Table 1.

Change in the integral of quasielastic neutron dynamic susceptibility χ″(q,ν) and dynamic structure factor S(q,ω)

Region	Residues	Number of H values	χ″(q,ν) Relative increase (%)	S(q,ω) Relative increase (%)
B/C loop	78–105	161	8.8 ± 0.6	13.5 ± 1.1
F/G loop	186–193	43	6.1 ± 1.6	9.4 ± 2.3
β5 sheet	385–400	88	6.7 ± 0.4	7.5 ± 0.8
β4 sheet	305–313	59	5.0 ± 1.0	6.1 ± 1.4
I-helix kink	243–254	78	4.6 ± 0.3	5.4 ± 0.3
Total of the above	—	429	6.8 ± 0.7	9.4 ± 1.1
Remainder protein	—	2121	0.5 ± 0.03	0.9 ± 0.04
Entire protein	1–414	2550	3.3 ± 0.1	2.6 ± 0.1

These are for various regions in substrate-free CYP101, relative to the camphor-bound form over energy range 2–200 μeV (i.e., 0.5–50 GHz) calculated from MD simulations.