Table V.

Atomic distances in sulfate-related groups, key inter-residual hydrogen bonds and their occupancies in Lv I^a

Sulfate group		Hydroxyl group		Distanceb (occupancy)c
Residue	Atomd	Residue	Atom
Cr-$2\text{S}{{\text{O}}_3}^{-}$	O	${\text{A}}_{\mathrm{r}}^{\mathrm{\prime }}$	O4	2.8 ± 0.3 (63)
Br-$2\text{S}{{\text{O}}_3}^{-}$	O	Cr	O4	2.8 ± 0.3 (50)
Br-$2\text{S}{{\text{O}}_3}^{-}$	O	Dr	O1	2.7 ± 0.3 (88)
Cnr-$2\text{S}{{\text{O}}_3}^{-}$	O	Anr	O4	2.8 ± 0.3 (61)
Bnr-$2\text{S}{{\text{O}}_3}^{-}$	O	Cnr	O4	2.8 ± 0.3 (51)
Bnr-$2\text{S}{{\text{O}}_3}^{-}$	O	${\text{D}}_{\mathrm{nr}}^{\mathrm{\prime }}$	O2	2.7 ± 0.3 (100)
Sulfate group		Sulfate ester		Distance
Residue	Atom	Residue	Atom
Anr-$2\text{S}{{\text{O}}_3}^{-}$	O	Dr	O4	5.3 ± 0.7

^aSee schematic representation at Figure 9.

^bIn Å.

^cOccupancy is calculated in percentages (%), based on a distance between oxygen atoms in sulfate groups and hydroxyl groups of <3.5 Å. Each of the occupancies of the interaction listed is the sum of all the individual hydrogen bonds between the oxygen atoms in sulfate group with hydroxyl group and the distance is the average of all the individual hydrogen bonds, unless it is otherwise noted.

^dOxygen in the different $\text{S}{{\text{O}}_3}^{-}$ groups.