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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

Lowest energy structure: S_01753

RMSD against lowest energy structure for all residues

StructureScore
S_01753.pdb7.2449
S_03040.pdb10.1058
S_06640.pdb8.7511
S_06125.pdb10.7748
S_08962.pdb10.8633
S_00066.pdb8.8874
S_06449.pdb9.3232
S_01714.pdb10.8603
S_05750.pdb9.0549
S_03903.pdb10.2949
Averaged Ca-rmsd9.616 +/- 1.176

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

StructureScore
S_01753.pdb2.3082
S_03040.pdb2.7167
S_06640.pdb2.0141
S_06125.pdb3.9468
S_08962.pdb1.7559
S_00066.pdb2.0983
S_06449.pdb2.6513
S_01714.pdb5.6043
S_05750.pdb1.8802
S_03903.pdb2.9056
Averaged Ca-rmsd2.788 +/- 1.179

This entry was calculated with Rosetta version 3.5 and version 3.2 of the CS-Rosetta Toolbox.

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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