The following Javascript will calculate the random coil 3JHNHa coupling constants for any protein sequence. The 3JHNHa coupling constants and the general sequence correction factors are from [1] whereas the temperature coefficients correction factors are from [2] and the pressure coefficients correction factors are from [3]. Click here to download the library with coil fragments. References:[1] Shen, Y, Roche, J, Grishaev, A, Bax, A (2017) Prediction of nearest neighbor effects on backbone torsion angles and NMR scalar coupling constants in disordered proteins. Protein Sci, 27, 146-158 (2018) [2] Shi, ZS, Olson, CA, Rose, GD, Baldwin, RL, Kallenbach, NR (2002) Polyproline II structure in a sequence of seven alanine residues. Proc Natl Acad Sci U S A 99: 9190-9195. [3] Roche, J, Ying, J, Maltsev, AS, Bax, A (2013) Impact of Hydrostatic Pressure on an Intrinsically Disordered Protein: A High-Pressure NMR Study of alpha-Synuclein. ChemBioChem 14: 1754-1761. |