NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage program type item_count
577936 2ru9 11555 cing 2-parsed STAR dihedral angle 108


data_2ru9_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2ru9 
    _Study_list.ID           1 

    loop_
        _Study.ID 
        _Study.Name 
        _Study.Type 
        _Study.Details 
        _Study.Entry_ID 
        _Study.Study_list_ID 

        1   "Conversion project"    NMR   .   parsed_2ru9   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2ru9 
    _Entry.Title                       "Original constraint list(s)" 
    _Entry.Version_type                 original 
    _Entry.Submission_date              . 
    _Entry.Accession_date               . 
    _Entry.Last_release_date            . 
    _Entry.Original_release_date        . 
    _Entry.Origination                  . 
    _Entry.NMR_STAR_version             3.1 
    _Entry.Original_NMR_STAR_version    . 
    _Entry.Experimental_method          NMR 
    _Entry.Experimental_method_subtype  . 

    loop_
        _Related_entries.Database_name 
        _Related_entries.Database_accession_code 
        _Related_entries.Relationship 
        _Related_entries.Entry_ID 

        PDB   2ru9   "Master copy"    parsed_2ru9   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2ru9 
    _Constraint_stat_list.ID           1 

    loop_
        _Constraint_file.ID 
        _Constraint_file.Constraint_filename 
        _Constraint_file.Software_ID 
        _Constraint_file.Software_label 
        _Constraint_file.Software_name 
        _Constraint_file.Block_ID 
        _Constraint_file.Constraint_type 
        _Constraint_file.Constraint_subtype 
        _Constraint_file.Constraint_subsubtype 
        _Constraint_file.Constraint_number 
        _Constraint_file.Entry_ID 
        _Constraint_file.Constraint_stat_list_ID 

        1   2ru9.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"      0   parsed_2ru9   1   
        1   2ru9.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi                 1   parsed_2ru9   1   
        1   2ru9.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              22   parsed_2ru9   1   
        1   2ru9.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"    108   parsed_2ru9   1   
        1   2ru9.mr   .   .    XPLOR/CNS     5    distance                  NOE                 ambi                 0   parsed_2ru9   1   
        1   2ru9.mr   .   .    XPLOR/CNS     6    distance                  NOE                 simple               0   parsed_2ru9   1   
        1   2ru9.mr   .   .   "MR format"    7   "nomenclature mapping"    "Not applicable"    "Not applicable"      0   parsed_2ru9   1   
    stop_

save_


save_CNS/XPLOR_dihedral_4
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2ru9 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            4 
    _Torsion_angle_constraint_list.Details            "Generated by Wattos" 

