Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Results for submission MxiHCdelta5 backbone assignment.

BMRB ID: 15214

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Graph for MxiHCdelta5 backbone assignment

This run appears to have converged (based on the residues marked non-flexible). That means that the results may be a meaningful prediction of the real structure. Please validate the structure against your experimental data.

Lowest energy structure: S_0022_253_0001

RMSD against lowest energy structure for all residues

Structure Score
S_0022_253_0001.pdb 1.3437
S_0030_332_0001.pdb 1.2456
S_0004_233_0001.pdb 2.1811
S_0008_316_0001.pdb 1.8415
S_0023_311_0001.pdb 5.3911
S_0017_65_0001.pdb 1.3073
S_0030_7_0001.pdb 1.9703
S_0028_271_0001.pdb 1.5439
S_0024_53_0001.pdb 1.5689
S_0021_98_0001.pdb 3.4389
Averaged Ca-rmsd 2.183 +/- 1.298

RMSD against lowest energy structure for residues 1-84

Structure Score
S_0022_253_0001.pdb 1.2348
S_0030_332_0001.pdb 1.1951
S_0004_233_0001.pdb 1.8019
S_0008_316_0001.pdb 1.7972
S_0023_311_0001.pdb 4.7233
S_0017_65_0001.pdb 1.2125
S_0030_7_0001.pdb 1.7334
S_0028_271_0001.pdb 1.3889
S_0024_53_0001.pdb 1.5369
S_0021_98_0001.pdb 2.6361
Averaged Ca-rmsd 1.926 +/- 1.073

This entry was calculated with Rosetta version 3.5 and version 3.2 of the CS-Rosetta Toolbox.

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Citation information:

"Determination of solution structures of proteins up to 40 kDa using CS-Rosetta with sparse NMR data from deuterated samples" Oliver F. Lange; Paolo Rossi; Nikolaos G. Sgourakis; Yifan Song; Hsiau-Wei Lee; James M. Aramini; Asli Ertekin; Rong Xiao; Thomas B. Acton; Gaetano T. Montelione; David Baker; Proceedings of the National Academy of Sciences 109(27) 10873-10878 (2012) doi: 10.1073/pnas.1203013109

"De novo structure generation using chemical shifts for proteins with high-sequence identity but different folds," Yang Shen; Philip N. Bryan; Yanan He; John Orban; David Baker; Ad Bax; Protein Science 19, 349-356 (2010) doi: 10.1002/pro.303

"De novo protein structure generation from incomplete chemical shift assignments," Yang Shen; Robert Vernon; David Baker; Ad Bax; J. Biomol. NMR 43, 63-78 (2009) doi: 10.1007/s10858-008-9288-5

"Consistent blind protein structure generation from NMR chemical shift data," Yang Shen; Oliver Lange; Frank Delaglio; Paolo Rossi; James M. Aramini; Gaohua Liu; Alexander Eletsky; Yibing Wu; Kiran K. Singarapu; Alexander Lemak; Alexandr Ignatchenko; Cheryl H. Arrowsmith; Thomas Szyperski; Gaetano T. Montelione; David Baker; Ad Bax; Proceedings of the National Academy of Sciences 105(12) 4685-4690 (2008) doi: 10.1073/pnas.0800256105

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