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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 RgIA, a Novel Conotoxin that Blocks the nAChR.

BMRB ID: 15367

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Graph for RgIA, a Novel Conotoxin that Blocks the nAChR

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_08050

RMSD against lowest energy structure for all residues

Structure Score
S_08050.pdb 0.1659
S_07399.pdb 0.1008
S_01813.pdb 0.1000
S_03297.pdb 0.0245
S_07978.pdb 0.0472
S_08565.pdb 0.0835
S_00617.pdb 0.2014
S_04641.pdb 0.0266
S_05230.pdb 0.0306
S_04834.pdb 0.1020
Averaged Ca-rmsd 0.088 +/- 0.060

RMSD against lowest energy structure for residues 1-13

Structure Score
S_08050.pdb 0.1625
S_07399.pdb 0.0990
S_01813.pdb 0.0979
S_03297.pdb 0.0255
S_07978.pdb 0.0468
S_08565.pdb 0.0822
S_00617.pdb 0.1967
S_04641.pdb 0.0274
S_05230.pdb 0.0305
S_04834.pdb 0.0999
Averaged Ca-rmsd 0.087 +/- 0.058

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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