I am studying small, disordered peptides with Wishart's randomcoilindex webserver using CA,CB and HA chemical shifts.
The results predict rather rigid structures with order parameter values of ~0.7-0.8.
With TALOS+ (also calculating order parameters with this method), I usually got better and more realistic results (~0.1-0.7), after offset correction.
I have also noticed, that by modifying the CA shifts (in a smaller extent of + 3 ppm) of asparagine or aspartate residues, completely different results arise globally.
How can this unrobust behavior be explained, can the data be easily interpreted in the case of disordered peptides?
(My compounds were referenced with DSS experimentally)