Corrigendum: Shape Persistence of Polyproline II Helical Oligoprolines.

Abstract

It has been brought to author's attention that lowest line of subplots in Figure 1 was erroneously swapped with the upper line of subplots in Figure 2. Figure captions in the article are correct for the figures given below. Comparison of experimental distance distributions compounds P5, P8, P11, P14, and P17 in w/g and TFE with the results of atomistic modeling simulations. Top row: Experimental GdIII-nitroxide distance distributions in w/g (—), atomistic model predictions for a probability of cis amide bonds at any single amide bond of 1 % (••••), 2 % (—), and 3 % (- - - -); see Table 1 for fit details; Tik=Tikhonov regularization. Middle row: Experimental GdIII-nitroxide distance distributions in w/g (—), relative contribution from backbone conformations with all-trans (- - - -) and a 2 % probability of cis-amide bonds (••••) at any amide bond. Bottom row: Experimental GdIII-nitroxide distance distributions in TFE (—), along with the best fitted distributions from the atomistic model (- - - -; see also Table 1), assuming 0 % of cis-containing conformations. Comparison of experimental distance distributions for compounds P5, P8, P11, P14, and P17 in w/g and TFE with the results of the Gaussian-broadened WLC-model-based simulations. Tik=Tikhonov regularization. Top row: Model-free fits of GdIII–nitroxide distance distributions in w/g (—), along with the best fitted distance distributions within the Gaussian-broadened WLC model (– – –; contracted contour lengths, see Table 2). Bottom row: Experimental GdIII-nitroxide distance distributions in TFE (—), along with the best fitted distance distributions within the Gaussian-broadened WLC model (– – –; contracted contour lengths, see Table 2).