    loop_
        _Torsion_angle_constraint.ID 
        _Torsion_angle_constraint.Torsion_angle_name 
        _Torsion_angle_constraint.Assembly_atom_ID_1 
        _Torsion_angle_constraint.Entity_assembly_ID_1 
        _Torsion_angle_constraint.Entity_ID_1 
        _Torsion_angle_constraint.Comp_index_ID_1 
        _Torsion_angle_constraint.Seq_ID_1 
        _Torsion_angle_constraint.Comp_ID_1 
        _Torsion_angle_constraint.Atom_ID_1 
        _Torsion_angle_constraint.Resonance_ID_1 
        _Torsion_angle_constraint.Assembly_atom_ID_2 
        _Torsion_angle_constraint.Entity_assembly_ID_2 
        _Torsion_angle_constraint.Entity_ID_2 
        _Torsion_angle_constraint.Comp_index_ID_2 
        _Torsion_angle_constraint.Seq_ID_2 
        _Torsion_angle_constraint.Comp_ID_2 
        _Torsion_angle_constraint.Atom_ID_2 
        _Torsion_angle_constraint.Resonance_ID_2 
        _Torsion_angle_constraint.Assembly_atom_ID_3 
        _Torsion_angle_constraint.Entity_assembly_ID_3 
        _Torsion_angle_constraint.Entity_ID_3 
        _Torsion_angle_constraint.Comp_index_ID_3 
        _Torsion_angle_constraint.Seq_ID_3 
        _Torsion_angle_constraint.Comp_ID_3 
        _Torsion_angle_constraint.Atom_ID_3 
        _Torsion_angle_constraint.Resonance_ID_3 
        _Torsion_angle_constraint.Assembly_atom_ID_4 
        _Torsion_angle_constraint.Entity_assembly_ID_4 
        _Torsion_angle_constraint.Entity_ID_4 
        _Torsion_angle_constraint.Comp_index_ID_4 
        _Torsion_angle_constraint.Seq_ID_4 
        _Torsion_angle_constraint.Comp_ID_4 
        _Torsion_angle_constraint.Atom_ID_4 
        _Torsion_angle_constraint.Resonance_ID_4 
        _Torsion_angle_constraint.Angle_lower_bound_val 
        _Torsion_angle_constraint.Angle_upper_bound_val 
        _Torsion_angle_constraint.Source_experiment_ID 
        _Torsion_angle_constraint.Auth_asym_ID_1 
        _Torsion_angle_constraint.Auth_seq_ID_1 
        _Torsion_angle_constraint.Auth_comp_ID_1 
        _Torsion_angle_constraint.Auth_atom_ID_1 
        _Torsion_angle_constraint.Auth_asym_ID_2 
        _Torsion_angle_constraint.Auth_seq_ID_2 
        _Torsion_angle_constraint.Auth_comp_ID_2 
        _Torsion_angle_constraint.Auth_atom_ID_2 
        _Torsion_angle_constraint.Auth_asym_ID_3 
        _Torsion_angle_constraint.Auth_seq_ID_3 
        _Torsion_angle_constraint.Auth_comp_ID_3 
        _Torsion_angle_constraint.Auth_atom_ID_3 
        _Torsion_angle_constraint.Auth_asym_ID_4 
        _Torsion_angle_constraint.Auth_seq_ID_4 
        _Torsion_angle_constraint.Auth_comp_ID_4 
        _Torsion_angle_constraint.Auth_atom_ID_4 
        _Torsion_angle_constraint.Entry_ID 
        _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 

