Table 3.

Populations of G:G base-pair arrangements^a of SC14 and their transitions in the unrestrained MD simulations.^b

	Population (%)			Average residence time (ns)c
Base-pair of SC14	WC-H	tWW	H-WC	WC-H	tWW	H-WC
G5:G1	3.1	94.6	0.0	23	594	1
G7:G−II	0.0	86.9	9.5	6	150	17
G6:G9	98.6	0.0	0.0	4032	–	–

^aFor detailed description of base pair arrangements see Figure 3B.

^bThe data are calculated over all simulations, taking the portions where PGH was present (see Supplementary Table S3).

^cAverage time spent in a given base pair arrangement before transition into another one (or before reaching simulation end). Note that residence times on the order of thousands of nanoseconds are comparable to the length of the simulation; therefore they could be affected by the simulation-end artifact and would probably be longer if the simulations were longer.