Table 6 Predicted molecular interactions and binding energies (\(\Delta\)G) of SLA-1*04:01 and TLR4 complexes.
Complex | Molecular interactions | \(\Delta\)G (kcal/mol) |
|---|---|---|
SLA1*04:01-TVSAIELEY | 13 HB, 130 NBC | −12.1 |
SLA1*04:01-KTRDFFILY | 11 HB, 142 NBC | −12.1 |
SLA1*04:01-MMDFERVHY | 9 HB, 108 NBC | −11.3 |
SLA1*04:01-KNLSIIWEY | 12 HB, 156 NBC | −11.8 |
SLA1*04:01-KAIELYWVF | 8 HB, 116 NBC | −11.6 |
SLA1*04:01-YLYEIEIEY | 10 HB, 129 NBC | −11.3 |
SLA1*04:01-NSDTVGWSW\(^{\rm a}\) | 11 HB, 120 NBC | −10.8 |
SLA1*04:01-ATAAATEAY\(^{ \rm b}\) | 14 HB, 142 NBC | −11.2 |
TLR4-ASFV construct | 6 SB, 15 HB, 199 NBC | −14.0 |
TLR4-Brucella lumazine synthase\(^{\rm c}\) | 7 SB, 15 HB, 257 NBC | −9.9 |
TLR4-M. tuberculosis RpfE\(^{\rm d}\) | 6 SB, 31 HB, 262 NBC | −9.7 |
TLR4-S. pneumoniae DnaJ\(^{\rm e}\) | 4 SB, 18 HB, 156 NBC | −13.1 |
