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

621748 5ov2 34174 cing 1-original 5 AMBER planarity
# PLANARITY RESTRAINTS 
# 
# FIRST QUARTET: 1-6-20-16 
#2

# 3-9 
#  planarity restraint:  N9 N7 N1 N3 
 &rst iat=1,1,6,6, atnam(1)='N9', atnam(2)='N7', 
     atnam(3)='N1', atnam(4)='N3', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C5 C2 N7 C4 
 &rst iat=1,1,6,6, atnam(1)='C5', atnam(2)='C2', 
     atnam(3)='N7', atnam(4)='C4', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C2 C8 C2 C8 
 &rst iat=1,1,6,6, atnam(1)='C2', atnam(2)='C8', 
     atnam(3)='C2', atnam(4)='C8', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
# 9-20 
#  planarity restraints:  N9 N7 N1 N3 
 &rst iat=6,6,20,20, atnam(1)='N9', atnam(2)='N7', 
     atnam(3)='N1', atnam(4)='N3', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C5 C2 N7 C4 
 &rst iat=6,6,20,20, atnam(1)='C5', atnam(2)='C2', 
     atnam(3)='N7', atnam(4)='C4', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C2 C8 C2 C8 
 &rst iat=6,6,20,20, atnam(1)='C2', atnam(2)='C8', 
     atnam(3)='C2', atnam(4)='C8', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
      
# 20-16    
#  planarity restraint:  N9 N7 N1 N3 
 &rst iat=20,20,16,16, atnam(1)='N9', atnam(2)='N7', 
     atnam(3)='N1', atnam(4)='N3', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C5 C2 N7 C4 
 &rst iat=20,20,16,16, atnam(1)='C5', atnam(2)='C2', 
     atnam(3)='N7', atnam(4)='C4', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C2 C8 C2 C8 
 &rst iat=20,20,16,16, atnam(1)='C2', atnam(2)='C8', 
     atnam(3)='C2', atnam(4)='C8', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
# 16-1 
#  planarity restraints:  N9 N7 N1 N3 
 &rst iat=16,16,1,1, atnam(1)='N9', atnam(2)='N7', 
     atnam(3)='N1', atnam(4)='N3', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C5 C2 N7 C4 
 &rst iat=16,16,1,1, atnam(1)='C5', atnam(2)='C2', 
     atnam(3)='N7', atnam(4)='C4', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C2 C8 C2 C8 
 &rst iat=16,16,1,1, atnam(1)='C2', atnam(2)='C8', 
     atnam(3)='C2', atnam(4)='C8', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
 
 
 
 
#  SECOND QUARTET: 2-7-15-21 
# 2-7 
#  planarity restraint:  N9 N7 N1 N3 
 &rst iat=2,2,7,7, atnam(1)='N9', atnam(2)='N7', 
     atnam(3)='N1', atnam(4)='N3', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C5 C2 N7 C4 
 &rst iat=2,2,7,7, atnam(1)='C5', atnam(2)='C2', 
     atnam(3)='N7', atnam(4)='C4', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C2 C8 C2 C8 
 &rst iat=2,2,7,7, atnam(1)='C2', atnam(2)='C8', 
     atnam(3)='C2', atnam(4)='C8', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
      
