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
491267 2l5i cing 1-original 1 unknown distance NOE simple


#
#   CONTRAINTES HAi;NHi+1
#
#

  restraint create     1 distance *:1:HA  *:2:HN  
  restraint function     1 flatBottomed 200 200 1000
  restraint target     1 1.50 2.50

  restraint create     2 distance *:2:HA  *:3:HN  
  restraint function     2 flatBottomed 200 200 1000
  restraint target     2 1.50 5.50

  restraint create     3 distance *:3:HA  *:4:HN  
  restraint function     3 flatBottomed 200 200 1000
  restraint target     3 1.50 3.50

  restraint create     4 distance *:4:HA  *:5:HN  
  restraint function     4 flatBottomed 200 200 1000
  restraint target     4 1.50 3.50

  restraint create     5 distance *:5:HA  *:6:HN  
  restraint function     5 flatBottomed 200 200 1000
  restraint target     5 1.50 5.00

  restraint create     6 distance *:6:HA  *:7:HN  
  restraint function     6 flatBottomed 200 200 1000
  restraint target     6 1.50 3.50

  restraint create     7 distance *:7:HA  *:8:HN  
  restraint function     7 flatBottomed 200 200 1000
  restraint target     7 1.50 3.50  

  restraint create     8 distance *:8:HA  *:9:HN  
  restraint function     8 flatBottomed 200 200 1000
  restraint target     8 1.50 2.50

  restraint create     9 distance *:9:HA  *:10:HN  
  restraint function     9 flatBottomed 200 200 1000
  restraint target     9 1.50 3.50

  restraint create     10 distance *:10:HA  *:11:HN  
  restraint function     10 flatBottomed 200 200 1000
  restraint target     10 1.50 2.50

  restraint create     11 distance *:11:QA  *:12:HN  
  restraint function     11 flatBottomed 200 200 1000
  restraint target     11 1.50 4.00

  restraint create     13 distance *:13:HA  *:14:HN  
  restraint function     13 flatBottomed 200 200 1000
  restraint target     13 1.50 3.50

  restraint create     14 distance *:14:HA  *:15:HN  
  restraint function     14 flatBottomed 200 200 1000
  restraint target     14 1.50 3.50

  restraint create     15 distance *:16:HA  *:17:HN  
  restraint function     15 flatBottomed 200 200 1000
  restraint target     15 1.50 3.50

  restraint create     16 distance *:17:HA  *:18:HN  
  restraint function     16 flatBottomed 200 200 1000
  restraint target     16 1.50 2.50

  restraint create     17 distance *:18:HA  *:19:HN  
  restraint function     17 flatBottomed 200 200 1000
  restraint target     17 1.50 2.50

  restraint create     18 distance *:19:HA  *:20:HN  
  restraint function     18 flatBottomed 200 200 1000
  restraint target     18 1.50 3.50

  restraint create     19 distance *:20:HA  *:21:HN  
  restraint function     19 flatBottomed 200 200 1000
  restraint target     19 1.50 3.50

#
# contrainte NH(i) / NH(i+1)
#
#

  restraint create     20 distance *:3:HN  *:4:HN  
  restraint function     20 flatBottomed 200 200 1000
  restraint target     20 1.50 2.50

  restraint create     21 distance *:4:HN  *:5:HN  
  restraint function     21 flatBottomed 200 200 1000
  restraint target     21 1.50 3.50

  restraint create     22 distance *:5:HN  *:6:HN  
  restraint function     22 flatBottomed 200 200 1000
  restraint target     22 1.50 5.00

  restraint create     23 distance *:6:HN  *:7:HN  
  restraint function     23 flatBottomed 200 200 1000
  restraint target     23 1.50 2.50

  restraint create     24 distance *:7:HN  *:8:HN  
  restraint function     24 flatBottomed 200 200 1000
  restraint target     24 1.50 2.50

  restraint create     25 distance *:8:HN  *:9:HN  
  restraint function     25 flatBottomed 200 200 1000
  restraint target     25 1.50 5.50

  restraint create     26 distance *:11:HN  *:12:HN  
  restraint function     26 flatBottomed 200 200 1000
  restraint target     26 1.50 2.50

  restraint create     27 distance *:14:HN  *:15:HN  
  restraint function     27 flatBottomed 200 200 1000
  restraint target     27 1.50 3.50

  restraint create     28 distance *:15:HN  *:16:HN  
  restraint function     28 flatBottomed 200 200 1000
  restraint target     28 1.50 2.50

  restraint create     29 distance *:16:HN  *:17:HN  
  restraint function     29 flatBottomed 200 200 1000
  restraint target     29 1.50 2.50

  restraint create     30 distance *:17:HN  *:18:HN  
  restraint function     30 flatBottomed 200 200 1000
  restraint target     30 1.50 3.50

  restraint create     31 distance *:18:HN  *:19:HN  
  restraint function     31 flatBottomed 200 200 1000
  restraint target     31 1.50 2.50

  restraint create     32 distance *:19:HN  *:20:HN  
  restraint function     32 flatBottomed 200 200 1000
  restraint target     32 1.50 2.50

  restraint create     33 distance *:20:HN  *:21:HN  
  restraint function     33 flatBottomed 200 200 1000
  restraint target     33 1.50 2.50