          1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -133    -45   .   .    2   .   C   .    3   .   N    .    3   .   CA   .    3   .   C   parsed_2ru9   1   
          2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -86    -50   .   .    3   .   C   .    4   .   N    .    4   .   CA   .    4   .   C   parsed_2ru9   1   
          3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -144    -54   .   .    8   .   C   .    9   .   N    .    9   .   CA   .    9   .   C   parsed_2ru9   1   
          4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -171    -61   .   .    9   .   C   .   10   .   N    .   10   .   CA   .   10   .   C   parsed_2ru9   1   
          5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -138    -56   .   .   10   .   C   .   11   .   N    .   11   .   CA   .   11   .   C   parsed_2ru9   1   
          6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -124    -92   .   .   11   .   C   .   12   .   N    .   12   .   CA   .   12   .   C   parsed_2ru9   1   
          7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -129    -77   .   .   12   .   C   .   13   .   N    .   13   .   CA   .   13   .   C   parsed_2ru9   1   
          8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -139    -49   .   .   13   .   C   .   14   .   N    .   14   .   CA   .   14   .   C   parsed_2ru9   1   
          9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72    -42   .   .   14   .   C   .   15   .   N    .   15   .   CA   .   15   .   C   parsed_2ru9   1   
         10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -75    -47   .   .   15   .   C   .   16   .   N    .   16   .   CA   .   16   .   C   parsed_2ru9   1   
         11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -155    -55   .   .   18   .   C   .   19   .   N    .   19   .   CA   .   19   .   C   parsed_2ru9   1   
         12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -148    -66   .   .   19   .   C   .   20   .   N    .   20   .   CA   .   20   .   C   parsed_2ru9   1   
         13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -167    -39   .   .   20   .   C   .   21   .   N    .   21   .   CA   .   21   .   C   parsed_2ru9   1   
         14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -68    -48   .   .   21   .   C   .   22   .   N    .   22   .   CA   .   22   .   C   parsed_2ru9   1   
         15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -79    -53   .   .   22   .   C   .   23   .   N    .   23   .   CA   .   23   .   C   parsed_2ru9   1   
         16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72    -58   .   .   23   .   C   .   24   .   N    .   24   .   CA   .   24   .   C   parsed_2ru9   1   
         17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -67    -53   .   .   24   .   C   .   25   .   N    .   25   .   CA   .   25   .   C   parsed_2ru9   1   
         18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72    -46   .   .   25   .   C   .   26   .   N    .   26   .   CA   .   26   .   C   parsed_2ru9   1   
         19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -74    -52   .   .   26   .   C   .   27   .   N    .   27   .   CA   .   27   .   C   parsed_2ru9   1   
         20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -76    -50   .   .   27   .   C   .   28   .   N    .   28   .   CA   .   28   .   C   parsed_2ru9   1   
         21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -86    -54   .   .   28   .   C   .   29   .   N    .   29   .   CA   .   29   .   C   parsed_2ru9   1   
         22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -127    -67   .   .   29   .   C   .   30   .   N    .   30   .   CA   .   30   .   C   parsed_2ru9   1   
         23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -128    -36   .   .   30   .   C   .   31   .   N    .   31   .   CA   .   31   .   C   parsed_2ru9   1   
         24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -124    -38   .   .   33   .   C   .   34   .   N    .   34   .   CA   .   34   .   C   parsed_2ru9   1   
         25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -169   -119   .   .   35   .   C   .   36   .   N    .   36   .   CA   .   36   .   C   parsed_2ru9   1   
         26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -162   -110   .   .   36   .   C   .   37   .   N    .   37   .   CA   .   37   .   C   parsed_2ru9   1   
         27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -134    -80   .   .   37   .   C   .   38   .   N    .   38   .   CA   .   38   .   C   parsed_2ru9   1   
