Description of atomistic simulations performed of ζ-ζ dimer
| System . | Protonation/mutation state . | Total atoms . | Simulation time . |
|---|---|---|---|
| Mouse S1, S2, S3 | AspH-Asp, I46, Y50, A53 | 31,633/31,669/31,711 | 3× 1 μs |
| Human S1, S2, S3 | AspH-Asp, L46, F50, V53 | 31,632/31,733/31,724 | 3× 1 μs |
| System . | Protonation/mutation state . | Total atoms . | Simulation time . |
|---|---|---|---|
| Mouse S1, S2, S3 | AspH-Asp, I46, Y50, A53 | 31,633/31,669/31,711 | 3× 1 μs |
| Human S1, S2, S3 | AspH-Asp, L46, F50, V53 | 31,632/31,733/31,724 | 3× 1 μs |