Optimal bundling of transmembrane helices using sparse distance constraints.

  title={Optimal bundling of transmembrane helices using sparse distance constraints.},
  author={Ken L Sale and Jean-Loup Faulon and Genetha Anne Gray and Joseph S. Schoeniger and Malin M. Young},
  journal={Protein science : a publication of the Protein Society},
  volume={13 10},
We present a two-step approach to modeling the transmembrane spanning helical bundles of integral membrane proteins using only sparse distance constraints, such as those derived from chemical cross-linking, dipolar EPR and FRET experiments. In Step 1, using an algorithm, we developed, the conformational space of membrane protein folds matching a set of distance constraints is explored to provide initial structures for local conformational searches. In Step 2, these structures refined against a… CONTINUE READING
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