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
646575 6v0l 30688 cing 1-original 5 AMBER dihedral angle


# Restraints file 5: dihedral.amber
# 648 atoms read from pdb file reference.pdb.
# 1 ADE CHI:  (1 DA5 O4')-(1 DA5 C1')-(1 DA5 N9)-(1 DA5 C4)  25.0  95.0
 &rst     iat =     8,     9,    11,    24,
	  r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
	  rk2 =   2.0, rk3 =   2.0,				/

# 2 ADE CHI:  (2 DA O4')-(2 DA C1')-(2 DA N9)-(2 DA C4) 170.0 310.0
 &rst     iat =    40,    41,    43,    56,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 3 GUA CHI:  (3 DG O4')-(3 DG C1')-(3 DG N9)-(3 DG C4) 170.0 310.0
 &rst     iat =    72,    73,    75,    89,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 4 GUA CHI:  (4 DG O4')-(4 DG C1')-(4 DG N9)-(4 DG C4) 170.0 310.0
 &rst     iat =   105,   106,   108,   122,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 5 GUA CHI:  (5 DG O4')-(5 DG C1')-(5 DG N9)-(5 DG C4) 170.0 310.0
 &rst     iat =   138,   139,   141,   155,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 6 ADE CHI:  (6 DA O4')-(6 DA C1')-(6 DA N9)-(6 DA C4) 170.0 310.0
 &rst     iat =   171,   172,   174,   187,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 7 GUA CHI:  (7 DG O4')-(7 DG C1')-(7 DG N9)-(7 DG C4) 170.0 310.0
 &rst     iat =   203,   204,   206,   220,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 8 GUA CHI:  (8 DG O4')-(8 DG C1')-(8 DG N9)-(8 DG C4) 170.0 310.0
 &rst     iat =   236,   237,   239,   253,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 9 GUA CHI:  (9 DG O4')-(9 DG C1')-(9 DG N9)-(9 DG C4) 170.0 310.0
 &rst     iat =   269,   270,   272,   286,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 10 CYT CHI:  (10 DC O4')-(10 DC C1')-(10 DC N1)-(10 DC C2) 170.0 310.0
 &rst     iat =   302,   303,   305,   315,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 11 GUA CHI:  (11 DG O4')-(11 DG C1')-(11 DG N9)-(11 DG C4) 170.0 310.0
 &rst     iat =   332,   333,   335,   349,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 12 GUA CHI:  (12 DG O4')-(12 DG C1')-(12 DG N9)-(12 DG C4) 170.0 310.0
 &rst     iat =   365,   366,   368,   382,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 13 CYT CHI:  (13 DC O4')-(13 DC C1')-(13 DC N1)-(13 DC C2) 170.0 310.0
 &rst     iat =   398,   399,   401,   411,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 14 GUA CHI:  (14 DG O4')-(14 DG C1')-(14 DG N9)-(14 DG C4) 170.0 310.0
 &rst     iat =   428,   429,   431,   445,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 15 GUA CHI:  (15 DG O4')-(15 DG C1')-(15 DG N9)-(15 DG C4) 170.0 310.0
 &rst     iat =   461,   462,   464,   478,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 16 GUA CHI:  (16 DG O4')-(16 DG C1')-(16 DG N9)-(16 DG C4) 170.0 310.0
 &rst     iat =   494,   495,   497,   511,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 17 ADE CHI:  (17 DA O4')-(17 DA C1')-(17 DA N9)-(17 DA C4) 170.0 310.0
 &rst     iat =   527,   528,   530,   543,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 18 CYT CHI:  (18 DC O4')-(18 DC C1')-(18 DC N1)-(18 DC C2) 170.0 310.0
 &rst     iat =   559,   560,   562,   572,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 19 ADE CHI:  (19 DA3 O4')-(19 DA3 C1')-(19 DA3 N9)-(19 DA3 C4) 170.0 310.0
 &rst     iat =   589,   590,   592,   605,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/

# 20 DGP CHI:  (20 GMP O4')-(20 GMP C1')-(20 GMP N9)-(20 GMP C4) 170.0 310.0
 &rst     iat =   642,   643,   623,   624,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	/



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

Contact the webmaster for help, if required. Sunday, May 5, 2024 8:23:42 AM GMT (wattos1)