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. 2021 Sep 16;413(29):7241–7249. doi: 10.1007/s00216-021-03649-1

Table 3.

Tryptic + GluC peptide ions detected for spike protein from lab grown specimen, their sequences and location

m/z (mono.)
experimental
m/z (mono.)
theoretical
Difference (ppm) Residuesa Sequence Domainb
846.4690 846.4680 + 1.2 1020–1028 ASANLAATK S2 undefined
1045.4650 1045.4659 − 0.9 390–398 LCFTNVYAD S1 subunit receptor-binding domain (RBD)
1139.6001 1139.5996 + 0.4 559–567 FLPFQQFGR S1 undefined
1206.6671 1206.6663 + 0.7 517–528 LLHAPATVCGPK S1 subunit receptor-binding domain (RBD)—partial
1234.5052 1234.5045 + 0.6 159–169 VYSSANNCTFE S1 subunit N-terminal domain (NTD)
1290.6985 1290.6974 + 0.7 726–737 (1) ILPVSMTKTSVD S2 undefined
1495.7545 1495.7540 + 0.3 22–34 TQLPPAYTNSFTR S1 subunit N-terminal domain (NTD)
1576.7071 1576.7060 + 0.7 647–661 AGCLIGAEHVNNSYE S1 subunit C-terminal domain (CTD)
1727.8529 1727.8520 + 0.5 686–702 SVASQSIIAYTMSLGAE S2 subunit N-terminus at furin cleavage site
1743.8478 1743.8469 + 0.5 686–702 (+O) SVASQSIIAYTMSLGAE S2 subunit N-terminus at furin cleavage site
1801.9139 1801.9133 + 0.3 341–355 (1) VFNATRFASVYAWNR S1 subunit receptor-binding domain (RBD)
1976.9871 1976.9858 + 0.7 664–682 IPIGAGICASYQTQTNSPR S1 subunit C-terminus at furin cleavage site
2396.3092 2396.3080 + 0.5 1–21 (+O) MFVFLVLLPLVSSQCVNLTTR S1 subunit N-terminal domain (NTD)
2443.1995 2443.1987 + 0.3 703–725 NSVAYSNNSIAIPTNFTISVTTE Undefined
3044.6021 3044.6011 + 0.3 951–979 (1) VVNQNAQALNTLVKQLSSNFGAISSVLND HR1 domain—partial
3209.6026 3209.6035 − 0.3 584–614 (1) ILDITPCSFGGVSVITPGTNTSNQVAVLYQD S1 subunit receptor-binding domain (RBD)—partial
3328.6968 3328.6981 − 0.4 703–733 (+O) (1) NSVAYSNNSIAIPTNFTISVTTEILPVSMTK Undefined

aBased on NCBI protein sequence QHD43416.1 where residues denoted (+O) are associated with an oxidized methionine residues and those with a (1) containing one missed cleavage site; all others contain no missed cleavage sites. Bolded entries represent regions that allow variants to be distinguished as identified in Table 2

bAs defined in UniPro knowledge base (uniprokb) at https://covid-19.uniprot.org/uniprotkb/ and ref. Acta Pharmacologica Sinica