DEER-PREdict: Software for efficient calculation of spin-labeling EPR and NMR data from conformational ensembles
Fig 4
Calculated and experimental PRE HSQC intensity ratios for the T17C, V36C, M46C, S65C and I86C mutants of ACBP.
Blue lines represent the experimental data [53], with the associated ±0.1 error shown by the blue shaded areas. Red lines represent intensity ratios calculated from PDB code 1NTI with τc = 2 ns, τt = 0.2 ns, td = 10 ms, R2 = 12.6 s−1.