FLUCTUATION AND CORRELATION IN CRYSTALLINE LYSOZYME

We examine interatomic distance fluctuations and displacement correlat ions in orthorhombic hen egg-white lysozyme using results from a 1 ns molecular dynamics trajectory of the crystalline unit cell. It is foun d that locally in the sequence the atoms are both highly correlated an d undergo low relative fluctuations. Those nonlocal elements of the st ructure that undergo low relative fluctuations are located largely wit hin secondary structural elements in the beta domain. The canonical co rrelation matrices of the four lysozyme molecules in the unit cell are markedly different and have not converged.