Supplementary Data - Bioinformatics

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4 Οκτ 2013 (πριν από 3 χρόνια και 10 μήνες)

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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.