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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 Backbone 1H Chemical Shift Assignments for peptide sMTM7 from subunit a of proton V-ATPase.

BMRB ID: 15025

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Graph for Backbone 1H Chemical Shift Assignments for peptide sMTM7 from subunit a of proton V-ATPase

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_00845

RMSD against lowest energy structure for all residues

Structure Score
S_00845.pdb 0.9474
S_07902.pdb 0.9685
S_08771.pdb 1.0016
S_04681.pdb 0.9581
S_07981.pdb 0.9653
S_01774.pdb 0.9789
S_04965.pdb 3.5085
S_05749.pdb 0.9155
S_02219.pdb 0.9527
S_05938.pdb 3.5047
Averaged Ca-rmsd 1.470 +/- 1.074

RMSD against lowest energy structure for residues 1-25

Structure Score
S_00845.pdb 0.8998
S_07902.pdb 0.9290
S_08771.pdb 0.9631
S_04681.pdb 0.9212
S_07981.pdb 0.9164
S_01774.pdb 0.9399
S_04965.pdb 3.3102
S_05749.pdb 0.8723
S_02219.pdb 0.9436
S_05938.pdb 3.3445
Averaged Ca-rmsd 1.404 +/- 1.014

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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