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
588787 2rv4 11484 cing 1-original 4 AMBER dihedral angle


# 591 atoms read from pdb file leap.pdb.
# 10 GLN CHI1:  (10 GLN N)-(10 GLN CA)-(10 GLN CB)-(10 GLN CG) -90.0 -30.0
 &rst     iat =   109,   111,   113,   116,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 11 HIS PHI:  (10 GLN C)-(11 HID N)-(11 HID CA)-(11 HID C) -136.0 -76.0
 &rst     iat =   124,   126,   128,   141,
   r1 = -137.0, r2 = -136.0, r3 = -76.0, r4 = -75.0,
 &end
# 11 HIS PSI:  (11 HID N)-(11 HID CA)-(11 HID C)-(12 CYM N)  93.0 153.0
 &rst     iat =   126,   128,   141,   143,
   r1 =  92.0, r2 =  93.0, r3 = 153.0, r4 = 154.0,
 &end
# 12 CYS CHI1:  (12 CYM N)-(12 CYM CA)-(12 CYM CB)-(12 CYM SG) 150.0 210.0
 &rst     iat =   143,   145,   147,   150,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 14 PHE CHI1:  (14 PHE N)-(14 PHE CA)-(14 PHE CB)-(14 PHE CG) -90.0 -30.0
 &rst     iat =   177,   179,   181,   184,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 15 CYS CHI1:  (15 CYM N)-(15 CYM CA)-(15 CYM CB)-(15 CYM SG)  30.0  90.0
 &rst     iat =   197,   199,   201,   204,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end
# 16 LYS CHI1:  (16 LYS N)-(16 LYS CA)-(16 LYS CB)-(16 LYS CG) -90.0 -30.0
 &rst     iat =   207,   209,   211,   214,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 18 LYS PHI:  (17 LYS C)-(18 LYS N)-(18 LYS CA)-(18 LYS C) -132.0 -72.0
 &rst     iat =   249,   251,   253,   271,
   r1 = -133.0, r2 = -132.0, r3 = -72.0, r4 = -71.0,
 &end
# 18 LYS PSI:  (18 LYS N)-(18 LYS CA)-(18 LYS C)-(19 TYR N) 107.0 167.0
 &rst     iat =   251,   253,   271,   273,
   r1 = 106.0, r2 = 107.0, r3 = 167.0, r4 = 168.0,
 &end
# 19 TYR PHI:  (18 LYS C)-(19 TYR N)-(19 TYR CA)-(19 TYR C) -139.0 -79.0
 &rst     iat =   271,   273,   275,   292,
   r1 = -140.0, r2 = -139.0, r3 = -79.0, r4 = -78.0,
 &end
# 19 TYR PSI:  (19 TYR N)-(19 TYR CA)-(19 TYR C)-(20 SER N) 110.0 170.0
 &rst     iat =   273,   275,   292,   294,
   r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0,
 &end
# 23 LYS PHI:  (22 VAL C)-(23 LYS N)-(23 LYS CA)-(23 LYS C) -94.6 -34.6
 &rst     iat =   331,   333,   335,   353,
   r1 = -95.6, r2 = -94.6, r3 = -34.6, r4 = -33.6,
 &end
# 23 LYS PSI:  (23 LYS N)-(23 LYS CA)-(23 LYS C)-(24 ASN N) -66.2  -6.2
 &rst     iat =   333,   335,   353,   355,
   r1 = -67.2, r2 = -66.2, r3 =  -6.2, r4 =  -5.2,
 &end
# 24 ASN PHI:  (23 LYS C)-(24 ASN N)-(24 ASN CA)-(24 ASN C) -95.6 -35.6
 &rst     iat =   353,   355,   357,   367,
   r1 = -96.6, r2 = -95.6, r3 = -35.6, r4 = -34.6,
 &end
# 24 ASN PSI:  (24 ASN N)-(24 ASN CA)-(24 ASN C)-(25 LEU N) -69.5  -9.5
 &rst     iat =   355,   357,   367,   369,
   r1 = -70.5, r2 = -69.5, r3 =  -9.5, r4 =  -8.5,
 &end
# 25 LEU CHI1:  (25 LEU N)-(25 LEU CA)-(25 LEU CB)-(25 LEU CG) 150.0 210.0
 &rst     iat =   369,   371,   373,   376,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 25 LEU PHI:  (24 ASN C)-(25 LEU N)-(25 LEU CA)-(25 LEU C) -97.1 -37.1
 &rst     iat =   367,   369,   371,   386,
   r1 = -98.1, r2 = -97.1, r3 = -37.1, r4 = -36.1,
