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 Structure of the N-WASP EVH1 domain in complex with an extended WIP peptide.

BMRB ID: 15020

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Graph for Structure of the N-WASP EVH1 domain in complex with an extended WIP peptide

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_01753

RMSD against lowest energy structure for all residues

Structure Score
S_01753.pdb 7.2449
S_03040.pdb 10.1058
S_06640.pdb 8.7511
S_06125.pdb 10.7748
S_08962.pdb 10.8633
S_00066.pdb 8.8874
S_06449.pdb 9.3232
S_01714.pdb 10.8603
S_05750.pdb 9.0549
S_03903.pdb 10.2949
Averaged Ca-rmsd 9.616 +/- 1.176

RMSD against lowest energy structure for residues 49-69, 76-150

Structure Score
S_01753.pdb 2.3082
S_03040.pdb 2.7167
S_06640.pdb 2.0141
S_06125.pdb 3.9468
S_08962.pdb 1.7559
S_00066.pdb 2.0983
S_06449.pdb 2.6513
S_01714.pdb 5.6043
S_05750.pdb 1.8802
S_03903.pdb 2.9056
Averaged Ca-rmsd 2.788 +/- 1.179

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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