Table 2.

Pathwalking results at subnanometer resolutions. The table summarizes pathwalking results for four representative structures from the 40 protein benchmark set simulated at 6, 7 and 8 Å resolution. As in Table 1, the number of amino acids for each protein, resolution, Cα RMS deviation, the percent of total Cαs within a 3 and 5 Å radius when compared to the corresponding Cα position in the known structure, the percent of correctly registered Cαs and the topology score from the CLICK webserver (0–1 where 1 corresponds to an identical topology between the known and pathwalker structures) are reported. Images of all resulting pathwalking models can be found in Figure S5.

PDB ID	Length (aa)	Resolution (Å)	RMSD (Å)	Cα within 3Å radius (%)	Cα within 5Å radius (%)	Correctly registered Cαs (%)	Topology score
Alpha
1ppr	155	6	3.11	50.3	92.9	27.7	0.72
		7	4.31	32.3	70.3	18.7	0.80
		8	5.36	23.9	52.9	14.2	0.76
Alpha/Beta
3hms	91	6	3.38	39.6	84.6	19.8	1.00
		7	9.33	13.2	29.7	3.3	0.45
		8	10.78	8.8	17.6	5.5	0.73
Beta
2hnu	81	6	2.34	71.6	100	40.7	1.00
		7	7.99	18.5	34.6	8.6	0.00
		8	-	-	-	-	0.00
Irregular
1ba3	53	6	2.01	86.8	100	54.7	1.00
		7	4.90	13.2	60.4	7.5	1.00
		8	6.43	9.4	47.2	5.7	0.00