AlphaFold pLDDT and expected distance error: Difference between revisions

Revision as of 17:36, 18 August 2022

AlphaFold provides two measures of coordinate error. The residue-by-residue pLDDT value stored directly in the coordinate file, and the pairwise residue distance error stored in a separate file.

pLDDT

The pLDDT value is assigned to each individual residue and stored in coordinate files instead of temperature factors. Different from temperature factors, high values indicate high confidence in atomic positions, and low values low confidence. This value is named pLDDT because it predicts the so-called LDDT value (Local Distance Difference Test, ^[1]), a way to characterize the difference of two related conformations without aligning the structures.

Expected distance error

Alphafold also predicts the expected error in the distance of two residues. Thus, this is a 2-dimensional (pairwise) data set. The plot of the data is shown below. On the right, you can see the mapped by color on the second residue. It becomes apparent that the distance between residue 1000 and residues in the N-terminal part of the protein are ill-defined. However, if you show the expected errors to residue 400 (by using the radio buttons below), the N-terminal domain is well-defined in isolation. It is the relative domain orientation that is not well predicted.

Residue

Residues on the apparent domain interface

↑ Mariani V, Biasini M, Barbato A, Schwede T. lDDT: a local superposition-free score for comparing protein structures and models using distance difference tests. Bioinformatics. 2013 Nov 1;29(21):2722-8. doi: 10.1093/bioinformatics/btt473., Epub 2013 Aug 27. PMID:23986568 doi:http://dx.doi.org/10.1093/bioinformatics/btt473

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

Karsten Theis, Eric Martz

[1] Mariani V, Biasini M, Barbato A, Schwede T. lDDT: a local superposition-free score for comparing protein structures and models using distance difference tests. Bioinformatics. 2013 Nov 1;29(21):2722-8. doi: 10.1093/bioinformatics/btt473., Epub 2013 Aug 27. PMID:23986568 doi:http://dx.doi.org/10.1093/bioinformatics/btt473

[1]

@@ Line 11: / Line 11: @@
    <jmolRadioGroup>
      <item>
-       <script>{*.ca}.property_t = [11, 8, 5, 5, 5, 5, 5, 4, 4, 4, 5, 4, 4, 4, 5, 5, 4, 4, 4, 5, 5, 5, 5, 6, 6, 5, 6, 6, 6, 6, 6, 6, 6, 6, 7, 6, 6, 6, 6, 7, 6, 6, 6, 6, 6, 6, 6, 6, 5, 6, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 5, 5, 6, 5, 5, 5, 6, 5, 5, 6, 6, 5, 5, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 3, 3, 3, 4, 4, 4, 4, 5, 4, 5, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 4, 4, 5, 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 5, 4, 4, 4, 4, 4, 4, 3, 3, 3, 3, 3, 3, 3, 2, 2, 3, 3, 3, 3, 4, 3, 3, 3, 2, 2, 2, 3, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 3, 3, 4, 3, 4, 4, 4, 4, 4, 5, 4, 4, 4, 4, 3, 3, 3, 3, 3, 3, 3, 2, 2, 2, 2, 2, 2, 2, 3, 2, 2, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 5, 5, 4, 3, 3, 3, 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 5, 4, 4, 4, 5, 4, 4, 4, 4, 3, 4, 4, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 5, 5, 6, 6, 7, 7, 7, 6, 6, 6, 6, 6, 6, 6, 6, 6, 5, 5, 5, 5, 5, 5, 5, 4, 5, 5, 5, 4, 4, 4, 4, 4, 4, 4, 4, 5, 5, 5, 5, 5, 6, 6, 6, 5, 5, 6, 5, 5, 5, 6, 5, 5, 5, 5, 5, 4, 4, 4, 4, 4, 3, 3, 3, 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 2, 2, 2, 2, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 1, 1, 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, 1, 2, 2, 1, 1, 2, 2, 1, 2, 2, 2, 2, 1, 1, 1, 1, 1, 0, 1, 1, 1, 2, 2, 2, 2, 2, 1, 1, 2, 1, 1, 1, 2, 1, 1, 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 1, 1, 2, 2, 1, 1, 2, 2, 1, 2, 2, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 2, 3, 3, 2, 2, 3, 3, 2, 3, 3, 3, 3, 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 4, 4, 5, 4, 5, 4, 4, 4, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 2, 3, 3, 3, 3, 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 3, 3, 3, 3, 2, 3, 3, 3, 2, 3, 3, 2, 2, 3, 3, 2, 2, 2, 2, 1, 1, 1, 2, 2, 3, 3, 4, 4, 3, 4, 4, 4, 4, 5, 5, 5, 4, 4, 4, 4, 4, 4, 4, 4, 3, 4, 4, 5, 5, 5, 5, 5, 5, 5, 5, 4, 5, 6, 5, 5, 5, 6, 6, 6, 8, 10, 13, 14, 17, 19, 22, 19, 21, 23, 23, 23, 25, 25, 27, 26, 25, 26, 26, 27, 27, 24, 25, 24, 25, 23, 24, 23, 23, 21, 21, 23, 25, 26, 26, 24, 27, 27, 26, 26, 26, 27, 27, 28, 27, 26, 28, 28, 28, 28, 28, 28, 26, 27, 26, 26, 26, 24, 27, 25, 27, 25, 25, 25, 23, 24, 23, 23, 23, 24, 21, 22, 21, 22, 21, 22, 21, 22, 24, 21, 22, 25, 25, 23, 25, 25, 24, 25, 26, 27, 27, 27, 27, 28, 27, 28, 28, 28, 28, 29, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 27, 27, 27, 28, 27, 28, 27, 28, 27, 27, 24, 26, 26, 24, 24, 27, 27, 26, 26, 27, 27, 26, 27, 27, 28, 28, 28, 28, 27, 28, 28, 28, 27, 28, 26, 29, 28, 27, 28, 28, 27, 28, 29, 28, 28, 28, 27, 29, 28, 28, 27, 27, 26, 26, 27, 26, 26, 28, 26, 28, 27, 28, 27, 27, 27, 27, 27, 28, 28, 28, 29, 28, 28, 28, 27, 29, 28, 28, 28, 27, 27, 25, 26, 26, 26, 26, 26, 26, 25, 27, 27, 27, 28, 28, 25, 26, 28, 28, 27, 28, 28, 28, 28, 27, 27, 27, 26, 25, 24, 26, 27, 25, 26, 27, 27, 27, 28, 28, 28, 28, 29, 29, 27, 28, 28, 28, 27, 27, 28, 28, 27, 26, 27, 27, 27, 26, 26, 26, 25, 27, 27, 27, 27, 27, 26, 27, 27, 27, 25, 27, 27, 27, 28, 28, 27, 29, 27, 28, 28, 28, 27, 28, 28, 29, 27, 29, 28, 30, 29, 29, 29, 29, 28, 29, 29, 29, 29, 29, 29, 28, 29, 29, 29, 30, 29, 29, 28, 29, 29, 29, 28, 28, 28, 28, 27, 26, 27, 25, 25, 25, 25, 24, 24, 25, 24, 24, 26, 25, 25, 25, 25, 26, 25, 24, 24, 23, 22, 22, 22, 24, 25, 24, 24, 25, 25, 25, 27, 26, 27, 26, 26, 28, 27, 28, 28, 28, 29, 29, 29, 28, 29, 29, 29, 29, 29, 28, 29, 29, 29, 29, 30, 29, 28, 29, 28, 29, 28, 28, 27, 28, 29, 28, 29, 29, 28, 29, 29, 28, 29, 28, 28, 29, 29, 29, 29, 28, 29, 27, 27, 28, 28, 28, 27, 27, 27, 27, 28, 27, 29, 28, 27, 28, 28, 28, 29, 29, 29, 29, 29, 29, 29, 29, 28, 29, 29, 29, 