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 NMR structure of D4P/K7G mutant of GPM12.

BMRB ID: 15107

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Graph for NMR structure of D4P/K7G mutant of GPM12

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_07016

RMSD against lowest energy structure for all residues

Structure Score
S_07016.pdb 0.0151
S_04319.pdb 0.0199
S_08699.pdb 0.0176
S_00904.pdb 0.0139
S_01558.pdb 0.0073
S_09157.pdb 0.0047
S_07235.pdb 0.0172
S_03245.pdb 0.0203
S_07845.pdb 0.0248
S_01791.pdb 0.0060
Averaged Ca-rmsd 0.015 +/- 0.007

RMSD against lowest energy structure for residues 1-10

Structure Score
S_07016.pdb 0.0126
S_04319.pdb 0.0151
S_08699.pdb 0.0147
S_00904.pdb 0.0102
S_01558.pdb 0.0044
S_09157.pdb 0.0040
S_07235.pdb 0.0143
S_03245.pdb 0.0161
S_07845.pdb 0.0195
S_01791.pdb 0.0059
Averaged Ca-rmsd 0.012 +/- 0.005

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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