NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type

502602 2rra cing 1-original 4 AMBER dihedral angle
# 11 ASN PHI:  (10 ALA C)-(11 ASN N)-(11 ASN CA)-(11 ASN C) -180.0   0.0
 &rst     iat =   114,   116,   118,   128,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
   rk2 = 60.0, rk3 = 60.0,    &end

# 18 LEU CHI1:  (18 LEU N)-(18 LEU CA)-(18 LEU CB)-(18 LEU CG) -80.0 -40.0
 &rst     iat =   206,   208,   210,   213,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 18 LEU CHI2:  (18 LEU CA)-(18 LEU CB)-(18 LEU CG)-(18 LEU CD1) -200.0 -160.0
 &rst     iat =   208,   210,   213,   215,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 20 VAL CHI1:  (20 VAL N)-(20 VAL CA)-(20 VAL CB)-(20 VAL CG1) -200.0 -160.0
 &rst     iat =   232,   234,   236,   238,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 21 PHE CHI1:  (21 PHE N)-(21 PHE CA)-(21 PHE CB)-(21 PHE CG) -80.0 -40.0
 &rst     iat =   248,   250,   252,   255,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 23 LEU CHI1:  (23 LEU N)-(23 LEU CA)-(23 LEU CB)-(23 LEU CG) -80.0 -40.0
 &rst     iat =   275,   277,   279,   282,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 23 LEU CHI2:  (23 LEU CA)-(23 LEU CB)-(23 LEU CG)-(23 LEU CD1) -200.0 -160.0
 &rst     iat =   277,   279,   282,   284,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 25 LEU CHI1:  (25 LEU N)-(25 LEU CA)-(25 LEU CB)-(25 LEU CG) -80.0 -40.0
 &rst     iat =   305,   307,   309,   312,
   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) -200.0 -160.0
 &rst     iat =   307,   309,   312,   314,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 26 TYR CHI1:  (26 TYR N)-(26 TYR CA)-(26 TYR CB)-(26 TYR CG) -80.0 -40.0
 &rst     iat =   324,   326,   328,   331,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 28 THR CHI1:  (28 THR N)-(28 THR CA)-(28 THR CB)-(28 THR OG1)  30.0  90.0
 &rst     iat =   359,   361,   363,   369,
   r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
 &end