29, 28, 28, 28, 28, 29, 28, 28, 28, 29, 29, 29, 27, 28, 29, 29, 28, 27, 28, 28, 28, 27, 28, 27, 27, 27, 27, 27, 27, 26, 27, 27, 25, 26, 28, 26, 25, 26, 28, 26, 26, 28, 28, 26, 28, 29, 28, 27, 29, 29, 28, 29, 29, 30, 29, 29, 29, 29, 29, 29, 29, 29, 28, 29, 29, 27, 27, 29, 27, 26, 27, 26, 28, 28, 28, 28, 27, 26, 27, 25, 27, 27, 26, 26, 28, 27, 26, 28, 27, 28, 28, 27, 28, 29, 29, 29, 28, 29, 29, 28, 29, 29, 28, 29, 29, 29, 29, 28, 29, 29, 28, 28, 28, 28, 28, 29, 28, 27, 26, 27, 26, 27, 27, 28, 29, 28, 29, 28, 29, 28, 27, 27, 26, 28, 26, 27, 27, 27, 28, 29, 28, 28, 28, 29, 28, 29, 29, 29, 28, 29, 29, 28, 29, 29, 30, 29, 29, 29, 29, 28, 28, 28, 28, 27, 29, 28, 28, 28, 27, 28, 27]
+       <script>{*.ca}.property_t = [11, 8, 5, 5, 5, 5, 5, 4, 4, 4, 5, 4, 4, 4, 5, 5, 4, 4, 4, 5, 5, 5, 5, 6, 6, 5, 6, 6, 6, 6, 6, 6, 6, 6, 7, 6, 6, 6, 6, 7, 6, 6, 6, 6, 6, 6, 6, 6, 5, 6, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 6, 6, 5, 5, 6, 5, 5, 5, 6, 5, 5, 6, 6, 5, 5, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 3, 3, 3, 4, 4, 4, 4, 5, 4, 5, 4, 4, 4, 4, 4, 4, 4, 4, 4, 4, 5, 4, 4, 5, 5, 5, 5, 5, 5, 5, 6, 6, 6, 6, 6, 6, 6, 6, 6, 5, 4, 4, 4, 4, 4, 4, 3, 3, 3, 3, 3, 3, 3, 2, 2, 3, 3, 3, 3, 4, 3, 3, 3, 2, 2, 2, 3, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 3, 3, 4, 3, 4, 4, 4, 4, 4, 5, 4, 4, 4, 4, 3, 3, 3, 3, 3, 3, 3, 2, 2, 2, 2, 2, 2, 2, 3, 2, 2, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 5, 5, 4, 3, 3, 3, 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 5, 4, 4, 4, 5, 4, 4, 4, 4, 3, 4, 4, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 5, 5, 6, 6, 7, 7, 7, 6, 6, 6, 6, 6, 6, 6, 6, 6, 5, 5, 5, 5, 5, 5, 5, 4, 5, 5, 5, 4, 4, 4, 4, 4, 4, 4, 4, 5, 5, 5, 5, 5, 6, 6, 6, 5, 5, 6, 5, 5, 5, 6, 5, 5, 5, 5, 5, 4, 4, 4, 4, 4, 3, 3, 3, 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 2, 2, 2, 2, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 1, 1, 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, 1, 2, 2, 1, 1, 2, 2, 1, 2, 2, 2, 2, 1, 1, 1, 1, 1, 0, 1, 1, 1, 2, 2, 2, 2, 2, 1, 1, 2, 1, 1, 1, 2, 1, 1, 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, 1, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 1, 1, 2, 2, 1, 1, 2, 2, 1, 2, 2, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 2, 3, 3, 2, 2, 3, 3, 2, 3, 3, 3, 3, 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 4, 4, 5, 4, 5, 4, 4, 4, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 3, 2, 3, 3, 3, 3, 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 4, 4, 4, 4, 4, 4, 4, 4, 3, 3, 3, 3, 2, 3, 3, 3, 2, 3, 3, 2, 2, 3, 3, 2, 2, 2, 2, 1, 1, 1, 2, 2, 3, 3, 4, 4, 3, 4, 4, 4, 4, 5, 5, 5, 4, 4, 4, 4, 4, 4, 4, 4, 3, 4, 4, 5, 5, 5, 5, 5, 5, 5, 5, 4, 5, 6, 5, 5, 5, 6, 6, 6, 8, 10, 13, 14, 17, 19, 22, 19, 21, 23, 23, 23, 25, 25, 27, 26, 25, 26, 26, 27, 27, 24, 25, 24, 25, 23, 24, 23, 23, 21, 21, 23, 25, 26, 26, 24, 27, 27, 26, 26, 26, 27, 27, 28, 27, 26, 28, 28, 28, 28, 28, 28, 26, 27, 26, 