Table 2A.

Folding of chignolin in 20 NTP MD simulations at 300 K using FF12MC.

Time step (fssmt)	Aggregated simulation time (μssmt)	Aggregated native state population (%)			Estimated folding time (nssmt)
		Mean	SD	SE	Mean	LCL	UCL	Event
1.00	0.632	3	7	2	–	–	–	4
1.00	1.264	7	17	4	–	–	–	7
1.00	1.896	14	22	5	87	53	145	15
1.00	2.528	18	25	5	92	56	150	16
1.00	3.160	22	26	6	82	53	129	19
1.00	3.792	26	26	6	79	51	123	20
1.00	4.424	30	26	6	79	51	123	20
1.00	5.056	31	25	6	79	51	123	20
1.00	5.688	33	24	5	79	51	123	20
1.00	6.320	33	23	5	79	51	123	20
1.00	6.952	34	22	5	79	51	123	20
1.00	7.584	35	21	5	79	51	123	20
1.00	8.216	35	21	5	79	51	123	20
1.00	8.848	35	20	5	79	51	123	20
1.00	9.480	36	20	4	79	51	123	20
1.00	12.640	36	14	3	79	51	123	20
1.00	15.800	38	13	3	79	51	123	20
1.00	18.960	36	12	3	79	51	123	20
1.00	22.120	35	13	3	79	51	123	20
1.00	25.280	35	12	3	79	51	123	20
1.00	28.440	35	12	3	79	51	123	20
1.00	31.600	35	12	3	79	51	123	20

Aggregated native state population: number of conformations from 20 simulations with CαβRMSDs of ≤1.96 Å divided by number of all conformations from the 20 simulations. All MD simulations were performed for 500 million time steps with conditions described in Methods and Table S1. SD: Standard deviation. SE: Standard error. LCL: Lower 95% confidence limit. UCL: Upper 95% confidence limit. Event: number of simulations that captured a folding event.