Fig. 8

Molecular docking of the vaccine with TLR4 receptor. A The complex shows the interaction between the engineered construct and TLR4 that are represented in colored parts and blue, respectively. TLR4 and ODAC interacted with each other by the truncated N-PepO (yellow part). B The Dimplot 2D-interaction plot shows the creation of hydrogen bonds between the designed construct residues (Thr², Arg³, Asp¹⁰, Trp¹⁶, Asp⁵⁹, Arg⁷⁰, His³⁶⁸, His³⁶⁹, and His³⁷²) and TLR4 residues (Asp⁹⁵, Leu¹¹⁹, Asn¹⁴³, Lys¹⁵⁰, Glu¹⁶⁹, Asn¹⁷³, His¹⁹⁹, Gln²⁰⁰, Glu²²⁵, Arg²²⁷). TLR4 residues, construct residues, hydrogen bonds, and non-bonded residues are depicted in blue, green, green dashed lines, and red/pink eyelashes, respectively