Ligand-induced conformational change of a protein reproduced by a linear combination of displacement vectors obtained from normal mode analysis

► Protein pairs in apo and holo forms were studied by normal mode analysis (NMA). ► NMA was performed in dihedral angle space for a full-atom system of protein. ► Not only monomers but also dimers in apo and holo forms were investigated. ► A holo-form conformation is reproduced with displacement vectors of apo-form one. ► Effective conformational sampling around an apo-form protein is suggested.