Bax Group DC Server - Dipolar Wave Fitting for RDCs in Helix

PDB Input PDB Input Input PDB file of the protein structure. Atom names in the PDB file must exactly match the names used in the dipolar coupling input. Example: ubiq.pdb Add hydrogen atoms to PDB Select this option to add hydrogen atoms to the heavy atoms in the input PDB, the original hydrogen atoms will be replaced if they are present in the PDB. The hydrogen atom addition is performed by using the DYNAMO program, see here for more about how the hydrogen atoms are added. Add hydrogens to PDB
Dipolar Coupling Inputs Dipolar Coupling Inputs [At Least 2 Files Required!] Dipolar couplings measured from samples in different medium should be stored in separated input files, and uploaded by using the Files Selection option on the left (press and hold the Ctrl key to select multiple files in Windows or the Command key in MacOS) Example Dipolar Coupling Files: dObsA.tab (Neutral Bicelle Sample) \| dObsB.tab (Charged Bicelle Sample) \| dObsP.tab (Pf1 Sample) \| dObsS.tab (Squalamine Sample). [More Info]
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About The Alignment Tensors Orthogonalization procedure will: calculate alignment tensor of each medium by performing a standard SVD fit of the couplings from the given medium relative to the input PDB perform a SVD to orthogonalize above fitted alignment tensors generate up to 5 sets of orthogonalized couplings (store in output files dOrth1.tab, dOrth2.tab ...) [Note: orthogonalized couplings are only generated for couplings with a complete set of experimental input couplings from all media] Reference: J.L. Lorieau, A.S. Maltsev, J.M. Louis, and A. Bax: Modulating alignment of membrane proteins in liquid-crystalline and oriented gel media by changing the size and charge of phospholipid bicelles. J. Biomol. NMR. 55, 369-377 (2013). (DOI) (pubmed)