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

623349 5x3z 36059 cing 1-original 8 AMBER dihedral angle
# 1675 atoms read from pdb file leap.pdb.
# 7 ILE CHI1:  (7 ILE N)-(7 ILE CA)-(7 ILE CB)-(7 ILE CG1)  40.0  80.0
 &rst     iat =    99,   101,   103,   109,
	  r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
	  rk2 = 60.0, rk3 = 60.0,				&end
# 8 PHE CHI1:  (8 PHE N)-(8 PHE CA)-(8 PHE CB)-(8 PHE CG) 160.0 200.0
 &rst     iat =   118,   120,   122,   125,
	  r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
	&end
# 9 VAL CHI1:  (9 VAL N)-(9 VAL CA)-(9 VAL CB)-(9 VAL CG1) 160.0 200.0
 &rst     iat =   138,   140,   142,   144,
	  r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
	&end
# 12 LEU CHI1:  (12 LEU N)-(12 LEU CA)-(12 LEU CB)-(12 LEU CG) -80.0 -40.0
 &rst     iat =   168,   170,   172,   175,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 12 LEU CHI2:  (12 LEU CA)-(12 LEU CB)-(12 LEU CG)-(12 LEU CD1) 160.0 200.0
 &rst     iat =   170,   172,   175,   177,
	  r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
	&end
# 21 VAL CHI1:  (21 VAL N)-(21 VAL CA)-(21 VAL CB)-(21 VAL CG1) 160.0 200.0
 &rst     iat =   299,   301,   303,   305,
	  r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
	&end
# 25 PHE CHI1:  (25 PHE N)-(25 PHE CA)-(25 PHE CB)-(25 PHE CG) -80.0 -40.0
 &rst     iat =   375,   377,   379,   382,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 31 VAL CHI1:  (31 VAL N)-(31 VAL CA)-(31 VAL CB)-(31 VAL CG1) 160.0 200.0
 &rst     iat =   476,   478,   480,   482,
	  r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
	&end
# 36 LEU CHI1:  (36 LEU N)-(36 LEU CA)-(36 LEU CB)-(36 LEU CG) -80.0 -40.0
 &rst     iat =   543,   545,   547,   550,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 36 LEU CHI2:  (36 LEU CA)-(36 LEU CB)-(36 LEU CG)-(36 LEU CD1) 160.0 200.0
 &rst     iat =   545,   547,   550,   552,
	  r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
	&end
# 38 PHE CHI1:  (38 PHE N)-(38 PHE CA)-(38 PHE CB)-(38 PHE CG) -80.0 -40.0
 &rst     iat =   579,   581,   583,   586,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 48 PHE CHI1:  (48 PHE N)-(48 PHE CA)-(48 PHE CB)-(48 PHE CG)  40.0  80.0
 &rst     iat =   747,   749,   751,   754,
	  r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
	&end
# 51 VAL CHI1:  (51 VAL N)-(51 VAL CA)-(51 VAL CB)-(51 VAL CG1) 160.0 200.0
 &rst     iat =   794,   796,   798,   800,
	  r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
	&end
# 58 ILE CHI1:  (58 ILE N)-(58 ILE CA)-(58 ILE CB)-(58 ILE CG1) -80.0 -40.0
 &rst     iat =   897,   899,   901,   907,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 59 VAL CHI1:  (59 VAL N)-(59 VAL CA)-(59 VAL CB)-(59 VAL CG1) 160.0 200.0
 &rst     iat =   916,   918,   920,   922,
	  r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
	&end
# 62 VAL CHI1:  (62 VAL N)-(62 VAL CA)-(62 VAL CB)-(62 VAL CG1) 160.0 200.0
 &rst     iat =   969,   971,   973,   975,
	  r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
	&end
# 70 ILE CHI1:  (70 ILE N)-(70 ILE CA)-(70 ILE CB)-(70 ILE CG1) -80.0 -40.0
 &rst     iat =  1099,  1101,  1103,  1109,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 70 ILE CHI21:  (70 ILE CA)-(70 ILE CB)-(70 ILE CG1)-(70 ILE CD1) 160.0 200.0
 &rst     iat =  1101,  1103,  1109,  1112,
	  r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
	&end
# 75 VAL CHI1:  (75 VAL N)-(75 VAL CA)-(75 VAL CB)-(75 VAL CG1) -80.0 -40.0
 &rst     iat =  1185,  1187,  1189,  1191,
	  r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
	&end
# 97 RG NU0:  (97 G5 C4')-(97 G5 O4')-(97 G5 C1')-(97 G5 C2') -37.3  -7.3
 &rst     iat =  1521,  1523,  1524,  1543,
	  r1 = -38.3, r2 = -37.3, r3 =  -7.3, r4 =  -6.3,
	&end
# 97 RG NU1:  (97 G5 O4')-(97 G5 C1')-(97 G5 C2')-(97 G5 C3')  19.8  49.8
 &rst     iat =  1523,  1524,  1543,  1541,
	  r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
	&end
