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 Structural Studies on Plasmodium vivax Merozoite Surface Protein-1.

BMRB ID: 15007

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Graph for Structural Studies on Plasmodium vivax Merozoite Surface Protein-1

It appears this run did not converge (based on the residues marked non-flexible). While the best predicted structure is displayed, the lack of convergence means that this structure is unlikely to resemble the actual structure. Furthermore, it is not necessarily representative of the ensemble of structures formed.

Lowest energy structure: S_03099

RMSD against lowest energy structure for all residues

Structure Score
S_03099.pdb 5.6491
S_09659.pdb 6.3302
S_07573.pdb 4.9542
S_08106.pdb 5.9314
S_04693.pdb 6.2662
S_04657.pdb 6.3378
S_05868.pdb 6.1992
S_09879.pdb 11.1705
S_08100.pdb 8.5945
S_03644.pdb 5.9761
Averaged Ca-rmsd 6.741 +/- 1.811

RMSD against lowest energy structure for residues 12-35, 45-46, 48-48, 57-57, 61-61, 73-75

Structure Score
S_03099.pdb 2.4529
S_09659.pdb 2.9426
S_07573.pdb 2.4052
S_08106.pdb 2.7780
S_04693.pdb 2.7288
S_04657.pdb 3.0668
S_05868.pdb 2.8060
S_09879.pdb 4.5098
S_08100.pdb 4.6547
S_03644.pdb 2.4911
Averaged Ca-rmsd 3.084 +/- 0.818

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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