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

585599 2mjj 19728 cing 1-original 4 AMBER dihedral angle
#  anti_orientation
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# 970 atoms read from pdb file q6.pdb.
# 1 GUA CHI:  (1 DG5 O4')-(1 DG5 C1')-(1 DG5 N9)-(1 DG5 C4) 170.0 310.0
 &rst     iat =     8,     9,    11,    25,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
   rk2 =   500.0, rk3 =   500.0,    &end

# 2 GUA CHI:  (2 DG O4')-(2 DG C1')-(2 DG N9)-(2 DG C4) 170.0 310.0
 &rst     iat =    41,    42,    44,    58,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 3 GUA CHI:  (3 DG O4')-(3 DG C1')-(3 DG N9)-(3 DG C4) 170.0 310.0
 &rst     iat =    74,    75,    77,    91,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 4 ADE CHI:  (4 DA O4')-(4 DA C1')-(4 DA N9)-(4 DA C4) 170.0 310.0
 &rst     iat =   107,   108,   110,   123,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 5 GUA CHI:  (5 DG O4')-(5 DG C1')-(5 DG N9)-(5 DG C4) 170.0 310.0
 &rst     iat =   139,   140,   142,   156,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 6 CYT CHI:  (6 DC O4')-(6 DC C1')-(6 DC N1)-(6 DC C2) 170.0 310.0
 &rst     iat =   172,   173,   175,   185,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 7 GUA CHI:  (7 DG O4')-(7 DG C1')-(7 DG N9)-(7 DG C4) 170.0 310.0
 &rst     iat =   202,   203,   205,   219,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 8 ADE CHI:  (8 DA O4')-(8 DA C1')-(8 DA N9)-(8 DA C4) 170.0 310.0
 &rst     iat =   235,   236,   238,   251,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 9 GUA CHI:  (9 DG O4')-(9 DG C1')-(9 DG N9)-(9 DG C4) 170.0 310.0
 &rst     iat =   267,   268,   270,   284,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 10 GUA CHI:  (10 DG O4')-(10 DG C1')-(10 DG N9)-(10 DG C4) 170.0 310.0
 &rst     iat =   300,   301,   303,   317,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 11 GUA CHI:  (11 DG O4')-(11 DG C1')-(11 DG N9)-(11 DG C4) 170.0 310.0
 &rst     iat =   333,   334,   336,   350,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 12 ADE CHI:  (12 DA O4')-(12 DA C1')-(12 DA N9)-(12 DA C4) 170.0 310.0
 &rst     iat =   366,   367,   369,   382,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 13 GUA CHI:  (13 DG O4')-(13 DG C1')-(13 DG N9)-(13 DG C4) 170.0 310.0
 &rst     iat =   398,   399,   401,   415,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 14 CYT CHI:  (14 DC O4')-(14 DC C1')-(14 DC N1)-(14 DC C2) 170.0 310.0
 &rst     iat =   431,   432,   434,   444,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 15 GUA CHI:  (15 DG3 O4')-(15 DG3 C1')-(15 DG3 N9)-(15 DG3 C4) 170.0 310.0
 &rst     iat =   461,   462,   464,   478,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 16 GUA CHI:  (16 DG5 O4')-(16 DG5 C1')-(16 DG5 N9)-(16 DG5 C4) 170.0 310.0
 &rst     iat =   493,   494,   496,   510,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 17 GUA CHI:  (17 DG O4')-(17 DG C1')-(17 DG N9)-(17 DG C4) 170.0 310.0
 &rst     iat =   526,   527,   529,   543,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 18 GUA CHI:  (18 DG O4')-(18 DG C1')-(18 DG N9)-(18 DG C4) 170.0 310.0
 &rst     iat =   559,   560,   562,   576,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 19 ADE CHI:  (19 DA O4')-(19 DA C1')-(19 DA N9)-(19 DA C4) 170.0 310.0
 &rst     iat =   592,   593,   595,   608,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 20 GUA CHI:  (20 DG O4')-(20 DG C1')-(20 DG N9)-(20 DG C4) 170.0 310.0
 &rst     iat =   624,   625,   627,   641,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 21 CYT CHI:  (21 DC O4')-(21 DC C1')-(21 DC N1)-(21 DC C2) 170.0 310.0
 &rst     iat =   657,   658,   660,   670,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 22 GUA CHI:  (22 DG O4')-(22 DG C1')-(22 DG N9)-(22 DG C4) 170.0 310.0
 &rst     iat =   687,   688,   690,   704,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 23 ADE CHI:  (23 DA O4')-(23 DA C1')-(23 DA N9)-(23 DA C4) 170.0 310.0
 &rst     iat =   720,   721,   723,   736,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 24 GUA CHI:  (24 DG O4')-(24 DG C1')-(24 DG N9)-(24 DG C4) 170.0 310.0
 &rst     iat =   752,   753,   755,   769,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 25 GUA CHI:  (25 DG O4')-(25 DG C1')-(25 DG N9)-(25 DG C4) 170.0 310.0
 &rst     iat =   785,   786,   788,   802,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 26 GUA CHI:  (26 DG O4')-(26 DG C1')-(26 DG N9)-(26 DG C4) 170.0 310.0
 &rst     iat =   818,   819,   821,   835,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 27 ADE CHI:  (27 DA O4')-(27 DA C1')-(27 DA N9)-(27 DA C4) 170.0 310.0
 &rst     iat =   851,   852,   854,   867,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 28 GUA CHI:  (28 DG O4')-(28 DG C1')-(28 DG N9)-(28 DG C4) 170.0 310.0
 &rst     iat =   883,   884,   886,   900,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 29 CYT CHI:  (29 DC O4')-(29 DC C1')-(29 DC N1)-(29 DC C2) 170.0 310.0
 &rst     iat =   916,   917,   919,   929,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 30 GUA CHI:  (30 DG3 O4')-(30 DG3 C1')-(30 DG3 N9)-(30 DG3 C4) 170.0 310.0
 &rst     iat =   946,   947,   949,   963,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end
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# EPSILON_BETA
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# 970 atoms read from pdb file tp.pdb.
# 1 GUA EPSLN:  (1 DG5 C4')-(1 DG5 C3')-(1 DG5 O3')-(2 DG P) -90.0 160.0
 &rst     iat =     6,    26,    31,    32,
   r1 = -91.0, r2 = -90.0, r3 = 160.0, r4 = 161.0,
   rk2 =   500.0, rk3 =   500.0,    &end

