Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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CS-Rosetta Results Access

Results for submission Caenopore-5 -Pro cis conformer.

BMRB ID: 15330

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Graph for Caenopore-5 -Pro cis conformer

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_07765

RMSD against lowest energy structure for all residues

Structure Score
S_07765.pdb 5.9666
S_08791.pdb 4.2489
S_08447.pdb 4.2048
S_07705.pdb 4.8370
S_09233.pdb 4.1550
S_02975.pdb 6.3812
S_00646.pdb 3.9328
S_00193.pdb 5.8101
S_09396.pdb 4.3441
S_03567.pdb 3.7576
Averaged Ca-rmsd 4.764 +/- 0.942

RMSD against lowest energy structure for residues 19-99

Structure Score
S_07765.pdb 2.4947
S_08791.pdb 1.3096
S_08447.pdb 1.8016
S_07705.pdb 2.7445
S_09233.pdb 1.3324
S_02975.pdb 2.6073
S_00646.pdb 1.7186
S_00193.pdb 1.8344
S_09396.pdb 1.7191
S_03567.pdb 1.8249
Averaged Ca-rmsd 1.939 +/- 0.506

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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