NMR Restraints Grid

PDB id (or list)

What is the NMR Restraints Grid?

The NMR Restraints Grid contains the original NMR data as collected for over 2500 protein and nucleic acid structures with corresponding PDB entries. In addition to the original restraints, most of the distance, dihedral angle and RDC restraint data (>85%) were parsed, and those in over 500 entries were converted and filtered. The converted and filtered data sets constitute the DOCR and FRED databases respectively as described in these references.

For tips on using this interface and how to link to it, check the howto. A block is a section of data of similar type such as hydrogen bond distance restraints or RDCs.

BMRB id (or list)
Stage
Hide the grouped block counts for the software formats if there are less blocks than:

There are 10,932,497 parsed constraints in 8172 entries

Result table

Type Subtype Subsubtype Total AMBER DISCOVER DYANA/DIANA MR format n/a STAR unknown Wattos XEASY XML XPLOR/CNS
Total


215711 1307 855 44493 16395 2767 55446 546 33145 143 8041 52137

angle

11 9




2




check completeness distance 7121






7121



check stereo assignment distance 7129






7129



check surplus distance 7143






7143



check violation dihedral angle 4615






4615



check violation distance 7137






7137



chemical shift
format 1 3



3






chemical shift
format 3 26



26






chemical shift

241



5 29 44
8
126

chemical shift anisotropy

12





1


11

chemical shift difference

6





6




comment

21787 1

8169 2715 10898



4

coordinate alignment tensor
3











coordinate ensemble
7616

1


1


7599

coordinate initial
33





2




coupling constant

261

35 20
1 9


177

dihedral angle

21387 448 206 6687 34 2 5411 75


8497

dihedral combo ambi
154

154








dipolar coupling

2963 27 1 55 2 3 1021 33


1816

distance disulfide bond ambi 4




2



2

distance disulfide bond simple 426 2 10 100 6
208 1


98

distance general distance ambi 29343 1 1 19408

47



9885

distance general distance simple 2612 31 41 772 6
1283 15


452

distance hydrogen bond ambi 9350

6172

31



3147

distance hydrogen bond simple 6660 132 131 624 4
3268 43


2438

distance NOE ambi 2424 69 10 4

1172 12


1103

distance NOE simple 15922 343 291 2817 50
7735 162


4445

distance NOE build-up simple 9









9

distance NOE not seen ambi 4




2



2

distance NOE not seen simple 14




6



6

distance PRE
109

6

54 1


48

distance symmetry simple 10









10

entry full
32291




24255


8036

exchange

3





3




intervector projection angle

1









1

line-broadening

1





1




molecular system

14





2


12

n/a

9



9






nomenclature mapping

8100


8100







other

4




4





peak

335

9 2

17
134 5 38

planarity

128 8




2


118

protocol structure calculation
14



2




9

pseudocontact shift

13

10
1
2




relaxation

3




2 1




sequence

19634

7617

10 6


12001

small-angle x-ray scattering

11





11




stereochemistry chirality
302 181 103 1


5


12

stereochemistry prochirality
74
60 1 1

7


1

stereospecific assignment

15

4 1

10




unknown

224 55 1 16
1 7 72
1
70


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

Contact the webmaster for help, if required. Friday, March 6, 2015 2:01:44 PM CST (wattos1)