Table 3.

Hydrogen exchange predictions derived from the CYANA-based RECOORD re-refinement of CI2

Model	Δlog kOH−	correlation	access in X-raya
1	1.06	0.89	10
2	1.41	0.78	10
3	1.49	0.68	10
4	1.07	0.59	11
5	1.33	0.60	10
6	1.00	0.83	9
7	1.08	0.59	10
8	1.06	0.80	9
9	1.28	0.70	10
10	1.19	0.73	10
11	1.60	0.52	10
12	0.89	0.92	9
13	0.92	0.90	8
14	1.61	0.36	10
15	1.23	0.84	11
16	0.98	0.65	12
17	1.44	0.52	11
18	1.21	0.79	9
19	1.60	0.69	11
20	1.30	0.56	10
21	1.29	0.68	9
22	1.14	0.73	11
23	1.18	0.66	10
24	1.15	0.65	11
25	0.90	0.79	9
ave	1.22	0.70	10.0

^aNumber of amide hydrogens exposed to solvent > 0.5 Å that are similarly exposed in the CI2 X-ray structures (14 total).