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
2795 1cld cing 1-original 5 XPLOR/CNS distance disulfide bond simple


! Cd-SG bonds
assign (resid  95 and name sg)(resid 126 and name cd) 2.60 0.05 0.05
assign (resid  98 and name sg)(resid 126 and name cd) 2.50 0.03 0.03
assign (resid 105 and name sg)(resid 126 and name cd) 2.50 0.03 0.03
assign (resid 112 and name sg)(resid 126 and name cd) 2.60 0.05 0.05
assign (resid  95 and name sg)(resid 127 and name cd) 2.60 0.05 0.05
assign (resid 112 and name sg)(resid 127 and name cd) 2.60 0.05 0.05
assign (resid 115 and name sg)(resid 127 and name cd) 2.50 0.03 0.03
assign (resid 122 and name sg)(resid 127 and name cd) 2.50 0.03 0.03

! Cd-Cd distances
assign (resid 126 and name cd)(resid 127 and name cd) 3.50 0.1 0.1

! tetrahedral restraints
assign (resid  95 and name sg)(resid  98 and name sg)  4.20 0.30 0.30
assign (resid  95 and name sg)(resid 105 and name sg)  4.20 0.30 0.30
assign (resid  95 and name sg)(resid 112 and name sg)  3.80 0.30 0.30
assign (resid  98 and name sg)(resid 105 and name sg)  4.20 0.30 0.30
assign (resid  98 and name sg)(resid 112 and name sg)  4.20 0.30 0.30
assign (resid 105 and name sg)(resid 112 and name sg)  4.20 0.30 0.30
assign (resid 115 and name sg)(resid  95 and name sg)  4.20 0.30 0.30
assign (resid 115 and name sg)(resid 112 and name sg)  4.20 0.30 0.30
assign (resid 115 and name sg)(resid 122 and name sg)  4.20 0.30 0.30
assign (resid 122 and name sg)(resid 112 and name sg)  4.20 0.30 0.30
assign (resid 122 and name sg)(resid  95 and name sg)  4.20 0.30 0.30

! SG-SG restraints
assign (resid  98 and name sg)(resid 115 and name sg) 6.20 0.25 0.25
assign (resid 105 and name sg)(resid 122 and name sg) 6.20 0.25 0.25
assign (resid  98 and name sg)(resid 122 and name sg) 7.40 0.40 0.40
assign (resid 105 and name sg)(resid 115 and name sg) 7.40 0.40 0.40



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