Homology modeling of a VHH against conserved region of A. baumannii Bap was studied.
Important VHH 3D structure residues and its clefts, ligand binding site were studied.
Binding modes between Bap as an antigen and the VHH as an antibody were predicted.
Amino acids involved in antigen-VHH interactions were identified.
Functional residues in the largest cleft acting in ligand binding were identified.