Table 1.

Differences in Average Pairwise Distances between MD and Crystal Structures

Residues in PRMNS1	Difference in Average Pairwise Distances (MDa–Crystalb) (Å)
	Acidic Residues in the nSH3 Domain
	D142	D147	E149	D150	D163	E166
R211	negative 0.9	–c	–c	–c	–c	–c
K219	–c	negative 2.3	negative 1.3	negative 2.2	0.9	negative 0.5
R220	–c	negative 1.0	negative 0.4	negative 0.8	negative 1.1	negative 2.2
K221	–c	negative 3.4	negative 0.9	negative 1.5	3.8	negative 0.4

^aAverage distances of MD simulations of PRM^NS1A and PRM^NS1B.

^bAverage distances of two crystal structures (PRM^NS1A and PRM^NS1B).

^cThese distances were longer than 15 Å and were not included in the calculation.