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 Rub184b.

BMRB ID: 15202

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Graph for Rub184b

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_0010_86_0001

RMSD against lowest energy structure for all residues

Structure Score
S_0010_86_0001.pdb 1.1644
S_0004_462_0001.pdb 1.0204
S_0009_12_0001.pdb 0.8062
S_0016_316_0001.pdb 0.9915
S_0012_108_0001.pdb 1.0051
S_0006_473_0001.pdb 1.2177
S_0008_422_0001.pdb 1.0070
S_0012_374_0001.pdb 0.9582
S_0014_499_0001.pdb 0.9113
S_0018_300_0001.pdb 0.9563
Averaged Ca-rmsd 1.004 +/- 0.117

RMSD against lowest energy structure for residues 1-166

Structure Score
S_0010_86_0001.pdb 1.1587
S_0004_462_0001.pdb 1.0170
S_0009_12_0001.pdb 0.8034
S_0016_316_0001.pdb 0.9911
S_0012_108_0001.pdb 1.0064
S_0006_473_0001.pdb 1.1947
S_0008_422_0001.pdb 1.0097
S_0012_374_0001.pdb 0.9531
S_0014_499_0001.pdb 0.9036
S_0018_300_0001.pdb 0.9540
Averaged Ca-rmsd 0.999 +/- 0.113

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

The flexible tails of this protein were automatically trimmed by the server. This means that the results you see might not have the same residue sequence as the data you submitted.

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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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