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
505520 2ysl 11234 cing 2-parsed STAR dihedral angle 33


data_2ysl_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_2ysl 
    _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_2ysl   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_2ysl 
    _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   2ysl   "Master copy"    parsed_2ysl   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_2ysl 
    _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   2ysl.mr   .   .   "MR format"    1    comment                  "Not applicable"      "Not applicable"      0   parsed_2ysl   1   
        1   2ysl.mr   .   .    DYANA/DIANA   2    distance                 "general distance"     simple              26   parsed_2ysl   1   
        1   2ysl.mr   .   .    DYANA/DIANA   3    distance                 "general distance"     simple              26   parsed_2ysl   1   
        1   2ysl.mr   .   .    DYANA/DIANA   4   "dihedral combo"           ambi                 "Not applicable"      0   parsed_2ysl   1   
        1   2ysl.mr   .   .    DYANA/DIANA   5   "dihedral angle"          "Not applicable"      "Not applicable"    309   parsed_2ysl   1   
        1   2ysl.mr   .   .    DYANA/DIANA   6    distance                  NOE                   simple             820   parsed_2ysl   1   
        1   2ysl.mr   .   .    DYANA/DIANA   7   "dihedral angle"          "Not applicable"      "Not applicable"     33   parsed_2ysl   1   
        1   2ysl.mr   .   .   "MR format"    8   "nomenclature mapping"    "Not applicable"      "Not applicable"      0   parsed_2ysl   1   
    stop_

save_


save_DYANA/DIANA_dihedral_7
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_2ysl 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            7 
    _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   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -146.6    -86.6     .   .   22   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
         2   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     95.3    155.3     .   .   22   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
         3   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -135.9    -75.9     .   .   23   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
         4   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    107.9    167.9     .   .   23   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
         5   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -140.8    -80.8     .   .   34   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
         6   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     94.1    154.1     .   .   34   VAL    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
         7   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -123.1    -63.1     .   .   36   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
         8   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    136.2    196.2     .   .   36   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
         9   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -163.7   -103.7     .   .   41   ASN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        10   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    126.9    186.9     .   .   41   ASN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        11   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -164.6   -104.6     .   .   42   PHE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        12   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   -104.5    -44.5     .   .   43   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        13   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    133.9    193.9     .   .   43   CYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        14   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -91.8    -31.8     .   .   44   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        15   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -65.1     -5.1     .   .   44   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        16   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -94.8    -34.8     .   .   45   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        17   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.4    -10.4     .   .   45   LYS    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        18   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -93.7    -33.7     .   .   46   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        19   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -76.1    -16.1     .   .   46   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        20   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.4    -35.4     .   .   47   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        21   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.3     -9.3     .   .   47   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        22   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -95.0    -35.0     .   .   48   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        23   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -70.8    -10.8     .   .   48   THR    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        24   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -98.7    -38.7     .   .   49   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        25   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -69.8     -9.9     .   .   49   GLN    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        26   PHI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -98.4    -38.4     .   .   50   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        27   PSI    .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    -65.7     -5.742   .   .   50   ILE    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        28   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150      210       .   .   23   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        29   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30       90       .   .   26   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        30   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    270      330       .   .   40   HIST   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        31   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .     30       90       .   .   38   CYSS   .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        32   CHI1   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    270      330       .   .   30   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   1   
        33   CHI2   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .   .    150      210       .   .   30   LEU    .   .   .   .   .   .   .   .   .   .   .   .   .   parsed_2ysl   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. Tuesday, May 28, 2024 10:58:52 PM GMT (wattos1)