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. Author manuscript; available in PMC: 2019 Jun 11.
Published in final edited form as: Angew Chem Int Ed Engl. 2018 Apr 25;57(24):7171–7175. doi: 10.1002/anie.201709184

Figure 6.

Figure 6

Scatter plots of the fractions of secondary structural elements determined from the known structures (“Experimental %”) versus the fractions obtained by fits to experimental CD spectra (“Predicted %). These data were obtained using the reference G-quadruplex CD spectra library and a leave-one-out cross-validation constrained least-squares fitting strategy. The red solid line is the least-squares linear fit to the data points, while the dashed blue line represents the line (slope =1) expected for a perfect correlation between the actual and estimated fractions. The correlation coefficients for the linear fits are shown in Table S6.