Dear ChimeraX Support Team,
I am currently using ChimeraX (v1.10.1) to study whether certain amino acid residues are surface-exposed or buried in my protein structures (WT and mutants from AlphaFold/NeuroSnap).
To assess this, I measured solvent accessible surface area (SASA) with the following commands:
measure sasa #1
measure sasa #1:92
measure sasa #1:562
This gives me the following SASA values (in Ų):
-
WT Ala92: 216.4 Ų
-
WT Gly562: 189.0 Ų
When I compare these to published maximum ASA (MaxASA) values from Tien et al. 2013 (probe radius 1.4 Å):
-
Ala (max ASA) = 129 Ų
-
Gly (max ASA) = 104 Ų
I get relative solvent accessibility (RSA) values greater than 1:
Since RSA should not exceed 1, I believe I am mismatching ChimeraX’s calculation settings with the MaxASA reference set.
So my questions are:
-
What radii model and probe radius does
measure sasa in ChimeraX use by default?
-
Is there a way in ChimeraX to directly assign per-residue SASA attributes and normalize them internally (so RSA values remain ≤1)?
-
If ChimeraX defaults differ from published MaxASA tables, would you recommend reporting only SASA values, or generating my own MaxASA reference values with ChimeraX for consistency?
I would be very grateful for any guidance or documentation pointers so I can report values in a way that is consistent and interpretable.
Best,
Kazi Sayeeda
PhD Candidate
Dept. of Cell and Developmental Biology (Krendel Lab)
SUNY Upstate Medical University
Syracuse, NY 13210