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Table 5 Predicted changes in interaction energy for AA changes in the broadly-neutralizing anti-HIV antibody 4E10

From: MAPs: a database of modular antibody parts for predicting tertiary structures and designing affinity matured antibodies

Domain Mutation ΔΔG (kcal/mol)
VH K 14 R −2.54
VH K 20 T −1.975
VH T 29 S −3.071
VH S 36 T −2.343
VH I 39 L −3.495
VH Q 48 R −2.846
VH I 56 V −1.889
VH I 59 L −3.449
VH G 63 T −2.573
VH A 65 T −1.801
VH Q 69 P −1.691
VH K 70 R −2.226
VH V 76 I −1.678
VH K 82 R −2.143
VH M 89 L −2.158
VH S 92 N −2.549
VH S 96 P −2.451
VH I 109 T −0.923
VH I 111 G −1.026
VH F 111a W −2.648
VH V 111c W −3.922
VH V 112d L −2.517
VH I 112c G −3.328
VH I 112b K −45.027
VH D 113 G −45.886
VH D 116 A 5.989
VH V 117 H −0.445
VH M 123 L −1.908
V-KAPPA L 11 Q −2.11
V-KAPPA S 30 G −3.713
V-KAPPA S 36 N 0.412
V-KAPPA S 37 N −2.128
V-KAPPA Y 38 K −55.314
V-KAPPA K 45 R −2.614
V-KAPPA A 68 P −2.604
V-KAPPA T 69 S −2.681
V-KAPPA I 71 V −2.177
V-KAPPA P 72 A −2.41
V-KAPPA S 109 Q −2.969
V-KAPPA P 115 L −4.398
V-KAPPA W 116 S −5.325
V-KAPPA I 126 V −2.531
  1. Note that 37 of 42 AA changes are predicted to be weakly beneficial, 3 are predicted to be strongly beneficial, and 2 are predicted to be weakly detrimental to antigen binding. Sequence numbering is according to the IMGT® unique numbering [36-39].