         28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -129    -77   .   .   38   .   C   .   39   .   N    .   39   .   CA   .   39   .   C   parsed_2ru9   1   
         29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -151    -51   .   .   39   .   C   .   40   .   N    .   40   .   CA   .   40   .   C   parsed_2ru9   1   
         30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72    -50   .   .   40   .   C   .   41   .   N    .   41   .   CA   .   41   .   C   parsed_2ru9   1   
         31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -85    -51   .   .   41   .   C   .   42   .   N    .   42   .   CA   .   42   .   C   parsed_2ru9   1   
         32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -132    -68   .   .   42   .   C   .   43   .   N    .   43   .   CA   .   43   .   C   parsed_2ru9   1   
         33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -181    -97   .   .   44   .   C   .   45   .   N    .   45   .   CA   .   45   .   C   parsed_2ru9   1   
         34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -164    -96   .   .   45   .   C   .   46   .   N    .   46   .   CA   .   46   .   C   parsed_2ru9   1   
         35   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -133    -77   .   .   46   .   C   .   47   .   N    .   47   .   CA   .   47   .   C   parsed_2ru9   1   
         36   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -137    -89   .   .   47   .   C   .   48   .   N    .   48   .   CA   .   48   .   C   parsed_2ru9   1   
         37   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -146    -80   .   .   48   .   C   .   49   .   N    .   49   .   CA   .   49   .   C   parsed_2ru9   1   
         38   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -157   -107   .   .   49   .   C   .   50   .   N    .   50   .   CA   .   50   .   C   parsed_2ru9   1   
         39   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -161    -33   .   .   50   .   C   .   51   .   N    .   51   .   CA   .   51   .   C   parsed_2ru9   1   
         40   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -88    -60   .   .   52   .   C   .   53   .   N    .   53   .   CA   .   53   .   C   parsed_2ru9   1   
         41   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -159    -43   .   .   55   .   C   .   56   .   N    .   56   .   CA   .   56   .   C   parsed_2ru9   1   
         42   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71    -49   .   .   56   .   C   .   57   .   N    .   57   .   CA   .   57   .   C   parsed_2ru9   1   
         43   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -81    -51   .   .   57   .   C   .   58   .   N    .   58   .   CA   .   58   .   C   parsed_2ru9   1   
         44   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -79    -57   .   .   58   .   C   .   59   .   N    .   59   .   CA   .   59   .   C   parsed_2ru9   1   
         45   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -74    -56   .   .   59   .   C   .   60   .   N    .   60   .   CA   .   60   .   C   parsed_2ru9   1   
         46   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -73    -49   .   .   60   .   C   .   61   .   N    .   61   .   CA   .   61   .   C   parsed_2ru9   1   
         47   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69    -55   .   .   61   .   C   .   62   .   N    .   62   .   CA   .   62   .   C   parsed_2ru9   1   
         48   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -77    -49   .   .   62   .   C   .   63   .   N    .   63   .   CA   .   63   .   C   parsed_2ru9   1   
         49   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -71    -59   .   .   63   .   C   .   64   .   N    .   64   .   CA   .   64   .   C   parsed_2ru9   1   
         50   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70    -52   .   .   64   .   C   .   65   .   N    .   65   .   CA   .   65   .   C   parsed_2ru9   1   
         51   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69    -55   .   .   65   .   C   .   66   .   N    .   66   .   CA   .   66   .   C   parsed_2ru9   1   
         52   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -72    -48   .   .   66   .   C   .   67   .   N    .   67   .   CA   .   67   .   C   parsed_2ru9   1   
         53   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -98    -38   .   .   67   .   C   .   68   .   N    .   68   .   CA   .   68   .   C   parsed_2ru9   1   
         54   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -124    -44   .   .   69   .   C   .   70   .   N    .   70   .   CA   .   70   .   C   parsed_2ru9   1   
         55   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     77    173   .   .    3   .   N   .    3   .   CA   .    3   .   C    .    4   .   N   parsed_2ru9   1   
