NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type
2336 1bp8 cing 1-original 9 unknown dihedral angle


CONS CLDH
CONS DIHE A     1 C4*        A      1 C3*        - 
A      1 O3*          A     2 P             -
FORCE    5.000 MIN    172.000
CONS DIHE A     1 C3*        A      1 O3*        -
A      2 P            A     2 O5*           -
FORCE    5.000 MIN    280.000
CONS DIHE A     1 O3*        A      2 P          -
A      2 O5*          A     2 C5*           -
FORCE    5.000 MIN    260.000
CONS DIHE A     2 P          A      2 O5*        -
A      2 C5*          A     2 C4*           -
FORCE    5.000 MIN    195.000
CONS DIHE A     2 O5*        A      2 C5*        -
A      2 C4*          A     2 C3*           -
FORCE    5.000 MIN     55.000
CONS DIHE A     2 C4*        A      2 C3*        -
A      2 O3*          A     3 P             -
FORCE    5.000 MIN    172.000
CONS DIHE A     2 C3*        A      2 O3*        -
A      3 P            A     3 O5*           -
FORCE    5.000 MIN    280.000
CONS DIHE A     2 O3*        A      3 P          -
A      3 O5*          A     3 C5*           -
FORCE    5.000 MIN    260.000
CONS DIHE A     3 P          A      3 O5*        -
A      3 C5*          A     3 C4*           -
FORCE    5.000 MIN    195.000
CONS DIHE A     3 O5*        A      3 C5*        -
A      3 C4*          A     3 C3*           -
FORCE    5.000 MIN      55.000
CONS DIHE A     3 C4*         A    3 C3*         -
A    3 O3*            A    4 P             -
FORCE    5.000 MIN    172.000
CONS DIHE A     3 C3*         A    3 O3*         -
A    4 P              A    4 O5*           -
FORCE    5.000 MIN    280.000
CONS DIHE A     3 O3*        A      4 P          -
A      4 O5*          A     4 C5*           -
FORCE    5.000 MIN   260.000
CONS DIHE A     4 P          A      4 O5*        -
A      4 C5*          A     4 C4*           -
FORCE    5.000 MIN   195.000
CONS DIHE A     4 O5*        A      4 C5*        -
A      4 C4*          A     4  C3*          -
FORCE    5.000 MIN    55.000
CONS DIHE A     4 C4*        A      4 C3*        -
A      4 O3*          A     5 P             -
FORCE    5.000 MIN   172.000
CONS DIHE A     4 C3*        A      4 O3*        -
A      5 P            A     5 O5*           -
FORCE    5.000 MIN   280.000
CONS DIHE A     4 O3*        A      5 P          -
A      5 O5*          A     5 C5*           -
FORCE    5.000 MIN   260.000
CONS DIHE A     5 P          A      5 O5*        -
A      5 C5*          A     5 C4*           -
FORCE    5.000 MIN   195.000
CONS DIHE A     5 O5*        A      5 C5*        -
A      5 C4*          A     5 C3*           -
FORCE    5.000 MIN    55.000
CONS DIHE A     5 C4*        A      5 C3*        -
A      6 O3*          A     6 P             -
FORCE    5.000 MIN   172.000
CONS DIHE A     5 C3*        A      5 O3*        -
A      6 P            A     6  O5*          -
FORCE    5.000 MIN   280.000
CONS DIHE A     5 O3*        A      6 P          -
A      6 O5*          A     6 C5*           -
FORCE    5.000 MIN   260.000
CONS DIHE A     6 P          A      6 O5*        -
A      6 C5*          A     6 C4*           -
FORCE    5.000 MIN   195.000
CONS DIHE A     6  O5*       A      6 C5*        -
A      6 C4*          A     6 C3*           -
FORCE    5.000 MIN    55.000
CONS DIHE A     6 C4*        A      6 C3*        -
A      6 O3*          A     7 P             -
FORCE    5.000 MIN   172.000
CONS DIHE A     6 C3*        A      6 O3*        -
A      7 P            A     7 O5*           -
FORCE    5.000 MIN   280.000
CONS DIHE A     6 O3*        A      7 P          -
A      7 O5*          A     7 C5*           -
FORCE    5.000 MIN   260.000
CONS DIHE A     7 P          A      7 O5*        -
A      7 C5*          A     7 C4*           -
FORCE    5.000 MIN   195.000
CONS DIHE A     7 O5*        A      7 C5*        -
A      7 C4*          A     7 C3*           -
FORCE    5.000 MIN    55.000
CONS DIHE A     7 C4*        A      7 C3*        -
A      8 O3*          A    8 P             -
FORCE    5.000 MIN   172.000
CONS DIHE A     7 C3*        A      7 O3*        -
A     8 P            A    8 O5*           -
FORCE    5.000 MIN   280.000
CONS DIHE A     7  O3*       A     8 P          -
A     8 O5*          A    8 C5*           -
FORCE    5.000 MIN   260.000
CONS DIHE A    8 P          A     8 O5*        - 
A     8 C5*          A    8 C4*           -
FORCE    5.000 MIN   195.000
CONS DIHE A    8 O5*        A     8 C5*        - 
A     8 C4*          A    8 C3*           -
FORCE    5.000 MIN    55.000
CONS DIHE B    1 C4*        B     1 C3*        -
B     1 O3*          B   2 P             -
FORCE    5.000 MIN   172.000
CONS DIHE B    1 C3*        B     1 O3*        -
B     2 P            B    2 O5*           -
FORCE    5.000 MIN   280.000