#
# Contraintes NHi / NHi+2
#

  restraint create     34 distance *:14:HN  *:16:HN  
  restraint function     34 flatBottomed 200 200 1000
  restraint target     34 1.50 5.50

#
# Contraintes HBi / NHi+1
#


  restraint create     35 distance *:2:HB  *:3:HN  
  restraint function     35 flatBottomed 200 200 1000
  restraint target     35 1.50 3.50

  restraint create     36 distance *:3:HB1  *:4:HN  
  restraint function     36 flatBottomed 200 200 1000
  restraint target     36 1.50 3.50

  restraint create     37 distance *:3:HB2  *:4:HN  
  restraint function     37 flatBottomed 200 200 1000
  restraint target     37 1.50 3.50

  restraint create     38 distance *:4:HB1  *:5:HN  
  restraint function     38 flatBottomed 200 200 1000
  restraint target     38 1.50 3.50

  restraint create     39 distance *:4:HB2  *:5:HN  
  restraint function     39 flatBottomed 200 200 1000
  restraint target     39 1.50 3.50

  restraint create     40 distance *:5:HB  *:6:HN  
  restraint function     40 flatBottomed 200 200 1000
  restraint target     40 1.50 5.00

  restraint create     41 distance *:6:HB1  *:7:HN  
  restraint function     41 flatBottomed 200 200 1000
  restraint target     41 1.50 2.50

  restraint create     42 distance *:6:HB2  *:7:HN  
  restraint function     42 flatBottomed 200 200 1000
  restraint target     42 1.50 2.50

  restraint create     43 distance *:7:HB1  *:8:HN  
  restraint function     43 flatBottomed 200 200 1000
  restraint target     43 1.50 3.50

  restraint create     44 distance *:7:HB2  *:8:HN  
  restraint function     44 flatBottomed 200 200 1000
  restraint target     44 1.50 3.50

  restraint create     45 distance *:8:HB1  *:9:HN  
  restraint function     45 flatBottomed 200 200 1000
  restraint target     45 1.50 3.50

  restraint create     46 distance *:8:HB2  *:9:HN  
  restraint function     46 flatBottomed 200 200 1000
  restraint target     46 1.50 3.50

  restraint create     47 distance *:9:HB1  *:10:HN  
  restraint function     47 flatBottomed 200 200 1000
  restraint target     47 1.50 2.50

  restraint create     48 distance *:9:HB2  *:10:HN  
  restraint function    48 flatBottomed 200 200 1000
  restraint target     48 1.50 2.50

  restraint create     49 distance *:10:QB  *:11:HN  
  restraint function     49 flatBottomed 200 200 1000
  restraint target     49 1.50 5.50

  restraint create     50 distance *:13:QB  *:14:HN  
  restraint function     50 flatBottomed 200 200 1000
  restraint target     50 1.50 5.50

  restraint create     51 distance *:14:HB1  *:15:HN  
  restraint function     51 flatBottomed 200 200 1000
  restraint target     51 1.50 3.50

  restraint create     52 distance *:14:HB2  *:15:HN  
  restraint function     52 flatBottomed 200 200 1000
  restraint target     52 1.50 3.50

  restraint create     53 distance *:16:QB  *:17:HN  
  restraint function     53 flatBottomed 200 200 1000
  restraint target     53 1.50 5.50

  restraint create     53 distance *:17:QB  *:18:HN  
  restraint function     53 flatBottomed 200 200 1000
  restraint target     53 1.50 5.50

  restraint create     54 distance *:18:HB1  *:19:HN  
  restraint function     54 flatBottomed 200 200 1000
  restraint target     54 1.50 3.50

  restraint create     55 distance *:18:HB2  *:19:HN  
  restraint function     55 flatBottomed 200 200 1000
  restraint target     55 1.50 3.50

  restraint create     56 distance *:19:HB  *:20:HN  
  restraint function     56 flatBottomed 200 200 1000
  restraint target     56 1.50 2.50

  restraint create     57 distance *:20:HB1  *:21:HN  
  restraint function     57 flatBottomed 200 200 1000
  restraint target     57 1.50 3.50

  restraint create     58 distance *:20:HB2  *:21:HN  
  restraint function     58 flatBottomed 200 200 1000
  restraint target     58 1.50 3.50

