Table 1.

Distance comparisons

Residues	X-ray (Cα-Cα), Å	MD (NX-NX), Å	EPR (NX-NX), Å
901-957	16.4	27.2	26.5 ± 1
922-957	5.53	9.5	8 ± 1
901-1033	11.37	12.7	8 ± 1
984-1033	6.58	7.3(~65%) 9(~35%)	7 ± 1

Comparison of distances from X-ray structure, MD simulations and EPR experiments [20]