CONS DIHE B    1 O3*        B     2 P          -
B     2 O5*          B    2 C5*           -
FORCE    5.000 MIN   260.000
CONS DIHE B    2 P          B     2 O5*        -
B     2 C5*          B    2 C4*           -
FORCE    5.000 MIN   195.000
CONS DIHE B    2 O5*        B     2 C5*        -
B     2 C4*          B    2 C3*           -
FORCE    5.000 MIN    55.000
CONS DIHE B    2 C4*        B     2 C3*        -
B     2 O3*          B    3 P             -
FORCE    5.000 MIN   172.000
CONS DIHE B    2 C3*        B     2 O3*        -
B     3 P            B    3 O5*           -
FORCE    5.000 MIN   280.000
CONS DIHE B    2 O3*        B     3 P          -
B     3 O5*          B    3 C5*           -
FORCE    5.000 MIN   260.000
CONS DIHE B    3 P          B     3 O5*        -
B     3 C5*          B    3 C4*           -
FORCE    5.000 MIN   195.000
CONS DIHE B    3 O5*        B     3 C5*        -
B     3 C4*          B    3 C3*           -
FORCE    5.000 MIN    55.000
CONS DIHE B    3 C4*        B    3 C3*         -
B    3 O3*           B    4 P             -
FORCE    5.000 MIN    172.000
CONS DIHE B    3 C3*        B    3 O3*         -
B    4 P             B    4 O5*           -
FORCE    5.000 MIN    280.000 
CONS DIHE B    3 O3*        B     4 P          -
B     4 O5*          B    4 C5*           -
FORCE    5.000 MIN    260.000
CONS DIHE B    4 P          B     4 O5*        -
B     4 C5*          B    4 C4*           -
FORCE    5.000 MIN   195.000
CONS DIHE B    4 O5*        B     4 C5*        -
B     4 C4*          B    4 C3*           -
FORCE    5.000 MIN    55.000
CONS DIHE B    4 C4*      B    4 C3*           -
B    4 O3*           B    5 P             -
FORCE    5.000 MIN    172.000
CONS DIHE B    4 C3*      B    4 O3*           -
B    5 P             B    5 O5*           -
FORCE    5.000 MIN    280.000
CONS DIHE B    4 O3*        B     5 P          -
B     5 O5*          B    5 C5*           -
FORCE    5.000 MIN   260.000
CONS DIHE B    5 P          B     5 O5*        -
B     5 C5*          B    5 C4*           -
FORCE     5.000 MIN   195.000
CONS DIHE B    5 O5*        B     5 C5*        -
B     5 C4*          B   5 C3*           -
FORCE     5.000 MIN    55.000
CONS DIHE B    5 C4*        B     5 C3*        -
B     5 O3*          B    6 P             -
FORCE     5.000 MIN   172.000
CONS DIHE B    5 C3*        B     5 O3*        -
B     6 P            B    6  O5*          -
FORCE     5.000 MIN   280.000
CONS DIHE B    5 O3*        B     6 P          -
B     6 O5*          B    6 C5*           -
FORCE     5.000 MIN   260.000
CONS DIHE B    6 P          B     6 O5*        -
B     6 C5*          B    6 C4*           -
FORCE     5.000 MIN   195.000
CONS DIHE B    6  O5*       B     6 C5*        -
B     6 C4*          B    6 C3*           -
FORCE     5.000 MIN    55.000
CONS DIHE B    6 C4*        B     6 C3*        -
B     6 O3*          B    7 P             -
FORCE     5.000 MIN   172.000
CONS DIHE B    6 C3*        B     6 O3*        -
B     7 P            B    7 O5*           -
FORCE     5.000 MIN   280.000
CONS DIHE B    6 O3*        B     7 P          -
B     7 O5*          B    7 C5*           -
FORCE     5.000 MIN   260.000
CONS DIHE B    7 P          B     7 O5*        -
B     7 C5*          B    7 C4*           -
FORCE     5.000 MIN   195.000
CONS DIHE B    7 O5*        B     7 C5*        -
B     7 C4*          B    7 C3*           -
FORCE     5.000 MIN    55.000
CONS DIHE B    7 C4*        B     7 C3*        -
B     7 O3*          B    8 P             -
FORCE     5.000 MIN   172.000
CONS DIHE B    7 C3*        B     7 O3*        -
B     8 P            B    8 O5*           -
FORCE     5.000 MIN   280.000
CONS DIHE B    7  O3*       B     8 P          -
B     8 O5*          B    8 C5*           -
FORCE     5.000 MIN   260.000
CONS DIHE B    8 P          B     8 O5*        - 
B     8 C5*          B    8 C4*           -
FORCE     5.000 MIN   195.000
CONS DIHE B    8 O5*        B     8 C5*        -
B     8 C4*          B    8 C3*           -
FORCE     5.000 MIN    55.000
! Dihedral constraints for MG binding site 
CONS DIHE MIT1 1 C49            MIT1 1 O50           -
MIT1 1 MG1            MIT1 2 O50           -
FORCE     5.000 MIN   215.000
CONS DIHE MIT1 2 C49            MIT1 2 O50           -
MIT1 1 MG1            MIT1 1 O50           -
FORCE     5.000 MIN   145.000
CONS DIHE MIT2 9 C49           MIT2 9 O50          -
MIT2 9 MG2           MIT2 10 O50           -
FORCE     5.000 MIN   215.000
CONS DIHE MIT2 10 C49           MIT2 10 O50          -
MIT2 9 MG2           MIT2 9 O50           -
FORCE     5.000 MIN   145.000


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

Contact the webmaster for help, if required. Friday, March 29, 2024 9:39:19 AM GMT (wattos1)