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| Cygbp(HE7Q) | Cygbp(3AG0) | O2Cygb(HE7Q) | O2Cygb(3AG0) | |
| Cygbh | 1.67 | 1.83 | 2.14 | 2.07 |
| Cygbp(HE7Q) | 1.55 | 1.28 | 1.75 | |
| Cygbp(3AG0) | 1.23 | 0.75 | ||
| O2Cygb(HE7Q) | 1.14 |
Rmsd (Å) between energy-minimized average structures derived from 104 snapshots taken along the last 10 ns of trajectories run for bis-histidyl hexacoordinated (Cygbh), pentacoordinated (Cygbp(HE7Q), Cygbp(3AG0)), and oxygenated (O2Cygb(HE7Q) and O2Cygb(3AG0)) species.
