Table 2.

Validation of mutant screening method applied to eleven A. thaliana ent-CPS variants of impaired enzymatic activity

Nr	Mutation	Effect score [− 100; 100]	Probability (%)	ΔΔGFOLD (kcal/mol)	Secondary structure change and accuracy of prediction (%)	ΔΔGBIND (kcal/mol)	KA (nM)
1	E211A	36	66	− 0.04	Change, 0% sheet → sheet	− 0.55	115.56
2	H331A	32	66	1.27	None, 100%, helix → helix	− 0.57	113.43
3	H331R	− 22	61	0.98	None, 100%, helix → helix	− 0.83	72.65
4	R340A	65	80	1.88	None, 100%, helix → helix	− 0.76	81.21
5	D377A	72	85	0.74	None, 100%, coil → coil	− 0.07	261.56
6	D379A	27	63	− 0.08	None, 100%, helix → helix	− 0.33	168.65
7	D380A	36	66	− 2.73	None, 100%, helix → helix	− 0.52	123.00
8	T421A	45	71	0.94	None, 100%, helix → helix	− 0.97	57.36
9	T421S	− 2	53	0.48	None, 100%, helix → helix	− 0.53	119.52
10	N425A	31	66	0.77	None, 100%, helix → helix	− 0.73	86.29
11	D503A	45	71	0.83	None, 100%, coil → coil	− 0.02	283.63