Biological Magnetic Resonance Data Bank

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Results for submission The solution structure of the monomeric species of the C terminal domain of the CA protein of HIV-1.

BMRB ID: 15137

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Graph for The solution structure of the monomeric species of the C terminal domain of the CA protein of HIV-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_01792

RMSD against lowest energy structure for all residues

Structure Score
S_01792.pdb 7.8560
S_08810.pdb 6.4404
S_03213.pdb 6.1730
S_04450.pdb 5.3077
S_05441.pdb 8.7651
S_08934.pdb 5.8319
S_06824.pdb 7.8844
S_09469.pdb 5.7563
S_07886.pdb 5.8976
S_06604.pdb 6.2207
Averaged Ca-rmsd 6.613 +/- 1.142

RMSD against lowest energy structure for residues 34-62, 65-65, 67-75

Structure Score
S_01792.pdb 4.0431
S_08810.pdb 2.9071
S_03213.pdb 2.0510
S_04450.pdb 2.0289
S_05441.pdb 4.2611
S_08934.pdb 2.4071
S_06824.pdb 2.0430
S_09469.pdb 2.4992
S_07886.pdb 3.5000
S_06604.pdb 2.3466
Averaged Ca-rmsd 2.809 +/- 0.841

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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