NMR Restraints Grid

Result table
(Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type

647026 6jpp cing 1-original 4 AMBER dihedral angle
# 1791 atoms read from pdb file leap.pdb.
# 8 ILE CHI1:  (8 ILE N)-(8 ILE CA)-(8 ILE CB)-(8 ILE CG1) -90.0 -30.0
 &rst     iat =    91,    93,    95,   101,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	  rk2 = 60.0, rk3 = 60.0,				&end
# 8 ILE CHI21:  (8 ILE CA)-(8 ILE CB)-(8 ILE CG1)-(8 ILE CD1) 150.0 210.0
 &rst     iat =    93,    95,   101,   104,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end
# 9 VAL CHI1:  (9 VAL N)-(9 VAL CA)-(9 VAL CB)-(9 VAL CG1) -90.0 -30.0
 &rst     iat =   110,   112,   114,   116,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 11 VAL CHI1:  (11 VAL N)-(11 VAL CA)-(11 VAL CB)-(11 VAL CG1) -90.0 -30.0
 &rst     iat =   148,   150,   152,   154,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 13 ILE CHI1:  (13 ILE N)-(13 ILE CA)-(13 ILE CB)-(13 ILE CG1) -90.0 -30.0
 &rst     iat =   174,   176,   178,   184,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 13 ILE CHI21:  (13 ILE CA)-(13 ILE CB)-(13 ILE CG1)-(13 ILE CD1) 150.0 210.0
 &rst     iat =   176,   178,   184,   187,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end
# 15 TRP CHI1:  (15 TRP N)-(15 TRP CA)-(15 TRP CB)-(15 TRP CG) 150.0 210.0
 &rst     iat =   208,   210,   212,   215,
	  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) -90.0 -30.0
 &rst     iat =   263,   265,   267,   270,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 22 LEU CHI1:  (22 LEU N)-(22 LEU CA)-(22 LEU CB)-(22 LEU CG) -90.0 -30.0
 &rst     iat =   320,   322,   324,   327,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 22 LEU CHI2:  (22 LEU CA)-(22 LEU CB)-(22 LEU CG)-(22 LEU CD1) 150.0 210.0
 &rst     iat =   322,   324,   327,   329,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end
# 25 ILE CHI1:  (25 ILE N)-(25 ILE CA)-(25 ILE CB)-(25 ILE CG1) -90.0 -30.0
 &rst     iat =   371,   373,   375,   381,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 25 ILE CHI21:  (25 ILE CA)-(25 ILE CB)-(25 ILE CG1)-(25 ILE CD1) 150.0 210.0
 &rst     iat =   373,   375,   381,   384,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end
# 31 LEU CHI1:  (31 LEU N)-(31 LEU CA)-(31 LEU CB)-(31 LEU CG) -90.0 -30.0
 &rst     iat =   477,   479,   481,   484,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 31 LEU CHI2:  (31 LEU CA)-(31 LEU CB)-(31 LEU CG)-(31 LEU CD1) 150.0 210.0
 &rst     iat =   479,   481,   484,   486,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end
# 34 ILE CHI1:  (34 ILE N)-(34 ILE CA)-(34 ILE CB)-(34 ILE CG1) -90.0 -30.0
 &rst     iat =   517,   519,   521,   527,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 34 ILE CHI21:  (34 ILE CA)-(34 ILE CB)-(34 ILE CG1)-(34 ILE CD1) 150.0 210.0
 &rst     iat =   519,   521,   527,   530,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end
# 35 ILE CHI1:  (35 ILE N)-(35 ILE CA)-(35 ILE CB)-(35 ILE CG1) -90.0 -30.0
 &rst     iat =   536,   538,   540,   546,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 35 ILE CHI21:  (35 ILE CA)-(35 ILE CB)-(35 ILE CG1)-(35 ILE CD1) 150.0 210.0
 &rst     iat =   538,   540,   546,   549,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end
# 38 VAL CHI1:  (38 VAL N)-(38 VAL CA)-(38 VAL CB)-(38 VAL CG1) 150.0 210.0
 &rst     iat =   592,   594,   596,   598,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end
# 42 TRP CHI1:  (42 TRP N)-(42 TRP CA)-(42 TRP CB)-(42 TRP CG) -90.0 -30.0
 &rst     iat =   638,   640,   642,   645,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 44 LEU CHI1:  (44 LEU N)-(44 LEU CA)-(44 LEU CB)-(44 LEU CG) -90.0 -30.0
