RMSDs (Å) of the Cα atoms from the respective X-ray structural positions.

For all the RMSD calculations, the alignments A1 and A2 were based upon the protein Cα atoms (the group of atoms G for A2 corresponds to the 80 s loop or to its three sub-regions 82–83, 84–93, and 94–95; see text for the definition of A1 and A2). For comparison, their counterparts calculated for the complexed state CS308 are also given.aAll Cα atoms but those of segment 82–95.RMSDs (Å) of the Cα atoms from the respective X-ray structural positions.