BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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CS-Rosetta Results Access

Results for submission 1H assignment of En-6.

BMRB ID: 15058

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Graph for 1H assignment of En-6

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_01863

RMSD against lowest energy structure for all residues

Structure Score
S_01863.pdb 5.5645
S_04896.pdb 8.2040
S_06393.pdb 5.2482
S_03508.pdb 7.6965
S_05519.pdb 8.2139
S_07473.pdb 9.1097
S_06348.pdb 5.5268
S_04328.pdb 8.0356
S_03031.pdb 7.6230
S_00381.pdb 7.1068
Averaged Ca-rmsd 7.233 +/- 1.337

RMSD against lowest energy structure for residues 15-34

Structure Score
S_01863.pdb 2.1452
S_04896.pdb 3.0648
S_06393.pdb 2.3734
S_03508.pdb 2.2996
S_05519.pdb 2.6090
S_07473.pdb 2.1347
S_06348.pdb 2.4748
S_04328.pdb 3.8954
S_03031.pdb 2.1396
S_00381.pdb 2.2999
Averaged Ca-rmsd 2.544 +/- 0.552

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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