NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
7056 1jy4 cing 1-original 1 DYANA/DIANA distance NOE simple


  # Sequential NOEs
# for one protomer (1-35)
    2 GLY  HA1      2 GLY  HN      3.0    # strong
    2 GLY  HA1      3 GLU  HN      3.5    # medium
    3 GLU  HA       3 GLU  HN      5.0    # weak
    3 GLU  HA       4 CYS  HN      3.0    # strong
    4 CYS  HA       4 CYS  HN      5.0    # weak
    4 CYS  HA       5 LYS  HN      3.0    # strong
    5 LYS  HA       5 LYS  HN      5.0    # weak
    5 LYS  HA       6 PHE  HN      3.0    # strong
    6 PHE  HA       6 PHE  HN      5.0    # weak
    6 PHE  HA       7 THR  HN      3.0    # strong
    7 THR  HA       7 THR  HN      5.0    # weak
    7 THR  HA       8 VAL  HN      3.0    # strong
    8 VAL  HA       8 VAL  HN      5.0    # weak
    9 DPRO HA      10 GLY  HN      3.0    # strong
   10 GLY  HA1     10 GLY  HN      4.0    # medium
   10 GLY  HA1     11 ARG  HN      5.0    # weak
   11 ARG  HA      11 ARG  HN      5.0    # weak
   11 ARG  HA      12 THR  HN      3.0    # strong
  12 THR  HA      12 THR  HN      5.0    # weak
  12 THR  HA      13 ALA  HN      3.0    # strong
  13 ALA  HA      13 ALA  HN      5.0    # weak
  13 ALA  HA      14 LEU  HN      3.0    # strong
  14 LEU  HA      14 LEU  HN      5.0    # weak
  14 LEU  HA      15 ASN  HN      3.0    # strong
  15 ASN  HA      15 ASN  HN      5.0    # weak
  15 ASN  HA      16 THR  HN      3.0    # strong
  16 THR  HA      16 THR  HN      5.0    # weak
  17 DPRO HA      18 ALA  HN      3.0    # strong
  18 ALA  HA      18 ALA  HN      4.0    # medium
  18 ALA  HA      19 VAL  HN      5.0    # weak
  19 VAL  HA      19 VAL  HN      5.0    # weak
  19 VAL  HA      20 GLN  HN      3.0    # strong
  20 GLN  HA      20 GLN  HN      5.0    # weak
  20 GLN  HA      21 LYS  HN      3.0    # strong
  21 LYS  HA      21 LYS  HN      5.0    # weak
  21 LYS  HA      22 TRP  HN      3.0    # strong
  22 TRP  HA      22 TRP  HN      5.0    # weak
  22 TRP  HA      23 HIS  HN      3.0    # strong
  23 HIS  HA      23 HIS  HN      5.0    # weak
  23 HIS  HA      24 PHE  HN      3.0    # strong
  24 PHE  HA      24 PHE  HN      5.0    # weak
  24 PHE  HA      25 VAL  HN      3.0    # strong
  25 VAL  HA      25 VAL  HN      5.0    # weak
  25 VAL  HA      26 LEU  HN      3.0    # strong
  26 LEU  HA      26 LEU  HN      5.0    # weak
  27 DPRO HA      28 GLY  HN      3.0    # strong
  28 GLY  HA1     28 GLY  HN      4.0    # medium
  28 GLY  HA1     29 TYR  HN      5.0    # weak
  29 TYR  HA      29 TYR  HN      5.0    # weak
  29 TYR  HA      30 LYS  HN      3.0    # strong
  30 LYS  HA      30 LYS  HN      5.0    # weak
  30 LYS  HA      31 CYSS HN      3.0    # strong
  31 CYSS HA      31 CYSS HN      5.0    # weak
  31 CYSS HA      32 GLU  HN      3.0    # strong
  32 GLU  HA      32 GLU  HN      5.0    # weak
  32 GLU  HA      33 ILE  HN      3.0    # strong
  33 ILE  HA      33 ILE  HN      5.0    # weak
  33 ILE  HA      34 LEU  HN      3.0    # strong
  34 LEU  HA      34 LEU  HN      5.0    # weak
  34 LEU  HA      35 ALA  HN      3.0    # strong
  35 ALA  HA      35 ALA  HN      5.0    # weak

