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
618900 5y0j 36107 cing 2-parsed STAR dihedral angle 34


data_5y0j_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_5y0j 
    _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_5y0j   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_5y0j 
    _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   5y0j   "Master copy"    parsed_5y0j   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_5y0j 
    _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   5y0j.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"     0   parsed_5y0j   1   
        1   5y0j.mr   .   .    XPLOR/CNS     2    distance                  NOE                 ambi               72   parsed_5y0j   1   
        1   5y0j.mr   .   .    XPLOR/CNS     3    distance                 "hydrogen bond"      simple              7   parsed_5y0j   1   
        1   5y0j.mr   .   .    XPLOR/CNS     4   "dihedral angle"          "Not applicable"    "Not applicable"    34   parsed_5y0j   1   
        1   5y0j.mr   .   .    XPLOR/CNS     5    distance                  NOE                 ambi                0   parsed_5y0j   1   
        1   5y0j.mr   .   .   "MR format"    6   "nomenclature mapping"    "Not applicable"    "Not applicable"     0   parsed_5y0j   1   
    stop_

save_


save_CNS/XPLOR_dihedral_4
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_5y0j 
    _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   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.00    -80.56   .   "   A"     2   .   C   "   A"     3   .   N    "   A"     3   .   CA   "   A"     3   .   C   parsed_5y0j   1   
         2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00    172.20   .   "   A"     3   .   N   "   A"     3   .   CA   "   A"     3   .   C    "   A"     4   .   N   parsed_5y0j   1   
         3   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -170.00   -103.90   .   "   A"     3   .   C   "   A"     4   .   N    "   A"     4   .   CA   "   A"     4   .   C   parsed_5y0j   1   
         4   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110.00    198.84   .   "   A"     4   .   N   "   A"     4   .   CA   "   A"     4   .   C    "   A"     5   .   N   parsed_5y0j   1   
         5   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.00    -48.74   .   "   A"     4   .   C   "   A"     5   .   N    "   A"     5   .   CA   "   A"     5   .   C   parsed_5y0j   1   
         6   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00    151.72   .   "   A"     5   .   N   "   A"     5   .   CA   "   A"     5   .   C    "   A"     6   .   N   parsed_5y0j   1   
         7   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.00    -89.52   .   "   A"     5   .   C   "   A"     6   .   N    "   A"     6   .   CA   "   A"     6   .   C   parsed_5y0j   1   
         8   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00    150.36   .   "   A"     6   .   N   "   A"     6   .   CA   "   A"     6   .   C    "   A"     7   .   N   parsed_5y0j   1   
         9   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.00    -77.66   .   "   A"     6   .   C   "   A"     7   .   N    "   A"     7   .   CA   "   A"     7   .   C   parsed_5y0j   1   
        10   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00    169.74   .   "   A"     7   .   N   "   A"     7   .   CA   "   A"     7   .   C    "   A"     8   .   N   parsed_5y0j   1   
        11   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.00    -89.66   .   "   A"     7   .   C   "   A"     8   .   N    "   A"     8   .   CA   "   A"     8   .   C   parsed_5y0j   1   
        12   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110.00    167.88   .   "   A"     8   .   N   "   A"     8   .   CA   "   A"     8   .   C    "   A"     9   .   N   parsed_5y0j   1   
        13   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.00    -76.02   .   "   A"     8   .   C   "   A"     9   .   N    "   A"     9   .   CA   "   A"     9   .   C   parsed_5y0j   1   
        14   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00    170.18   .   "   A"     9   .   N   "   A"     9   .   CA   "   A"     9   .   C    "   A"    10   .   N   parsed_5y0j   1   
        15   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.00    -59.52   .   "   A"     9   .   C   "   A"    10   .   N    "   A"    10   .   CA   "   A"    10   .   C   parsed_5y0j   1   
