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Results for submission 1H, 13C and 15N Backbone Resonance Assignments of the Nonphosphorylated CFTR Regulatory Region.

BMRB ID: 15336

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Graph for 1H, 13C and 15N Backbone Resonance Assignments of the Nonphosphorylated CFTR Regulatory Region

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_05189

RMSD against lowest energy structure for all residues

Structure Score
S_05189.pdb 11.5799
S_06675.pdb 16.5674
S_08696.pdb 15.9488
S_04493.pdb 15.1048
S_04107.pdb 16.8585
S_02216.pdb 16.3219
S_01982.pdb 16.0268
S_08273.pdb 15.3689
S_07267.pdb 16.9456
S_03700.pdb 14.7051
Averaged Ca-rmsd 15.543 +/- 1.577

RMSD against lowest energy structure for residues 18-21

Structure Score
S_05189.pdb 2.5772
S_06675.pdb 2.8630
S_08696.pdb 2.6470
S_04493.pdb 3.0718
S_04107.pdb 3.1034
S_02216.pdb 2.5949
S_01982.pdb 2.6341
S_08273.pdb 2.9139
S_07267.pdb 2.8869
S_03700.pdb 2.8386
Averaged Ca-rmsd 2.813 +/- 0.192

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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