Table 5.
Root Mead Squarer Deviation (RMSD) values and displacement (fraction) for the mutant enzymes compared to Lacc 6.
Mutant | Mode | RMSD | Fraction of displacement |
---|---|---|---|
4-DB | 7 | 1.097 | 0.3211 |
8 | 1.109 | 0.0883 | |
9 | 1.109 | 0.5263 | |
3-DB | 7 | 1.004 | 0.0134 |
8 | 1.004 | 0.5754 | |
9 | 1.004 | 0.5323 | |
D233C-T310C | 7 | 1.016 | 0.2418 |
8 | 1.016 | 0.1575 | |
9 | 0.998 | 0.3829 | |
F468P | 7 | 1.004 | 0.4454 |
8 | 1.004 | 0.0866 | |
9 | 0.999 | 0.5285 | |
3-SB | 7 | 1.014 | 0.1945 |
8 | 1.014 | 0.1693 | |
9 | 1.011 | 0.5415 | |
L132T | 7 | 0.97 | 0.0456 |
8 | 0.97 | 0.3889 | |
9 | 0.97 | 0.4427 | |
N79D | 7 | 1.044 | 0.0363 |
8 | 1.044 | 0.4279 | |
9 | 1.034 | 0.4928 | |
N372D | 7 | 1.02 | 0.0716 |
8 | 1.02 | 0.3694 | |
9 | 1.02 | 0.5128 | |
P203C | 7 | 0.966 | 0.055 |
8 | 0.966 | 0.3882 | |
9 | 0.966 | 0.5439 | |
P203V | 7 | 1.028 | 0.0161 |
8 | 1.028 | 0.5793 | |
9 | 1.028 | 0.5364 | |
T147E | 7 | 0.98 | 0.0597 |
8 | 0.98 | 0.347 | |
9 | 0.98 | 0.5303 | |
W85F | 7 | 1.03 | 0.0271 |
8 | 1.03 | 0.5306 | |
9 | 1.03 | 0.5073 | |
Lacc 6 | 7 | 0.0794 | |
8 | 0.2892 | ||
9 | 0.3396 |
Column number 1 are the models of lower energy; in column 2, are the normal mode 7–9; in the column 3 the RMSD vs. Lacc 6; and the last column shows the fraction of residues that are significantly affected by a given mode.