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
640564 6kbo 36265 cing 2-parsed STAR dihedral angle


data_6kbo_MR_file_constraints


save_Conversion_project
    _Study_list.Sf_category  study_list 
    _Study_list.Entry_ID     parsed_6kbo 
    _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_6kbo   1   
    stop_

save_


save_entry_information
    _Entry.Sf_category                  entry_information 
    _Entry.ID                           parsed_6kbo 
    _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   6kbo   "Master copy"    parsed_6kbo   
    stop_

save_


save_global_Org_file_characteristics
    _Constraint_stat_list.Sf_category  constraint_statistics 
    _Constraint_stat_list.Entry_ID     parsed_6kbo 
    _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   6kbo.mr   .   .   "MR format"    1    comment                  "Not applicable"    "Not applicable"    0   parsed_6kbo   1   
        1   6kbo.mr   .   .    DYANA/DIANA   2   "dihedral angle"          "Not applicable"    "Not applicable"    0   parsed_6kbo   1   
        1   6kbo.mr   .   .    DYANA/DIANA   3    sequence                 "Not applicable"    "Not applicable"    0   parsed_6kbo   1   
        1   6kbo.mr   .   .   "MR format"    4   "nomenclature mapping"    "Not applicable"    "Not applicable"    0   parsed_6kbo   1   
    stop_

save_


save_DYANA/DIANA_dihedral_2
    _Torsion_angle_constraint_list.Sf_category         torsion_angle_constraints 
    _Torsion_angle_constraint_list.Entry_ID            parsed_6kbo 
    _Torsion_angle_constraint_list.ID                  1 
    _Torsion_angle_constraint_list.Constraint_file_ID  1 
    _Torsion_angle_constraint_list.Block_ID            2 
    _Torsion_angle_constraint_list.Details            "Generated by Wattos" 