#
# Contraintes HGi / NH i+1
#


  restraint create     59 distance *:2:QG1  *:3:HN  
  restraint function     59 flatBottomed 200 200 1000
  restraint target     59 1.50 6.00

  restraint create     60 distance *:2:QG2  *:3:HN  
  restraint function     60 flatBottomed 200 200 1000
  restraint target     60 1.50 6.00

  restraint create     61 distance *:4:QG  *:5:HN  
  restraint function     61 flatBottomed 200 200 1000
  restraint target     61 1.50 5.50

  restraint create     62 distance *:5:QQG  *:6:HN  
  restraint function     62 flatBottomed 200 200 1000
  restraint target     62 1.50 6.00

  restraint create     63 distance *:8:HG1  *:9:HN  
  restraint function     63 flatBottomed 200 200 1000
  restraint target     63 1.50 3.50  

  restraint create     64 distance *:8:HG2  *:9:HN  
  restraint function     64 flatBottomed 200 200 1000
  restraint target     64 1.50 3.50  

  restraint create     65 distance *:9:QG  *:10:HN  
  restraint function     65 flatBottomed 200 200 1000
  restraint target     65 1.50 5.50

  restraint create     66 distance *:13:QG  *:14:HN  
  restraint function     66 flatBottomed 200 200 1000
  restraint target     66 1.50 5.50

  restraint create     67 distance *:14:HG1  *:15:HN  
  restraint function     67 flatBottomed 200 200 1000
  restraint target     67 1.50 3.50

  restraint create     68 distance *:14:HG2  *:15:HN  
  restraint function     68 flatBottomed 200 200 1000
  restraint target     68 1.50 3.50

  restraint create     69 distance *:19:QG1  *:20:HN  
  restraint function     69 flatBottomed 200 200 1000
  restraint target     69 1.50 5.00

  restraint create     70 distance *:19:QG2  *:20:HN  
  restraint function     70 flatBottomed 200 200 1000
  restraint target     70 1.50 5.00

  restraint create     71 distance *:20:HG1  *:21:HN  
  restraint function     71 flatBottomed 200 200 1000
  restraint target     71 1.50 5.50

  restraint create     72 distance *:20:HG2  *:21:HN  
  restraint function     72 flatBottomed 200 200 1000
  restraint target     72 1.50 5.50

#
# Contraintes HDi / NH i+1
#

  restraint create     73 distance *:2:QD  *:3:HN  
  restraint function     73 flatBottomed 200 200 1000
  restraint target     73 1.50 5.50

  restraint create     74 distance *:8:QD  *:9:HN  
  restraint function     74 flatBottomed 200 200 1000
  restraint target     74 1.50 5.50

  restraint create     75 distance *:9:QD  *:10:HN  
  restraint function     75 flatBottomed 200 200 1000
  restraint target     75 1.50 6.00

  restraint create     76 distance *:13:HD1  *:14:HN  
  restraint function     76 flatBottomed 200 200 1000
  restraint target     76 1.50 5.50

  restraint create     77 distance *:13:HD2  *:14:HN  
  restraint function     77 flatBottomed 200 200 1000
  restraint target     77 1.50 5.50

  restraint create     78 distance *:19:QD  *:20:HN  
  restraint function     78 flatBottomed 200 200 1000
  restraint target     78 1.50 5.50

#
# Contraintes HG i / NH i+2
#


  restraint create     79 distance *:19:QQG  *:21:HN  
  restraint function     79 flatBottomed 200 200 1000
  restraint target     79 1.50 6.00

#
# Contraintes HD i / NH i+2
#

  restraint create     80 distance *:2:QD  *:4:HN  
  restraint function     80 flatBottomed 200 200 1000
  restraint target     80 1.50 5.0


#
# Contraintes HA i / NH i+2
#

  restraint create     81 distance *:14:HA  *:16:HN  
  restraint function     81 flatBottomed 200 200 1000
  restraint target     81 1.50 3.50

  restraint create     82 distance *:15:QA  *:17:HN  
  restraint function     82 flatBottomed 200 200 1000
  restraint target     82 1.50 6.00


#
# Contraintes HA i / NH i+3
#

  restraint create     83 distance *:13:HA  *:16:HN  
  restraint function     83 flatBottomed 200 200 1000
  restraint target     83 1.50 5.50

#
# Contraintes  longues distance
#

  restraint create     84 distance *:11:HN  *:21:HN  
  restraint function     84 flatBottomed 200 200 1000
  restraint target     84 1.50 5.50

  restraint create     85 distance *:3:HN  *:19:HN  
  restraint function     85 flatBottomed 200 200 1000
  restraint target     85 1.50 3.50

  restraint create     86 distance *:3:HN  *:19:QQG  
  restraint function     86 flatBottomed 200 200 1000
  restraint target     86 1.50 6.50


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