Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Results for submission Hydrogenase isoenzymes formation protein HypC.

BMRB ID: 15152

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Graph for Hydrogenase isoenzymes formation protein HypC

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_09147

RMSD against lowest energy structure for all residues

Structure Score
S_09147.pdb 3.1372
S_06414.pdb 3.6076
S_09421.pdb 5.0826
S_02784.pdb 3.2606
S_09528.pdb 4.2214
S_01029.pdb 4.2321
S_02830.pdb 3.5805
S_09432.pdb 4.7071
S_07566.pdb 4.9686
S_00857.pdb 2.8932
Averaged Ca-rmsd 3.969 +/- 0.785

RMSD against lowest energy structure for residues 2-77

Structure Score
S_09147.pdb 1.3333
S_06414.pdb 2.2431
S_09421.pdb 1.2842
S_02784.pdb 2.3700
S_09528.pdb 2.6949
S_01029.pdb 1.6139
S_02830.pdb 0.9460
S_09432.pdb 1.9386
S_07566.pdb 2.5906
S_00857.pdb 1.5201
Averaged Ca-rmsd 1.853 +/- 0.602

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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