26, 26, 24, 27, 25, 27, 25, 25, 25, 23, 24, 23, 23, 23, 24, 21, 22, 21, 22, 21, 22, 21, 22, 24, 21, 22, 25, 25, 23, 25, 25, 24, 25, 26, 27, 27, 27, 27, 28, 27, 28, 28, 28, 28, 29, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 27, 27, 27, 28, 27, 28, 27, 28, 27, 27, 24, 26, 26, 24, 24, 27, 27, 26, 26, 27, 27, 26, 27, 27, 28, 28, 28, 28, 27, 28, 28, 28, 27, 28, 26, 29, 28, 27, 28, 28, 27, 28, 29, 28, 28, 28, 27, 29, 28, 28, 27, 27, 26, 26, 27, 26, 26, 28, 26, 28, 27, 28, 27, 27, 27, 27, 27, 28, 28, 28, 29, 28, 28, 28, 27, 29, 28, 28, 28, 27, 27, 25, 26, 26, 26, 26, 26, 26, 25, 27, 27, 27, 28, 28, 25, 26, 28, 28, 27, 28, 28, 28, 28, 27, 27, 27, 26, 25, 24, 26, 27, 25, 26, 27, 27, 27, 28, 28, 28, 28, 29, 29, 27, 28, 28, 28, 27, 27, 28, 28, 27, 26, 27, 27, 27, 26, 26, 26, 25, 27, 27, 27, 27, 27, 26, 27, 27, 27, 25, 27, 27, 27, 28, 28, 27, 29, 27, 28, 28, 28, 27, 28, 28, 29, 27, 29, 28, 30, 29, 29, 29, 29, 28, 29, 29, 29, 29, 29, 29, 28, 29, 29, 29, 30, 29, 29, 28, 29, 29, 29, 28, 28, 28, 28, 27, 26, 27, 25, 25, 25, 25, 24, 24, 25, 24, 24, 26, 25, 25, 25, 25, 26, 25, 24, 24, 23, 22, 22, 22, 24, 25, 24, 24, 25, 25, 25, 27, 26, 27, 26, 26, 28, 27, 28, 28, 28, 29, 29, 29, 28, 29, 29, 29, 29, 29, 28, 29, 29, 29, 29, 30, 29, 28, 29, 28, 29, 28, 28, 27, 28, 29, 28, 29, 29, 28, 29, 29, 28, 29, 28, 28, 29, 29, 29, 29, 28, 29, 27, 27, 28, 28, 28, 27, 27, 27, 27, 28, 27, 29, 28, 27, 28, 28, 28, 29, 29, 29, 29, 29, 29, 29, 29, 28, 29, 29, 29, 29, 28, 28, 28, 28, 29, 28, 28, 28, 29, 29, 29, 27, 28, 29, 29, 28, 27, 28, 28, 28, 27, 28, 27, 27, 27, 27, 27, 27, 26, 27, 27, 25, 26, 28, 26, 25, 26, 28, 26, 26, 28, 28, 26, 28, 29, 28, 27, 29, 29, 28, 29, 29, 30, 29, 29, 29, 29, 29, 29, 29, 29, 28, 29, 29, 27, 27, 29, 27, 26, 27, 26, 28, 28, 28, 28, 27, 26, 27, 25, 27, 27, 26, 26, 28, 27, 26, 28, 27, 28, 28, 27, 28, 29, 29, 29, 28, 29, 29, 28, 29, 29, 28, 29, 29, 29, 29, 28, 29, 29, 28, 28, 28, 28, 28, 29, 28, 27, 26, 27, 26, 27, 27, 28, 29, 28, 29, 28, 29, 28, 27, 27, 26, 28, 26, 27, 27, 27, 28, 29, 28, 28, 28, 29, 28, 29, 29, 29, 28, 29, 29, 28, 29, 29, 30, 29, 29, 29, 29, 28, 28, 28, 28, 27, 29, 28, 28, 28, 27, 28, 27];
-select alpha; color property_t; spacefill off; label off
+select alpha; color property_t; spacefill off; label off;
-set hoverlabel "residue %r vs 400: %[property_t] Å"
+set hoverlabel "residue %r vs 400: %[property_t] Å";
-select 400 and alpha; spacefill on; color yellow
+select 400 and alpha; spacefill on; color yellow;
 </script>
        <text>400</text>
@@ Line 20: / Line 20: @@
      </item>
      <item>
