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. 2022 Jul 14;19(14):8588. doi: 10.3390/ijerph19148588

Table 4.

Distance of interaction between ligand and TLR4 amino acids.

Ligand Amino Acid Interaction Type Distance
IP ILE52 Hydrophobic Pi-sigma, Pi-sigma, Pi-sigma, Pi-Alkyl 3.3891, 3.89425, 3.44148, 4.62034
PHE121 Hydrophobic Pi-Pi stacked, Pi-Pi stacked 4.14965, 4.64929
PHE151 Hydrophobic Pi-Pi T-shaped 5.84498
LEU61 Hydrophobic Pi-Alkyl 5.18222
ILE32 Hydrophobic Pi-Alkyl 5.47123
VAL48 Hydrophobic Pi-Alkyl 5.16885
DahA PHE119 Hydrophobic Pi-Pi stacked, Pi-Pi stacked, Pi-Pi stacked 5.52106, 4.47965, 5.42439
PHE121 Hydrophobic Pi-Pi stacked, Pi-Pi stacked, Pi-Pi stacked 5.11694, 3.86586, 3.74824