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
492161 2k3y cing 1-original 3 AMBER distance hydrogen bond simple



#
#  15   LEU    H  98   ARG  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 218,1567, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=0,
 &end
#
#  15   LEU    N  98   ARG  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 217,1567, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  16   ALA    H  23   TYR  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 360, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  16   ALA    N  23   TYR  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 360, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  23   TYR    H  16   ALA  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 245, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  23   TYR    N  16   ALA  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 245, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  25   ALA    H  14   VAL  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 216, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  25   ALA    N  14   VAL  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 216, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  28   LEU    H  78   PHE  O  2.30
 &rst
  ixpk= 0, nxpk= 0, iat= 428,1220, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  28   LEU    N  78   PHE  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 427,1220, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  30   ILE    H  39   THR  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 632, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  30   ILE    N  39   THR  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 632, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  31   TRP    H  76   SER  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 488,1180, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  31   TRP    N  76   SER  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 487,1180, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  56   ILE    H  40   SER  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 643, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  56   ILE    N  40   SER  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 853, 643, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  76   SER    H  31   TRP  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1171, 510, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  76   SER    N  31   TRP  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1170, 510, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  77   PHE    H  92   VAL  O  2.30
 &rst
  ixpk= 0, nxpk= 0, iat=1182,1460, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
#  77   PHE    N  92   VAL  O  3.30
 &rst
  ixpk= 0, nxpk= 0, iat=1181,1460, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  78   PHE    H  29   LYS  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1202, 467, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  78   PHE    N  29   LYS  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1201, 467, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  80   HIE    H  26   LYS  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1241, 407, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  80   HIE    N  26   LYS  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1240, 407, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  82   GLN    H  24   GLU  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1279, 375, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  82   GLN    N  24   GLU  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1278, 375, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  92   VAL    H  77   PHE  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1446,1200, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  92   VAL    N  77   PHE  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1445,1200, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  97   ILE    H  93   GLY  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1526,1467, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  97   ILE    N  93   GLY  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1525,1467, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  98   ARG    H  15   LEU  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1545, 235, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  98   ARG    N  15   LEU  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1544, 235, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 105   ILE    H 101   ASN  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1658,1612, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 105   ILE    N 101   ASN  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1657,1612, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 106   ALA    H 102   GLU  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1677,1627, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 106   ALA    N 102   GLU  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1676,1627, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 107   MET    H 103   GLU  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1687,1642, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 107   MET    N 103   GLU  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1686,1642, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 108   LYS    H 104   ASN  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1704,1656, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 108   LYS    N 104   ASN  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1703,1656, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 109   LYS    H 105   ILE  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1726,1675, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 109   LYS    N 105   ILE  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1725,1675, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 110   ARG    H 106   ALA  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1748,1685, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 110   ARG    N 106   ALA  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1747,1685, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 111   LEU    H 107   MET  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1772,1702, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 111   LEU    N 107   MET  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1771,1702, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 112   ALA    H 108   LYS  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1791,1724, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 112   ALA    N 108   LYS  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1790,1724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  31   TRP  HE1  72   ILE  O  2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 498,1126, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  31   TRP  NE1  72   ILE  O  3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 497,1126, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 108   LYS   HZ  24   GLU OE  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,
 igr1=1720,1721,1722,
 igr2= 372, 373,
 &end
#
# 108   LYS   NZ  24   GLU OE  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1719,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2= 372, 373,
 &end
#
#  80   HIE  HD2  89   ASP OD  2.00
 &rst
  ixpk= 0, nxpk= 0, iat=1254,  -1, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,
 igr2=1402,1403,
 &end
#
#  80   HIE  CD2  89   ASP OD  3.00
 &rst
  ixpk= 0, nxpk= 0, iat=1253,  -1, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr2=1402,1403,
 &end
#


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

Contact the webmaster for help, if required. Thursday, March 28, 2024 10:29:24 AM GMT (wattos1)