Table 3.
Output parameters created by program DYNAMICS
| Parameter | Meaning and data format |
|---|---|
| NOMOD | List of residues in the NOMOD category (see Section 2.4), i.e. residues for which none of the models of local motion passed the goodness-of-fit test (χ2 too high), although at least one model provides a physically meaningful set of microdynamic parameters |
| EXCL | List of residues that have been excluded by the program because none of the tested models of local motion are able to provide a physically meaningful set of microdynamic parameters (see Section 2.4) |
| RES | The results of fit in the following format (array Nres × 10): [Residue# τc S2 τloc Rex Sfast2 τfast model-Index χ2 CSA] |
| ERR | The results of error analysis in the following format (array Nres × 7): [Residue# δτc δS2 δτloc δRex δSfast2 δτfast] |
| RESERR | Combined results of fit (RES) and error analysis (ERR) in the following format (array Nres × 16): [Residue# τc δτc S2 δS2 τloc δτloc Rex δRex Sfast2 δSfast2 τfast δτfast model-Index χ2 CSA] |
| TAUCHI | Record of all evaluations performed during the current DYNAMICS run in the isotropic tumbling mode or monomer-dimer equilibrium (empty if anisotropic tumbling). Each line is a summary statistics for all residues, in the following format: τc, χ2(mod), Nnomod, χ2(nomod), runs, df, χ2(total), χ2(total)/df, Nexcl |
| ANISO | Record of all evaluations performed during the current DYNAMICS run in the anisotropic mode (empty matrix in the isotropic or mono-dimer equilibrium). Each line is a summary of statistics for all residues, in the following format (for axially symmetric model): τc, Dz/Dx,β,α, χ2(mod),Nnomod,χ2(nomod), runs, df, χ2(total), χ2(total)/df, Nexcl In the case of fully anisotropic tumbling model, the format is τc, Dz/Dx, Dy/Dx β,α,γ χ2(mod),Nnomod,χ2(nomod), runs, df, χ2(total), χ2(total)/df, Nexcl |
| runs | This parameter counts how many times the selected model switches between model-free and “extended” model-free models in adjacent residues along the protein sequence |
| df | Number of degrees of freedom, df = Ndat - Npar |
| chi2 | Residuals of fit, |