         56   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    123    173   .   .    4   .   N   .    4   .   CA   .    4   .   C    .    5   .   N   parsed_2ru9   1   
         57   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     93    181   .   .    9   .   N   .    9   .   CA   .    9   .   C    .   10   .   N   parsed_2ru9   1   
         58   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     91    167   .   .   10   .   N   .   10   .   CA   .   10   .   C    .   11   .   N   parsed_2ru9   1   
         59   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     94    150   .   .   11   .   N   .   11   .   CA   .   11   .   C    .   12   .   N   parsed_2ru9   1   
         60   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    102    138   .   .   12   .   N   .   12   .   CA   .   12   .   C    .   13   .   N   parsed_2ru9   1   
         61   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109    137   .   .   13   .   N   .   13   .   CA   .   13   .   C    .   14   .   N   parsed_2ru9   1   
         62   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     99    173   .   .   14   .   N   .   14   .   CA   .   14   .   C    .   15   .   N   parsed_2ru9   1   
         63   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    125    157   .   .   15   .   N   .   15   .   CA   .   15   .   C    .   16   .   N   parsed_2ru9   1   
         64   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54      2   .   .   16   .   N   .   16   .   CA   .   16   .   C    .   17   .   N   parsed_2ru9   1   
         65   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     76    178   .   .   19   .   N   .   19   .   CA   .   19   .   C    .   20   .   N   parsed_2ru9   1   
         66   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     60    152   .   .   20   .   N   .   20   .   CA   .   20   .   C    .   21   .   N   parsed_2ru9   1   
         67   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    102    212   .   .   21   .   N   .   21   .   CA   .   21   .   C    .   22   .   N   parsed_2ru9   1   
         68   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -44    -26   .   .   22   .   N   .   22   .   CA   .   22   .   C    .   23   .   N   parsed_2ru9   1   
         69   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -50    -32   .   .   23   .   N   .   23   .   CA   .   23   .   C    .   24   .   N   parsed_2ru9   1   
         70   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52    -24   .   .   24   .   N   .   24   .   CA   .   24   .   C    .   25   .   N   parsed_2ru9   1   
         71   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -53    -37   .   .   25   .   N   .   25   .   CA   .   25   .   C    .   26   .   N   parsed_2ru9   1   
         72   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -51    -33   .   .   26   .   N   .   26   .   CA   .   26   .   C    .   27   .   N   parsed_2ru9   1   
         73   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -55    -29   .   .   27   .   N   .   27   .   CA   .   27   .   C    .   28   .   N   parsed_2ru9   1   
         74   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -49    -31   .   .   28   .   N   .   28   .   CA   .   28   .   C    .   29   .   N   parsed_2ru9   1   
         75   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -47     -5   .   .   29   .   N   .   29   .   CA   .   29   .   C    .   30   .   N   parsed_2ru9   1   
         76   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -43     41   .   .   30   .   N   .   30   .   CA   .   30   .   C    .   31   .   N   parsed_2ru9   1   
         77   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    109    143   .   .   31   .   N   .   31   .   CA   .   31   .   C    .   32   .   N   parsed_2ru9   1   
         78   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    117    159   .   .   34   .   N   .   34   .   CA   .   34   .   C    .   35   .   N   parsed_2ru9   1   
         79   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    141    159   .   .   36   .   N   .   36   .   CA   .   36   .   C    .   37   .   N   parsed_2ru9   1   
         80   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    114    148   .   .   37   .   N   .   37   .   CA   .   37   .   C    .   38   .   N   parsed_2ru9   1   
         81   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    106    140   .   .   38   .   N   .   38   .   CA   .   38   .   C    .   39   .   N   parsed_2ru9   1   
