Data Category atom_sites_alt_ens
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General 
- Category name
- atom_sites_alt_ens
- Required in PDB entries
- no
- Category group membership
- atom_group
- Used in current PDB entries
- No
Category Relationship Diagrams 
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Category Description
Data items in the ATOM_SITES_ALT_ENS category record details
about the ensemble structure generated from atoms with various
alternative conformation ids.
Category Example
loop_
_atom_sites_alt_ens.id
_atom_sites_alt_ens.details
'Ensemble 1-A'
; The inhibitor binds to the enzyme in two, roughly twofold symmetric,
alternative conformations.
This conformational ensemble includes the more populated conformation of
the inhibitor (id=1) and the amino acid side chains and solvent structure
that correlate with this inhibitor conformation.
Also included are one set (id=3) of side chains with alternative
conformations when the conformations are not correlated with the
inhibitor conformation.
;
'Ensemble 1-B'
; The inhibitor binds to the enzyme in two, roughly twofold symmetric
alternative conformations.
This conformational ensemble includes the more populated conformation of
the inhibitor (id=1) and the amino acid side chains and solvent structure
that correlate with this inhibitor conformation.
Also included are one set (id=4) of side chains with alternative
conformations when the conformations are not correlated with the
inhibitor conformation.
;
'Ensemble 2-A'
; The inhibitor binds to the enzyme in two, roughly twofold symmetric
alternative conformations.
This conformational ensemble includes the less populated conformation of
the inhibitor (id=2) and the amino acid side chains and solvent structure
that correlate with this inhibitor conformation.
Also included are one set (id=3) of side chains with alternative
conformations when the conformations are not correlated with the
inhibitor conformation.
;
'Ensemble 2-B'
; The inhibitor binds to the enzyme in two, roughly twofold symmetric
alternative conformations.
This conformational ensemble includes the less populated conformation of
the inhibitor (id=2) and the amino acid side chains and solvent structure
that correlate with this inhibitor conformation.
Also included are one set (id=4) of side chains with alternative
conformations when the conformations are not correlated with the
inhibitor conformation.
;