# 31 ASP CHI1:  (31 ASP N)-(31 ASP CA)-(31 ASP CB)-(31 ASP CG) -90.0 -30.0
 &rst     iat =   412,   414,   416,   419,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 32 LEU CHI1:  (32 LEU N)-(32 LEU CA)-(32 LEU CB)-(32 LEU CG) -80.0 -40.0
 &rst     iat =   424,   426,   428,   431,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 32 LEU CHI2:  (32 LEU CA)-(32 LEU CB)-(32 LEU CG)-(32 LEU CD1) -200.0 -160.0
 &rst     iat =   426,   428,   431,   433,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 35 VAL CHI1:  (35 VAL N)-(35 VAL CA)-(35 VAL CB)-(35 VAL CG1) -200.0 -160.0
 &rst     iat =   482,   484,   486,   488,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 35 VAL PHI:  (34 GLU C)-(35 VAL N)-(35 VAL CA)-(35 VAL C) -100.0 -20.0
 &rst     iat =   480,   482,   484,   496,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 36 PHE CHI1:  (36 PHE N)-(36 PHE CA)-(36 PHE CB)-(36 PHE CG) -80.0 -40.0
 &rst     iat =   498,   500,   502,   505,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 36 PHE PHI:  (35 VAL C)-(36 PHE N)-(36 PHE CA)-(36 PHE C) -100.0 -20.0
 &rst     iat =   496,   498,   500,   516,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 39 TYR CHI1:  (39 TYR N)-(39 TYR CA)-(39 TYR CB)-(39 TYR CG) -80.0 -40.0
 &rst     iat =   551,   553,   555,   558,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 42 ILE PHI:  (41 PRO C)-(42 ILE N)-(42 ILE CA)-(42 ILE C) -180.0   0.0
 &rst     iat =   591,   593,   595,   610,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 42 ILE CHI1:  (42 ILE N)-(42 ILE CA)-(42 ILE CB)-(42 ILE CG1) -80.0 -40.0
 &rst     iat =   593,   595,   597,   603,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 42 ILE CHI21:  (42 ILE CA)-(42 ILE CB)-(42 ILE CG1)-(42 ILE CD1) -200.0 -160.0
 &rst     iat =   595,   597,   603,   606,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 43 ALA PHI:  (42 ILE C)-(43 ALA N)-(43 ALA CA)-(43 ALA C) -180.0   0.0
 &rst     iat =   610,   612,   614,   620,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 45 VAL CHI1:  (45 VAL N)-(45 VAL CA)-(45 VAL CB)-(45 VAL CG1) -200.0 -160.0
 &rst     iat =   634,   636,   638,   640,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 47 ILE CHI1:  (47 ILE N)-(47 ILE CA)-(47 ILE CB)-(47 ILE CG1) -80.0 -40.0
 &rst     iat =   661,   663,   665,   671,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 47 ILE CHI21:  (47 ILE CA)-(47 ILE CB)-(47 ILE CG1)-(47 ILE CD1) -200.0 -160.0
 &rst     iat =   663,   665,   671,   674,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 48 VAL CHI1:  (48 VAL N)-(48 VAL CA)-(48 VAL CB)-(48 VAL CG1) -200.0 -160.0
 &rst     iat =   680,   682,   684,   686,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 49 TYR CHI1:  (49 TYR N)-(49 TYR CA)-(49 TYR CB)-(49 TYR CG) -80.0 -40.0
 &rst     iat =   696,   698,   700,   703,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 59 PHE CHI1:  (59 PHE N)-(59 PHE CA)-(59 PHE CB)-(59 PHE CG)  40.0  80.0
 &rst     iat =   864,   866,   868,   871,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 61 PHE CHI1:  (61 PHE N)-(61 PHE CA)-(61 PHE CB)-(61 PHE CG) -80.0 -40.0
 &rst     iat =   894,   896,   898,   901,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 62 VAL CHI1:  (62 VAL N)-(62 VAL CA)-(62 VAL CB)-(62 VAL CG1) -200.0 -160.0
 &rst     iat =   914,   916,   918,   920,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 63 TYR CHI1:  (63 TYR N)-(63 TYR CA)-(63 TYR CB)-(63 TYR CG) -80.0 -40.0
 &rst     iat =   930,   932,   934,   937,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 64 PHE PHI:  (63 TYR C)-(64 PHE N)-(64 PHE CA)-(64 PHE C) -180.0   0.0
 &rst     iat =   949,   951,   953,   969,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 64 PHE CHI1:  (64 PHE N)-(64 PHE CA)-(64 PHE CB)-(64 PHE CG) -80.0 -40.0
 &rst     iat =   951,   953,   955,   958,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 65 GLU PHI:  (64 PHE C)-(65 GLU N)-(65 GLU CA)-(65 GLU C) -180.0   0.0
 &rst     iat =   969,   971,   973,   984,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 66 ASN PHI:  (65 GLU C)-(66 ASN N)-(66 ASN CA)-(66 ASN C) -180.0   0.0
 &rst     iat =   984,   986,   988,   998,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 67 VAL CHI1:  (67 VAL N)-(67 VAL CA)-(67 VAL CB)-(67 VAL CG1)  40.0  80.0
 &rst     iat =  1000,  1002,  1004,  1006,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 68 ASP PHI:  (67 VAL C)-(68 ASP N)-(68 ASP CA)-(68 ASP C) -180.0   0.0
 &rst     iat =  1014,  1016,  1018,  1026,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 69 ASP PHI:  (68 ASP C)-(69 ASP N)-(69 ASP CA)-(69 ASP C) -180.0   0.0
 &rst     iat =  1026,  1028,  1030,  1038,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 76 ARG PHI:  (75 GLU C)-(76 ARG N)-(76 ARG CA)-(76 ARG C) -100.0 -20.0
 &rst     iat =  1132,  1134,  1136,  1156,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 77 ALA PHI:  (76 ARG C)-(77 ALA N)-(77 ALA CA)-(77 ALA C) -100.0 -20.0
 &rst     iat =  1156,  1158,  1160,  1166,
   r1 = -101.0, r2 = -100.0, r3 = -20.0, r4 = -19.0,
 &end

# 79 GLY PHI:  (78 ASN C)-(79 GLY N)-(79 GLY CA)-(79 GLY C)  20.0 100.0
 &rst     iat =  1180,  1182,  1184,  1187,
   r1 =  19.0, r2 =  20.0, r3 = 100.0, r4 = 101.0,
 &end

# 82 LEU CHI1:  (82 LEU N)-(82 LEU CA)-(82 LEU CB)-(82 LEU CG) -200.0 -160.0
 &rst     iat =  1221,  1223,  1225,  1228,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 82 LEU CHI2:  (82 LEU CA)-(82 LEU CB)-(82 LEU CG)-(82 LEU CD1)  40.0  80.0
 &rst     iat =  1223,  1225,  1228,  1230,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 83 ASP PHI:  (82 LEU C)-(83 ASP N)-(83 ASP CA)-(83 ASP C)  20.0 100.0
 &rst     iat =  1238,  1240,  1242,  1250,
   r1 =  19.0, r2 =  20.0, r3 = 100.0, r4 = 101.0,
 &end

# 84 GLY PHI:  (83 ASP C)-(84 GLY N)-(84 GLY CA)-(84 GLY C)  20.0 100.0
 &rst     iat =  1250,  1252,  1254,  1257,
   r1 =  19.0, r2 =  20.0, r3 = 100.0, r4 = 101.0,
 &end

