BMRB Logo

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

This page made possible by:

CHTC Logo OSG Logo CS-Rosetta Logo

CS-Rosetta Results Access

Results for submission Solution Structure of an M-1 Conotoxin with a novel disulfide linkage.

BMRB ID: 15195

These results are interactive!

Clicking on an image will enlarge it. Clicking again will open it in a Jmol viewer. Click the downward pointing arrow to shrink an image. You can also enlarge the graph and make it interactive by clicking twice. Hold down the right mouse button and drag to zoom in on the interactive graph. Left click on a structure in the graph to pull it up in the Jmol viewer. This enables you to explore any structure in the Jmol viewer.

Graph for Solution Structure of an M-1 Conotoxin with a novel disulfide linkage

Lowest energy structure: S_07014

RMSD against lowest energy structure for all residues

StructureScore
S_07014.pdb3.8725
S_04357.pdb1.6477
S_02535.pdb1.6428
S_06939.pdb2.9066
S_02959.pdb2.8979
S_00017.pdb1.9341
S_07645.pdb1.6305
S_06412.pdb1.7219
S_09096.pdb1.9101
S_02533.pdb2.2175
Averaged Ca-rmsd2.238 +/- 0.752

RMSD against lowest energy structure for residues 2-16

StructureScore
S_07014.pdb3.7984
S_04357.pdb1.5899
S_02535.pdb1.5995
S_06939.pdb2.9217
S_02959.pdb2.9114
S_00017.pdb1.8047
S_07645.pdb1.6763
S_06412.pdb1.7673
S_09096.pdb1.8646
S_02533.pdb2.2032
Averaged Ca-rmsd2.214 +/- 0.749

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

To have this entry show up in your list of submitted entries please click here.

Please contact us if you encounter any issues.

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