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The number of MFSs identified in the binding pockets of AcrB and AcrD before and during MD.
| Structure | Number of MFSs | Total number of MFSs | |||
|---|---|---|---|---|---|
| AP | DP | Interface/G-loop | |||
| AcrB | Pre-MD | 3 | 2 | 2 | 7 |
| Cluster 1 | 3 | 1 | 1 | 5 | |
| Cluster 2 | 2 | 1 | 1 | 4 | |
| Cluster 3 | 1 | 2 | 1 | 4 | |
| Cluster 4 | 2 | 1 | 1 | 4 | |
| Cluster 5 | 2 | 1 | 1 | 4 | |
| Average | 2.2 | 1.3 | 1.2 | 5 | |
| AcrD | Pre-MD | 1 | - | 1 | 2 |
| Cluster 1 | 1 | 1 | 1 | 3 | |
| Cluster 2 | 3 | - | - | 3 | |
| Cluster 3 | 3 | - | 1 | 4 | |
| Cluster 4 | 3 | - | - | 3 | |
| Cluster 5 | 3 | 1 | - | 4 | |
| Average | 2.3 | 0.3 | 0.5 | 3 | |
See Table 3 for further details.
