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. 2023 Feb 11;24(4):3651. doi: 10.3390/ijms24043651

Figure 10.

Figure 10

Top: RMSF values for residues of the protein of CYP1A1 (a) and CYP1A2 (b) during a 1 μs MD simulation. Specific residues and chains lining the substrate-binging pocket are highlighted. Bottom: Frequency of encountering amino acid residues with 5 Å from the substrate in the MD snapshots.