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Category atom_sites_alt
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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 Examples
Example 1:
Example 1 - based on PDB entry 5HVP and laboratory records for the
structure corresponding to PDB entry 5HVP
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 Category Items
Items in Category atom_sites_alt
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