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
491297 2hou cing 1-original 2 AMBER distance hydrogen bond simple


# 1 CYT H42 26 GUA O6 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 796, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=0.0, rk3=50.0, ir6=1, ialtd=0,
 /
#
# 1 CYT N3 26 GUA H1 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  20, 798, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 1 CYT N3 26 GUA N1 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  20, 797, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 1 CYT N4 26 GUA O6 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 796, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 1 CYT O2 26 GUA H22 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  22, 802, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 2 CYT H42 25 GUA O6 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 763, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 2 CYT N3 25 GUA H1 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 765, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 2 CYT N3 25 GUA N1 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 764, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 2 CYT N4 25 GUA O6 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat=  47, 763, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 2 CYT O2 25 GUA H22 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 769, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 3 ADE H61 24 THY O4 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 734, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 3 ADE N1 24 THY H3 1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 736, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  /
#
# 3 ADE N1 24 THY N3 2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  80, 735, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  /
#
# 4 ADE H61 23 THY O4 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 702, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 4 ADE N1 23 THY H3 1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 704, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  /
#
# 4 ADE N1 23 THY N3 2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 112, 703, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  /
#
# 5 ADE H61 22 THY O4 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 670, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 5 ADE N1 22 THY H3 1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 672, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  /
#
# 5 ADE N1 22 THY N3 2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 671, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  /
#
# 6 GUA H1 21 CYT N3 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 175, 640, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 6 GUA H22 21 CYT O2 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 642, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 6 GUA N1 21 CYT N3 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 640, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 6 GUA O6 21 CYT H42 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 639, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 6 GUA O6 21 CYT N4 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 637, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 8 ADE H61 19 THY O4 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 576, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 8 ADE N1 19 THY H3 1.71 1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 578, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  /
#
# 8 ADE N1 19 THY N3 2.72 2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 577, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  /
#
# 9 CYT H42 18 GUA O6 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 540, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 9 CYT N3 18 GUA H1 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 542, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 9 CYT N3 18 GUA N1 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 262, 541, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 9 CYT N4 18 GUA O6 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 540, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 9 CYT O2 18 GUA H22 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 264, 546, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 10 CYT H42 17 GUA O6 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 507, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 10 CYT N3 17 GUA H1 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 509, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 10 CYT N3 17 GUA N1 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 508, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 10 CYT N4 17 GUA O6 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 507, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 10 CYT O2 17 GUA H22 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 513, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 11 GUA H1 16 CYT N3 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 480, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 11 GUA H22 16 CYT O2 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 482, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 11 GUA N1 16 CYT N3 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 480, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 11 GUA O6 16 CYT H42 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 479, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 11 GUA O6 16 CYT N4 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 319, 477, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 12 GUA H1 15 CYT N3 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 450, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 12 GUA H22 15 CYT O2 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 452, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 12 GUA N1 15 CYT N3 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 450, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 12 GUA O6 15 CYT H42 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 449, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 12 GUA O6 15 CYT N4 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 447, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /
#
# 13 GUA H1 14 CYT N3 1.84 2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 420, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  /
#
# 13 GUA H22 14 CYT O2 1.75 1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 422, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  /
#
# 13 GUA N1 14 CYT N3 2.85 3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 420, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  /
#
# 13 GUA O6 14 CYT H42 1.8 2
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 419, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  /
#
# 13 GUA O6 14 CYT N4 2.81 3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 417, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  /


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

Contact the webmaster for help, if required. Thursday, April 18, 2024 7:43:20 PM GMT (wattos1)