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 Chimer between Spc-SH3 and P41.

BMRB ID: 15013

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Graph for Chimer between Spc-SH3 and P41

This run appears to have converged (based on the residues marked non-flexible). That means that the results may be a meaningful prediction of the real structure. Please validate the structure against your experimental data.

Lowest energy structure: S_05711

RMSD against lowest energy structure for all residues

Structure Score
S_05711.pdb 2.8544
S_02508.pdb 1.9376
S_08226.pdb 3.7160
S_07303.pdb 2.1501
S_04666.pdb 4.2199
S_06149.pdb 2.4830
S_03050.pdb 2.2924
S_00714.pdb 3.3700
S_03396.pdb 3.3236
S_03242.pdb 3.6711
Averaged Ca-rmsd 3.002 +/- 0.770

RMSD against lowest energy structure for residues 4-73

Structure Score
S_05711.pdb 2.1825
S_02508.pdb 0.8597
S_08226.pdb 1.6179
S_07303.pdb 1.5006
S_04666.pdb 2.3741
S_06149.pdb 1.7207
S_03050.pdb 1.1035
S_00714.pdb 2.0193
S_03396.pdb 1.8122
S_03242.pdb 2.4341
Averaged Ca-rmsd 1.762 +/- 0.518

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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