NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
480576 |
2p0p   |
7381 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
#
# 126 PHE HD 32 TRP HE1 3.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
igr1=2006,2014,
&end
#
# 126 PHE HE 32 TRP HE1 3.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 504, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr1=2008,2012,
&end
#
# 105 VAL MGY 104 ASP HA 5.00 (# 3916:20)
&rst
ixpk= 3916, nxpk= 20, iat= -1,1648, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1664,1665,1666,1668,1669,1670,
&end
#
# 25 LYS HB+ 26 GLU HA 5.00 (# 990:20)
&rst
ixpk= 990, nxpk= 20, iat= -1, 408, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr1= 388, 389,
&end
#
# 25 LYS HA 25 LYS HB+ 3.00 (# 989:20)
&rst
ixpk= 989, nxpk= 20, iat= 386, -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
igr2= 388, 389,
&end
#
# 105 VAL HN 104 ASP HA 3.00 (# 2035:20)
&rst
ixpk= 2035, nxpk= 20, iat=1658,1648, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50, &end
#
# 25 LYS HB+ 126 PHE HB+ 5.00 (# 3309:20 !!!!)
&rst
ixpk= 3309, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
igr1= 388, 389,
igr2=2002,2003,
&end
#
# 25 LYS HB+ 126 PHE HB- 4.00 (# 3310:20 !!!!)
&rst
ixpk= 3310, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
igr1= 388, 389,
igr2=2002,2003,
&end
#
# 11 GLU HB- 11 GLU HA 4.00 (# 3402:20)
&rst
ixpk= 3402, nxpk= 20, iat= -1, 164, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr1= 166, 167,
&end
#
# 2 ALA MB 2 ALA HA 4.00 (# 399:20)
&rst
ixpk= 399, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 25, 26, 27,
&end
#
# 3 SER QB 2 ALA QB 5.00 (# 1686:20 )
&rst
ixpk= 1686, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1= 35, 36,
igr2= 25, 26, 27,
&end
#
# 122 ARG HA 2 ALA MB 5.00 (# 1687:20)
&rst
ixpk= 1687, nxpk= 20, iat=1926, -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr2= 25, 26, 27,
&end
#
# 2 ALA MB 3 SER HA 5.00 (# 259:20)
&rst
ixpk= 259, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
igr1= 25, 26, 27,
&end
#
# 2 ALA MB 122 ARG HA 4.50 (# 377:20)
&rst
ixpk= 377, nxpk= 20, iat= -1,1926, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
igr1= 25, 26, 27,
&end
#
# 2 ALA MB 2 ALA HA 4.00 (# 399:20)
&rst
ixpk= 399, nxpk= 20, iat= -1, 23, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
igr1= 25, 26, 27,
&end
#
# 4 VAL MGY 3 SER HA 4.50 (# 260:20)
&rst
ixpk= 260, nxpk= 20, iat= -1, 33, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 48, 49, 50, 52, 53, 54,
&end
#
# 4 VAL HN 3 SER HB- 6.00 (# 1920:20)
&rst
ixpk= 1920, nxpk= 20, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr2= 35, 36,
&end
#
# 4 VAL HN 3 SER HA 4.00 (# 1974:20)
&rst
ixpk= 1974, nxpk= 20, iat= 42, 33, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, &end
#
# 90 ASP HN 90 ASP HB+ 4.00 (# 2243:20)
&rst
ixpk= 2243, nxpk= 20, iat=1434, -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
igr2=1438,1439,
&end
#
# 4 VAL HN 3 SER HB- 5.00 (# 3635:20)
&rst
ixpk= 3635, nxpk= 20, iat= 42, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 35, 36,
&end
#
# 122 ARG HN 4 VAL MGX 5.00 (# 2901:20)
&rst
ixpk= 2901, nxpk= 20, iat=1924, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 20 VAL MGX 22 ALA HN 4.50 (#2901ambig)
&rst
ixpk= 2901, nxpk= 20, iat= -1, 347, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
igr1= 325, 326, 327, 329, 330, 331,
&end
#
# 4 VAL HN 4 VAL HB 4.50 (# 2430:20)
&rst
ixpk= 2430, nxpk= 20, iat= 42, 46, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00, &end
#
# 5 GLU HN 4 VAL MGY 5.00 (# 2867:20)
&rst
ixpk= 2867, nxpk= 20, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 5 GLU HN 4 VAL MGX 5.00 (# 2906:20)
&rst
ixpk= 2906, nxpk= 20, iat= 58, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 48, 49, 50, 52, 53, 54,
&end
#
# 4 VAL HB 4 VAL HA 5.00 (# 3154:20)
&rst
ixpk= 3154, nxpk= 20, iat= 46, 44, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 25 LYS HE+ 25 LYS HA 6.00 (# 3522:20)
&rst
ixpk= 3522, nxpk= 20, iat= -1, 386, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
igr1= 397, 398,
&end
#
# 29 ALA HN 27 GLU HA 6.00 (# 1966:20)
&rst
ixpk= 1966, nxpk= 20, iat= 460, 423, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50, &end
#
# 18 ILE HN 18 ILE HA 5.00 (# 3214:20)
&rst
ixpk= 3214, nxpk= 20, iat= 281, 283, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50, &end
#
# 27 GLU HN 26 GLU HG+ 5.00 (# 3802:20)
&rst
ixpk= 3802, nxpk= 20, iat= 421, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 413, 414,
&end
#
# 30 MET ME 78 MET ME 5.00 (# 1541:20)
&rst
ixpk= 1541, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
igr1= 481, 482, 483,
igr2=1271,1272,1273,
&end
#
# 36 LEU HN 36 LEU MDX 5.00 (# 2703:20)
&rst
ixpk= 2703, nxpk= 20, iat= 581, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr2= 590, 591, 592, 594, 595, 596,
&end
#
# 62 THR MG2 45 MET QG 5.00 (# 1008:20)
&rst
ixpk= 1008, nxpk= 20, iat= -1, -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
igr1=1035,1036,1037,
igr2= 733, 734,
&end
#
# 61 LYS HN 60 GLU HG+ 5.00 (# 2325:20)
&rst
ixpk= 2325, nxpk= 20, iat=1007, -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
igr2= 999,1000,
&end
Contact the webmaster for help, if required. Monday, May 13, 2024 9:33:43 AM GMT (wattos1)