PDBx/mmCIF
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Data Category ihm_multi_state_modeling

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General

Category name
ihm_multi_state_modeling
Required in PDB entries
no
Category group membership
ihm_group
Used in current PDB entries
No

Category Relationship Diagrams

70
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Category Description 

               Data items in the IHM_MULTI_STATE_MODELING category records the
               details of the multi-state modeling protocol, if applicable.

Category Examples

3

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Category Example1

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    loop_
    _ihm_multi_state_modeling.state_id 
    _ihm_multi_state_modeling.state_group_id 
    _ihm_multi_state_modeling.population_fraction  
    _ihm_multi_state_modeling.state_type
    _ihm_multi_state_modeling.state_name 
    _ihm_multi_state_modeling.experiment_type
    _ihm_multi_state_modeling.details

         1   1   0.5  'conformational change'  'open'         'Fraction of bulk' 'open state ensemble 1'
         2   1   0.5  'conformational change'  'closed'       'Fraction of bulk' 'closed state ensemble 2'

Category Example2

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    loop_
    _ihm_multi_state_modeling.state_id
    _ihm_multi_state_modeling.state_group_id 
    _ihm_multi_state_modeling.population_fraction
    _ihm_multi_state_modeling.state_type 
    _ihm_multi_state_modeling.state_name
    _ihm_multi_state_modeling.experiment_type
    _ihm_multi_state_modeling.details

         1   1   0.25  'ligand binding'    'unbound'    'Fraction of bulk' 'unbound'
         2   1   0.75  'ligand binding'    'bound'      'Fraction of bulk' 'bound to heme'

Category Example3

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    loop_
    _ihm_multi_state_modeling.state_id  
    _ihm_multi_state_modeling.state_group_id
    _ihm_multi_state_modeling.population_fraction
    _ihm_multi_state_modeling.state_type
    _ihm_multi_state_modeling.state_name
    _ihm_multi_state_modeling.experiment_type
    _ihm_multi_state_modeling.details

         1   1   .  'complex formation'    'unbound'      'Fraction of bulk'    'unbound molecule 1'
         2   1   .  'complex formation'    'unbound'      'Fraction of bulk'    'unbound molecule 2'
         3   1   .  'complex formation'    'bound'        'Fraction of bulk'    'bound molecules 1 and 2'

Key Data Items

Category Data Items

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