Table 3.
Comparison of experiment and simulations for longitudinal and lateral filament contacts (errors represent standard deviations)
| Residue ID | Cryo-EM results (change in distance upon cofilin binding) | Equilibrium Distance (Å) Bare filament | Equilibrium Distance (Å) Cofilactin | Exp vs. MD | |
|---|---|---|---|---|---|
| Longitudinal Contact | |||||
| 1. D-loop vs. C-term | 41vs.374 | Increase | 13.09±1.5 | 22.02±4.22 | Agree |
| 61 vs. 374 | Increase | 23.29±1.24 | 25.68±2.12 | Agree | |
| 45 vs. 370 | Decrease | 14.85±2.09 | 18.65±2.87 | No | |
| 2. D-loopvs. SD1 | 45 vs. 169 | Increase | 9.74±1.74 | 13.93±4.24 | Agree |
| 61 vs. 169 | Increase | 12.78±1.4 | 16.70±2.57 | Agree | |
| 3. D-loop vs. SD3 | 62 vs. 288 | Increase | 7.52±1.13 | 13.38±2.37 | Agree |
| 4. SD4 vs. SD3 | 205 vs. 286 | Unchanged | 9.29±0.53 | 12.69±2.2 | No |
| 241 vs. 322 | Unchanged | 11.03±1.76 | 12.73±1.93 | Agree | |
| Lateral Contact | |||||
| 1. H-plug vs. C-term | 265 vs. 374 | Increase | 20.13±1.15 | 23.38±2.15 | Agree |