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
655489 6r8e 34386 cing 1-original 1 AMBER dihedral angle 

# Restraints file 1: SC14_CHI.list
# 1 DG CHI:  (1 DG5 O4')-(1 DG5 C1')-(1 DG5 N9)-(1 DG5 C4)  25.0  95.0
 &rst     iat =     8,     9,    11,    25,
	  r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
	  rk2 =   200.0, rk3 =   200.0,				&end

# 2 DT CHI:  (2 DT O4')-(2 DT C1')-(2 DT N1)-(2 DT C2) 170.0 310.0
 &rst     iat =    41,    42,    44,    56,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	&end

# 3 DG CHI:  (3 DG O4')-(3 DG C1')-(3 DG N9)-(3 DG C4) 200.0 280.0
 &rst     iat =    73,    74,    76,    90,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 4 DT CHI:  (4 DT O4')-(4 DT C1')-(4 DT N1)-(4 DT C2) 170.0 310.0
 &rst     iat =   106,   107,   109,   121,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	&end

# 5 DG CHI:  (5 DG O4')-(5 DG C1')-(5 DG N9)-(5 DG C4) 200.0 280.0
 &rst     iat =   138,   139,   141,   155,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 6 DT CHI:  (6 DT O4')-(6 DT C1')-(6 DT N1)-(6 DT C2) 170.0 310.0
 &rst     iat =   171,   172,   174,   186,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	&end

# 7 DG CHI:  (7 DG O4')-(7 DG C1')-(7 DG N9)-(7 DG C4)  25.0  95.0
 &rst     iat =   203,   204,   206,   220,
	  r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
	&end

# 8 DG CHI:  (8 DG O4')-(8 DG C1')-(8 DG N9)-(8 DG C4) 200.0 280.0
 &rst     iat =   236,   237,   239,   253,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 9 DG CHI:  (9 DG O4')-(9 DG C1')-(9 DG N9)-(9 DG C4) 200.0 280.0
 &rst     iat =   269,   270,   272,   286,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 10 DT CHI:  (10 DT O4')-(10 DT C1')-(10 DT N1)-(10 DT C2) 170.0 310.0
 &rst     iat =   302,   303,   305,   317,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	&end

# 11 DG CHI:  (11 DG O4')-(11 DG C1')-(11 DG N9)-(11 DG C4) 200.0 280.0
 &rst     iat =   334,   335,   337,   351,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 12 DT CHI:  (12 DT O4')-(12 DT C1')-(12 DT N1)-(12 DT C2) 170.0 310.0
 &rst     iat =   367,   368,   370,   382,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	&end

# 13 DG CHI:  (13 DG O4')-(13 DG C1')-(13 DG N9)-(13 DG C4) 200.0 280.0
 &rst     iat =   399,   400,   402,   416,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 14 DT CHI:  (14 DT3 O4')-(14 DT3 C1')-(14 DT3 N1)-(14 DT3 C2) 170.0 310.0
 &rst     iat =   432,   433,   435,   447,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	&end
## Restraints file 2: SC14_NU2.list
# 1 DG NU2:  (1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4') -40.0 -30.0
 &rst     iat =     9,    28,    26,     6,
          r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
          rk2 =   200.0, rk3 =   200.0,                             &end

# 2 DT NU2:  (2 DT C1')-(2 DT C2')-(2 DT C3')-(2 DT C4') -40.0 -30.0
 &rst     iat =    42,    60,    58,    39,
          r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
        &end

# 3 DG NU2:  (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') -40.0 -30.0
 &rst     iat =    74,    93,    91,    71,
          r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
        &end

# 4 DT NU2:  (4 DT C1')-(4 DT C2')-(4 DT C3')-(4 DT C4') -40.0 -30.0
 &rst     iat =   107,   125,   123,   104,
          r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
        &end

# 5 DG NU2:  (5 DG C1')-(5 DG C2')-(5 DG C3')-(5 DG C4') -40.0 -30.0
 &rst     iat =   139,   158,   156,   136,
          r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
        &end

# 6 DT NU2:  (6 DT C1')-(6 DT C2')-(6 DT C3')-(6 DT C4') -40.0 -30.0
 &rst     iat =   172,   190,   188,   169,
          r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
        &end

# 7 DG NU2:  (7 DG C1')-(7 DG C2')-(7 DG C3')-(7 DG C4') -320.0  20.0
 &rst     iat =   204,   223,   221,   201,
          r1 = -321.0, r2 = -320.0, r3 =  20.0, r4 =  21.0,
        &end

# 9 DG NU2:  (9 DG C1')-(9 DG C2')-(9 DG C3')-(9 DG C4') -40.0 -30.0
 &rst     iat =   270,   289,   287,   267,
          r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
        &end

# 10 DT NU2:  (10 DT C1')-(10 DT C2')-(10 DT C3')-(10 DT C4') -40.0 -30.0
 &rst     iat =   303,   321,   319,   300,
          r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
        &end

# 11 DG NU2:  (11 DG C1')-(11 DG C2')-(11 DG C3')-(11 DG C4') -40.0 -30.0
 &rst     iat =   335,   354,   352,   332,
          r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
        &end

# 12 DT NU2:  (12 DT C1')-(12 DT C2')-(12 DT C3')-(12 DT C4') -320.0  20.0
 &rst     iat =   368,   386,   384,   365,
         r1 = -321.0, r2 = -320.0, r3 = 20.0, r4 = 21.0,
       &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 8:17:23 AM GMT (wattos1)