NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | type |
10313 | 1pjf | 5877 | cing | 1-original | 1 | comment |
Thiriot, D.S. and Opella, S.J. et al. Summary of constraints used in the calculation of structure 1PJF.pdb For 200 structures calculated: Backbone mean RMSD of family to average structure = 1.056 angstroms For the best 25 structures as assessed by statistical ramachandran potential from pdb structures: Backbone mean RMSD of family to average structure = 0.876 angstroms The monomer structure in 1PJF was selected from the 25 best as the family member with the structure nearest to the average structure. In 1PJF, this is model 1, without sidechains, and is the only backbone conformer represented. All other models are rotations and translations of model 1 to construct a virion model. Structure calculation used the following values. 15N chemical shift tensor: sigma11 64 +/- 7 ppm (all except glycine) sigma22 77 +/- 7 ppm sigma33 222 +/- 7 ppm 15N chemical shift tensor: sigma11 41 +/- 7 ppm (glycine) sigma22 64 +/- 7 ppm sigma33 215 +/- 7 ppm Chemical shift referencing was to external solid powdered 15N ammonium sulfate, defined as 26.8 ppm Bond angles (degrees): gamma 18.5 (angle between the N-H bond and sigma33 axis of 15N chemical shift tensor) HNCa 118.2 NCoCa 115.6 HNCo 119.5 NCaCo 110.5 CaCoO 121.1 NCoO 123.2 Bond lengths (angstroms): CaCo 1.52 CoN 1.33 NCa 1.46 NH 1.07 CoO 1.23
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