NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | position | type |
|
|
12448 |
1szy   |
cing | 1-original | 5 | comment |
README This file
JPR topology and parameter files, March 1996
dna-rna-allatom.top JPR top file plus changes:
Commented out remarks and set echo/message statements
Commented out all dihedrals except alpha-gamma, epsilon, zeta (and their
equivalents on 5' and 3' termini).
Commented out remaining dihedrals, since they weren't helpful
dna-rna-allatom.top.old JPR top file
dna-rna-allatom.par JPR par file plus changes:
Commented out remarks and set echo/message statements
Commented out second definitions of terminal hydroxyl dihedrals with
periodicity 2 (?!?)
Commented out erroneous "DIHEdral X C6A N4C X"
Commented out all dihedrals except alpha-gamma, epsilon, zeta (and their
equivalents on 5' and 3' termini). Note that I commented out the amino
dihedrals because they have no counterpart in the topology file, but
that there are impropers which do the same job.
Changed x_eq for backbone dihedrals to A-form angles from Sanger
Commented out remaining dihedrals, since they weren't helpful
dna-rna-allatom.par.old JPR par file
Number of segments = 1
Number of residues = 21
segid num res alpha beta gamma eps zeta chi nu0 nu1 nu2 nu3 nu4
------ --- --- ------ ------- ------- ------- ------- ------- ------- ------- ------- ------- -------
A 1 GUA 0.00 -168.88 40.92 -147.66 -74.73 -157.97 1.66 -24.57 36.86 -36.92 22.21
A 2 GUA -58.81 173.82 43.71 -155.75 -72.41 -155.47 -0.36 -24.25 38.22 -39.48 25.07
A 3 CYT -63.42 178.55 48.26 -151.81 -75.88 -161.20 1.96 -25.16 37.49 -37.41 22.36
A 4 ADE -58.35 175.38 45.83 -152.66 -74.26 -154.76 0.57 -24.13 37.19 -37.89 23.52
A 5 GUA -55.22 173.78 44.73 -152.21 -74.20 -155.90 -0.86 -23.50 37.61 -39.09 25.17
A 6 GUA -60.11 174.36 47.15 -158.30 -70.95 -155.59 0.08 -24.67 38.52 -39.46 24.82
A 7 GUA -61.81 178.43 52.45 -151.57 -60.89 -156.64 -0.32 -21.55 33.92 -35.15 22.39
A 8 CYT -68.45 -162.99 43.90 -125.92 -85.01 -161.69 14.44 -30.25 33.72 -26.47 7.73
A 9 URI -37.87 161.65 39.08 -149.53 -50.59 -162.25 -1.54 -20.06 32.74 -34.66 22.80
A 10 CYT 119.21 167.25 68.15 -116.32 -81.40 -127.59 -13.47 22.64 -22.62 15.73 -1.62
A 11 ADE -97.54 157.10 51.30 -169.84 -71.20 -124.34 -7.64 -17.16 33.90 -39.21 29.44
A 12 URI -64.22 169.84 69.80 -98.91 -93.75 -127.79 -30.44 24.14 -9.56 -7.42 23.63
A 13 ADE -91.56 154.78 53.07 -159.94 -70.77 -150.17 12.77 -34.71 42.35 -36.04 14.73
A 14 ADE -64.91 149.14 84.18 -117.45 -68.27 175.75 5.57 -28.29 39.03 -36.90 19.75
A 15 CYT -52.77 162.66 44.20 -151.63 -80.21 -162.89 -0.11 -24.70 38.68 -39.81 25.13
A 16 CYT -52.99 175.42 41.66 -148.81 -76.91 -161.01 3.84 -26.07 37.15 -36.01 20.31
A 17 CYT -57.88 172.14 45.46 -154.01 -77.64 -162.81 1.56 -25.61 38.60 -38.73 23.42
A 18 URI -53.22 176.02 42.70 -149.29 -77.46 -161.44 3.93 -26.39 37.56 -36.36 20.48
A 19 GUA -52.85 171.81 42.78 -153.56 -72.65 -156.43 0.60 -24.86 38.36 -39.04 24.22
A 20 CYT -60.61 177.86 45.73 -154.70 -74.38 -161.79 2.02 -25.27 37.63 -37.51 22.36
A 21 CYT -62.35 177.52 49.84 0.00 0.00 -161.13 1.80 -23.87 35.53 -35.59 21.32
Contact the webmaster for help, if required. Friday, July 5, 2024 8:29:26 AM GMT (wattos1)