANAAXAXX........XP...AAXXA.XPXXPX.NXX.X...XXAXAPAAAAAAAP.XXAXAAX.AA.X..XXXX.XAAAA.AAAAAAXNXAXXXAAAAAPXXAAAN,Rex values,,[],,False,,"{'NOE_err': [], 'R1_err': [], 'R2_err': []}",,,,HTPDZ_CPMG
-KRAS_CPMG,relaxdb-cpmg,relaxdb/af2_pdbs/CPMG_pdbs/KRAS_CPMG.pdb,,,,MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK,AAAAAXAXXAXXXXAXXAAXXAXAAXAAXXXNXPYXXXXXAAXAXAXAAAXXAXNXXXXXXXX.NXXXXXXNXXXAAAXAAAAAAANAAAAXXAXAXXAAXXXAAAAAAPAXAAANAAAAPAAAAAAAAAAAAAAAAAAPAAAXAAAAXAAAAAAAAAAAAAAAAAAAA,R2eff / vCPMG,,[],,False,,"{'NOE_err': [], 'R1_err': [], 'R2_err': []}",,,,KRAS_CPMG
+KRAS_CPMG,relaxdb-cpmg,relaxdb/af2_pdbs/CPMG_pdbs/KRAS_CPMG.pdb,KRAS,,,MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLCVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLVREIRKHKEK,AAAAAXAXXAXXXXAXXAAXXAXAAXAAXXXNXPYXXXXXAAXAXAXAAAXXAXNXXXXXXXX.NXXXXXXNXXXAAAXAAAAAAANAAAAXXAXAXXAAXXXAAAAAAPAXAAANAAAAPAAAAAAAAAAAAAAAAAAPAAAXAAAAXAAAAAAAAAAAAAAAAAAAA,R2eff / vCPMG,,[],,False,,"{'NOE_err': [], 'R1_err': [], 'R2_err': []}",,,,KRAS_CPMG