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Category chem_comp_angle
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Category Description
Data items in the CHEM_COMP_ANGLE category record details about
angles in a chemical component. Angles are designated by three
atoms, with the second atom forming the vertex of the angle.
Target values may be specified as angles in degrees, as a
distance between the first and third atoms, or both.
Category Examples
Example 1:
Example 1 - based on PDB entry 5HVP and laboratory records for the
structure corresponding to PDB entry 5HVP
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_dist
phe N CA C xxx.xx x.xx
phe CA C O xxx.xx x.xx
phe CB CA C xxx.xx x.xx
phe CB CA N xxx.xx x.xx
phe CA CB CG xxx.xx x.xx
phe CB CG CD1 xxx.xx x.xx
phe CB CG CD2 xxx.xx x.xx
phe CD1 CG CD2 xxx.xx x.xx
phe CG CD1 CE1 xxx.xx x.xx
phe CD1 CE1 CZ xxx.xx x.xx
phe CE1 CZ CE2 xxx.xx x.xx
phe CZ CE2 CD2 xxx.xx x.xx
phe CG CD2 CE2 xxx.xx x.xx
val N CA C xxx.xx x.xx
val CA C O xxx.xx x.xx
val CB CA C xxx.xx x.xx
val CB CA N xxx.xx x.xx
val CA CB CG1 xxx.xx x.xx
val CA CB CG2 xxx.xx x.xx
val CG1 CB CG2 xxx.xx x.xx
Key Category Items
Items in Category chem_comp_angle
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