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Results for submission 1H, 15N backbone chemical shift assignemnt of the G26K,D27S,D31A triple mutant of the protein CyaY.

BMRB ID: 15236

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Graph for 1H, 15N backbone chemical shift assignemnt of the G26K,D27S,D31A triple mutant of the protein CyaY

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_0027_104_0001

RMSD against lowest energy structure for all residues

Structure Score
S_0027_104_0001.pdb 1.5855
S_0012_131_0001.pdb 1.1683
S_0020_9_0001.pdb 1.3055
S_0024_169_0001.pdb 1.5644
S_0024_0001.pdb 3.3371
S_0004_168_0001.pdb 1.7030
S_0015_312_0001.pdb 1.6751
S_0010_330_0001.pdb 1.6156
S_0006_72_0001.pdb 0.9258
S_0018_232_0001.pdb 1.1282
Averaged Ca-rmsd 1.601 +/- 0.665

RMSD against lowest energy structure for residues 2-108

Structure Score
S_0027_104_0001.pdb 1.5429
S_0012_131_0001.pdb 1.1684
S_0020_9_0001.pdb 1.2959
S_0024_169_0001.pdb 1.5447
S_0024_0001.pdb 3.3515
S_0004_168_0001.pdb 1.6962
S_0015_312_0001.pdb 1.6081
S_0010_330_0001.pdb 1.6166
S_0006_72_0001.pdb 0.9301
S_0018_232_0001.pdb 1.0863
Averaged Ca-rmsd 1.584 +/- 0.673

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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