PMC:2728246 / 58094-58869 JSONTXT

{"target":"http://pubannotation.org/docs/sourcedb/PMC/sourceid/2728246","sourcedb":"PMC","sourceid":"2728246","source_url":"https://www.ncbi.nlm.nih.gov/pmc/2728246","text":"Side chain coordinates within the brub ensemble are constructed using a rotamer library (Dunbrack and Karplus 1993). The improved agreement of RDC-derived average spherical harmonics when compared to 1d3z is therefore triggered by accurate representation of backbone conformational averaging that is propagated to the side chains. Thus, an accurate representation of backbone dynamics induces an improved but imperfect representation of side chain conformational averaging in the brub ensemble. This result supports the notion that backbone and side chain motions are coupled and therefore correlated. The accuracy of conformational averaging in side chains of the brub ensemble would benefit from a rotamer selection protocol that optimizes agreement with methyl group RDCs.","tracks":[{"project":"2_test","denotations":[{"id":"19652920-8464064-56191015","span":{"begin":110,"end":114},"obj":"8464064"}],"attributes":[{"subj":"19652920-8464064-56191015","pred":"source","obj":"2_test"}]}],"config":{"attribute types":[{"pred":"source","value type":"selection","values":[{"id":"2_test","color":"#b7ec93","default":true}]}]}}