    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   "Restraints file 1: KRKP_KYE28.aco"              1   1   1   35   parsed_6kbo   1   
        2   "Torsion angle constraints"                      2   1   2   28   parsed_6kbo   1   
        3   "generated from HA secondary chemical shifts"    3   1   3   64   parsed_6kbo   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   "2 ALA A  PHI  -120   -30"      5   4    5   28   parsed_6kbo   1   
         2   "2 ALA A  PSI  -120   120"      6   4    6   28   parsed_6kbo   1   
         3   "3 ARG A  PHI  -120   -30"      7   4    7   28   parsed_6kbo   1   
         4   "3 ARG A  PSI  -120   120"      8   4    8   28   parsed_6kbo   1   
         5   "4 GLY A  PHI  -120   -30"      9   4    9   28   parsed_6kbo   1   
         6   "4 GLY A  PSI  -120   120"     10   4   10   28   parsed_6kbo   1   
         7   "5 TRP A  PHI  -120   -30"     11   4   11   28   parsed_6kbo   1   
         8   "5 TRP A  PSI  -120   120"     12   4   12   28   parsed_6kbo   1   
         9   "6 LYS A  PHI  -120   -30"     13   4   13   28   parsed_6kbo   1   
        10   "6 LYS A  PSI  -120   120"     14   4   14   28   parsed_6kbo   1   
        11   "7 ARG A  PHI  -120   -30"     15   4   15   28   parsed_6kbo   1   
        12   "7 ARG A  PSI  -120   120"     16   4   16   28   parsed_6kbo   1   
        13   "8 LYS A  PHI  -120   -30"     17   4   17   28   parsed_6kbo   1   
        14   "8 LYS A  PSI  -120   120"     18   4   18   28   parsed_6kbo   1   
        15   "9 CYS A  PHI  -120   -30"     19   4   19   28   parsed_6kbo   1   
        16   "9 CYS A  PSI  -120   120"     20   4   20   28   parsed_6kbo   1   
        17   "11 LEU A  PHI  -120   -30"    21   3   21   28   parsed_6kbo   1   
        18   "11 LEU A  PSI  -120   120"    22   3   22   28   parsed_6kbo   1   
        19   "12 PHE A  PHI  -120   -30"    23   3   23   28   parsed_6kbo   1   
        20   "12 PHE A  PSI  -120   120"    24   3   24   28   parsed_6kbo   1   
        21   "13 GLY A  PHI  -120   -30"    25   3   25   28   parsed_6kbo   1   
        22   "13 GLY A  PSI  -120   120"    26   3   26   28   parsed_6kbo   1   
        23   "14 LYS A  PHI  -120   -30"    27   3   27   28   parsed_6kbo   1   
        24   "14 LYS A  PSI  -120   120"    28   3   28   28   parsed_6kbo   1   
        25   "15 GLY A  PHI  -120   -30"    29   3   29   28   parsed_6kbo   1   
        26   "15 GLY A  PSI  -120   120"    30   3   30   28   parsed_6kbo   1   
        27   "16 GLY A  PHI  -120   -30"    31   3   31   28   parsed_6kbo   1   
        28   "16 GLY A  PSI  -120   120"    32   3   32   28   parsed_6kbo   1   
        29   "1 LYS B  PHI  -120   -30"     33   4   33   28   parsed_6kbo   1   
        30   "1 LYS B  PSI  -120   120"     34   4   34   28   parsed_6kbo   1   
        31   "2 TYR B  PHI  -120   -30"     35   4   35   28   parsed_6kbo   1   
        32   "2 TYR B  PSI  -120   120"     36   4   36   28   parsed_6kbo   1   
        33   "3 GLU B  PHI  -120   -30"     37   4   37   28   parsed_6kbo   1   
        34   "3 GLU B  PSI  -120   120"     38   4   38   28   parsed_6kbo   1   
        35   "4 ILE B  PHI  -120   -30"     39   4   39   28   parsed_6kbo   1   
        36   "4 ILE B  PSI  -120   120"     40   4   40   28   parsed_6kbo   1   
        37   "5 THR B  PHI  -120   -30"     41   4   41   28   parsed_6kbo   1   
        38   "5 THR B  PSI  -120   120"     42   4   42   28   parsed_6kbo   1   
        39   "6 THR B  PHI  -120   -30"     43   4   43   28   parsed_6kbo   1   
        40   "6 THR B  PSI  -120   120"     44   4   44   28   parsed_6kbo   1   
        41   "7 ILE B  PHI  -120   -30"     45   4   45   28   parsed_6kbo   1   
        42   "7 ILE B  PSI  -120   120"     46   4   46   28   parsed_6kbo   1   
        43   "8 HIS B  PHI  -120   -30"     47   4   47   28   parsed_6kbo   1   
        44   "8 HIS B  PSI  -120   120"     48   4   48   28   parsed_6kbo   1   
        45   "9 ASN B  PHI  -120   -30"     49   4   49   28   parsed_6kbo   1   
        46   "9 ASN B  PSI  -120   120"     50   4   50   28   parsed_6kbo   1   
        47   "10 LEU B  PHI  -120   -30"    51   3   51   28   parsed_6kbo   1   
        48   "10 LEU B  PSI  -120   120"    52   3   52   28   parsed_6kbo   1   
        49   "11 PHE B  PHI  -120   -30"    53   3   53   28   parsed_6kbo   1   
        50   "11 PHE B  PSI  -120   120"    54   3   54   28   parsed_6kbo   1   
        51   "12 ARG B  PHI  -120   -30"    55   3   55   28   parsed_6kbo   1   
        52   "12 ARG B  PSI  -120   120"    56   3   56   28   parsed_6kbo   1   
        53   "13 LYS B  PHI  -120   -30"    57   3   57   28   parsed_6kbo   1   
        54   "13 LYS B  PSI  -120   120"    58   3   58   28   parsed_6kbo   1   
        55   "14 LEU B  PHI  -120   -30"    59   3   59   28   parsed_6kbo   1   
        56   "14 LEU B  PSI  -120   120"    60   3   60   28   parsed_6kbo   1   
        57   "15 THR B  PHI  -120   -30"    61   3   61   28   parsed_6kbo   1   
        58   "15 THR B  PSI  -120   120"    62   3   62   28   parsed_6kbo   1   
        59   "16 HIS B  PHI  -120   -30"    63   3   63   28   parsed_6kbo   1   
        60   "16 HIS B  PSI  -120   120"    64   3   64   28   parsed_6kbo   1   
        61   "17 ARG B  PHI  -120   -30"    65   3   65   28   parsed_6kbo   1   
        62   "17 ARG B  PSI  -120   120"    66   3   66   28   parsed_6kbo   1   
        63   "18 LEU B  PHI  -120   -30"    67   3   67   28   parsed_6kbo   1   
        64   "18 LEU B  PSI  -120   120"    68   3   68   28   parsed_6kbo   1   
        65   "19 PHE B  PHI  -120   -30"    69   3   69   28   parsed_6kbo   1   
        66   "19 PHE B  PSI  -120   120"    70   3   70   28   parsed_6kbo   1   
        67   "20 ARG B  PHI  -120   -30"    71   3   71   28   parsed_6kbo   1   
        68   "20 ARG B  PSI  -120   120"    72   3   72   28   parsed_6kbo   1   
        69   "21 ARG B  PHI  -120   -30"    73   3   73   28   parsed_6kbo   1   
        70   "21 ARG B  PSI  -120   120"    74   3   74   28   parsed_6kbo   1   
        71   "22 ASN B  PHI  -120   -30"    75   3   75   28   parsed_6kbo   1   
        72   "22 ASN B  PSI  -120   120"    76   3   76   28   parsed_6kbo   1   
        73   "23 PHE B  PHI  -120   -30"    77   3   77   28   parsed_6kbo   1   
        74   "23 PHE B  PSI  -120   120"    78   3   78   28   parsed_6kbo   1   
        75   "24 GLY B  PHI  -120   -30"    79   3   79   28   parsed_6kbo   1   
        76   "24 GLY B  PSI  -120   120"    80   3   80   28   parsed_6kbo   1   
        77   "25 TYR B  PHI  -120   -30"    81   3   81   28   parsed_6kbo   1   
        78   "25 TYR B  PSI  -120   120"    82   3   82   28   parsed_6kbo   1   
        79   "26 THR B  PHI  -120   -30"    83   3   83   28   parsed_6kbo   1   
        80   "26 THR B  PSI  -120   120"    84   3   84   28   parsed_6kbo   1   
        81   "27 LEU B  PHI  -120   -30"    85   3   85   28   parsed_6kbo   1   
        82   "27 LEU B  PSI  -120   120"    86   3   86   28   parsed_6kbo   1   
        83   "28 ARG B  PHI  -120   -30"    87   3   87   28   parsed_6kbo   1   
        84   "28 ARG B  PSI  -120   120"    88   3   88   28   parsed_6kbo   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. Wednesday, May 29, 2024 8:58:55 AM GMT (wattos1)