NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
591734 2mxe 25405 cing 1-original 4 AMBER distance hydrogen bond simple


#
#  5 LYS  HN      18 THR  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  76, 302, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 &end
#
# 18 THR  HN       5 LYS  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 290,  96, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  7 TYR  HN      16 ILE  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 273, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 16 ILE  HN       7 TYR  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 134, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  9 ASN  HN      14 GLU  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 238, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  6 GLN  HN      43 THR  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 700, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 43 THR  HN       6 GLN  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 113, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 41 TRP  HN      37 ALA  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 610, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 40 SER  HN      36 GLU  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 643, 600, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 39 GLU  HN      35 PRO  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 628, 585, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 32 LYS  HN      28 GLU  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 462, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 31 ALA  HN      27 LYS  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 447, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 30 LYS  HN      26 LEU  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 425, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 29 TRP  HN      25 THR  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 406, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 28 GLU  HN      24 LYS  O       1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 392, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 45 LEU  HN       4 VAL  O       1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 721,  74, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#  5 LYS  N      18 THR  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  75, 302, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 18 THR  N       5 LYS  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 289,  96, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  7 TYR  N      16 ILE  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 273, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 16 ILE  N       7 TYR  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 134, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  9 ASN  N      14 GLU  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 238, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#  6 GLN  N      43 THR  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  97, 700, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 43 THR  N       6 GLN  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 113, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 41 TRP  N      37 ALA  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 610, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 40 SER  N      36 GLU  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 600, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 39 GLU  N      35 PRO  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 627, 585, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 32 LYS  N      28 GLU  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 462, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 31 ALA  N      27 LYS  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 447, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 30 LYS  N      26 LEU  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 425, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 29 TRP  N      25 THR  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 406, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 28 GLU  N      24 LYS  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 392, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 45 LEU  N       4 VAL  O       2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 720,  74, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#


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

Contact the webmaster for help, if required. Monday, April 29, 2024 2:11:14 PM GMT (wattos1)