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
640035 6h3e 34303 cing 1-original 14 AMBER dihedral angle 

# 320 atoms read from pdb file ghrelinHE_mdl1_10.pdb.
# 2 SER OMEGA:  (1 GLY CA)-(1 GLY C)-(2 SER N)-(2 SER CA) 170.0 190.0
 &rst     iat =     2,     3,    10,    11,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	  rk2 =   2.0, rk3 =   2.0,				&end

# 3 ASP OMEGA:  (2 SER CA)-(2 SER C)-(3 ASP N)-(3 ASP CA) 170.0 190.0
 &rst     iat =    11,    12,    21,    22,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

# 4 PHE OMEGA:  (3 ASP CA)-(3 ASP C)-(4 PHE N)-(4 PHE CA) 170.0 190.0
 &rst     iat =    22,    23,    32,    33,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

# 5 LEU OMEGA:  (4 PHE CA)-(4 PHE C)-(5 LEU N)-(5 LEU CA) 170.0 190.0
 &rst     iat =    33,    34,    52,    53,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

# 6 SER OMEGA:  (5 LEU CA)-(5 LEU C)-(6 SER N)-(6 SER CA) 170.0 190.0
 &rst     iat =    53,    54,    71,    72,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

# 7 PRO OMEGA:  (6 SER CA)-(6 SER C)-(7 PRO N)-(7 PRO CA) 170.0 190.0
 &rst     iat =    72,    73,    82,    83,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

# 8 GLU OMEGA:  (7 PRO CA)-(7 PRO C)-(8 GLU N)-(8 GLU CA) 170.0 190.0
 &rst     iat =    83,    84,    96,    97,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

# 9 HIS OMEGA:  (8 GLU CA)-(8 GLU C)-(9 HIS N)-(9 HIS CA) 170.0 190.0
 &rst     iat =    97,    98,   111,   112,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

# 10 GLN OMEGA:  (9 HIS CA)-(9 HIS C)-(10 GLN N)-(10 GLN CA) 170.0 190.0
 &rst     iat =   112,   113,   128,   129,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

# 11 ARG OMEGA:  (10 GLN CA)-(10 GLN C)-(11 ARG N)-(11 ARG CA) 170.0 190.0
 &rst     iat =   129,   130,   145,   146,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

# 12 VAL OMEGA:  (11 ARG CA)-(11 ARG C)-(12 VAL N)-(12 VAL CA) 170.0 190.0
 &rst     iat =   146,   147,   169,   170,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

# 13 GLN OMEGA:  (12 VAL CA)-(12 VAL C)-(13 GLN N)-(13 GLN CA) 170.0 190.0
 &rst     iat =   170,   171,   185,   186,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

# 14 GLN OMEGA:  (13 GLN CA)-(13 GLN C)-(14 GLN N)-(14 GLN CA) 170.0 190.0
 &rst     iat =   186,   187,   202,   203,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

# 15 ARG OMEGA:  (14 GLN CA)-(14 GLN C)-(15 ARG N)-(15 ARG CA) 170.0 190.0
 &rst     iat =   203,   204,   219,   220,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

# 16 LYS OMEGA:  (15 ARG CA)-(15 ARG C)-(16 LYS N)-(16 LYS CA) 170.0 190.0
 &rst     iat =   220,   221,   243,   244,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

# 17 GLU OMEGA:  (16 LYS CA)-(16 LYS C)-(17 GLU N)-(17 GLU CA) 170.0 190.0
 &rst     iat =   244,   245,   265,   266,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

# 18 SER OMEGA:  (17 GLU CA)-(17 GLU C)-(18 SER N)-(18 SER CA) 170.0 190.0
 &rst     iat =   266,   267,   280,   281,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

# 20 OCT OMEGA:  (3 ASP CB)-(3 ASP CG)-(20 OCT N)-(20 OCT C1) 170.0 190.0
 &rst     iat =   25,   26,   295,   296,
	  r1 = 169.0, r2 = 170.0, r3 = 190.0, r4 = 191.0,
	&end

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

Contact the webmaster for help, if required. Monday, May 6, 2024 9:50:16 AM GMT (wattos1)