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

BMC Bioinformatics

Table 1 PDB IDs and descriptions of the selected protein systems

Stability type	PDB ID	Total number of residues^a	Number of mutated residues	Number of mutations
Folding	1BNI	110	67	163
	1BVC	153	37	56
	1HFZ	124	12	23
	1LZ1	130	53	116
	1PIN	163	32	56
	1RN1	104	23	48
	1RTB	124	22	50
	1VQB	87	34	92
	1WQ5	268	11	41
	2ABD	86	20	27
	Total	–	–	672
Binding	1A4Y	460/123	29	32
	1BRS	110/89	17	30
	1CBW	58	15	31
	1IAR	129	20	36
	1JTG	263/165	35	37
	1LFD	87	17	19
	1PPF	56	10	190
	2JEL	85	32	43
	2WPT	86/134	22	26
	3HFM	214/215/129	21	71
	Total	–	–	515

The dataset is comprised of 1187 mutations from 10 protein systems and 10 protein complexes for which experimental \(\mathrm{\Delta \Delta }G\) values are known
^aSequence length as provided by RCSB Protein Data Bank. In case of protein complexes in binding stability dataset, a number is given for each mutagenized chain

ISSN: 1471-2105