# for second protomer (201-235)
   402 GLY  HA1      402 GLY  HN      3.0    # strong
    402 GLY  HA1      403 GLU  HN      4.0    # medium
    403 GLU  HA       403 GLU  HN      5.0    # weak
    403 GLU  HA       404 CYS  HN      3.0    # strong
    404 CYS  HA       404 CYS  HN      5.0    # weak
    404 CYS  HA       405 LYS  HN      3.0    # strong
    405 LYS  HA       405 LYS  HN      5.0    # weak
    405 LYS  HA       406 PHE  HN      3.0    # strong
    406 PHE  HA       406 PHE  HN      5.0    # weak
    406 PHE  HA       407 THR  HN      3.0    # strong
    407 THR  HA       407 THR  HN      5.0    # weak
    407 THR  HA       408 VAL  HN      3.0    # strong
    408 VAL  HA       408 VAL  HN      5.0    # weak
    409 DPRO HA       410 GLY  HN      3.0    # strong
    410 GLY  HA1      410 GLY  HN      4.0    # medium
    410 GLY  HA1      411 ARG  HN      5.0    # weak
    411 ARG  HA       411 ARG  HN      5.0    # weak
    411 ARG  HA       412 THR  HN      3.0    # strong
   412 THR  HA       412 THR  HN      5.0    # weak
   412 THR  HA       413 ALA  HN      3.0    # strong
   413 ALA  HA       413 ALA  HN      5.0    # weak
   413 ALA  HA       414 LEU  HN      3.0    # strong
   414 LEU  HA       414 LEU  HN      5.0    # weak
   414 LEU  HA       415 ASN  HN      3.0    # strong
   415 ASN  HA       415 ASN  HN      5.0    # weak
   415 ASN  HA       416 THR  HN      3.0    # strong
   416 THR  HA       416 THR  HN      5.0    # weak
   417 DPRO HA       418 ALA  HN      3.0    # strong
   418 ALA  HA       418 ALA  HN      4.0    # medium
   418 ALA  HA       419 VAL  HN      5.0    # weak
   419 VAL  HA       419 VAL  HN      5.0    # weak
   419 VAL  HA       420 GLN  HN      3.0    # strong
   420 GLN  HA       420 GLN  HN      5.0    # weak
   420 GLN  HA       421 LYS  HN      3.0    # strong
   421 LYS  HA       421 LYS  HN      5.0    # weak
   421 LYS  HA       422 TRP  HN      3.0    # strong
   422 TRP  HA       422 TRP  HN      5.0    # weak
   422 TRP  HA       423 HIS  HN      3.0    # strong
   423 HIS  HA       423 HIS  HN      5.0    # weak
   423 HIS  HA       424 PHE  HN      3.0    # strong
   424 PHE  HA       424 PHE  HN      5.0    # weak
   424 PHE  HA       425 VAL  HN      3.0    # strong
   425 VAL  HA       425 VAL  HN      5.0    # weak
   425 VAL  HA       426 LEU  HN      3.0    # strong
   426 LEU  HA       426 LEU  HN      5.0    # weak
   427 DPRO HA       428 GLY  HN      3.0    # strong
   428 GLY  HA1      428 GLY  HN      4.0    # medium
   428 GLY  HA1      429 TYR  HN      5.0    # weak
   429 TYR  HA       429 TYR  HN      5.0    # weak
   429 TYR  HA       430 LYS  HN      3.0    # strong
   430 LYS  HA       430 LYS  HN      5.0    # weak
   430 LYS  HA       431 CYSS HN      3.0    # strong
   431 CYSS HA       431 CYSS HN      5.0    # weak
   431 CYSS HA       432 GLU  HN      3.0    # strong
   432 GLU  HA       432 GLU  HN      5.0    # weak
   432 GLU  HA       433 ILE  HN      3.0    # strong
   433 ILE  HA       433 ILE  HN      5.0    # weak
   433 ILE  HA       434 LEU  HN      3.0    # strong
   434 LEU  HA       434 LEU  HN      5.0    # weak
   434 LEU  HA       435 ALA  HN      3.0    # strong
   435 ALA  HA       435 ALA  HN      5.0    # weak
 
