Table 2. Estimates of averages for different MDS analysis parameters.
| Details of the complexes | Average (nm) | ||||
|---|---|---|---|---|---|
| RMSD in backbone atoms | RMSD in UNK atoms | RMSF | Gyrate | SASA | |
| CATALASE PEROXIDASES 2 (apo) | 0.3458 (0.0656) | - | 0.1670 (0.1416) | 2.8406 (0.0107) | 322.9365 (4.7790) |
| CATALASE PEROXIDASES 2 (Azoxystrobin) | 0.3796 (0.0419) | 0.1831 (0.0333) | 0.1854 (0.1626) | 2.8545 (0.0138) | 321.6773 (4.6042) |
| CATALASE PEROXIDASES 2 (1-Coumaroylquinic acid) | 0.6065 (0.1155) | 0.05755 (0.0113) | 0.1859 (0.1519) | 2.9124 (0.0236) | 329.2893 (5.5271) |
| HYBRID PKS-NRPS SYNTHETASE TAS1 (apo) | 02215 (0.0250) | - | 0.1140 (0.0825) | 2.1800 (0.0072) | 322.6027 (4.8412) |
| HYBRID PKS-NRPS SYNTHETASE TAS1 (Azoxystrobin) | 0.2659 (0.02217) | 0.1944 (0.0296) | 0.1151 (0.0851) | 2.1714 (0.0067) | 325.6557 (5.3237) |
| HYBRID PKS-NRPS SYNTHETASE TAS1 (Rosmarinic acid) | 0.2253 (0.0220) | 0.1648 (0.0292) | 0.1111 (0.0787) | 2.1351 (0.0077) | 319.1804 (5.3598) |
| MANGANESE LIPOXYGENASE (apo) | 0.1322 (0.0254) | - | 0.1112 (0.0608) | 2.4601 (0.0080) | 228.1651 (4.1517) |
| MANGANESE LIPOXYGENASE (Azoxystrobin) | 0.1277 (0.0088) | 0.2074 (0.0175) | 0.1031 (0.0518) | 2.4678 (0.0061) | 231.9011 (2.9584) |
| MANGANESE LIPOXYGENASE (Rosmarinic acid) | 0.1111 (0.0113) | 0.0930 (0.0235) | 0.1124 (0.0578) | 2.4578 (0.0071) | 229.2028 (3.5457) |
| PRE-MRNA-SPLICING FACTOR CEF1 (apo) | 0.3250 (0.1023) | - | 0.2948 (0.1207) | 1.6117 (0.0626) | 75.2769 (1.6012) |
| PRE-MRNA-SPLICING FACTOR CEF1 (Azoxystrobin) | 0.3516 (0.1172) | 0.2472 (0.0319) | 0.5843 (0.1857) | 1.6853 (0.0511) | 76.8776 (2.0944) |
| PRE-MRNA-SPLICING FACTOR CEF1 (Myricetin) | 0.322 (0.0822) | 0.1117 (0.04987) | 0.2571 (0.0992) | 1.6667 (0.0360) | 76.9609 (2.0344) |
Standard deviations in average values are given in parentheses