NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage position program type
17108 2b9k cing 1-original 4 AMBER dihedral angle 

#
# 13 ALA PHI:  (12 PHE C)-(13 ALA N)-(13 ALA CA)-(13 ALA C) -90.0 -40.0
 &rst     iat =   184,   186,   188,   194,
	  r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
	  rk2 =   50.0, rk3 =   50.0,				&end

# 18 LEU PHI:  (17 VAL C)-(18 LEU N)-(18 LEU CA)-(18 LEU C) -160.0 -80.0
 &rst     iat =   251,   253,   255,   270,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 21 THR PHI:  (20 GLY C)-(21 THR N)-(21 THR CA)-(21 THR C) -169.0 -109.0
 &rst     iat =   289,   291,   293,   303,
	  r1 = -170.0, r2 = -169.0, r3 = -109.0, r4 = -108.0,
	&end

# 23 TRP PHI:  (22 LYS C)-(23 TRP N)-(23 TRP CA)-(23 TRP C) -160.0 -80.0
 &rst     iat =   325,   327,   329,   349,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 26 LYS PHI:  (25 PHE C)-(26 LYS N)-(26 LYS CA)-(26 LYS C) -160.0 -80.0
 &rst     iat =   388,   390,   392,   410,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 30 TYR PHI:  (29 TYR C)-(30 TYR N)-(30 TYR CA)-(30 TYR C) -160.0 -80.0
 &rst     iat =   464,   466,   468,   485,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 31 ASP PHI:  (30 TYR C)-(31 ASP N)-(31 ASP CA)-(31 ASP C) -160.0 -80.0
 &rst     iat =   485,   487,   489,   497,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 32 SER PHI:  (31 ASP C)-(32 SER N)-(32 SER CA)-(32 SER C) -90.0 -40.0
 &rst     iat =   497,   499,   501,   508,
	  r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
	&end

# 37 TRP PHI:  (36 TYR C)-(37 TRP N)-(37 TRP CA)-(37 TRP C) -160.0 -80.0
 &rst     iat =   569,   571,   573,   593,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 38 VAL PHI:  (37 TRP C)-(38 VAL N)-(38 VAL CA)-(38 VAL C) -160.0 -80.0
 &rst     iat =   593,   595,   597,   609,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 41 TYR PHI:  (40 ILE C)-(41 TYR N)-(41 TYR CA)-(41 TYR C) -160.0 -80.0
 &rst     iat =   635,   637,   639,   656,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 42 GLU PHI:  (41 TYR C)-(42 GLU N)-(42 GLU CA)-(42 GLU C) -160.0 -80.0
 &rst     iat =   656,   658,   660,   671,
	  r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
	&end

# 3 LYS PHI:  (2 ILE C)-(3 LYS N)-(3 LYS CA)-(3 LYS C) -160.0 -80.0
 &rst     iat =    30,    32,    34,    52,
          r1 = -161.0, r2 = -160.0, r3 = -80.0, r4 = -79.0,
          &end

# 18 LEU PSI:  (18 LEU N)-(18 LEU CA)-(18 LEU C)-(19 ASP N) 105.0 165.0
 &rst     iat =   253,   255,   270,   272,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

# 19 ASP PHI:  (18 LEU C)-(19 ASP N)-(19 ASP CA)-(19 ASP C)  20.0 100.0
 &rst     iat =   270,   272,   274,   282,
	  r1 =  19.0, r2 =  20.0, r3 = 100.0, r4 = 101.0,
	&end

# 19 ASP PSI:  (19 ASP N)-(19 ASP CA)-(19 ASP C)-(20 GLY N) -20.0 120.0
 &rst     iat =   272,   274,   282,   284,
	  r1 = -21.0, r2 = -20.0, r3 = 120.0, r4 = 121.0,
	&end
#
# 20 GLY PSI:  (20 GLY N)-(20 GLY CA)-(20 GLY C)-(21 THR N) -20.0 120.0
 &rst     iat =   284,   286,   289,   291,
	  r1 = -21.0, r2 = -20.0, r3 = 120.0, r4 = 121.0,
	&end

# 20 GLY PHI:  (19 ASP C)-(20 GLY N)-(20 GLY CA)-(20 GLY C)  20.0 120.0
 &rst     iat =   282,   284,   286,   289,
	  r1 =  19.0, r2 =  20.0, r3 = 120.0, r4 = 121.0,
	&end

# 21 THR PSI:  (21 THR N)-(21 THR CA)-(21 THR C)-(22 LYS N) 105.0 165.0
 &rst     iat =   291,   293,   303,   305,
	  r1 = 104.0, r2 = 105.0, r3 = 165.0, r4 = 166.0,
	&end

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

Contact the webmaster for help, if required. Thursday, April 25, 2024 6:37:21 AM GMT (wattos1)