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

527932 2l9i 17458 cing 1-original 4 AMBER dihedral angle
#   ALPHA HELIX PHI/PSI RESTRAINTS FOR RESIDUES 12 - 28 

# helix phi for residue 12
# 12 ILE PHI:  (11 GLU C)-(12 ILE N)-(12 ILE CA)-(12 ILE C) 270.0 330.0
 &rst     iat =   127,   129,   131,   146,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 12
# 12 ILE PSI:  (12 ILE N)-(12 ILE CA)-(12 ILE C)-(13 THR N) 285.0 345.0
 &rst     iat =   129,   131,   146,   148,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 13
# 13 THR PHI:  (12 ILE C)-(13 THR N)-(13 THR CA)-(13 THR C) 270.0 330.0
 &rst     iat =   146,   148,   150,   160,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 13
# 13 THR PSI:  (13 THR N)-(13 THR CA)-(13 THR C)-(14 THR N) 285.0 345.0
 &rst     iat =   148,   150,   160,   162,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 14
# 14 THR PHI:  (13 THR C)-(14 THR N)-(14 THR CA)-(14 THR C) 270.0 330.0
 &rst     iat =   160,   162,   164,   174,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 14
# 14 THR PSI:  (14 THR N)-(14 THR CA)-(14 THR C)-(15 LYS N) 285.0 345.0
 &rst     iat =   162,   164,   174,   176,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 15
# 15 LYS PHI:  (14 THR C)-(15 LYS N)-(15 LYS CA)-(15 LYS C) 270.0 330.0
 &rst     iat =   174,   176,   178,   196,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 15
# 15 LYS PSI:  (15 LYS N)-(15 LYS CA)-(15 LYS C)-(16 ASP N) 285.0 345.0
 &rst     iat =   176,   178,   196,   198,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 16
# 16 ASP PHI:  (15 LYS C)-(16 ASP N)-(16 ASP CA)-(16 ASP C) 270.0 330.0
 &rst     iat =   196,   198,   200,   208,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 16
# 16 ASP PSI:  (16 ASP N)-(16 ASP CA)-(16 ASP C)-(17 LEU N) 285.0 345.0
 &rst     iat =   198,   200,   208,   210,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 17
# 17 LEU PHI:  (16 ASP C)-(17 LEU N)-(17 LEU CA)-(17 LEU C) 270.0 330.0
 &rst     iat =   208,   210,   212,   227,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 17
# 17 LEU PSI:  (17 LEU N)-(17 LEU CA)-(17 LEU C)-(18 LYS N) 285.0 345.0
 &rst     iat =   210,   212,   227,   229,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 18
# 18 LYS PHI:  (17 LEU C)-(18 LYS N)-(18 LYS CA)-(18 LYS C) 270.0 330.0
 &rst     iat =   227,   229,   231,   249,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 18
# 18 LYS PSI:  (18 LYS N)-(18 LYS CA)-(18 LYS C)-(19 GLU N) 285.0 345.0
 &rst     iat =   229,   231,   249,   251,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 19
# 19 GLU PHI:  (18 LYS C)-(19 GLU N)-(19 GLU CA)-(19 GLU C) 270.0 330.0
 &rst     iat =   249,   251,   253,   264,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 19
# 19 GLU PSI:  (19 GLU N)-(19 GLU CA)-(19 GLU C)-(20 LYS N) 285.0 345.0
 &rst     iat =   251,   253,   264,   266,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 20
# 20 LYS PHI:  (19 GLU C)-(20 LYS N)-(20 LYS CA)-(20 LYS C) 270.0 330.0
 &rst     iat =   264,   266,   268,   286,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 20
# 20 LYS PSI:  (20 LYS N)-(20 LYS CA)-(20 LYS C)-(21 LYS N) 285.0 345.0
 &rst     iat =   266,   268,   286,   288,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 21
# 21 LYS PHI:  (20 LYS C)-(21 LYS N)-(21 LYS CA)-(21 LYS C) 270.0 330.0
 &rst     iat =   286,   288,   290,   308,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 21
# 21 LYS PSI:  (21 LYS N)-(21 LYS CA)-(21 LYS C)-(22 GLU N) 285.0 345.0
 &rst     iat =   288,   290,   308,   310,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 22
# 22 GLU PHI:  (21 LYS C)-(22 GLU N)-(22 GLU CA)-(22 GLU C) 270.0 330.0
 &rst     iat =   308,   310,   312,   323,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 22
# 22 GLU PSI:  (22 GLU N)-(22 GLU CA)-(22 GLU C)-(23 VAL N) 285.0 345.0
 &rst     iat =   310,   312,   323,   325,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 23
# 23 VAL PHI:  (22 GLU C)-(23 VAL N)-(23 VAL CA)-(23 VAL C) 270.0 330.0
 &rst     iat =   323,   325,   327,   339,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 23
# 23 VAL PSI:  (23 VAL N)-(23 VAL CA)-(23 VAL C)-(24 VAL N) 285.0 345.0
 &rst     iat =   325,   327,   339,   341,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 24
# 24 VAL PHI:  (23 VAL C)-(24 VAL N)-(24 VAL CA)-(24 VAL C) 270.0 330.0
 &rst     iat =   339,   341,   343,   355,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 24
# 24 VAL PSI:  (24 VAL N)-(24 VAL CA)-(24 VAL C)-(25 GLU N) 285.0 345.0
 &rst     iat =   341,   343,   355,   357,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 25
# 25 GLU PHI:  (24 VAL C)-(25 GLU N)-(25 GLU CA)-(25 GLU C) 270.0 330.0
 &rst     iat =   355,   357,   359,   370,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 25
# 25 GLU PSI:  (25 GLU N)-(25 GLU CA)-(25 GLU C)-(26 GLU N) 285.0 345.0
 &rst     iat =   357,   359,   370,   372,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 26
# 26 GLU PHI:  (25 GLU C)-(26 GLU N)-(26 GLU CA)-(26 GLU C) 270.0 330.0
 &rst     iat =   370,   372,   374,   385,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 26
# 26 GLU PSI:  (26 GLU N)-(26 GLU CA)-(26 GLU C)-(27 ALA N) 285.0 345.0
 &rst     iat =   372,   374,   385,   387,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 27
# 27 ALA PHI:  (26 GLU C)-(27 ALA N)-(27 ALA CA)-(27 ALA C) 270.0 330.0
 &rst     iat =   385,   387,   389,   395,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 27
# 27 ALA PSI:  (27 ALA N)-(27 ALA CA)-(27 ALA C)-(28 GLU N) 285.0 345.0
 &rst     iat =   387,   389,   395,   397,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix phi for residue 28
# 28 GLU PHI:  (27 ALA C)-(28 GLU N)-(28 GLU CA)-(28 GLU C) 270.0 330.0
 &rst     iat =   395,   397,   399,   410,
   r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0,
 rk2 =  500.0, rk3 =  500.0,    &end

# helix psi for residue 28
# 28 GLU PSI:  (28 GLU N)-(28 GLU CA)-(28 GLU C)-(29 ASN N) 285.0 345.0
 &rst     iat =   397,   399,   410,   412,
   r1 = 284.0, r2 = 285.0, r3 = 345.0, r4 = 346.0,
 rk2 =  500.0, rk3 =  500.0,    &end
Please acknowledge these references in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Monday, April 29, 2024 12:05:31 PM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	527932	2l9i	17458	cing	1-original	4	AMBER	dihedral angle