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| Comparison of molecular surfaces in the region identified as important for species selective function (residues 40-66). The surface of regions 1-39 and 66-77 that are not important for species selectivity is colored white. Conserved residues previously identified as functionally important in human CD59 are colored magenta and are not numbered. Side chains of all nonidentical residues within the 40-66 sequence (and potentially responsible for species selective activity) are colored red (negatively charged residues), blue (positively charged residues), yellow (hydrophobic residues), and green (other residues). Backbone atoms of other residues, as well as side chains of residues that are identical in human and rat CD59 and therefore not important for species selectivity, are shown in white.In collaboration with Dr. Stephen Tomlinson |
Molecular modeling is an essential method used to help predict the main structural features of a protein. From these models it is sometimes possible to derive useful functional information about the proteins concerned.
The basis behind it is to use as much information as possible derived from the solved structures and apply them to the wealth of newly generated gene sequences, derived from several genome programs. All the available parameters are considered. Whenever there are variables that are too uncertain to derive from experimental data, we use powerful prediction algorithms of the ICM program to find the most probable solution.
In today's need for high-throughput, molecular modeling is often one of the best approaches to define priorities for researchers and corporations.