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. 2013 Jan 24;8(1):e54874. doi: 10.1371/journal.pone.0054874

Table 3. Comparison of theoretical and experimental specificity data for mAb JAA-F11 with glycans containing the TF motif present in the CFG v4.0 glycan array.

ID Glycan Sequence Theoretical Experimental RFUa
Clash Scoreb Sp8c Sp14 Sp0
1 Galβ1-3GalNAcα 0 98 0 ---d
2 Neu5Acβ2-6(Galβ1-3)GalNAcα 0 81 --- ---
3 Neu5Acα2-6(Galβ1-3)GalNAcα 0.1 78 0 ---
4 Galβ1-4GlcNAcβ1-6(Galβ1-3)GalNAcα 0 52 0 ---
5 GlcNAcβ1-6(Galβ1-3)GalNAcα 0 51 0 ---
6 Neu5Acα2-3Galβ1-4(Fucα1-3)GlcNAcβ1-6(Galβ1-3)GalNAcα 0 --- 0 ---
7 Neu5Acα2-3Galβ1-4GlcNAcβ1-6(Galβ1-3)GalNAcα 0 --- 0 ---
8 (3S)Galβ1-3GalNAcα 2.8 0 --- ---
9 Fucα1-2Galβ1-3GalNAcα 7.6 0 0 ---
10 GlcNAcβ1-2Galβ1-3GalNAcα 11.6 0 --- ---
11 GlcNAcβ1-3Galβ1-3GalNAcα 12.4 0 --- ---
12 6S(Neu5Acα2-3Galβ1-3)GalNAcα 17.3 0 --- ---
13 Neu5Acα2-3Galβ1-3GalNAcα 17.4 0 0 ---
14 Neu5Acα2-6(Neu5Acα2-3Galβ1-3)GalNAcα 17.6 0 0 ---
15 KDNα2-3Galβ1-3GalNAcα 13.8 --- 0 ---
16 Neu5Acα2-3Galβ1-4GlcNAcβ1-6(Neu5Acα2-3Galβ1-3)GalNAcα 17.4 --- 0 ---
17e Neu5Acα2-3Galβ1-4(Fucα1-3)GlcNAcβ1-6(Neu5Acα2-3Galβ1-3)GalNAc 17.5 --- 0 ---
18e GlcNAcα1-4Galβ1-3GalNAc 6.1 --- 0 ---
19e Galβ1-3GalNAcα1-3(Fucα1-2)Galβ1-4GlcNAc 5.1 --- --- 0
20e Galβ1-3GalNAcα1-3(Fucα1-2)Galβ1-4Glc 5.3 --- --- 0
21 Fucα1-2Galβ1-3GalNAcα1-3(Fucα1-2)Galβ1-4GlcNAcβ 12.6 --- --- 0
22 Fucα1-2Galβ1-3GalNAcα1-3(Fucα1-2)Galβ1-4Glcβ 12.8 --- --- 0
23 GalNAcα1-3(Fucα1-2)Galβ1-3GalNAcα1-3(Fucα1-2)Galβ1-4GlcNAcβ 26.3 --- --- 0
a

Normalized RFUs averaged over all protein concentrations (0.1, 5 and 200 μg/mL) and over multiple values for the same glycan, when present on the CFG array, see Methods. bRelative van der Waals overlap, see Methods. cSpacers, Sp0: –(CH2)2NH2; Sp8: –(CH2)3NH2; Sp14: -threonine. dNot present on glycan array. eReducing anomeric configuration undefined on the CFG array, α-configuration assumed for the CCG analysis.