Follow-up Comment #2, sr #3127 (project relax):
Hi Edward,
The Lipari-Szabo order parameter calculations went to plan and the results
mostly look like they should. I am quite curious about sudden drops in the S2
values (see attached "S2 only Eddie"; relevant columns highlighted in red). I
have a structure that has very short secondary structure elements separated by
intervening loops. For example, beta hairpin followed by a transient helix.
The excursions in S2 correspond to these loops. Do these sudden drops in S2
make sense in the context of what I have described? Or are they unusual in
your experience?
I guess this all comes about since I have not done any model-free analysis
before and don't have a feel for what these data should look like given a
particular structure. By looking at a Google image search my data seem okay,
but I'd rather have an expert opinion from you.
Cheers,
Soumya
(file #20505)
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[sr #3127] Opposite S2 values to expected