Statistical modeling to quantify the uncertainty of FoldX-predicted protein folding and binding stability

BMC Bioinformatics

Table 5 System-by-system breakdown of the model performance

Energy type	PDB ID	Mutations	Median Error	Coverage (%)	Median width
Fold	1BNI	163	0.63	96	2.90
	1BVC	56	0.70	100	2.73
	1HFZ	23	0.63	100	2.93
	1LZ1	116	0.75	100	3.08
	1PIN	56	0.53	98	2.94
	1RN1	48	0.55	100	2.72
	1RTB	50	1.00	94	3.03
	1VQB	92	1.28	79	2.77
	1WQ5	41	1.13	88	2.93
	2ABD	27	0.52	96	2.77
	Total	672	0.73	95	2.89
Bind	1A4Y	32	0.35	100	3.46
	1BRS	30	2.27	90	3.78
	1CBW	31	0.84	97	3.65
	1IAR	36	0.30	100	3.89
	1JTG	37	0.94	100	3.99
	1LFD	19	0.39	100	3.13
	1PPF	190	1.17	96	3.29
	2JEL	43	0.17	98	3.05
	2WPT	26	0.54	100	3.53
	3HFM	71	1.40	79	3.46
	Total	515	0.90	95	3.47

Inspection of the model performance (full model) separately for each protein system reveals a wide variation

ISSN: 1471-2105