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Supplementary Table S2: List of mono-links and loop-links determined by chemical
derivatization and mass spectrometry.
Monolink/ Looplink
Peptide
Mass Error (ppm)
xQuest Score
InvG
K38
K134
K244
K244-K259
K545
IPVTGSGFVAKDDSLR
SGLYNKNYPLR
GKAANYAGGMSLQEALK
GKAANYAGGMSLQEALK
QSGAWSGDDKLQK
0.6
1.0
0.7
0.5
0.6
21.9
18.1
34.2
18.2
15.6
PrgH
N-K7
K5
K7
K132-K133
K133
K192
K218
K230
K255
K269-K270
K270
K278
K278
K278
METSKEK
METSKEK
EKTITSPGPYIVR
LETSAKKNEPR
LETSAKKNEPR
DKMLYVAAQNER
GDYDKNAR
VINENEENKR
KPVFWLSR
NTMSKKELEVLSQK
KELEVLSQK
ELEVLSQKLR
KELEVLSQK
KELEVLSQKLR
1.2
1.3
1.2
0.8
1.3
0.8
1.5
0.7
0.9
0.1
0.5
1.6
0.5
0.9
18.7
17.2
30.1
18.5
16.5
26.0
31.3
19.5
31.7
20.7
31.0
20.6
16.7
19.5
NKKGITADDK
KGITADDK
KGITADDKAK
KGITADDKAK
KGITADDK
GITADDKAK
GITADDKAKSSNE
GITADDKAKSSNE
GITADDKAKSSNE
1.3
1.6
1.1
1.6
2.0
2.0
0.9
2.3
0.7
31.7
33.3
21.6
23.5
23.6
26.1
26.8
25.3
23.5
PrgK
K238-K239
K239
K239
K239-K248
K246
K246
K246
K246-K248
K248
In order to specify all lysines being accessible for derivatization, hetero-cross-links (cross-link
between two different proteins, see Table 1), mono-links (modified peptides that reacted with
only one functional group of the bivalent cross-linker (BS2G (0/d4))) and loop-links (crosslinks within one polypeptide chain or between homo-proteins) were determined.
Only peptides with an xQuest score of higher than 15 are displayed as those cross-linking
results are likely to be reliable (see Supplementary Protocol). The respective modified amino
1
acid is displayed in bold.
Under “Monolink/Looplink” listed positions are the absolute
positions of the respective protein (including signal peptides), “Error” the deviation of
measured precursor ion mass from theoretical precursor ion mass in parts per million, and
“Score” the xQuest score.
2
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