Heme

Heme

Heme

Heme

Heme

Heme

Heme

Heme

Histidine heme ligand orientations

File deposit for the first heme survey paper,
Fufezan et al. (2008): Ligand preference and orientation in b- and c-type heme-binding proteins.

• Dunbrack PISCES input and ouput files
• Overview and Summary of the PISCES output
• CHARMM trajectories (1GU2, chain A, heme ID 125)

Quicktime movie of one CHARMM simulations (attached)

Quicktime movie of one CHARMM simulations (detached)

It started of all so naive ...