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A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Results for submission Solution structure of UPF0350 protein VC_2471: Northeast Structural Genomics Target VcR36.

BMRB ID: 15320

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Graph for Solution structure of UPF0350 protein VC_2471: Northeast Structural Genomics Target VcR36

It appears this run did not converge (based on the residues marked non-flexible). While the best predicted structure is displayed, the lack of convergence means that this structure is unlikely to resemble the actual structure. Furthermore, it is not necessarily representative of the ensemble of structures formed.

Lowest energy structure: S_0013_338_0001

RMSD against lowest energy structure for all residues

Structure Score
S_0013_338_0001.pdb 8.7820
S_0022_116_0001.pdb 6.7980
S_0027_67_0001.pdb 7.8591
S_0006_76_0001.pdb 9.5257
S_0003_31_0001.pdb 6.4347
S_0002_295_0001.pdb 6.1117
S_0025_162_0001.pdb 9.5721
S_0006_301_0001.pdb 6.5492
S_0025_21_0001.pdb 9.4364
S_0009_92_0001.pdb 7.0234
Averaged Ca-rmsd 7.809 +/- 1.400

RMSD against lowest energy structure for residues 64-88

Structure Score
S_0013_338_0001.pdb 3.0969
S_0022_116_0001.pdb 2.7278
S_0027_67_0001.pdb 2.7698
S_0006_76_0001.pdb 2.9818
S_0003_31_0001.pdb 2.8466
S_0002_295_0001.pdb 2.7030
S_0025_162_0001.pdb 2.6940
S_0006_301_0001.pdb 2.8811
S_0025_21_0001.pdb 2.8408
S_0009_92_0001.pdb 2.9329
Averaged Ca-rmsd 2.847 +/- 0.131

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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