# 2 GUA EPSLN:  (2 DG C4')-(2 DG C3')-(2 DG O3')-(3 DG P) -90.0 160.0
 &rst     iat =    39,    59,    64,    65,
   r1 = -91.0, r2 = -90.0, r3 = 160.0, r4 = 161.0,
 &end

# 3 GUA EPSLN:  (3 DG C4')-(3 DG C3')-(3 DG O3')-(4 DA P) -90.0 160.0
 &rst     iat =    72,    92,    97,    98,
   r1 = -91.0, r2 = -90.0, r3 = 160.0, r4 = 161.0,
 &end

# 2 GUA BETA:  (2 DG P)-(2 DG O5')-(2 DG C5')-(2 DG C4')  70.0 100.0
 &rst     iat =    32,    35,    36,    39,
   r1 =  69.0, r2 =  70.0, r3 = 100.0, r4 = 101.0,
 &end

# 3 GUA BETA:  (3 DG P)-(3 DG O5')-(3 DG C5')-(3 DG C4')  70.0 100.0
 &rst     iat =    65,    68,    69,    72,
   r1 =  69.0, r2 =  70.0, r3 = 100.0, r4 = 101.0,
 &end

# 4 ADE BETA:  (4 DA P)-(4 DA O5')-(4 DA C5')-(4 DA C4')  70.0 100.0
 &rst     iat =    98,   101,   102,   105,
   r1 =  69.0, r2 =  70.0, r3 = 100.0, r4 = 101.0,
 &end

# 16 GUA EPSLN:  (16 DG5 C4')-(16 DG5 C3')-(16 DG5 O3')-(17 DG P) -90.0 160.0
 &rst     iat =   491,   511,   516,   517,
   r1 = -91.0, r2 = -90.0, r3 = 160.0, r4 = 161.0,
 &end

# 17 GUA EPSLN:  (17 DG C4')-(17 DG C3')-(17 DG O3')-(18 DG P) -90.0 160.0
 &rst     iat =   524,   544,   549,   550,
   r1 = -91.0, r2 = -90.0, r3 = 160.0, r4 = 161.0,
 &end

# 18 GUA EPSLN:  (18 DG C4')-(18 DG C3')-(18 DG O3')-(19 DA P) -90.0 160.0
 &rst     iat =   557,   577,   582,   583,
   r1 = -91.0, r2 = -90.0, r3 = 160.0, r4 = 161.0,
 &end

# 17 GUA BETA:  (17 DG P)-(17 DG O5')-(17 DG C5')-(17 DG C4')  70.0 100.0
 &rst     iat =   517,   520,   521,   524,
   r1 =  69.0, r2 =  70.0, r3 = 100.0, r4 = 101.0,
 &end

# 18 GUA BETA:  (18 DG P)-(18 DG O5')-(18 DG C5')-(18 DG C4')  70.0 100.0
 &rst     iat =   550,   553,   554,   557,
   r1 =  69.0, r2 =  70.0, r3 = 100.0, r4 = 101.0,
 &end

# 19 ADE BETA:  (19 DA P)-(19 DA O5')-(19 DA C5')-(19 DA C4')  70.0 100.0
 &rst     iat =   583,   586,   587,   590,
   r1 =  69.0, r2 =  70.0, r3 = 100.0, r4 = 101.0,
 &end
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Contact the webmaster for help, if required. Tuesday, May 21, 2024 5:52:33 PM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	585599	2mjj	19728	cing	1-original	4	AMBER	dihedral angle