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Results for submission Resonance assignments of the metal sensor CzrA in the apo-, Zn2- and DNA-bound (42 kDa) states.

BMRB ID: 15177

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Graph for Resonance assignments of the metal sensor CzrA in the apo-, Zn2- and DNA-bound (42 kDa) states

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_02017

RMSD against lowest energy structure for all residues

Structure Score
S_02017.pdb 3.5693
S_03392.pdb 2.7989
S_09702.pdb 2.4709
S_01103.pdb 2.6699
S_07126.pdb 2.7508
S_02285.pdb 3.3125
S_04594.pdb 2.1074
S_02458.pdb 3.3529
S_07838.pdb 1.8283
S_04468.pdb 2.2933
Averaged Ca-rmsd 2.715 +/- 0.567

RMSD against lowest energy structure for residues 7-102

Structure Score
S_02017.pdb 2.0672
S_03392.pdb 1.4675
S_09702.pdb 1.5394
S_01103.pdb 1.8208
S_07126.pdb 2.1873
S_02285.pdb 1.9645
S_04594.pdb 1.1452
S_02458.pdb 1.8364
S_07838.pdb 1.4453
S_04468.pdb 1.3963
Averaged Ca-rmsd 1.687 +/- 0.336

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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