BMRB

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 Solution structure of the adhesion protein Bd37 from Babesia divergens.

BMRB ID: 15158

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Graph for Solution structure of the adhesion protein Bd37 from Babesia divergens

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_08558

RMSD against lowest energy structure for all residues

Structure Score
S_08558.pdb 12.7348
S_01158.pdb 15.8464
S_09202.pdb 16.6725
S_04536.pdb 15.0037
S_01830.pdb 15.6614
S_00215.pdb 16.6017
S_09561.pdb 18.9357
S_08187.pdb 16.3502
S_04226.pdb 18.8616
S_00546.pdb 18.4736
Averaged Ca-rmsd 16.514 +/- 1.915

RMSD against lowest energy structure for residues 159-179

Structure Score
S_08558.pdb 3.1031
S_01158.pdb 2.9817
S_09202.pdb 3.0486
S_04536.pdb 3.1164
S_01830.pdb 2.8976
S_00215.pdb 2.8795
S_09561.pdb 3.1442
S_08187.pdb 2.8548
S_04226.pdb 3.1370
S_00546.pdb 2.8655
Averaged Ca-rmsd 3.003 +/- 0.120

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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