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
588742 2ruz 11479 cing 1-original 4 AMBER dihedral angle


# 556 atoms read from pdb file leap.pdb.
# 10 LEU CHI1:  (10 LEU N)-(10 LEU CA)-(10 LEU CB)-(10 LEU CG) -90.0 -30.0
 &rst     iat =   106,   108,   110,   113,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 10 LEU PHI:  (9 LEU C)-(10 LEU N)-(10 LEU CA)-(10 LEU C) -132.0 -72.0
 &rst     iat =   104,   106,   108,   123,
   r1 = -133.0, r2 = -132.0, r3 = -72.0, r4 = -71.0,
 &end
# 10 LEU PSI:  (10 LEU N)-(10 LEU CA)-(10 LEU C)-(11 LYS N)  93.0 153.0
 &rst     iat =   106,   108,   123,   125,
   r1 =  92.0, r2 =  93.0, r3 = 153.0, r4 = 154.0,
 &end
# 11 LYS PHI:  (10 LEU C)-(11 LYS N)-(11 LYS CA)-(11 LYS C) -142.9 -82.9
 &rst     iat =   123,   125,   127,   145,
   r1 = -143.9, r2 = -142.9, r3 = -82.9, r4 = -81.9,
 &end
# 11 LYS PSI:  (11 LYS N)-(11 LYS CA)-(11 LYS C)-(12 CYM N)  94.6 154.6
 &rst     iat =   125,   127,   145,   147,
   r1 =  93.6, r2 =  94.6, r3 = 154.6, r4 = 155.6,
 &end
# 17 CYS CHI1:  (17 CYM N)-(17 CYM CA)-(17 CYM CB)-(17 CYM SG) 150.0 210.0
 &rst     iat =   204,   206,   208,   211,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 19 TYR CHI1:  (19 TYR N)-(19 TYR CA)-(19 TYR CB)-(19 TYR CG) 150.0 210.0
 &rst     iat =   226,   228,   230,   233,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 19 TYR PHI:  (18 ASP C)-(19 TYR N)-(19 TYR CA)-(19 TYR C) -117.0 -57.0
 &rst     iat =   224,   226,   228,   245,
   r1 = -118.0, r2 = -117.0, r3 = -57.0, r4 = -56.0,
 &end
# 19 TYR PSI:  (19 TYR N)-(19 TYR CA)-(19 TYR C)-(20 SER N)  95.0 155.0
 &rst     iat =   226,   228,   245,   247,
   r1 =  94.0, r2 =  95.0, r3 = 155.0, r4 = 156.0,
 &end
# 20 SER CHI1:  (20 SER N)-(20 SER CA)-(20 SER CB)-(20 SER OG)  30.0  90.0
 &rst     iat =   247,   249,   251,   254,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end
# 20 SER PHI:  (19 TYR C)-(20 SER N)-(20 SER CA)-(20 SER C) -145.0 -85.0
 &rst     iat =   245,   247,   249,   256,
   r1 = -146.0, r2 = -145.0, r3 = -85.0, r4 = -84.0,
 &end
# 20 SER PSI:  (20 SER N)-(20 SER CA)-(20 SER C)-(21 THR N) 129.8 189.8
 &rst     iat =   247,   249,   256,   258,
   r1 = 128.8, r2 = 129.8, r3 = 189.8, r4 = 190.8,
 &end
# 24 LYS PHI:  (23 ASP C)-(24 LYS N)-(24 LYS CA)-(24 LYS C) -91.5 -31.5
 &rst     iat =   296,   298,   300,   318,
   r1 = -92.5, r2 = -91.5, r3 = -31.5, r4 = -30.5,
 &end
# 24 LYS PSI:  (24 LYS N)-(24 LYS CA)-(24 LYS C)-(25 TYR N) -66.8  -6.8
 &rst     iat =   298,   300,   318,   320,
   r1 = -67.8, r2 = -66.8, r3 =  -6.8, r4 =  -5.8,
 &end
# 25 TYR PHI:  (24 LYS C)-(25 TYR N)-(25 TYR CA)-(25 TYR C) -95.5 -35.5
 &rst     iat =   318,   320,   322,   339,
   r1 = -96.5, r2 = -95.5, r3 = -35.5, r4 = -34.5,
 &end
# 25 TYR PSI:  (25 TYR N)-(25 TYR CA)-(25 TYR C)-(26 LYS N) -67.3  -7.3
 &rst     iat =   320,   322,   339,   341,
   r1 = -68.3, r2 = -67.3, r3 =  -7.3, r4 =  -6.3,
 &end
# 26 LYS CHI1:  (26 LYS N)-(26 LYS CA)-(26 LYS CB)-(26 LYS CG) -90.0 -30.0
 &rst     iat =   341,   343,   345,   348,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 26 LYS PHI:  (25 TYR C)-(26 LYS N)-(26 LYS CA)-(26 LYS C) -99.9 -39.9
 &rst     iat =   339,   341,   343,   361,
