Solution conformation of gramicidin S: An intramolecular nuclear Overhauser effect study |
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| Authors: | Huang D H Walter R Glickson J D Krishna N R |
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| Affiliation: | Comprehensive Cancer Center and Department of Physics, The University of Alabama in Birmingham, University Station, Birmingham, Alabama 35294. |
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| Abstract: | The solution conformation of gramicidin S in deuterated dimethyl sulfoxide was investigated by using the intramolecular nuclear Overhauser effect experiment. Experimental Overhauser enhancements were compared with predicted values for each of the nine most-stable conformations (M1-M9) calculated by Dygert et al. on the basis of energy-minimization procedures [Dygert, M., Gō, N. & Scheraga, H. A. (1975) Macromolecules 8, 750-761]. By using statistical hypothesis testing, the three lowest-energy conformations (M1, M2, and M3) were shown to give the best fit with the experimental data. All other conformations (M4-M9) were found to be inconsistent with the experimental data. |
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