Data Category atom_sites_alt

General

Category name
atom_sites_alt
Required in PDB entries
no
Category group membership
atom_group
Used in current PDB entries
No

Category Relationship Diagrams

70
View full category relationship diagram including all dictionary data categories

Category Description

               Data items in the ATOM_SITES_ALT category record details
               about the structural ensembles that should be generated from
               atom sites or groups of atom sites that are modeled in
               alternative conformations in this data block.

Category Example

 
     loop_
    _atom_sites_alt.id
    _atom_sites_alt.details
     '.'
    ; Atom sites with the alternative id set to null are not modeled in
      alternative conformations
    ;
     '1'
    ; Atom sites with the alternative id set to 1 have been modeled in
      alternative conformations with respect to atom sites marked with
      alternative id 2. The conformations of amino acid side chains
      and solvent atoms with alternative id set to 1 correlate with the
      conformation of the inhibitor marked with alternative id 1. They
      have been given an occupancy of 0.58 to match the occupancy assigned
      to the inhibitor.
    ;
     '2'
    ; Atom sites with the alternative id set to 2 have been modeled in
      alternative conformations with respect to atom sites marked with
      alternative id 1. The conformations of amino acid side chains
      and solvent atoms with alternative id set to 2 correlate with the
      conformation of the inhibitor marked with alternative id 2. They
      have been given an occupancy of 0.42 to match the occupancy assigned
      to the inhibitor.
    ;
     '3'
    ; Atom sites with the alternative id set to 3 have been modeled in
      alternative conformations with respect to atoms marked with alternative
      id 4. The conformations of amino acid side chains and solvent atoms with
      alternative id set to 3 do not correlate with the conformation of the
      inhibitor. These atom sites have arbitrarily been given an occupancy of
      0.50.
    ;
     '4'
    ; Atom sites with the alternative id set to 4 have been modeled in
      alternative conformations with respect to atoms marked with alternative
      id 3. The conformations of amino acid side chains and solvent atoms with
      alternative id set to 4 do not correlate with the conformation of the
      inhibitor. These atom sites have arbitrarily been given an occupancy of
      0.50.
    ;

Key Data Items