-       <script>{*.ca}.property_t = [20, 18, 17, 18, 16, 17, 19, 18, 17, 18, 18, 17, 17, 18, 18, 20, 18, 19, 17, 18, 18, 20, 20, 20, 21, 20, 19, 21, 20, 20, 20, 19, 20, 20, 20, 20, 21, 20, 21, 21, 21, 19, 20, 20, 18, 20, 20, 20, 18, 18, 19, 18, 20, 18, 19, 19, 19, 19, 21, 21, 19, 19, 21, 20, 19, 20, 19, 20, 20, 20, 19, 19, 19, 21, 18, 19, 18, 18, 18, 17, 18, 19, 18, 17, 17, 17, 18, 18, 17, 18, 18, 17, 19, 18, 17, 19, 17, 18, 18, 18, 18, 18, 18, 19, 18, 19, 19, 20, 19, 19, 20, 20, 20, 20, 21, 19, 20, 22, 21, 20, 21, 22, 20, 20, 21, 19, 20, 18, 20, 17, 17, 18, 15, 16, 16, 16, 17, 15, 13, 11, 10, 12, 12, 14, 15, 17, 16, 13, 12, 11, 13, 14, 14, 15, 13, 13, 13, 15, 15, 14, 14, 16, 15, 15, 17, 17, 18, 17, 18, 17, 19, 17, 18, 16, 18, 18, 16, 15, 15, 15, 16, 16, 14, 13, 11, 10, 10, 13, 13, 11, 13, 14, 14, 13, 15, 16, 14, 14, 16, 16, 14, 17, 17, 15, 18, 16, 17, 16, 15, 16, 14, 14, 13, 15, 13, 15, 15, 16, 13, 12, 12, 12, 12, 10, 11, 9, 10, 13, 11, 9, 10, 10, 10, 9, 12, 11, 11, 13, 12, 14, 15, 15, 15, 15, 13, 15, 14, 17, 15, 17, 17, 18, 16, 17, 17, 14, 13, 15, 14, 12, 13, 15, 13, 11, 13, 12, 15, 15, 16, 14, 17, 16, 18, 19, 19, 18, 18, 19, 19, 21, 20, 19, 18, 19, 20, 20, 18, 18, 19, 20, 19, 18, 19, 20, 18, 17, 19, 18, 17, 17, 18, 17, 17, 16, 16, 17, 18, 17, 18, 16, 17, 19, 20, 20, 20, 19, 20, 21, 20, 20, 19, 20, 19, 21, 18, 17, 18, 18, 18, 19, 19, 16, 15, 16, 13, 13, 12, 11, 11, 9, 10, 7, 8, 8, 9, 9, 9, 8, 9, 8, 10, 10, 9, 8, 7, 6, 6, 4, 4, 3, 4, 5, 5, 6, 8, 7, 7, 7, 8, 8, 7, 8, 11, 10, 10, 10, 10, 10, 9, 9, 8, 10, 8, 8, 8, 6, 6, 6, 7, 5, 6, 6, 6, 4, 4, 6, 6, 5, 5, 6, 6, 9, 8, 9, 11, 12, 11, 11, 10, 11, 12, 10, 10, 11, 11, 8, 7, 10, 9, 8, 9, 10, 10, 9, 7, 7, 8, 8, 7, 9, 7, 6, 6, 5, 9, 10, 10, 11, 10, 10, 9, 11, 11, 10, 9, 11, 9, 7, 8, 9, 9, 7, 7, 8, 5, 9, 10, 10, 11, 12, 11, 13, 13, 13, 13, 12, 13, 12, 12, 11, 13, 11, 11, 12, 11, 11, 10, 9, 9, 9, 6, 10, 9, 11, 11, 11, 13, 12, 12, 11, 11, 11, 12, 12, 12, 13, 10, 12, 12, 12, 11, 12, 13, 12, 13, 12, 13, 12, 15, 14, 13, 13, 13, 12, 12, 11, 11, 9, 9, 7, 8, 5, 8, 9, 6, 9, 8, 9, 9, 10, 12, 11, 12, 12, 12, 11, 12, 10, 8, 10, 11, 8, 9, 11, 10, 8, 11, 11, 11, 11, 12, 12, 11, 11, 12, 9, 8, 7, 6, 5, 5, 5, 6, 6, 6, 7, 8, 8, 8, 8, 8, 7, 8, 6, 7, 8, 4, 5, 6, 6, 5, 6, 6, 6, 6, 8, 7, 6, 7, 9, 7, 7, 7, 5, 5, 4, 3, 2, 1, 0, 1, 3, 4, 4, 7, 7, 6, 5, 6, 8, 10, 7, 6, 10, 8, 6, 9, 11, 8, 8, 10, 12, 13, 13, 10, 11, 11, 11, 11, 11, 9, 9, 10, 7, 8, 9, 8, 7, 8, 10, 12, 15, 14, 17, 18, 19, 19, 19, 21, 21, 21, 23, 23, 23, 26, 25, 23, 25, 27, 26, 22, 25, 25, 23, 22, 23, 23, 21, 21, 21, 22, 23, 24, 25, 25, 27, 27, 25, 27, 26, 27, 26, 29, 28, 27, 28, 29, 29, 29, 29, 27, 28, 27, 26, 27, 25, 26, 26, 23, 24, 26, 24, 24, 24, 24, 23, 23, 23, 22, 20, 22, 20, 23, 23, 24, 23, 22, 23, 21, 22, 23, 24, 24, 23, 27, 26, 25, 26, 27, 27, 27, 28, 28, 28, 29, 29, 29, 29, 29, 30, 30, 29, 29, 29, 29, 28, 29, 29, 28, 29, 27, 28, 28, 28, 28, 29, 29, 29, 28, 27, 27, 27, 26, 26, 26, 26, 26, 26, 25, 27, 27, 25, 26, 28, 27, 28, 27, 29, 27, 28, 29, 28, 30, 29, 28, 29, 29, 29, 28, 29, 30, 29, 28, 30, 30, 29, 30, 29, 29, 29, 28, 27, 28, 27, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 29, 28, 28, 29, 29, 29, 29, 30, 29, 29, 29, 30, 29, 28, 28, 27, 28, 27, 28, 27, 28, 28, 26, 28, 27, 27, 27, 28, 28, 28, 28, 28, 29, 29, 29, 29, 29, 28, 28, 27, 27, 27, 25, 