MAESTRO - multi agent stability prediction upon point mutations

BMC Bioinformatics

Table 5 Prediction of disulfide bonds in 15 structures with known engineered disulfide bonds

PDB ID	Mutation ^a	MAESTRO		MAESTRO-Score		Salam *et al.*
		Abs.Rank	Rel.Rank	Abs.Rank	Rel.Rank	Abs.Rank	Rel.Rank
1FG9	Glu7:A–Ser69:A	1	0.04	0	0.00	15	0.71
1LMB	Tyr88:3–Tyr88:4	10	0.20	9	0.18	32	0.48
1RNB	Ala43–Ser80	2	0.03	9	0.14	3	0.07
1RNB	Ser85–His102	33	0.52	40	0.63	0	0.00
1SNO	Gly79–Asn118	3	0.04	4	0.05	22	0.34
1XNB	Ser100–Asn148	1	0.01	13	0.10	8	0.08
2CBA	Leu60–Ser173	66	0.45	68	0.46	55	0.47
2CI2	Thr22–Val82	5	0.18	4	0.14	0	0.00
2LZM	Ile9–Leu164	31	0.44	38	0.54	13	0.21
2RN2	Cys13–Asn44	14	0.16	21	0.24	25	0.33
2ST1	Thr22–Ser87	37	0.16	30	0.13	44	0.23
3GLY	Asn20–Ala27	104	0.39	163	0.62	187	0.82
3GLY	Thr246–Cys320	35	0.13	34	0.13	19	0.08
4DFR	Pro39–Cys85	11	0.10	11	0.10	16	0.13
9RAT	Ala4–Val118	8	0.15	10	0.19	25	0.68
Average		2 4	0 . 2 0	3 0	0 . 2 4	3 1	0 . 3 1
Median		1 1	0 . 1 6	1 3	0 . 1 4	1 9	0 . 2 3

Abs.Rank: absolute rank, Rel.Rank: relative rank. ^aThe letter or digit after the colon denotes the chain(s) used in case of multi-chain PDB entries.

ISSN: 1471-2105