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Results for submission NMR Structure of E. Coli YehR Protein. Northeast Structural Genomics Target ER538..

BMRB ID: 15167

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Graph for NMR Structure of E. Coli YehR Protein. Northeast Structural Genomics Target ER538.

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_0003_352_0001

RMSD against lowest energy structure for all residues

Structure Score
S_0003_352_0001.pdb 2.1128
S_0018_345_0001.pdb 1.7317
S_0015_179_0001.pdb 1.8804
S_0003_86_0001.pdb 2.7484
S_0020_340_0001.pdb 2.7432
S_0017_274_0001.pdb 2.8040
S_0019_112_0001.pdb 2.4950
S_0005_42_0001.pdb 1.7453
S_0019_390_0001.pdb 3.0088
S_0008_23_0001.pdb 2.5046
Averaged Ca-rmsd 2.377 +/- 0.473

RMSD against lowest energy structure for residues 1-130

Structure Score
S_0003_352_0001.pdb 1.6375
S_0018_345_0001.pdb 1.3972
S_0015_179_0001.pdb 1.5044
S_0003_86_0001.pdb 2.6243
S_0020_340_0001.pdb 1.9173
S_0017_274_0001.pdb 2.6565
S_0019_112_0001.pdb 1.4355
S_0005_42_0001.pdb 1.5478
S_0019_390_0001.pdb 1.3019
S_0008_23_0001.pdb 1.7608
Averaged Ca-rmsd 1.778 +/- 0.488

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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