Table 2.
Pathways | Parameters | Residue Networks | Cost (Å) |
---|---|---|---|
C443→K279 I (8 residues) |
Cij ≥ 0.8 CDCij = 0.4 |
C443→F415→T199→D198→E234 →N389→H302→K279 |
43.9 (0.62,0.51,60) |
|
|||
II (9 residues) |
Cij ≥ 0.8 CDCij = 0.4 |
C443→F415→T199→D 198→E234→ N305→L304→L281→K279 |
46.6 (0.66,0.59, 0.62) |
| |||
R450→K279 III (10 residues) |
Cij ≥ 0.8 CDCij = 0.4 |
R450→V411→G412→E209→D198 →E234→N305→L304→L281→K279 |
51.5 (0.47,0.60, 0.63) |
|
|||
IV (10 residues) |
Cij ≥ 0.8 CDCij = 0.4 |
R450→I409→E218→D219→N232→ E234→N305→L304→L281→K279 |
53.3 (0.74,0.65, 0.64) |
Cij, correlation coefficient of residue-residue fluctuations; , evolutionary conservation constant; , evolutionary coupling constant; , coevolutionary dynamic coupling constant; , distance cutoff. Numbers in parentheses in column 4 represent average Cij between adjacent residues in a given path obtained from the dynamic cross-correlation matrix C for the three replica simulations. The residues in bold represent the terminal residues, all but residues shown in italics are conserved residues; residues in italics represent the co-evolved residues. The underlined residues were chosen for mutational studies.