Table 3.

Carbohydrate-peptide and peptide-peptide hydrogen bond occupancies.^a

Comp. No.	Carbohydrate-Peptide H-bond Occupancy		Peptide-Peptide H-bond Occupancy
	GalNAc (HN) – 1T/1S (O)	GalNAc (O) – 4A (HN)	4A (O)- 7V/7A (HN)	3P (O)- 6V/6A (HN)	5A/5V (O)- 8V/8A (HN)
1	0.672	0.092	0.035	0.103	0.050
2	0.292	0.059	0.020	0.106	---
3	0.491	0.122	0.092	0.282	0.102
4	0.653	0.064	---	0.177	---
5	0.638	0.098	---	0.026	---
6	0.706	0.127	0.164	0.070	0.039
7	0.664	0.117	0.011	0.034	0.034
8	0.527	0.059	0.015	0.019	0.081
9*	0.629	0.103	0.625	0.623	0.492
10	0.621	0.082	---	---	0.093
11*	0.681	0.091	0.481	0.531	0.247
12			---	0.015	0.014
13			0.043	0.096	0.023
14	0.520	0.465	---	---	----

^aOccupancies calculated using a H-bond cutoff distance of 3.5 Å.

^*Additional H-bonds between 3P(O)-7A(HN) (0.589 and 0.436) and 4A(O)-8A(HN) (0.543 and 0.209) found in 9 and 11.