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. Author manuscript; available in PMC: 2018 Oct 1.
Published in final edited form as: J Am Soc Mass Spectrom. 2017 Jul 27;28(10):1991–2000. doi: 10.1007/s13361-017-1757-1

Figure 2.

Figure 2

Coarse-graining error for domain and subunit-level representations. A) An example high resolution reference structure PDB ID 4MXW with subunits color coded. B.) A coarsegrained model of 4MXW at the subunit level. C) A coarse-grained model of 4MXW at the domain-level. D) 191 non-redundant protein topologies were coarse grained at the subunit-level. The coarse-graining error distribution for this level of coarse-graining is shown, with bin sizes of approximately 4 Å along the X-axis. E) Subunit-level coarse graining introduced significant CCS errors for 28% of the complexes in our set. F) The coarse-graining error distribution for the same set of protein topologies coarse-grained at the domain level. G) When coarse-grained at the domain level, only 2% of topologies had significant coarse-graining errors introduced.