# 87 ILE CHI1:  (87 ILE N)-(87 ILE CA)-(87 ILE CB)-(87 ILE CG1)  40.0  80.0
 &rst     iat =  1307,  1309,  1311,  1317,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 87 ILE CHI21:  (87 ILE CA)-(87 ILE CB)-(87 ILE CG1)-(87 ILE CD1) -200.0 -160.0
 &rst     iat =  1309,  1311,  1317,  1320,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 89 VAL CHI1:  (89 VAL N)-(89 VAL CA)-(89 VAL CB)-(89 VAL CG1) -200.0 -160.0
 &rst     iat =  1350,  1352,  1354,  1356,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 91 PHE CHI1:  (91 PHE N)-(91 PHE CA)-(91 PHE CB)-(91 PHE CG) -80.0 -40.0
 &rst     iat =  1378,  1380,  1382,  1385,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 94 THR CHI1:  (94 THR N)-(94 THR CA)-(94 THR CB)-(94 THR OG1)  40.0  80.0
 &rst     iat =  1428,  1430,  1432,  1438,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 96 ARG PHI:  (95 LYS C)-(96 ARG N)-(96 ARG CA)-(96 ARG C) -180.0   0.0
 &rst     iat =  1462,  1464,  1466,  1486,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 102 RA CHI:  (102 RA O4')-(102 RA C1')-(102 RA N9)-(102 RA C4) 120.0 300.0
 &rst     iat =  1608,  1609,  1611,  1624,
   r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0,
 &end

# 102 RA NU0:  (102 RA C4')-(102 RA O4')-(102 RA C1')-(102 RA C2') -37.3  -7.3
 &rst     iat =  1606,  1608,  1609,  1627,
   r1 = -38.3, r2 = -37.3, r3 =  -7.3, r4 =  -6.3,
 &end

# 102 RA NU1:  (102 RA O4')-(102 RA C1')-(102 RA C2')-(102 RA C3')  19.8  49.8
 &rst     iat =  1608,  1609,  1627,  1625,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 &end

# 102 RA NU2:  (102 RA C1')-(102 RA C2')-(102 RA C3')-(102 RA C4') -49.0 -19.0
 &rst     iat =  1609,  1627,  1625,  1606,
   r1 = -50.0, r2 = -49.0, r3 = -19.0, r4 = -18.0,
 &end

# 102 RA NU3:  (102 RA C2')-(102 RA C3')-(102 RA C4')-(102 RA O4')   5.2  35.2
 &rst     iat =  1627,  1625,  1606,  1608,
   r1 =   4.2, r2 =   5.2, r3 =  35.2, r4 =  36.2,
 &end

# 102 RA NU4:  (102 RA C3')-(102 RA C4')-(102 RA O4')-(102 RA C1') -13.7  16.3
 &rst     iat =  1625,  1606,  1608,  1609,
   r1 = -14.7, r2 = -13.7, r3 =  16.3, r4 =  17.3,
 &end

# 103 RG CHI:  (103 RG O4')-(103 RG C1')-(103 RG N9)-(103 RG C4) 120.0 300.0
 &rst     iat =  1641,  1642,  1644,  1658,
   r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0,
 &end

# 104 RA CHI:  (104 RA O4')-(104 RA C1')-(104 RA N9)-(104 RA C4) -60.0 120.0
 &rst     iat =  1675,  1676,  1678,  1691,
   r1 = -61.0, r2 = -60.0, r3 = 120.0, r4 = 121.0,
 &end

# 105 RA CHI:  (105 RA3 O4')-(105 RA3 C1')-(105 RA3 N9)-(105 RA3 C4) 120.0 300.0
 &rst     iat =  1708,  1709,  1711,  1724,
   r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0,
 &end

# 105 RA NU0:  (105 RA3 C4')-(105 RA3 O4')-(105 RA3 C1')-(105 RA3 C2') -37.3  -7.3
 &rst     iat =  1706,  1708,  1709,  1727,
   r1 = -38.3, r2 = -37.3, r3 =  -7.3, r4 =  -6.3,
 &end

# 105 RA NU1:  (105 RA3 O4')-(105 RA3 C1')-(105 RA3 C2')-(105 RA3 C3')  19.8  49.8
 &rst     iat =  1708,  1709,  1727,  1725,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 &end

# 105 RA NU2:  (105 RA3 C1')-(105 RA3 C2')-(105 RA3 C3')-(105 RA3 C4') -49.0 -19.0
 &rst     iat =  1709,  1727,  1725,  1706,
   r1 = -50.0, r2 = -49.0, r3 = -19.0, r4 = -18.0,
 &end

# 105 RA NU3:  (105 RA3 C2')-(105 RA3 C3')-(105 RA3 C4')-(105 RA3 O4')   5.2  35.2
 &rst     iat =  1727,  1725,  1706,  1708,
   r1 =   4.2, r2 =   5.2, r3 =  35.2, r4 =  36.2,
 &end

# 105 RA NU4:  (105 RA3 C3')-(105 RA3 C4')-(105 RA3 O4')-(105 RA3 C1') -13.7  16.3
 &rst     iat =  1725,  1706,  1708,  1709,
   r1 = -14.7, r2 = -13.7, r3 =  16.3, r4 =  17.3,
 &end
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Contact the webmaster for help, if required. Friday, June 28, 2024 6:49:00 AM GMT (wattos1)
image	mrblock_id	pdb_id	cing	stage	position	program	type
	502602	2rra	cing	1-original	4	AMBER	dihedral angle