Out-of-Plane Heme Deformations...  

The out-of-plane deformations of the hemes in the PDB are obtained from the search engine below.  In-plane deformations (available here) are generally small and less statistically significant.  (See this Biophys. J. reference for a description of the NSD method as applied to heme proteins.)

Instructions:  If you know the PDB codes for the hemeprotein structure of interest, just enter the code into the text box below and submit to retrieve the NSD deformations (in Å) for the lowest-frequency out-of-plane modes.    For additional NSD results for your protein, enter one of the basis keywords into the second text box (default = minimum).  You can search here for the PDB code.  If the NSD results are not available you can use the NSD computation engine.

    Basis keywords:

• miminum - Gives deformations for the lowest-frequency modes (static or chime structures).
• extended - Gives deformations of the lowest-frequency modes for a basis that also includes the next-to-lowest-frequency (second order) normal modes.
• second order - Gives deformations of the next-to-lowest-frequency modes (static  or chime images) of the extended basis.
• complete - Gives the total deformation of each symmetry type.

*[1-Å deformations along the lowest-frequency out of plane modes are illustrated in the table.]
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