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
11056 1qvk 6041 cing 1-original 4 AMBER stereochemistry chirality




#
#
############### chirality and trans omega restraints ################
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#
#
#
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#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=3,8,6,7, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., rk3=150.,  &end
#
#  chirality for residue 1 atoms:  CB CD HG2 HG3
 &rst iat=5,11,9,10, &end
#
#  chirality for residue 1 atoms:  CG NE HD2 HD3
 &rst iat=8,14,12,13, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,23,4,5, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=27,32,30,31, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=29,35,33,34, &end
#
#  chirality for residue 2 atoms:  CG NE HD2 HD3
 &rst iat=32,38,36,37, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=25,47,28,29, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=51,56,54,55, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=49,71,52,53, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=75,80,78,79, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=73,95,76,77, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=99,104,102,103, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=101,107,105,106, &end
#
#  chirality for residue 5 atoms:  CG NE HD2 HD3
 &rst iat=104,110,108,109, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=97,119,100,101, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=123,128,126,127, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=121,139,124,125, &end
#
#  trans-omega constraint for residue 1
 &rst iat=3,1,139,123, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3= 150.,
 &end
#
#  trans-omega constraint for residue 2
 &rst iat=27,25,23,3, &end 
#
#  trans-omega constraint for residue 3
 &rst iat=51,49,47,27, &end
#
#  trans-omega constraint for residue 4
 &rst iat=75,73,71,51, &end
#
#  trans-omega constraint for residue 5
 &rst iat=99,97,95,75, &end
#
#  trans-omega constraint for residue 6
 &rst iat=123,121,119,99, &end
#
#



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