Continuous Interdomain Orientation Distributions Reveal Components of Binding Thermodynamics.

ABSTRACT: The flexibility of biological macromolecules is an important structural determinant of function. Unfortunately, the correlations between different motional modes are poorly captured by discrete ensemble representations. Here, we present new ways to both represent and visualize correlated interdomain motions. Interdomain motions are determined directly from residual dipolar couplings, represented as a continuous conformational distribution, and visualized using the disk-on-sphere representation. Using the disk-on-sphere representation, features of interdomain motions, including correlations, are intuitively visualized. The representation works especially well for multidomain systems with broad conformational distributions.This analysis also can be extended to multiple probability density mo

SUBMITTER: Qi Y 

PROVIDER: S-EPMC6115201 | biostudies-literature | 2018 Sep

REPOSITORIES: biostudies-literature