         82   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     93    133   .   .   39   .   N   .   39   .   CA   .   39   .   C    .   40   .   N   parsed_2ru9   1   
         83   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     61    171   .   .   40   .   N   .   40   .   CA   .   40   .   C    .   41   .   N   parsed_2ru9   1   
         84   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -55     -1   .   .   41   .   N   .   41   .   CA   .   41   .   C    .   42   .   N   parsed_2ru9   1   
         85   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52      2   .   .   42   .   N   .   42   .   CA   .   42   .   C    .   43   .   N   parsed_2ru9   1   
         86   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -18     26   .   .   43   .   N   .   43   .   CA   .   43   .   C    .   44   .   N   parsed_2ru9   1   
         87   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    132    182   .   .   45   .   N   .   45   .   CA   .   45   .   C    .   46   .   N   parsed_2ru9   1   
         88   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     89    173   .   .   46   .   N   .   46   .   CA   .   46   .   C    .   47   .   N   parsed_2ru9   1   
         89   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    105    141   .   .   47   .   N   .   47   .   CA   .   47   .   C    .   48   .   N   parsed_2ru9   1   
         90   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110    142   .   .   48   .   N   .   48   .   CA   .   48   .   C    .   49   .   N   parsed_2ru9   1   
         91   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    104    164   .   .   49   .   N   .   49   .   CA   .   49   .   C    .   50   .   N   parsed_2ru9   1   
         92   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    129    181   .   .   50   .   N   .   50   .   CA   .   50   .   C    .   51   .   N   parsed_2ru9   1   
         93   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     92    154   .   .   51   .   N   .   51   .   CA   .   51   .   C    .   52   .   N   parsed_2ru9   1   
         94   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -47      9   .   .   53   .   N   .   53   .   CA   .   53   .   C    .   54   .   N   parsed_2ru9   1   
         95   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    132    192   .   .   56   .   N   .   56   .   CA   .   56   .   C    .   57   .   N   parsed_2ru9   1   
         96   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52    -22   .   .   57   .   N   .   57   .   CA   .   57   .   C    .   58   .   N   parsed_2ru9   1   
         97   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52    -34   .   .   58   .   N   .   58   .   CA   .   58   .   C    .   59   .   N   parsed_2ru9   1   
         98   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -52    -20   .   .   59   .   N   .   59   .   CA   .   59   .   C    .   60   .   N   parsed_2ru9   1   
         99   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54    -34   .   .   60   .   N   .   60   .   CA   .   60   .   C    .   61   .   N   parsed_2ru9   1   
        100   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -49    -29   .   .   61   .   N   .   61   .   CA   .   61   .   C    .   62   .   N   parsed_2ru9   1   
        101   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -50    -32   .   .   62   .   N   .   62   .   CA   .   62   .   C    .   63   .   N   parsed_2ru9   1   
        102   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -51    -25   .   .   63   .   N   .   63   .   CA   .   63   .   C    .   64   .   N   parsed_2ru9   1   
        103   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -50    -36   .   .   64   .   N   .   64   .   CA   .   64   .   C    .   65   .   N   parsed_2ru9   1   
        104   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -48    -32   .   .   65   .   N   .   65   .   CA   .   65   .   C    .   66   .   N   parsed_2ru9   1   
        105   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54    -28   .   .   66   .   N   .   66   .   CA   .   66   .   C    .   67   .   N   parsed_2ru9   1   
        106   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -54    -22   .   .   67   .   N   .   67   .   CA   .   67   .   C    .   68   .   N   parsed_2ru9   1   
        107   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -62    -14   .   .   68   .   N   .   68   .   CA   .   68   .   C    .   69   .   N   parsed_2ru9   1   
        108   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -56     20   .   .   70   .   N   .   70   .   CA   .   70   .   C    .   71   .   N   parsed_2ru9   1   
    stop_