26, 26, 25, 25, 27, 26, 26, 27, 27, 27, 28, 28, 29, 28, 29, 28, 28, 29, 29, 28, 28, 29, 29, 28, 27, 29, 29, 27, 28, 28, 28, 26, 28, 29, 27, 28, 28, 29, 28, 29, 27, 28, 28, 29, 29, 29, 29, 29, 30, 29, 28, 30, 29, 29, 29, 28, 29, 29, 29, 30, 30, 30, 29, 30, 29, 29, 30, 29, 30, 30, 30, 30, 30, 30, 30, 29, 30, 29, 29, 28, 29, 29, 29, 27, 28, 28, 26, 26, 26, 25, 26, 25, 26, 26, 26, 26, 24, 25, 26, 27, 27, 26, 26, 27, 26, 26, 25, 22, 22, 19, 22, 24, 24, 24, 24, 26, 25, 25, 26, 26, 25, 26, 26, 27, 27, 26, 28, 28, 28, 28, 29, 29, 29, 29, 28, 29, 28, 30, 29, 29, 29, 29, 29, 30, 30, 29, 29, 29, 30, 29, 27, 29, 29, 30, 29, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 28, 29, 28, 28, 29, 27, 29, 27, 28, 27, 28, 29, 26, 28, 28, 26, 29, 28, 29, 28, 28, 29, 30, 30, 30, 30, 29, 30, 29, 30, 30, 30, 29, 29, 29, 28, 29, 28, 29, 28, 29, 29, 29, 27, 28, 29, 28, 27, 28, 29, 27, 27, 29, 29, 28, 27, 25, 25, 27, 27, 25, 26, 27, 26, 24, 26, 27, 25, 26, 27, 27, 26, 28, 27, 27, 26, 28, 28, 28, 28, 30, 29, 29, 29, 30, 30, 30, 30, 30, 29, 30, 30, 28, 29, 29, 28, 27, 28, 28, 28, 27, 27, 26, 27, 28, 29, 29, 27, 28, 27, 27, 28, 27, 28, 26, 27, 28, 27, 28, 26, 29, 28, 28, 29, 29, 28, 29, 30, 30, 29, 29, 29, 30, 30, 29, 29, 29, 29, 29, 29, 29, 29, 27, 28, 28, 28, 28, 28, 26, 27, 28, 26, 28, 28, 29, 28, 29, 29, 29, 28, 27, 28, 25, 27, 27, 25, 28, 25, 28, 29, 29, 30, 30, 29, 29, 30, 29, 29, 30, 30, 30, 29, 30, 30, 30, 30, 30, 30, 29, 29, 29, 29, 28, 28, 26, 27, 29, 28, 30, 29, 29, 30]
+       <script>{*.ca}.property_t = [20, 18, 17, 18, 16, 17, 19, 18, 17, 18, 18, 17, 17, 18, 18, 20, 18, 19, 17, 18, 18, 20, 20, 20, 21, 20, 19, 21, 20, 20, 20, 19, 20, 20, 20, 20, 21, 20, 21, 21, 21, 19, 20, 20, 18, 20, 20, 20, 18, 18, 19, 18, 20, 18, 19, 19, 19, 19, 21, 21, 19, 19, 21, 20, 19, 20, 19, 20, 20, 20, 19, 19, 19, 21, 18, 19, 18, 18, 18, 17, 18, 19, 18, 17, 17, 17, 18, 18, 17, 18, 18, 17, 19, 18, 17, 19, 17, 18, 18, 18, 18, 18, 18, 19, 18, 19, 19, 20, 19, 19, 20, 20, 20, 20, 21, 19, 20, 22, 21, 20, 21, 22, 20, 20, 21, 19, 20, 18, 20, 17, 17, 18, 15, 16, 16, 16, 17, 15, 13, 11, 10, 12, 12, 14, 15, 17, 16, 13, 12, 11, 13, 14, 14, 15, 13, 13, 13, 15, 15, 14, 14, 16, 15, 15, 17, 17, 18, 17, 18, 17, 19, 17, 18, 16, 18, 18, 16, 15, 15, 15, 16, 16, 14, 13, 11, 10, 10, 13, 13, 11, 13, 14, 14, 13, 15, 16, 14, 14, 16, 16, 14, 17, 17, 15, 18, 16, 17, 16, 15, 16, 14, 14, 13, 15, 13, 15, 15, 16, 13, 12, 12, 12, 12, 10, 11, 9, 10, 13, 11, 9, 10, 10, 10, 9, 12, 11, 11, 13, 12, 14, 15, 15, 15, 15, 13, 15, 14, 17, 15, 17, 17, 18, 16, 17, 17, 14, 13, 15, 14, 12, 13, 15, 13, 11, 13, 12, 15, 15, 16, 14, 17, 16, 18, 19, 19, 18, 18, 19, 19, 21, 20, 19, 18, 19, 20, 20, 18, 18, 19, 20, 19, 18, 19, 20, 18, 17, 19, 18, 17, 17, 18, 17, 17, 16, 16, 17, 18, 17, 18, 16, 17, 19, 20, 20, 20, 19, 20, 21, 20, 20, 19, 20, 19, 21, 18, 17, 18, 18, 18, 19, 19, 16, 15, 16, 13, 13, 12, 11, 11, 9, 10, 7, 8, 8, 9, 9, 9, 8, 9, 8, 10, 10, 9, 8, 7, 6, 6, 4, 