Table 1.

Electrostatic properties and stability calculated in MOE and purification results for the charge variants

Code name	Source	Delta stability (kcal/mol)	Delta net charge	Positive patch size change (Ang2)	Negative patch size change (Ang2)	Positive CDR patch size change (Ang2)	Negative CDR patch size change (Ang2)	Fv charge (at pH 5.5)	Purification result
−14	MOE	5.38	−13.6	−10	480	0	480	−7.9	Successful
−12	MOE	5.25	−12.4	−40	380	0	380	−8.9	Successful
−11	MOE	4.95	−11.4	−10	460	−10	460	−6.1	Successful
−8	Manual	1.72	−8.4	0	270	−10	270	−2.4	Successful
−4	Ref.12	1.15	−3.4	50	150	0	150	+2.3	Successful
+5	Ref.12	2.27	+4.6	140	−40	140	−40	+10.9	Successful
+11	Manual	−0.17	+10.8	430	−40	430	−40	+16.8	Aggregation
+15	MOE	1.50	+15.87	750	−30	710	−30	+20.9	Failed
+16	MOE	1.58	+15.98	630	−40	640	−40	+21.1	Aggregation
+17	MOE	0.82	+16.79	720	−60	800	−60	+22.0	Aggregation