Table 2. Overlaps Ω between LRT-Derived Displacements and Apo-holo Displacements Computed for HCN4 with Different ENM Parametersa.
ENM parameter set | II | III | IV | rc, Å | AA specific | NB distance dependence |
---|---|---|---|---|---|---|
invariant* | –0.84 | 0.75 | –0.55 | 8 | false | |
invariant | –0.63 | 0.71 | –0.69 | 15 | ||
invariant* | –0.46 | 0.69 | –0.51 | 45 | ||
invariant* | –0.51 | 0.68 | –0.26 | 150 | ||
sdENM | –0.66 | 0.72 | –0.67 | true | binned distance categories | |
eANM | –0.67 | 0.72 | –0.70 | 14 | true | |
pfANM | –0.57 | 0.68 | –0.37 | false | dij–2 | |
pfANM* | –0.63 | 0.71 | –0.69 | 15 | ||
Hinsen | –0.63 | 0.72 | –0.68 | false | dij–6 | |
exANM | –0.61 | 0.74 | –0.72 | 15 | false |
Average overlap values after perturbation of the CNBD in subunits A–D (position I) are given in arbitrary units, rounded to two decimals. Standard deviations are below 0.01. The chosen cutoff value (rc) as well as absence or presence of an amino acid-specific evaluation of interactions (AA specific) are also listed. Short notes regarding the distance dependence of nonbonded interactions as part of the parameter set are listed in the last column (NB distance dependence). The dependence on that distance between node pair ij (dij) is directly given if part of the functional form of the ENM. sdENMs evaluate nonbonded distances for specific amino acid pairs and specific distance bins (binned distance categories). ENM parameter sets with a nonstandard rc are marked with an asterisk (*). Additional information regarding the listed ENM parameters is available in the Methods section.