    loop_
        _TA_constraint_comment_org.ID 
        _TA_constraint_comment_org.Comment_text 
        _TA_constraint_comment_org.Comment_begin_line 
        _TA_constraint_comment_org.Comment_begin_column 
        _TA_constraint_comment_org.Comment_end_line 
        _TA_constraint_comment_org.Comment_end_column 
        _TA_constraint_comment_org.Entry_ID 
        _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 

          1   
;
phi and psi dihedral restraint file generated by Talos2Aria.py

TALOS filename:
pred.tab

settings: min phiError=None, min psiError=None, errorFactor=2.0

Talos derived phi restraint:
;
     1   1     9   31   parsed_2ru9   1   
          2   "Talos derived phi restraint:"     16   1    16   31   parsed_2ru9   1   
          3   "Talos derived phi restraint:"     23   1    23   31   parsed_2ru9   1   
          4   "Talos derived phi restraint:"     30   1    30   31   parsed_2ru9   1   
          5   "Talos derived phi restraint:"     37   1    37   31   parsed_2ru9   1   
          6   "Talos derived phi restraint:"     44   1    44   31   parsed_2ru9   1   
          7   "Talos derived phi restraint:"     51   1    51   31   parsed_2ru9   1   
          8   "Talos derived phi restraint:"     58   1    58   31   parsed_2ru9   1   
          9   "Talos derived phi restraint:"     65   1    65   31   parsed_2ru9   1   
         10   "Talos derived phi restraint:"     72   1    72   31   parsed_2ru9   1   
         11   "Talos derived phi restraint:"     79   1    79   31   parsed_2ru9   1   
         12   "Talos derived phi restraint:"     86   1    86   31   parsed_2ru9   1   
         13   "Talos derived phi restraint:"     93   1    93   31   parsed_2ru9   1   
         14   "Talos derived phi restraint:"    100   1   100   31   parsed_2ru9   1   
         15   "Talos derived phi restraint:"    107   1   107   31   parsed_2ru9   1   
         16   "Talos derived phi restraint:"    114   1   114   31   parsed_2ru9   1   
         17   "Talos derived phi restraint:"    121   1   121   31   parsed_2ru9   1   
         18   "Talos derived phi restraint:"    128   1   128   31   parsed_2ru9   1   
         19   "Talos derived phi restraint:"    135   1   135   31   parsed_2ru9   1   
         20   "Talos derived phi restraint:"    142   1   142   31   parsed_2ru9   1   
         21   "Talos derived phi restraint:"    149   1   149   31   parsed_2ru9   1   
         22   "Talos derived phi restraint:"    156   1   156   31   parsed_2ru9   1   
         23   "Talos derived phi restraint:"    163   1   163   31   parsed_2ru9   1   
         24   "Talos derived phi restraint:"    170   1   170   31   parsed_2ru9   1   
         25   "Talos derived phi restraint:"    177   1   177   31   parsed_2ru9   1   
         26   "Talos derived phi restraint:"    184   1   184   31   parsed_2ru9   1   
         27   "Talos derived phi restraint:"    191   1   191   31   parsed_2ru9   1   
         28   "Talos derived phi restraint:"    198   1   198   31   parsed_2ru9   1   
         29   "Talos derived phi restraint:"    205   1   205   31   parsed_2ru9   1   
         30   "Talos derived phi restraint:"    212   1   212   31   parsed_2ru9   1   
         31   "Talos derived phi restraint:"    219   1   219   31   parsed_2ru9   1   
         32   "Talos derived phi restraint:"    226   1   226   31   parsed_2ru9   1   
         33   "Talos derived phi restraint:"    233   1   233   31   parsed_2ru9   1   
         34   "Talos derived phi restraint:"    240   1   240   31   parsed_2ru9   1   
         35   "Talos derived phi restraint:"    247   1   247   31   parsed_2ru9   1   
         36   "Talos derived phi restraint:"    254   1   254   31   parsed_2ru9   1   
         37   "Talos derived phi restraint:"    261   1   261   31   parsed_2ru9   1   
         38   "Talos derived phi restraint:"    268   1   268   31   parsed_2ru9   1   
         39   "Talos derived phi restraint:"    275   1   275   31   parsed_2ru9   1   
         40   "Talos derived phi restraint:"    282   1   282   31   parsed_2ru9   1   
         41   "Talos derived phi restraint:"    289   1   289   31   parsed_2ru9   1   
         42   "Talos derived phi restraint:"    296   1   296   31   parsed_2ru9   1   
         43   "Talos derived phi restraint:"    303   1   303   31   parsed_2ru9   1   
         44   "Talos derived phi restraint:"    310   1   310   31   parsed_2ru9   1   
         45   "Talos derived phi restraint:"    317   1   317   31   parsed_2ru9   1   
         46   "Talos derived phi restraint:"    324   1   324   31   parsed_2ru9   1   
         47   "Talos derived phi restraint:"    331   1   331   31   parsed_2ru9   1   
         48   "Talos derived phi restraint:"    338   1   338   31   parsed_2ru9   1   
         49   "Talos derived phi restraint:"    345   1   345   31   parsed_2ru9   1   
         50   "Talos derived phi restraint:"    352   1   352   31   parsed_2ru9   1   
         51   "Talos derived phi restraint:"    359   1   359   31   parsed_2ru9   1   