   r1 = -100.9, r2 = -99.9, r3 = -39.9, r4 = -38.9,
 &end
# 26 LYS PSI:  (26 LYS N)-(26 LYS CA)-(26 LYS C)-(27 LEU N) -63.6  -3.6
 &rst     iat =   341,   343,   361,   363,
   r1 = -64.6, r2 = -63.6, r3 =  -3.6, r4 =  -2.6,
 &end
# 27 LEU CHI1:  (27 LEU N)-(27 LEU CA)-(27 LEU CB)-(27 LEU CG) 150.0 210.0
 &rst     iat =   363,   365,   367,   370,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end
# 27 LEU PHI:  (26 LYS C)-(27 LEU N)-(27 LEU CA)-(27 LEU C) -98.1 -38.1
 &rst     iat =   361,   363,   365,   380,
   r1 = -99.1, r2 = -98.1, r3 = -38.1, r4 = -37.1,
 &end
# 27 LEU PSI:  (27 LEU N)-(27 LEU CA)-(27 LEU C)-(28 GLN N) -67.7  -7.7
 &rst     iat =   363,   365,   380,   382,
   r1 = -68.7, r2 = -67.7, r3 =  -7.7, r4 =  -6.7,
 &end
# 28 GLN PHI:  (27 LEU C)-(28 GLN N)-(28 GLN CA)-(28 GLN C) -94.4 -34.4
 &rst     iat =   380,   382,   384,   397,
   r1 = -95.4, r2 = -94.4, r3 = -34.4, r4 = -33.4,
 &end
# 28 GLN PSI:  (28 GLN N)-(28 GLN CA)-(28 GLN C)-(29 ALA N) -70.0 -10.0
 &rst     iat =   382,   384,   397,   399,
   r1 = -71.0, r2 = -70.0, r3 = -10.0, r4 =  -9.0,
 &end
# 29 ALA PHI:  (28 GLN C)-(29 ALA N)-(29 ALA CA)-(29 ALA C) -97.1 -37.1
 &rst     iat =   397,   399,   401,   407,
   r1 = -98.1, r2 = -97.1, r3 = -37.1, r4 = -36.1,
 &end
# 29 ALA PSI:  (29 ALA N)-(29 ALA CA)-(29 ALA C)-(30 HID N) -67.5  -7.5
 &rst     iat =   399,   401,   407,   409,
   r1 = -68.5, r2 = -67.5, r3 =  -7.5, r4 =  -6.5,
 &end
# 30 HIS PHI:  (29 ALA C)-(30 HID N)-(30 HID CA)-(30 HID C) -97.0 -37.0
 &rst     iat =   407,   409,   411,   424,
   r1 = -98.0, r2 = -97.0, r3 = -37.0, r4 = -36.0,
 &end
# 30 HIS PSI:  (30 HID N)-(30 HID CA)-(30 HID C)-(31 LEU N) -68.6  -8.6
 &rst     iat =   409,   411,   424,   426,
   r1 = -69.6, r2 = -68.6, r3 =  -8.6, r4 =  -7.6,
 &end
# 31 LEU CHI1:  (31 LEU N)-(31 LEU CA)-(31 LEU CB)-(31 LEU CG) -90.0 -30.0
 &rst     iat =   426,   428,   430,   433,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end
# 31 LEU PHI:  (30 HID C)-(31 LEU N)-(31 LEU CA)-(31 LEU C) -96.7 -36.7
 &rst     iat =   424,   426,   428,   443,
   r1 = -97.7, r2 = -96.7, r3 = -36.7, r4 = -35.7,
 &end
# 31 LEU PSI:  (31 LEU N)-(31 LEU CA)-(31 LEU C)-(32 LYS N) -64.2  -4.2
 &rst     iat =   426,   428,   443,   445,
   r1 = -65.2, r2 = -64.2, r3 =  -4.2, r4 =  -3.2,
 &end
# 32 LYS PHI:  (31 LEU C)-(32 LYS N)-(32 LYS CA)-(32 LYS C) -98.7 -38.7
 &rst     iat =   443,   445,   447,   465,
   r1 = -99.7, r2 = -98.7, r3 = -38.7, r4 = -37.7,
 &end
# 32 LYS PSI:  (32 LYS N)-(32 LYS CA)-(32 LYS C)-(33 VAL N) -65.6  -5.6
 &rst     iat =   445,   447,   465,   467,
   r1 = -66.6, r2 = -65.6, r3 =  -5.6, r4 =  -4.6,
 &end
# 33 VAL PHI:  (32 LYS C)-(33 VAL N)-(33 VAL CA)-(33 VAL C) -105.0 -45.0
 &rst     iat =   465,   467,   469,   481,
   r1 = -106.0, r2 = -105.0, r3 = -45.0, r4 = -44.0,
 &end
# 33 VAL PSI:  (33 VAL N)-(33 VAL CA)-(33 VAL C)-(34 HID N) -62.0  -2.0
 &rst     iat =   467,   469,   481,   483,
   r1 = -63.0, r2 = -62.0, r3 =  -2.0, r4 =  -1.0,
 &end
# 34 HIS CHI1:  (34 HID N)-(34 HID CA)-(34 HID CB)-(34 HID CG) -90.0 -30.0
 &rst     iat =   483,   485,   487,   490,
   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. Sunday, May 5, 2024 7:36:45 AM GMT (wattos1)