Table 1.

Dataset of the 49 experimental binding affinities used in this work, adapted from Refs. [7,32]. Energies are expressed in units of kcal/mol. The prefix H- or L- indicates whether the mutation was made to the heavy or the light chain, respectively; letter pairs at the end of some of the mutants correspond to the residue insertion code relative to the germline sequence, followed by the 1-letter code of the residue after mutation. The reversion mutant definitions are taken from Table S10a in Ref. [32]. They are: H-4rev—A56G, V57T, P62K, V73T (heavy chain); H-7rev—T33Y, G55S, A56G, V57T, P62K, V73T, Y74S (heavy chain); HL-11rev chain: I30T, K52N, R53N, G54S, A56G, V57T, R61Q, P62K, V73T, Y74S (heavy chain), Y28S (light chain).

93TH057/VRC01		RSC3/VRC01
Mutation	ΔG	Mutation	ΔG
-	−11.31	-	−10.51
H-T33Y	−11.23	H-I30A	−10.51
H-G54S	−10.56	H-T33A	−9.81
H-A56G	−11.37	H-W47A	−9.32
H-V57T	−11.17	H-W50A	−9.23
H-P62K	−11.08	H-K52A	−9.89
H-R61Q	−11.21	H-R53A	−10.77
H-K52N	−11.13	H-G54A	−11.78
H-R53N	−11.26	H-G55A	−9.26
H-V73T	−11.14	H-V57A	−9.17
H-Y74S	−10.98	H-N58A	−8.76
H-I30T	−11.26	H-Y59A	−9.97
H-4rev	−9.63	H-R61A	−9.53
H-7rev	−9.36	H-P62A	−10.55
HL-11rev	−10.44	H-Q64A	−10.85
L-Y28S	−10.65	H-M69A	−9.99
H-C32S+H-C98A	−11.05	H-R71A	−8.88
L-iAA	−8.92	H-V73A	−9.43
L-iSY	−10.38	H-Y74A	−10.71
		H-D99A	−10.45
		H-Y100A	−9.10
		H-N100AA	−9.40
		H-W100BA	−6.09
		L-V3A	−11.28
		L-Q27A	−10.74
		L-Y28A	−9.54
		L-S30A	−10.65
		L-Y91A	−8.51
		L-E96A	−9.20
		L-F97A	−9.66