5.4.99.5 additional information - The average structures of the thermophilic E.S complex at three different temperatures are obtained from the MD simulations. A snapshot of the most important features of the active site of the TtCM E.S complex at 70°C is shown. At this temperature the Boltzmann distribution is primarily composed of reactive conformers - near attack conformers (NACs). The effects of the different temperatures on the distances in the structure are shown. The distances between electrostatic and hydrophobic pairs decrease as temperature decreases 672198 5.4.99.5 20 - assay at 671111 5.4.99.5 35 37 enzyme form CM1 3564 5.4.99.5 37 - - 3536 5.4.99.5 37 - assay at 672268, 674346, 747259, 747842, 749355 5.4.99.5 37 - at assay 674312 5.4.99.5 38 - decrease in turnover at temperatures higher than 38°C 651660 5.4.99.5 48 - maximum enzymatic activity 651660 5.4.99.5 56 - enzyme form CM2 3564 5.4.99.5 60 - assay at 692260