# 7-21      
#  planarity restraints:  N9 N7 N1 N3 
 &rst iat=7,7,21,21, atnam(1)='N9', atnam(2)='N7', 
     atnam(3)='N1', atnam(4)='N3', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C5 C2 N7 C4 
 &rst iat=7,7,21,21, atnam(1)='C5', atnam(2)='C2', 
     atnam(3)='N7', atnam(4)='C4', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C2 C8 C2 C8 
 &rst iat=7,7,21,21, atnam(1)='C2', atnam(2)='C8', 
     atnam(3)='C2', atnam(4)='C8', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
# 21-15 
#  planarity restraints:  N9 N7 N1 N3 
 &rst iat=21,21,15,15, atnam(1)='N9', atnam(2)='N7', 
     atnam(3)='N1', atnam(4)='N3', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C5 C2 N7 C4 
 &rst iat=21,21,15,15, atnam(1)='C5', atnam(2)='C2', 
     atnam(3)='N7', atnam(4)='C4', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C2 C8 C2 C8 
 &rst iat=21,21,15,15, atnam(1)='C2', atnam(2)='C8', 
     atnam(3)='C2', atnam(4)='C8', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
# 15-2 
#  planarity restraints:  N9 N7 N1 N3 
 &rst iat=15,15,2,2, atnam(1)='N9', atnam(2)='N7', 
     atnam(3)='N1', atnam(4)='N3', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C5 C2 N7 C4 
 &rst iat=15,15,2,2, atnam(1)='C5', atnam(2)='C2', 
     atnam(3)='N7', atnam(4)='C4', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C2 C8 C2 C8 
 &rst iat=15,15,2,2, atnam(1)='C2', atnam(2)='C8', 
     atnam(3)='C2', atnam(4)='C8', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
 
# 
#THIRD QUARTET: 3-8-22-14 
# 3-8 
#  planarity restraint:  N9 N7 N1 N3 
 &rst iat=3,3,8,8, atnam(1)='N9', atnam(2)='N7', 
     atnam(3)='N1', atnam(4)='N3', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C5 C2 N7 C4 
 &rst iat=3,3,8,8, atnam(1)='C5', atnam(2)='C2', 
     atnam(3)='N7', atnam(4)='C4', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C2 C8 C2 C8 
 &rst iat=3,3,8,8, atnam(1)='C2', atnam(2)='C8', 
     atnam(3)='C2', atnam(4)='C8', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
# 8-22 
#  planarity restraints:  N9 N7 N1 N3 
 &rst iat=8,8,22,22, atnam(1)='N9', atnam(2)='N7', 
     atnam(3)='N1', atnam(4)='N3', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C5 C2 N7 C4 
 &rst iat=8,8,22,22, atnam(1)='C5', atnam(2)='C2', 
     atnam(3)='N7', atnam(4)='C4', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C2 C8 C2 C8 
 &rst iat=8,8,22,22, atnam(1)='C2', atnam(2)='C8', 
     atnam(3)='C2', atnam(4)='C8', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
 
# 22-14 
#  planarity restraints:  N9 N7 N1 N3 
 &rst iat=22,22,14,14, atnam(1)='N9', atnam(2)='N7', 
     atnam(3)='N1', atnam(4)='N3', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C5 C2 N7 C4 
 &rst iat=22,22,14,14, atnam(1)='C5', atnam(2)='C2', 
     atnam(3)='N7', atnam(4)='C4', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C2 C8 C2 C8 
 &rst iat=22,22,14,14, atnam(1)='C2', atnam(2)='C8', 
     atnam(3)='C2', atnam(4)='C8', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
 
# 14-3 
#  planarity restraints:  N9 N7 N1 N3 
 &rst iat=14,14,3,3, atnam(1)='N9', atnam(2)='N7', 
     atnam(3)='N1', atnam(4)='N3', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C5 C2 N7 C4 
 &rst iat=14,14,3,3, atnam(1)='C5', atnam(2)='C2', 
     atnam(3)='N7', atnam(4)='C4', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
 
#  planarity restraint:  C2 C8 C2 C8 
 &rst iat=14,14,3,3, atnam(1)='C2', atnam(2)='C8', 
     atnam(3)='C2', atnam(4)='C8', 
     r1=350.0, r2=355.0, r3=365.0, r4=370.0, 
     rk2=30.0, rk3=30.0, nstep1=0,  nstep2=0, iresid=1, &end
Please acknowledge these references in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Saturday, April 20, 2024 4:31:41 AM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	621748	5ov2	34174	cing	1-original	5	AMBER	planarity