Supplementary Data - Bioinformatics

Supplementary Data

Average Monosaccharide Composition
Calculations

•
Example data in this table originates from work done
for the following publication:


“Glycosylation of sputum
mucins

is altered in cystic
fibrosis patients”, 2007.
Glycobiology
, vol. 17 no. 7;
pp 698
-
712

•
The values are from a control sample.

•
The full composition of the patients glycosylation
profile is presented in the Table S1a, and an example
calculation for the
HexNAc

portion of this metric is
provided in Table S1b.

•
One composition is assigned to each mass, but there
may be more than one structure for a given
composition (e.g. 675.2).

•
The compositions are weighted using % abundance
(relative intensity).

Table 1a

Details of Control Patient Glycosylation profile as used to
calculate monosaccharide composition metric.
m/z
, mass to charge
ratio;
z

charge state of the ion;
HexNAc
,
N
-
acetylhexosamine
; Hex,
Hexose
;
Fuc
,
Fucose
;
NeuAc
,
N
-
acetylneuraminic

acid;
Sulf
,
sulfate

modification.

Table S1b

Sample computation of average monosaccharide
composition for one sample. (
HexNAc

residue). The intensities of
the structures are converted to percentages. Each instance of the
residue is multiplied by the % abundance, the results summed and
divided by 100.


Table S1c

Structures of the compositions found in example control
patient glycosylation profile (S1a &
b
). Structures were drawn
using
GlycoWorkBench

(
http://www.glycoworkbench.org/
) and use
the Consortium for Functional Glycomics (CFG) structure
nomenclature.