# 97 RG NU2:  (97 G5 C1')-(97 G5 C2')-(97 G5 C3')-(97 G5 C4') -49.0 -19.0
 &rst     iat =  1524,  1543,  1541,  1521,
	  r1 = -50.0, r2 = -49.0, r3 = -19.0, r4 = -18.0,
	&end
# 97 RG NU3:  (97 G5 C2')-(97 G5 C3')-(97 G5 C4')-(97 G5 O4')   5.2  35.2
 &rst     iat =  1543,  1541,  1521,  1523,
	  r1 =   4.2, r2 =   5.2, r3 =  35.2, r4 =  36.2,
	&end
# 97 RG NU4:  (97 G5 C3')-(97 G5 C4')-(97 G5 O4')-(97 G5 C1') -13.7  16.3
 &rst     iat =  1541,  1521,  1523,  1524,
	  r1 = -14.7, r2 = -13.7, r3 =  16.3, r4 =  17.3,
	&end
# 98 RU CHI:  (98 U O4')-(98 U C1')-(98 U N1)-(98 U C2) 120.0 300.0
 &rst     iat =  1557,  1558,  1560,  1569,
	  r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0,
	&end
# 98 RU NU0:  (98 U C4')-(98 U O4')-(98 U C1')-(98 U C2') -37.3  -7.3
 &rst     iat =  1555,  1557,  1558,  1573,
	  r1 = -38.3, r2 = -37.3, r3 =  -7.3, r4 =  -6.3,
	&end
# 98 RU NU1:  (98 U O4')-(98 U C1')-(98 U C2')-(98 U C3')  19.8  49.8
 &rst     iat =  1557,  1558,  1573,  1571,
	  r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
	&end
# 98 RU NU2:  (98 U C1')-(98 U C2')-(98 U C3')-(98 U C4') -49.0 -19.0
 &rst     iat =  1558,  1573,  1571,  1555,
	  r1 = -50.0, r2 = -49.0, r3 = -19.0, r4 = -18.0,
	&end
# 98 RU NU3:  (98 U C2')-(98 U C3')-(98 U C4')-(98 U O4')   5.2  35.2
 &rst     iat =  1573,  1571,  1555,  1557,
	  r1 =   4.2, r2 =   5.2, r3 =  35.2, r4 =  36.2,
	&end
# 98 RU NU4:  (98 U C3')-(98 U C4')-(98 U O4')-(98 U C1') -13.7  16.3
 &rst     iat =  1571,  1555,  1557,  1558,
	  r1 = -14.7, r2 = -13.7, r3 =  16.3, r4 =  17.3,
	&end
# 99 RA CHI:  (99 A O4')-(99 A C1')-(99 A N9)-(99 A C4) 120.0 300.0
 &rst     iat =  1587,  1588,  1590,  1603,
	  r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0,
	&end
# 100 RG CHI:  (100 G O4')-(100 G C1')-(100 G N9)-(100 G C4) -30.0  90.0
 &rst     iat =  1620,  1621,  1623,  1637,
	  r1 = -31.0, r2 = -30.0, r3 =  90.0, r4 =  91.0,
	&end
# 100 RG NU0:  (100 G C4')-(100 G O4')-(100 G C1')-(100 G C2') -37.3  -7.3
 &rst     iat =  1618,  1620,  1621,  1640,
	  r1 = -38.3, r2 = -37.3, r3 =  -7.3, r4 =  -6.3,
	&end
# 100 RG NU1:  (100 G O4')-(100 G C1')-(100 G C2')-(100 G C3')  19.8  49.8
 &rst     iat =  1620,  1621,  1640,  1638,
	  r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
	&end
# 100 RG NU2:  (100 G C1')-(100 G C2')-(100 G C3')-(100 G C4') -49.0 -19.0
 &rst     iat =  1621,  1640,  1638,  1618,
	  r1 = -50.0, r2 = -49.0, r3 = -19.0, r4 = -18.0,
	&end
# 100 RG NU3:  (100 G C2')-(100 G C3')-(100 G C4')-(100 G O4')   5.2  35.2
 &rst     iat =  1640,  1638,  1618,  1620,
	  r1 =   4.2, r2 =   5.2, r3 =  35.2, r4 =  36.2,
	&end
# 100 RG NU4:  (100 G C3')-(100 G C4')-(100 G O4')-(100 G C1') -13.7  16.3
 &rst     iat =  1638,  1618,  1620,  1621,
	  r1 = -14.7, r2 = -13.7, r3 =  16.3, r4 =  17.3,
	&end
# 101 RU NU0:  (101 U3 C4')-(101 U3 O4')-(101 U3 C1')-(101 U3 C2') -37.3  -7.3
 &rst     iat =  1652,  1654,  1655,  1670,
	  r1 = -38.3, r2 = -37.3, r3 =  -7.3, r4 =  -6.3,
	&end
# 101 RU NU1:  (101 U3 O4')-(101 U3 C1')-(101 U3 C2')-(101 U3 C3')  19.8  49.8
 &rst     iat =  1654,  1655,  1670,  1668,
	  r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
	&end
# 101 RU NU2:  (101 U3 C1')-(101 U3 C2')-(101 U3 C3')-(101 U3 C4') -49.0 -19.0
 &rst     iat =  1655,  1670,  1668,  1652,
	  r1 = -50.0, r2 = -49.0, r3 = -19.0, r4 = -18.0,
	&end
# 101 RU NU3:  (101 U3 C2')-(101 U3 C3')-(101 U3 C4')-(101 U3 O4')   5.2  35.2
 &rst     iat =  1670,  1668,  1652,  1654,
	  r1 =   4.2, r2 =   5.2, r3 =  35.2, r4 =  36.2,
	&end
# 101 RU NU4:  (101 U3 C3')-(101 U3 C4')-(101 U3 O4')-(101 U3 C1') -13.7  16.3
 &rst     iat =  1668,  1652,  1654,  1655,
	  r1 = -14.7, r2 = -13.7, r3 =  16.3, r4 =  17.3,
	&end
Please acknowledge these references in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Friday, April 19, 2024 12:15:41 AM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	623349	5x3z	36059	cing	1-original	8	AMBER	dihedral angle