Bayesian optimization with evolutionary and structure-based regularization for directed protein evolution

Table 1 The mean, median, and variance for each scoring metric and each protein type

Protein	Metric	Mean	Median	Variance	(1)	(2)	(3)
GB1	(1) Fitness	0.08	0.003	0.16	1.0	− 0.09	− 0.25
	(2) TPLM Log-odds	11.55	11.49	3.80	− 0.09	1.0	− 0.01
	(3) FoldX \(\Delta \Delta G\)	9.42	8.39	27.93	− 0.25	− 0.01	1.0
BRCA1	(1) E3 ubiquitin ligase activity	0.63	0.60	0.17	1.0	0.31	− 0.38
	(2) TPLM log-odds	2.46	2.56	6.06	0.31	1.0	− 0.26
	(3) FoldX \(\Delta \Delta G\)	2.03	0.76	15.83	− 0.38	− 0.26	1.0
Spike	(1) ACE2 binding affinity	0.74	0.87	0.07	1.0	− 0.06	− 0.63
	(2) TPLM log-odds	2.62	2.73	0.42	− 0.06	1.0	0.11
	(3) FoldX \(\Delta \Delta G\)	2.51	1.48	14.36	− 0.63	0.11	1.0

The final three columns show spearman correlations between each respective score

ISSN: 1748-7188