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 Northeast Structural Genomics Consortium Target ER411.

BMRB ID: 15088

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Graph for Northeast Structural Genomics Consortium Target ER411

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_05183

RMSD against lowest energy structure for all residues

Structure Score
S_05183.pdb 3.3257
S_06208.pdb 4.9197
S_06370.pdb 3.9368
S_06167.pdb 3.4309
S_04076.pdb 3.1078
S_04129.pdb 4.2966
S_06917.pdb 2.8763
S_08938.pdb 2.8340
S_04732.pdb 3.3417
S_07545.pdb 4.0784
Averaged Ca-rmsd 3.615 +/- 0.674

RMSD against lowest energy structure for residues 10-105

Structure Score
S_05183.pdb 1.1034
S_06208.pdb 1.5378
S_06370.pdb 1.3028
S_06167.pdb 1.3364
S_04076.pdb 0.9422
S_04129.pdb 1.4632
S_06917.pdb 1.0059
S_08938.pdb 1.5452
S_04732.pdb 1.5055
S_07545.pdb 1.1781
Averaged Ca-rmsd 1.292 +/- 0.225

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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