   #Across strand NOEs

#for one protomer
   8 VAL  HN     11 ARG  HN      4.5    # weak
   6 PHE  HN     13 ALA  HN      4.5    # weak
   4 CYS  HN     15 ASN  HN      4.5    # weak
  16 THR  HN     19 VAL  HN      4.5    # weak
  14 LEU  HN     21 LYS  HN      4.5    # weak
  12 THR  HN     23 HIS  HN      4.5    # weak
  20 GLN  HN     35 ALA  HN      4.5    # weak
  22 TRP  HN     33 ILE  HN      4.5    # weak
  24 PHE  HN     31 CYSS HN      4.5    # weak
  26 LEU  HN     29 TYR  HN      4.5    # weak
   7 THR  HA     12 THR  HA      3.5    # medium
   5 LYS  HA     14 LEU  HA      3.5    # medium
  15 ASN  HA     20 GLN  HA      3.5    # medium
  13 ALA  HA     22 TRP  HA      3.5    # medium
  11 ARG  HA     24 PHE  HA      3.5    # medium
  25 VAL  HA     30 LYS  HA      3.5    # medium
  23 HIS  HA     32 GLU  HA      3.5    # medium
  21 LYS  HA     34 LEU  HA      3.5    # medium

#for second protomer
 408 VAL  HN    411 ARG  HN      4.5    # weak
 406 PHE  HN    413 ALA  HN      4.5    # weak
 404 CYS  HN    415 ASN  HN      4.5    # weak
 416 THR  HN    419 VAL  HN      4.5    # weak
 414 LEU  HN    421 LYS  HN      4.5    # weak
 412 THR  HN    423 HIS  HN      4.5    # weak
 420 GLN  HN    435 ALA  HN      4.5    # weak
 422 TRP  HN    433 ILE  HN      4.5    # weak
 424 PHE  HN    431 CYSS HN      4.5    # weak
 426 LEU  HN    429 TYR  HN      4.5    # weak
 407 THR  HA    412 THR  HA      3.5    # medium
 405 LYS  HA    414 LEU  HA      3.5    # medium
 415 ASN  HA    420 GLN  HA      3.5    # medium
 413 ALA  HA    422 TRP  HA      3.5    # medium
 411 ARG  HA    424 PHE  HA      3.5    # medium
 425 VAL  HA    430 LYS  HA      3.5    # medium
 423 HIS  HA    432 GLU  HA      3.5    # medium
 421 LYS  HA    434 LEU  HA      3.5    # medium

# across interface

  30 LYS  HN     432 GLU  HN      4.5    # weak
  32 GLU  HN     430 LYS  HN      4.5    # weak
  29 TYR  HA     433 ILE  HA      3.5    # medium
  33 ILE  HA     429 TYR  HA      3.5    # medium


  31 CYSS 
         CB     431 CYSS SG      3.10  5.00E+00              
         SG     431 CYSS CB      3.10  5.00E+00              
         SG     431 CYSS SG      2.10  5.00E+00              

  # Sequential (turn) NOEs

   10 GLY  HN     11 ARG  HN      2.5    # strong
   18 ALA  HN     19 VAL  HN      2.5    # strong
   28 GLY  HN     29 TYR  HN      2.5    # strong

   410 GLY  HN     411 ARG  HN      2.5    # strong
   418 ALA  HN     419 VAL  HN      2.5    # strong
   428 GLY  HN     429 TYR  HN      2.5    # strong

 # alpha-delta NOEs

   8 VAL  HA      9 DPRO QD     2.5    # strong
  16 THR  HA     17 DPRO QD     2.5    # strong
  26 LEU  HA     27 DPRO QD     2.5    # strong
  408 VAL  HA     409 DPRO QD     2.5    # strong
  416 THR  HA     417 DPRO QD     2.5    # strong
  426 LEU  HA     427 DPRO QD     2.5    # strong



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