 &end
# 25 LEU PSI:  (25 LEU N)-(25 LEU CA)-(25 LEU C)-(26 ILE N) -71.1 -11.1
 &rst     iat =   369,   371,   386,   388,
   r1 = -72.1, r2 = -71.1, r3 = -11.1, r4 = -10.1,
 &end
# 26 ILE PHI:  (25 LEU C)-(26 ILE N)-(26 ILE CA)-(26 ILE C) -96.3 -36.3
 &rst     iat =   386,   388,   390,   405,
   r1 = -97.3, r2 = -96.3, r3 = -36.3, r4 = -35.3,
 &end
# 26 ILE PSI:  (26 ILE N)-(26 ILE CA)-(26 ILE C)-(27 LYS N) -71.8 -11.8
 &rst     iat =   388,   390,   405,   407,
   r1 = -72.8, r2 = -71.8, r3 = -11.8, r4 = -10.8,
 &end
# 27 LYS PHI:  (26 ILE C)-(27 LYS N)-(27 LYS CA)-(27 LYS C) -93.8 -33.8
 &rst     iat =   405,   407,   409,   427,
   r1 = -94.8, r2 = -93.8, r3 = -33.8, r4 = -32.8,
 &end
# 27 LYS PSI:  (27 LYS N)-(27 LYS CA)-(27 LYS C)-(28 HID N) -71.3 -11.3
 &rst     iat =   407,   409,   427,   429,
   r1 = -72.3, r2 = -71.3, r3 = -11.3, r4 = -10.3,
 &end
# 28 HIS PHI:  (27 LYS C)-(28 HID N)-(28 HID CA)-(28 HID C) -94.9 -34.9
 &rst     iat =   427,   429,   431,   444,
   r1 = -95.9, r2 = -94.9, r3 = -34.9, r4 = -33.9,
 &end
# 28 HIS PSI:  (28 HID N)-(28 HID CA)-(28 HID C)-(29 ILE N) -74.8 -14.8
 &rst     iat =   429,   431,   444,   446,
   r1 = -75.8, r2 = -74.8, r3 = -14.8, r4 = -13.8,
 &end
# 29 ILE PHI:  (28 HID C)-(29 ILE N)-(29 ILE CA)-(29 ILE C) -95.2 -35.2
 &rst     iat =   444,   446,   448,   463,
   r1 = -96.2, r2 = -95.2, r3 = -35.2, r4 = -34.2,
 &end
# 29 ILE PSI:  (29 ILE N)-(29 ILE CA)-(29 ILE C)-(30 ARG N) -67.6  -7.6
 &rst     iat =   446,   448,   463,   465,
   r1 = -68.6, r2 = -67.6, r3 =  -7.6, r4 =  -6.6,
 &end
# 30 ARG PHI:  (29 ILE C)-(30 ARG N)-(30 ARG CA)-(30 ARG C) -95.0 -35.0
 &rst     iat =   463,   465,   467,   487,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end
# 30 ARG PSI:  (30 ARG N)-(30 ARG CA)-(30 ARG C)-(31 ASP N) -66.6  -6.6
 &rst     iat =   465,   467,   487,   489,
   r1 = -67.6, r2 = -66.6, r3 =  -6.6, r4 =  -5.6,
 &end
# 31 ASP PHI:  (30 ARG C)-(31 ASP N)-(31 ASP CA)-(31 ASP C) -102.0 -42.0
 &rst     iat =   487,   489,   491,   499,
   r1 = -103.0, r2 = -102.0, r3 = -42.0, r4 = -41.0,
 &end
# 31 ASP PSI:  (31 ASP N)-(31 ASP CA)-(31 ASP C)-(32 MET N) -57.0   3.0
 &rst     iat =   489,   491,   499,   501,
   r1 = -58.0, r2 = -57.0, r3 =   3.0, r4 =   4.0,
 &end
# 32 MET CHI1:  (32 MET N)-(32 MET CA)-(32 MET CB)-(32 MET CG) -90.0 -30.0
 &rst     iat =   501,   503,   505,   508,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 32 MET PHI:  (31 ASP C)-(32 MET N)-(32 MET CA)-(32 MET C) -111.9 -51.9
 &rst     iat =   499,   501,   503,   516,
   r1 = -112.9, r2 = -111.9, r3 = -51.9, r4 = -50.9,
 &end
# 32 MET PSI:  (32 MET N)-(32 MET CA)-(32 MET C)-(33 HID N) -48.9  11.1
 &rst     iat =   501,   503,   516,   518,
   r1 = -49.9, r2 = -48.9, r3 =  11.1, r4 =  12.1,
 &end
# 33 HIS CHI1:  (33 HID N)-(33 HID CA)-(33 HID CB)-(33 HID CG) -90.0 -30.0
 &rst     iat =   518,   520,   522,   525,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end


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

Contact the webmaster for help, if required. Thursday, May 2, 2024 7:21:11 AM GMT (wattos1)