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
589746 2mxj 25414 cing 1-original 2 AMBER dihedral angle 

# 359 atoms read from pdb file amber.pdb.
# 17 CYT ALPHA:  (16 RC5 O3')-(17 RC P)-(17 RC O5')-(17 RC C5') -155.0  25.0
 &rst     iat =    29,    30,    33,    34,
   r1 = -156.0, r2 = -155.0, r3 =  25.0, r4 =  26.0,
   rk2 =  12.0, rk3 =  12.0,    &end

# 18 ADE ALPHA:  (17 RC O3')-(18 RA P)-(18 RA O5')-(18 RA C5') -155.0  25.0
 &rst     iat =    60,    61,    64,    65,
   r1 = -156.0, r2 = -155.0, r3 =  25.0, r4 =  26.0,
 &end

# 17 CYT BETA:  (17 RC P)-(17 RC O5')-(17 RC C5')-(17 RC C4')  90.0 240.0
 &rst     iat =    30,    33,    34,    37,
   r1 =  89.0, r2 =  90.0, r3 = 240.0, r4 = 241.0,
 &end

# 18 ADE BETA:  (18 RA P)-(18 RA O5')-(18 RA C5')-(18 RA C4')  90.0 240.0
 &rst     iat =    61,    64,    65,    68,
   r1 =  89.0, r2 =  90.0, r3 = 240.0, r4 = 241.0,
 &end

# 17 CYT GAMMA:  (17 RC O5')-(17 RC C5')-(17 RC C4')-(17 RC C3')   0.0 120.0
 &rst     iat =    33,    34,    37,    54,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 &end

# 18 ADE GAMMA:  (18 RA O5')-(18 RA C5')-(18 RA C4')-(18 RA C3')   0.0 120.0
 &rst     iat =    64,    65,    68,    87,
   r1 =  -1.0, r2 =   0.0, r3 = 120.0, r4 = 121.0,
 &end

# 16 CYT DELTA:  (16 RC5 C5')-(16 RC5 C4')-(16 RC5 C3')-(16 RC5 O3')  45.0 115.0
 &rst     iat =     3,     6,    23,    29,
   r1 =  44.0, r2 =  45.0, r3 = 115.0, r4 = 116.0,
 &end

# 17 CYT DELTA:  (17 RC C5')-(17 RC C4')-(17 RC C3')-(17 RC O3')  45.0 115.0
 &rst     iat =    34,    37,    54,    60,
   r1 =  44.0, r2 =  45.0, r3 = 115.0, r4 = 116.0,
 &end

# 18 ADE DELTA:  (18 RA C5')-(18 RA C4')-(18 RA C3')-(18 RA O3')  45.0 115.0
 &rst     iat =    65,    68,    87,    93,
   r1 =  44.0, r2 =  45.0, r3 = 115.0, r4 = 116.0,
 &end

# 23 CYT DELTA:  (23 RC C5')-(23 RC C4')-(23 RC C3')-(23 RC O3')  45.0 115.0
 &rst     iat =   231,   234,   251,   257,
   r1 =  44.0, r2 =  45.0, r3 = 115.0, r4 = 116.0,
 &end

# 26 ADE DELTA:  (26 RA3 C5')-(26 RA3 C4')-(26 RA3 C3')-(26 RA3 O3')  45.0 115.0
 &rst     iat =   330,   333,   352,   358,
   r1 =  44.0, r2 =  45.0, r3 = 115.0, r4 = 116.0,
 &end

# 16 CYT EPSILN:  (16 RC5 C4')-(16 RC5 C3')-(16 RC5 O3')-(17 RC P) -240.0  10.0
 &rst     iat =     6,    23,    29,    30,
   r1 = -241.0, r2 = -240.0, r3 =  10.0, r4 =  11.0,
 &end

# 17 CYT EPSILN:  (17 RC C4')-(17 RC C3')-(17 RC O3')-(18 RA P) -240.0  10.0
 &rst     iat =    37,    54,    60,    61,
   r1 = -241.0, r2 = -240.0, r3 =  10.0, r4 =  11.0,
 &end

# 16 CYT CHI:  (16 RC5 O4')-(16 RC5 C1')-(16 RC5 N1)-(16 RC5 C2) 170.0 340.0
 &rst     iat =     8,     9,    11,    21,
   r1 = 169.0, r2 = 170.0, r3 = 340.0, r4 = 341.0,
 &end

# 17 CYT CHI:  (17 RC O4')-(17 RC C1')-(17 RC N1)-(17 RC C2) 170.0 340.0
 &rst     iat =    39,    40,    42,    52,
   r1 = 169.0, r2 = 170.0, r3 = 340.0, r4 = 341.0,
 &end

# 18 ADE CHI:  (18 RA O4')-(18 RA C1')-(18 RA N9)-(18 RA C4) 170.0 340.0
 &rst     iat =    70,    71,    73,    86,
   r1 = 169.0, r2 = 170.0, r3 = 340.0, r4 = 341.0,
 &end

# 19 GUA CHI:  (19 RG O4')-(19 RG C1')-(19 RG N9)-(19 RG C4) 170.0 340.0
 &rst     iat =   103,   104,   106,   120,
   r1 = 169.0, r2 = 170.0, r3 = 340.0, r4 = 341.0,
 &end

# 20 ADE CHI:  (20 RA O4')-(20 RA C1')-(20 RA N9)-(20 RA C4) 170.0 340.0
 &rst     iat =   137,   138,   140,   153,
   r1 = 169.0, r2 = 170.0, r3 = 340.0, r4 = 341.0,
 &end

# 21 ADE CHI:  (21 RA O4')-(21 RA C1')-(21 RA N9)-(21 RA C4) 170.0 340.0
 &rst     iat =   170,   171,   173,   186,
   r1 = 169.0, r2 = 170.0, r3 = 340.0, r4 = 341.0,
 &end

# 22 ADE CHI:  (22 RA O4')-(22 RA C1')-(22 RA N9)-(22 RA C4) 170.0 340.0
 &rst     iat =   203,   204,   206,   219,
   r1 = 169.0, r2 = 170.0, r3 = 340.0, r4 = 341.0,
 &end

# 23 CYT CHI:  (23 RC O4')-(23 RC C1')-(23 RC N1)-(23 RC C2) 170.0 340.0
 &rst     iat =   236,   237,   239,   249,
   r1 = 169.0, r2 = 170.0, r3 = 340.0, r4 = 341.0,
 &end

# 24 GUA CHI:  (24 RG O4')-(24 RG C1')-(24 RG N9)-(24 RG C4) 170.0 340.0
 &rst     iat =   267,   268,   270,   284,
   r1 = 169.0, r2 = 170.0, r3 = 340.0, r4 = 341.0,
 &end

# 25 GUA CHI:  (25 RG O4')-(25 RG C1')-(25 RG N9)-(25 RG C4) 170.0 340.0
 &rst     iat =   301,   302,   304,   318,
   r1 = 169.0, r2 = 170.0, r3 = 340.0, r4 = 341.0,
 &end

# 26 ADE CHI:  (26 RA3 O4')-(26 RA3 C1')-(26 RA3 N9)-(26 RA3 C4) 170.0 340.0
 &rst     iat =   335,   336,   338,   351,
   r1 = 169.0, r2 = 170.0, r3 = 340.0, r4 = 341.0,
 &end

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

Contact the webmaster for help, if required. Tuesday, May 21, 2024 11:52:53 AM GMT (wattos1)