Table 3.
Estimates of averages for different MDS analysis parameters.
| Details of the complexes | Average (nm) | ||||||
|---|---|---|---|---|---|---|---|
| RMSD in C-α atoms (TLR chains) | RMSD in C-α atoms (Vaccine chain) | RMSF (TLR chains) | RMSF (Vaccine chains) | Gyrate (TLR chains) | Gyrate (Vaccine chains) | Number of hydrogen bonds | |
| Vaccine construct-V1 | |||||||
| TLR2 (Chain A) | 0.1815 (0.0403) | 2.5483 (0.6206) | 0.0946 (0.0381) | 1.5666 (0.4593) | 2.3335 (0.0172) | 4.2606 (0.6157) | 6.50 (2.55) |
| TLR2 (Chain B) | 0.2037 (0.0294) | 0.0928 (0.0350) | 2.3471 (0.0135) | 8.58 (2.02) | |||
| TLR3 (Chain A) | 0.4309 (0.1025) | 3.3534 (0.7955) | 0.1524 (0.0748) | 1.2488 (0.4465) | 3.2935 (0.0496) | 3.6631 (0.5825) | 14.56 (3.19) |
| TLR9 (Chain A) | 0.3360 (0.0403) | 3.1845 (0.7132) | 0.1609 (0.0515) | 1.2963 (0.4194) | 3.2976 (0.0163) | 4.1286 (0.5572) | 13.46 (3.33) |
| Vaccine construct-V2 | |||||||
| TLR2 (Chain A) | 0.1646 (0.0170) | 1.7929 (0.3771) | 0.0965 (0.0305) | 0.8900 (0.3257) | 2.3400 (0.01183) | 2.8537 (0.2904) | 1.21 (0.99) |
| TLR2 (Chain B) | 0.1483 (0.01848) | 0.0838 (0.0304) | 2.3508 (0.0060) | 6.23 (2.33) | |||
| TLR3 (Chain A) | 0.4343 (0.1145) | 2.4636 (0.4938) | 0.1591 (0.0771) | 0.7932 (0.4530) | 3.2923 (0.0601) | 2.8935 (0.1860) | 6.49 (2.81) |
| TLR9 (Chain A) | 0.3036 (0.0221) | 2.6266 (0.4814) | 0.1143 (0.0441) | 1.2275 (0.6199) | 3.3150 (0.0114) | 4.4894 (0.2484) | 9.07 (3.28) |
Standard deviations in average values are given in parentheses.