PDBx/mmCIF
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Data Category ihm_predicted_contact_restraint

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General

Category name
ihm_predicted_contact_restraint
Required in PDB entries
no
Category group membership
ihm_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 IHM_PREDICTED_CONTACT_RESTRAINT category records the
               list of predicted contacts used in the integrative modeling experiment. 
               This has been adapted from the widely used CASP RR format 
               (http://www.predictioncenter.org/casp8/index.cgi?page=format#RR). 
               These contacts may be derived from various computational tools. 
               The software information can be provided in the SOFTWARE category.

Category Example

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        loop_
        _ihm_predicted_contact_restraint.id
        _ihm_predicted_contact_restraint.entity_id_1
        _ihm_predicted_contact_restraint.asym_id_1
        _ihm_predicted_contact_restraint.seq_id_1
        _ihm_predicted_contact_restraint.comp_id_1
        _ihm_predicted_contact_restraint.rep_atom_1
        _ihm_predicted_contact_restraint.entity_id_2
        _ihm_predicted_contact_restraint.asym_id_2
        _ihm_predicted_contact_restraint.seq_id_2
        _ihm_predicted_contact_restraint.comp_id_2
        _ihm_predicted_contact_restraint.rep_atom_2
        _ihm_predicted_contact_restraint.restraint_type
        _ihm_predicted_contact_restraint.distance_upper_limit
        _ihm_predicted_contact_restraint.probability
        _ihm_predicted_contact_restraint.model_granularity
        _ihm_predicted_contact_restraint.dataset_list_id
        _ihm_predicted_contact_restraint.software_id
          1  3  C   17  LYS  CB  3  C  421  GLU  CB  'upper bound'  8.0  0.8  'by-atom'  1  1
          2  3  C  206  LYS  CB  3  C  219  ASP  CB  'upper bound'  8.0  0.5  'by-atom'  1  1
          3  3  C   38  LYS  CB  3  C  429  GLU  CB  'upper bound'  8.0  0.8  'by-atom'  1  1
          4  3  C  400  LYS  CB  3  C  440  GLU  CB  'upper bound'  8.0  0.6  'by-atom'  1  1
          5  3  C  400  LYS  CB  3  C  441  GLU  CB  'upper bound'  8.0  0.7  'by-atom'  1  1
          6  3  C  400  LYS  CB  3  C  523  ASP  CB  'upper bound'  8.0  0.7  'by-atom'  1  1
          7  3  C  735  LYS  CB  3  C  403  ASP  CB  'upper bound'  8.0  0.5  'by-atom'  1  1
          8  3  C  735  LYS  CB  3  C  405  GLU  CB  'upper bound'  8.0  0.5  'by-atom'  1  1
          9  3  C  865  LYS  CB  3  C  894  GLU  CB  'upper bound'  8.0  0.9  'by-atom'  1  1
         10  3  C  865  LYS  CB  3  C  898  ASP  CB  'upper bound'  8.0  0.5  'by-atom'  1  1
         11  4  D  103  LYS  CB  4  D  130  ASP  CB  'upper bound'  8.0  0.7  'by-atom'  1  1
         12  4  D  103  LYS  CB  4  D  131  GLU  CB  'upper bound'  8.0  0.3  'by-atom'  1  1
         # ...  abbreviated ...

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