1. Molecular Enzymology, Groningen Biomolecular Sciences and Biotechnology Institute, University of Groningen, 9747AG Groningen, The Netherlands
2. Department of Biology and Biotechnology, University of Pavia, via Ferrata 9, 27100 Pavia, Italy
3. Electronic and Atomic Protein Modelling Group, Barcelona Supercomputing Center, E-08034 Barcelona, Spain