        16   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     80.00    153.06   .   "   A"    10   .   N   "   A"    10   .   CA   "   A"    10   .   C    "   A"    11   .   N   parsed_5y0j   1   
        17   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     40.00     70.00   .   "   A"    10   .   C   "   A"    11   .   N    "   A"    11   .   CA   "   A"    11   .   C   parsed_5y0j   1   
        18   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     20.00     69.68   .   "   A"    11   .   N   "   A"    11   .   CA   "   A"    11   .   C    "   A"    12   .   N   parsed_5y0j   1   
        19   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     40.00     86.50   .   "   A"    11   .   C   "   A"    12   .   N    "   A"    12   .   CA   "   A"    12   .   C   parsed_5y0j   1   
        20   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -10.00     60.80   .   "   A"    12   .   N   "   A"    12   .   CA   "   A"    12   .   C    "   A"    13   .   N   parsed_5y0j   1   
        21   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.00    -81.38   .   "   A"    12   .   C   "   A"    13   .   N    "   A"    13   .   CA   "   A"    13   .   C   parsed_5y0j   1   
        22   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00    164.42   .   "   A"    13   .   N   "   A"    13   .   CA   "   A"    13   .   C    "   A"    14   .   N   parsed_5y0j   1   
        23   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -150.00    -31.20   .   "   A"    13   .   C   "   A"    14   .   N    "   A"    14   .   CA   "   A"    14   .   C   parsed_5y0j   1   
        24   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     90.00    151.02   .   "   A"    14   .   N   "   A"    14   .   CA   "   A"    14   .   C    "   A"    15   .   N   parsed_5y0j   1   
        25   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.00    -73.68   .   "   A"    14   .   C   "   A"    15   .   N    "   A"    15   .   CA   "   A"    15   .   C   parsed_5y0j   1   
        26   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00    141.08   .   "   A"    15   .   N   "   A"    15   .   CA   "   A"    15   .   C    "   A"    16   .   N   parsed_5y0j   1   
        27   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.00    -76.54   .   "   A"    15   .   C   "   A"    16   .   N    "   A"    16   .   CA   "   A"    16   .   C   parsed_5y0j   1   
        28   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    110.00    166.82   .   "   A"    16   .   N   "   A"    16   .   CA   "   A"    16   .   C    "   A"    17   .   N   parsed_5y0j   1   
        29   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.00    -89.96   .   "   A"    16   .   C   "   A"    17   .   N    "   A"    17   .   CA   "   A"    17   .   C   parsed_5y0j   1   
        30   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00    161.02   .   "   A"    17   .   N   "   A"    17   .   CA   "   A"    17   .   C    "   A"    18   .   N   parsed_5y0j   1   
        31   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.00    -90.80   .   "   A"    17   .   C   "   A"    18   .   N    "   A"    18   .   CA   "   A"    18   .   C   parsed_5y0j   1   
        32   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00    150.20   .   "   A"    18   .   N   "   A"    18   .   CA   "   A"    18   .   C    "   A"    19   .   N   parsed_5y0j   1   
        33   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -160.00    -73.28   .   "   A"    18   .   C   "   A"    19   .   N    "   A"    19   .   CA   "   A"    19   .   C   parsed_5y0j   1   
        34   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    100.00    163.78   .   "   A"    19   .   N   "   A"    19   .   CA   "   A"    19   .   C    "   A"    20   .   N   parsed_5y0j   1   
    stop_


    loop_
        _TA_constraint_parse_err.ID 
        _TA_constraint_parse_err.Content 
        _TA_constraint_parse_err.Begin_line 
        _TA_constraint_parse_err.Begin_column 
        _TA_constraint_parse_err.End_line 
        _TA_constraint_parse_err.End_column 
        _TA_constraint_parse_err.Entry_ID 
        _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 

        1   "# Restraints file 3: dihedral.tbl"    1   1   1   33   parsed_5y0j   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. Monday, February 17, 2020 6:44:20 PM GMT (wattos1)