NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
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608175 |
5lig   |
34025 | cing | 1-original | 1 | AMBER | distance | hydrogen bond | simple |
# Restraints file 1: hydrogen_bond_restraint.mr
#Hydrogen bond restraint
#
# 7 GUA H1 12 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 214, 375, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,
rk2=40.0, rk3=40.0, nstep1 = 0, nstep2 = 200000,ir6=1, ialtd=0,
&end
#
# 7 GUA H22 12 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 218, 372, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 12 GUA H1 16 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 377, 506, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 12 GUA H22 16 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 381, 503, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 16 GUA H1 3 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 508, 81, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 16 GUA H22 3 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 512, 78, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 3 GUA H1 7 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 83, 212, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 3 GUA H22 7 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 87, 209, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 8 GUA H1 13 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 247, 408, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 8 GUA H22 13 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 251, 405, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 13 GUA H1 17 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 410, 539, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 13 GUA H22 17 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 414, 536, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 17 GUA H1 4 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 541, 114, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 17 GUA H22 4 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 545, 111, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 4 GUA H1 8 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 116, 245, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 4 GUA H22 8 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 120, 242, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 9 GUA H1 14 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 280, 441, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 9 GUA H22 14 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 284, 438, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 14 GUA H1 18 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 443, 572, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 14 GUA H22 18 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 447, 569, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 18 GUA H1 5 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 574, 147, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 18 GUA H22 5 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 578, 144, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 5 GUA H1 9 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 149, 278, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 5 GUA H22 9 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 153, 275, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end# Restraints file 2: Torsion_angle_restraint.mr
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