Table 3. Comparison of TLR2 subfamily ECDs before and after MD simulations. The distances between the N‐ and C‐terminal ends of TLR2 subfamily members were calculated for their initial and 15‐ns structures.
TLRs | Initial structure (Å) | After MD simulations as monomer (Å) | After MD simulations as ligand‐unbound dimer (Å) | After MD simulations as ligand‐bound dimer (Å) |
---|---|---|---|---|
hTLR2 | 59.1 | 49.3 | 50.9 | 52 |
hTLR1 | 44.1 | 55.7 | 43.3 | 45 |
mTLR2 | 56.3 | 52 | 62.7 | 53.9 |
mTLR6 | 47.9 | 41.8 | 48.4 | 48.7 |