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Results for submission Solution NMR structure of Hypothetical Protein Cgl2762 from Corynebacterium Glutamicum: Northeast Structural Genomics Consortium Target CgR3.

BMRB ID: 15086

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Graph for Solution NMR structure of Hypothetical Protein Cgl2762 from Corynebacterium Glutamicum: Northeast Structural Genomics Consortium Target CgR3

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_0006_184_0001

RMSD against lowest energy structure for all residues

Structure Score
S_0006_184_0001.pdb 5.9236
S_0026_39_0001.pdb 7.4176
S_0007_325_0001.pdb 6.5934
S_0010_306_0001.pdb 9.3076
S_0020_323_0001.pdb 12.8390
S_0013_108_0001.pdb 5.1265
S_0016_159_0001.pdb 7.9057
S_0025_307_0001.pdb 7.7426
S_0013_126_0001.pdb 4.7254
S_0017_273_0001.pdb 8.0753
Averaged Ca-rmsd 7.566 +/- 2.332

RMSD against lowest energy structure for residues 1-50

Structure Score
S_0006_184_0001.pdb 2.6350
S_0026_39_0001.pdb 2.4781
S_0007_325_0001.pdb 2.7337
S_0010_306_0001.pdb 3.1209
S_0020_323_0001.pdb 3.2670
S_0013_108_0001.pdb 2.6392
S_0016_159_0001.pdb 2.8216
S_0025_307_0001.pdb 2.8424
S_0013_126_0001.pdb 2.5607
S_0017_273_0001.pdb 2.6101
Averaged Ca-rmsd 2.771 +/- 0.251

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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