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. Author manuscript; available in PMC: 2013 Dec 5.
Published in final edited form as: J Comput Chem. 2012 Jul 23;33(31):2451–2468. doi: 10.1002/jcc.23067

Figure 9.

Figure 9

Sampling of the pseudo angle defined by the valine nitrogen atom, proline carbonyl carbon atom and sulfonamide sulfur atom during the simulation. Conformations taken from 3 and 8 ns are presented with hydrogen bonding interactions shown in dotted line. The corresponding angle values are indicated by arrows pointed to the probability map.