 &rst     iat =   673,   675,   677,   680,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 44 LEU CHI2:  (44 LEU CA)-(44 LEU CB)-(44 LEU CG)-(44 LEU CD1) 150.0 210.0
 &rst     iat =   675,   677,   680,   682,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end
# 47 HIS CHI1:  (47 HIE N)-(47 HIE CA)-(47 HIE CB)-(47 HIE CG)  30.0  90.0
 &rst     iat =   716,   718,   720,   723,
	  r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
	&end
# 49 TYR CHI1:  (49 TYR N)-(49 TYR CA)-(49 TYR CB)-(49 TYR CG) -90.0 -30.0
 &rst     iat =   748,   750,   752,   755,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 50 PHE CHI1:  (50 PHE N)-(50 PHE CA)-(50 PHE CB)-(50 PHE CG) -90.0 -30.0
 &rst     iat =   769,   771,   773,   776,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 52 LEU CHI1:  (52 LEU N)-(52 LEU CA)-(52 LEU CB)-(52 LEU CG) -90.0 -30.0
 &rst     iat =   799,   801,   803,   806,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 52 LEU CHI2:  (52 LEU CA)-(52 LEU CB)-(52 LEU CG)-(52 LEU CD1) 150.0 210.0
 &rst     iat =   801,   803,   806,   808,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end
# 54 HIS CHI1:  (54 HIE N)-(54 HIE CA)-(54 HIE CB)-(54 HIE CG) -90.0 -30.0
 &rst     iat =   835,   837,   839,   842,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 60 PHE CHI1:  (60 PHE N)-(60 PHE CA)-(60 PHE CB)-(60 PHE CG) -90.0 -30.0
 &rst     iat =   910,   912,   914,   917,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 61 TYR CHI1:  (61 TYR N)-(61 TYR CA)-(61 TYR CB)-(61 TYR CG) -90.0 -30.0
 &rst     iat =   930,   932,   934,   937,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 62 ILE CHI1:  (62 ILE N)-(62 ILE CA)-(62 ILE CB)-(62 ILE CG1) -90.0 -30.0
 &rst     iat =   951,   953,   955,   961,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 62 ILE CHI21:  (62 ILE CA)-(62 ILE CB)-(62 ILE CG1)-(62 ILE CD1) -90.0 -30.0
 &rst     iat =   953,   955,   961,   964,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 70 ILE CHI1:  (70 ILE N)-(70 ILE CA)-(70 ILE CB)-(70 ILE CG1) -90.0 -30.0
 &rst     iat =  1088,  1090,  1092,  1098,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 70 ILE CHI21:  (70 ILE CA)-(70 ILE CB)-(70 ILE CG1)-(70 ILE CD1) 150.0 210.0
 &rst     iat =  1090,  1092,  1098,  1101,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end
# 75 ILE CHI1:  (75 ILE N)-(75 ILE CA)-(75 ILE CB)-(75 ILE CG1) -90.0 -30.0
 &rst     iat =  1164,  1166,  1168,  1174,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 75 ILE CHI21:  (75 ILE CA)-(75 ILE CB)-(75 ILE CG1)-(75 ILE CD1) 150.0 210.0
 &rst     iat =  1166,  1168,  1174,  1177,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end
# 76 LEU CHI1:  (76 LEU N)-(76 LEU CA)-(76 LEU CB)-(76 LEU CG) -90.0 -30.0
 &rst     iat =  1183,  1185,  1187,  1190,
	  r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
	&end
# 76 LEU CHI2:  (76 LEU CA)-(76 LEU CB)-(76 LEU CG)-(76 LEU CD1) 150.0 210.0
 &rst     iat =  1185,  1187,  1190,  1192,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end
# 78 LEU CHI1:  (78 LEU N)-(78 LEU CA)-(78 LEU CB)-(78 LEU CG) 150.0 210.0
 &rst     iat =  1226,  1228,  1230,  1233,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	&end
# 78 LEU CHI2:  (78 LEU CA)-(78 LEU CB)-(78 LEU CG)-(78 LEU CD1)  30.0  90.0
 &rst     iat =  1228,  1230,  1233,  1235,
	  r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
	&end
Please acknowledge these references in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Friday, May 3, 2024 6:03:37 AM GMT (wattos1)
image	mrblock_id	pdb_id	cing	stage	position	program	type
	647026	6jpp	cing	1-original	4	AMBER	dihedral angle