Skip to main content
. Author manuscript; available in PMC: 2018 Apr 20.
Published in final edited form as: J Phys Chem B. 2016 Dec 6;121(15):3412–3423. doi: 10.1021/acs.jpcb.6b08955

Table 1.

Probability distribution for each GL clustera

Cluster antibody/de-
acetylated saccharide
antibody/O-
acetylated saccharide
de-acetylated
saccharide
O-acetylated
saccharide
11111133 0.510 0.001 0.911 0.910
11111233 0.000 0.000 0.000 0.006
11112133 0.000 0.000 0.000 0.004
11121133 0.000 0.000 0.000 0.014
11111143 0.003 0.000 0.000 0.000
11211133 0.011 0.000 0.022 0.011
12111133 0.426 0.952 0.044 0.016
12111233 0.000 0.003 0.000 0.000
12121133 0.000 0.005 0.000 0.000
12111143 0.007 0.001 0.000 0.000
12211133 0.015 0.019 0.000 0.000
21111133 0.018 0.000 0.017 0.037
21111143 0.000 0.000 0.000 0.002
21211133 0.000 0.000 0.002 0.000
22111133 0.008 0.018 0.001 0.000
a

Only the clusters with a probability > 0.1% are listed. The index definition for φ/ψ was indicated in Figure 2. While a division of (0°, 180°] and (−180°, 0°) was used for ψ14' in the bound saccharides instead of (−180°, −120°) & (0°, 180°] and [−120°, 0°] for the unbound saccharides. The eight linkages correspond to φ14/ψ14, φ14'/ψ14', φ14"/ψ14", φ13a/ψ13a, φ13b/ψ13b, φ13c/ψ13c, φ13/ψ13, and φ13'/ψ13'. The population ratio is given for each GL cluster.