4, 3, 4, 5, 5, 6, 8, 7, 7, 7, 8, 8, 7, 8, 11, 10, 10, 10, 10, 10, 9, 9, 8, 10, 8, 8, 8, 6, 6, 6, 7, 5, 6, 6, 6, 4, 4, 6, 6, 5, 5, 6, 6, 9, 8, 9, 11, 12, 11, 11, 10, 11, 12, 10, 10, 11, 11, 8, 7, 10, 9, 8, 9, 10, 10, 9, 7, 7, 8, 8, 7, 9, 7, 6, 6, 5, 9, 10, 10, 11, 10, 10, 9, 11, 11, 10, 9, 11, 9, 7, 8, 9, 9, 7, 7, 8, 5, 9, 10, 10, 11, 12, 11, 13, 13, 13, 13, 12, 13, 12, 12, 11, 13, 11, 11, 12, 11, 11, 10, 9, 9, 9, 6, 10, 9, 11, 11, 11, 13, 12, 12, 11, 11, 11, 12, 12, 12, 13, 10, 12, 12, 12, 11, 12, 13, 12, 13, 12, 13, 12, 15, 14, 13, 13, 13, 12, 12, 11, 11, 9, 9, 7, 8, 5, 8, 9, 6, 9, 8, 9, 9, 10, 12, 11, 12, 12, 12, 11, 12, 10, 8, 10, 11, 8, 9, 11, 10, 8, 11, 11, 11, 11, 12, 12, 11, 11, 12, 9, 8, 7, 6, 5, 5, 5, 6, 6, 6, 7, 8, 8, 8, 8, 8, 7, 8, 6, 7, 8, 4, 5, 6, 6, 5, 6, 6, 6, 6, 8, 7, 6, 7, 9, 7, 7, 7, 5, 5, 4, 3, 2, 1, 0, 1, 3, 4, 4, 7, 7, 6, 5, 6, 8, 10, 7, 6, 10, 8, 6, 9, 11, 8, 8, 10, 12, 13, 13, 10, 11, 11, 11, 11, 11, 9, 9, 10, 7, 8, 9, 8, 7, 8, 10, 12, 15, 14, 17, 18, 19, 19, 19, 21, 21, 21, 23, 23, 23, 26, 25, 23, 25, 27, 26, 22, 25, 25, 23, 22, 23, 23, 21, 21, 21, 22, 23, 24, 25, 25, 27, 27, 25, 27, 26, 27, 26, 29, 28, 27, 28, 29, 29, 29, 29, 27, 28, 27, 26, 27, 25, 26, 26, 23, 24, 26, 24, 24, 24, 24, 23, 23, 23, 22, 20, 22, 20, 23, 23, 24, 23, 22, 23, 21, 22, 23, 24, 24, 23, 27, 26, 25, 26, 27, 27, 27, 28, 28, 28, 29, 29, 29, 29, 29, 30, 30, 29, 29, 29, 29, 28, 29, 29, 28, 29, 27, 28, 28, 28, 28, 29, 29, 29, 28, 27, 27, 27, 26, 26, 26, 26, 26, 26, 25, 27, 27, 25, 26, 28, 27, 28, 27, 29, 27, 28, 29, 28, 30, 29, 28, 29, 29, 29, 28, 29, 30, 29, 28, 30, 30, 29, 30, 29, 29, 29, 28, 27, 28, 27, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 28, 29, 28, 28, 29, 29, 29, 29, 30, 29, 29, 29, 30, 29, 28, 28, 27, 28, 27, 28, 27, 28, 28, 26, 28, 27, 27, 27, 28, 28, 28, 28, 28, 29, 29, 29, 29, 29, 28, 28, 27, 27, 27, 25, 26, 26, 25, 25, 27, 26, 26, 27, 27, 27, 28, 28, 29, 28, 29, 28, 28, 29, 29, 28, 28, 29, 29, 28, 27, 29, 29, 27, 28, 28, 28, 26, 28, 29, 27, 28, 28, 29, 28, 29, 27, 28, 28, 29, 29, 29, 29, 29, 30, 29, 28, 30, 29, 29, 29, 28, 29, 29, 29, 30, 30, 30, 29, 30, 29, 29, 30, 29, 30, 30, 30, 30, 30, 30, 30, 29, 30, 29, 29, 28, 29, 29, 29, 27, 28, 28, 26, 26, 26, 25, 26, 25, 26, 26, 26, 26, 24, 25, 26, 27, 27, 26, 26, 27, 26, 26, 25, 22, 22, 19, 22, 24, 24, 24, 24, 26, 25, 25, 26, 26, 25, 26, 26, 27, 27, 26, 28, 28, 28, 28, 29, 29, 29, 29, 28, 29, 28, 30, 29, 29, 29, 29, 29, 30, 30, 29, 29, 29, 30, 29, 27, 29, 29, 30, 29, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 28, 29, 28, 28, 29, 27, 29, 27, 28, 27, 28, 29, 26, 28, 28, 26, 29, 28, 29, 28, 28, 29, 30, 30, 30, 30, 29, 30, 29, 30, 30, 30, 29, 29, 29, 28, 29, 28, 29, 28, 29, 29, 29, 27, 28, 29, 28, 27, 28, 29, 27, 27, 29, 29, 28, 27, 25, 25, 27, 27, 25, 26, 27, 26, 24, 26, 27, 25, 26, 27, 27, 26, 28, 27, 27, 26, 28, 28, 28, 28, 30, 29, 29, 29, 30, 30, 30, 30, 30, 29, 30, 30, 28, 29, 29, 28, 27, 28, 28, 28, 27, 27, 26, 27, 28, 29, 29, 27, 28, 27, 27, 28, 27, 28, 26, 27, 28, 27, 28, 26, 29, 28, 28, 29, 29, 28, 29, 30, 30, 29, 29, 29, 30, 30, 29, 29, 29, 29, 29, 29, 29, 29, 27, 28, 28, 28, 28, 28, 26, 27, 28, 26, 28, 28, 29, 28, 29, 29, 29, 28, 27, 28, 25, 27, 27, 25, 28, 25, 28, 29, 29, 30, 30, 29, 29, 30, 29, 29, 30, 30, 30, 29, 30, 30, 30, 30, 30, 30, 29, 29, 29, 29, 28, 28, 26, 27, 29, 28, 30, 29, 29, 30];
