Table 3. Extending the partial match.
a | b | c | d | |||
1B0F Motif | SER195 | HIS57 | SER214 | GLY193 | ||
1CFE motif | SER49 | HIS48 | TYR36 | ALA51 | ||
ab | ac | ad | bc | bd | cd | |
PDB | Pairwise Distances | |||||
1B0F | 5 | 6.8 | 4.6 | 4.7 | 9.4 | 11 |
1CFE | 4.9 | 6.8 | 4.5 | 5 | 9.1 | 10 |
Pairwise Potential difference | ||||||
1B0F | 53.7 | 105.7 | −111.1 | 51.9 | −164.9 | −216.8 |
1CFE | 15.3 | 88.6 | −58.1 | 73.3 | −73.4 | −146.8 |
Spatial and electrostatic potential difference (PD) congruence in cognate pairs in the human neutrophil elastase (PDBid:1B0F) and the pathogenesis related P14A protein (PDBid:1CFE) for an extended set of four residues in the active site.