         52   "Talos derived phi restraint:"    366   1   366   31   parsed_2ru9   1   
         53   "Talos derived phi restraint:"    373   1   373   31   parsed_2ru9   1   
         54   "Talos derived phi restraint:"    380   1   380   31   parsed_2ru9   1   
         55   "Talos derived psi restraint:"    387   1   387   31   parsed_2ru9   1   
         56   "Talos derived psi restraint:"    394   1   394   31   parsed_2ru9   1   
         57   "Talos derived psi restraint:"    401   1   401   31   parsed_2ru9   1   
         58   "Talos derived psi restraint:"    408   1   408   31   parsed_2ru9   1   
         59   "Talos derived psi restraint:"    415   1   415   31   parsed_2ru9   1   
         60   "Talos derived psi restraint:"    422   1   422   31   parsed_2ru9   1   
         61   "Talos derived psi restraint:"    429   1   429   31   parsed_2ru9   1   
         62   "Talos derived psi restraint:"    436   1   436   31   parsed_2ru9   1   
         63   "Talos derived psi restraint:"    443   1   443   31   parsed_2ru9   1   
         64   "Talos derived psi restraint:"    450   1   450   31   parsed_2ru9   1   
         65   "Talos derived psi restraint:"    457   1   457   31   parsed_2ru9   1   
         66   "Talos derived psi restraint:"    464   1   464   31   parsed_2ru9   1   
         67   "Talos derived psi restraint:"    471   1   471   31   parsed_2ru9   1   
         68   "Talos derived psi restraint:"    478   1   478   31   parsed_2ru9   1   
         69   "Talos derived psi restraint:"    485   1   485   31   parsed_2ru9   1   
         70   "Talos derived psi restraint:"    492   1   492   31   parsed_2ru9   1   
         71   "Talos derived psi restraint:"    499   1   499   31   parsed_2ru9   1   
         72   "Talos derived psi restraint:"    506   1   506   31   parsed_2ru9   1   
         73   "Talos derived psi restraint:"    513   1   513   31   parsed_2ru9   1   
         74   "Talos derived psi restraint:"    520   1   520   31   parsed_2ru9   1   
         75   "Talos derived psi restraint:"    527   1   527   31   parsed_2ru9   1   
         76   "Talos derived psi restraint:"    534   1   534   31   parsed_2ru9   1   
         77   "Talos derived psi restraint:"    541   1   541   31   parsed_2ru9   1   
         78   "Talos derived psi restraint:"    548   1   548   31   parsed_2ru9   1   
         79   "Talos derived psi restraint:"    555   1   555   31   parsed_2ru9   1   
         80   "Talos derived psi restraint:"    562   1   562   31   parsed_2ru9   1   
         81   "Talos derived psi restraint:"    569   1   569   31   parsed_2ru9   1   
         82   "Talos derived psi restraint:"    576   1   576   31   parsed_2ru9   1   
         83   "Talos derived psi restraint:"    583   1   583   31   parsed_2ru9   1   
         84   "Talos derived psi restraint:"    590   1   590   31   parsed_2ru9   1   
         85   "Talos derived psi restraint:"    597   1   597   31   parsed_2ru9   1   
         86   "Talos derived psi restraint:"    604   1   604   31   parsed_2ru9   1   
         87   "Talos derived psi restraint:"    611   1   611   31   parsed_2ru9   1   
         88   "Talos derived psi restraint:"    618   1   618   31   parsed_2ru9   1   
         89   "Talos derived psi restraint:"    625   1   625   31   parsed_2ru9   1   
         90   "Talos derived psi restraint:"    632   1   632   31   parsed_2ru9   1   
         91   "Talos derived psi restraint:"    639   1   639   31   parsed_2ru9   1   
         92   "Talos derived psi restraint:"    646   1   646   31   parsed_2ru9   1   
         93   "Talos derived psi restraint:"    653   1   653   31   parsed_2ru9   1   
         94   "Talos derived psi restraint:"    660   1   660   31   parsed_2ru9   1   
         95   "Talos derived psi restraint:"    667   1   667   31   parsed_2ru9   1   
         96   "Talos derived psi restraint:"    674   1   674   31   parsed_2ru9   1   
         97   "Talos derived psi restraint:"    681   1   681   31   parsed_2ru9   1   
         98   "Talos derived psi restraint:"    688   1   688   31   parsed_2ru9   1   
         99   "Talos derived psi restraint:"    695   1   695   31   parsed_2ru9   1   
        100   "Talos derived psi restraint:"    702   1   702   31   parsed_2ru9   1   
        101   "Talos derived psi restraint:"    709   1   709   31   parsed_2ru9   1   
        102   "Talos derived psi restraint:"    716   1   716   31   parsed_2ru9   1   
        103   "Talos derived psi restraint:"    723   1   723   31   parsed_2ru9   1   
        104   "Talos derived psi restraint:"    730   1   730   31   parsed_2ru9   1   
        105   "Talos derived psi restraint:"    737   1   737   31   parsed_2ru9   1   
        106   "Talos derived psi restraint:"    744   1   744   31   parsed_2ru9   1   
        107   "Talos derived psi restraint:"    751   1   751   31   parsed_2ru9   1   
        108   "Talos derived psi restraint:"    758   1   758   31   parsed_2ru9   1   
    stop_

save_





Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Thursday, July 4, 2024 9:47:56 PM GMT (wattos1)