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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 Chimer between Spc-SH3 and P41.

BMRB ID: 15013

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Graph for Chimer between Spc-SH3 and P41

Lowest energy structure: S_05711

RMSD against lowest energy structure for all residues

StructureScore
S_05711.pdb2.8544
S_02508.pdb1.9376
S_08226.pdb3.7160
S_07303.pdb2.1501
S_04666.pdb4.2199
S_06149.pdb2.4830
S_03050.pdb2.2924
S_00714.pdb3.3700
S_03396.pdb3.3236
S_03242.pdb3.6711
Averaged Ca-rmsd3.002 +/- 0.770

RMSD against lowest energy structure for residues 4-73

StructureScore
S_05711.pdb2.1825
S_02508.pdb0.8597
S_08226.pdb1.6179
S_07303.pdb1.5006
S_04666.pdb2.3741
S_06149.pdb1.7207
S_03050.pdb1.1035
S_00714.pdb2.0193
S_03396.pdb1.8122
S_03242.pdb2.4341
Averaged Ca-rmsd1.762 +/- 0.518

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