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
578344 2rt9 11529 cing 1-original 4 AMBER dihedral angle


# 792 atoms read from pdb file leap.pdb.
# 5 LEU CHI1:  (5 LEU N)-(5 LEU CA)-(5 LEU CB)-(5 LEU CG) -80.0 -40.0
 &rst     iat =    54,    56,    58,    61,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
   rk2 = 60.0, rk3 = 60.0,    &end
# 5 LEU CHI2:  (5 LEU CA)-(5 LEU CB)-(5 LEU CG)-(5 LEU CD1) 160.0 200.0
 &rst     iat =    56,    58,    61,    63,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 8 CYS CHI1:  (8 CYM N)-(8 CYM CA)-(8 CYM CB)-(8 CYM SG) 160.0 200.0
 &rst     iat =   109,   111,   113,   116,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 11 CYS CHI1:  (11 CYM N)-(11 CYM CA)-(11 CYM CB)-(11 CYM SG)  40.0  80.0
 &rst     iat =   157,   159,   161,   164,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end
# 17 TYR CHI1:  (17 TYR N)-(17 TYR CA)-(17 TYR CB)-(17 TYR CG) 160.0 200.0
 &rst     iat =   241,   243,   245,   248,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 23 ARG CHI3:  (23 ARG CB)-(23 ARG CG)-(23 ARG CD)-(23 ARG NE) 160.0 200.0
 &rst     iat =   358,   361,   364,   367,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 25 LEU CHI1:  (25 LEU N)-(25 LEU CA)-(25 LEU CB)-(25 LEU CG) -80.0 -40.0
 &rst     iat =   385,   387,   389,   392,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end
# 25 LEU CHI2:  (25 LEU CA)-(25 LEU CB)-(25 LEU CG)-(25 LEU CD1) 160.0 200.0
 &rst     iat =   387,   389,   392,   394,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 26 CYS CHI1:  (26 CYM N)-(26 CYM CA)-(26 CYM CB)-(26 CYM SG) 160.0 200.0
 &rst     iat =   404,   406,   408,   411,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 29 LEU CHI1:  (29 LEU N)-(29 LEU CA)-(29 LEU CB)-(29 LEU CG) -80.0 -40.0
 &rst     iat =   449,   451,   453,   456,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end
# 29 LEU CHI2:  (29 LEU CA)-(29 LEU CB)-(29 LEU CG)-(29 LEU CD1) 160.0 200.0
 &rst     iat =   451,   453,   456,   458,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 31 CYS CHI1:  (31 CYM N)-(31 CYM CA)-(31 CYM CB)-(31 CYM SG) 160.0 200.0
 &rst     iat =   478,   480,   482,   485,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 34 ASP CHI1:  (34 ASP N)-(34 ASP CA)-(34 ASP CB)-(34 ASP CG) 160.0 200.0
 &rst     iat =   515,   517,   519,   522,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 36 CYS CHI1:  (36 CYM N)-(36 CYM CA)-(36 CYM CB)-(36 CYM SG) 160.0 200.0
 &rst     iat =   547,   549,   551,   554,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 39 CYS CHI1:  (39 CYM N)-(39 CYM CA)-(39 CYM CB)-(39 CYM SG)  40.0  80.0
 &rst     iat =   592,   594,   596,   599,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end
# 40 LEU CHI1:  (40 LEU N)-(40 LEU CA)-(40 LEU CB)-(40 LEU CG) -80.0 -40.0
 &rst     iat =   602,   604,   606,   609,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end
# 40 LEU CHI2:  (40 LEU CA)-(40 LEU CB)-(40 LEU CG)-(40 LEU CD1) 160.0 200.0
 &rst     iat =   604,   606,   609,   611,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end
# 41 CYS CHI1:  (41 CYS N)-(41 CYS CA)-(41 CYS CB)-(41 CYS SG) -80.0 -60.0
 &rst     iat =   621,   623,   625,   628,
   r1 = -81.0, r2 = -80.0, r3 = -60.0, r4 = -59.0,
 &end
# 45 GLY PHI:  (44 HID C)-(45 GLY N)-(45 GLY CA)-(45 GLY C)  30.0  90.0
 &rst     iat =   678,   680,   682,   685,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end
# 46 SER PHI:  (45 GLY C)-(46 SER N)-(46 SER CA)-(46 SER C) -160.0 -40.0
 &rst     iat =   685,   687,   689,   696,
   r1 = -161.0, r2 = -160.0, r3 = -40.0, r4 = -39.0,
 &end
# 49 CYS CHI1:  (49 CYM N)-(49 CYM CA)-(49 CYM CB)-(49 CYM SG) -80.0 -60.0
 &rst     iat =   725,   727,   729,   732,
   r1 = -81.0, r2 = -80.0, r3 = -60.0, r4 = -59.0,
 &end
#


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

Contact the webmaster for help, if required. Saturday, May 18, 2024 10:26:09 AM GMT (wattos1)