-select alpha; color property_t; spacefill off; label off
+select alpha; color property_t; spacefill off; label off;
-set hoverlabel "residue %r vs 600: %[property_t] Å"
+set hoverlabel "residue %r vs 600: %[property_t] Å";
-select 600 and alpha; spacefill on; color yellow
+select 600 and alpha; spacefill on; color yellow;
 </script>
        <text>600</text>
@@ Line 30: / Line 30: @@
      <item>
        <script>{*.ca}.property_t = [29, 30, 29, 30, 29, 30, 30, 29, 30, 30, 29, 29, 30, 30, 29, 29, 29, 29, 28, 28, 29, 28, 29, 28, 28, 29, 29, 28, 29, 30, 29, 30, 29, 29, 29, 30, 29, 30, 30, 30, 30, 30, 30, 29, 30, 29, 28, 27, 29, 28, 27, 28, 28, 29, 30, 30, 29, 30, 30, 30, 30, 30, 30, 30, 30, 30, 29, 29, 30, 30, 29, 30, 30, 29, 29, 29, 29, 29, 29, 28, 29, 29, 28, 28, 28, 29, 28, 30, 28, 28, 29, 28, 27, 28, 28, 30, 29, 30, 30, 29, 30, 30, 30, 29, 30, 30, 29, 29, 30, 30, 29, 30, 30, 30, 30, 30, 30, 30, 30, 29, 30, 29, 30, 30, 29, 29, 29, 29, 29, 29, 29, 28, 28, 28, 26, 28, 27, 27, 27, 27, 25, 26, 27, 28, 29, 27, 28, 28, 27, 28, 28, 28, 28, 29, 28, 28, 29, 29, 29, 29, 29, 29, 29, 30, 30, 29, 29, 30, 30, 29, 30, 30, 30, 29, 29, 29, 29, 28, 28, 27, 27, 25, 25, 26, 26, 25, 27, 28, 28, 28, 28, 28, 28, 28, 29, 29, 29, 30, 30, 29, 30, 30, 30, 29, 30, 30, 30, 29, 28, 28, 27, 27, 26, 26, 24, 26, 26, 23, 24, 24, 22, 24, 27, 26, 24, 24, 22, 25, 27, 26, 26, 28, 27, 27, 28, 29, 28, 27, 28, 28, 29, 29, 28, 28, 25, 26, 25, 25, 23, 27, 26, 22, 23, 25, 24, 22, 24, 26, 24, 23, 27, 28, 26, 28, 28, 30, 29, 29, 27, 28, 27, 27, 27, 25, 27, 27, 24, 26, 25, 25, 26, 26, 26, 27, 27, 26, 28, 29, 28, 26, 27, 28, 27, 26, 27, 29, 26, 28, 29, 29, 26, 29, 27, 29, 29, 29, 28, 28, 28, 25, 26, 28, 27, 28, 29, 29, 28, 28, 29, 29, 28, 29, 29, 29, 29, 29, 29, 29, 29, 30, 29, 30, 29, 29, 29, 28, 29, 30, 29, 28, 28, 27, 26, 25, 24, 23, 26, 25, 26, 28, 28, 29, 27, 26, 26, 29, 26, 26, 27, 27, 28, 27, 27, 27, 29, 28, 29, 28, 29, 28, 28, 28, 29, 28, 28, 29, 29, 28, 28, 27, 25, 28, 27, 26, 27, 26, 26, 24, 26, 26, 25, 24, 25, 26, 26, 24, 26, 26, 26, 27, 28, 29, 28, 29, 28, 28, 29, 28, 30, 29, 29, 29, 28, 28, 28, 27, 27, 27, 27, 26, 24, 26, 26, 24, 24, 25, 25, 22, 25, 26, 26, 27, 27, 28, 29, 29, 29, 30, 30, 29, 29, 29, 29, 28, 28, 28, 27, 26, 26, 27, 26, 27, 27, 28, 27, 29, 29, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 29, 29, 29, 29, 28, 28, 27, 28, 28, 29, 28, 29, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 29, 30, 30, 30, 29, 30, 30, 30, 29, 30, 30, 29, 30, 30, 30, 29, 29, 29, 29, 30, 29, 28, 29, 28, 30, 28, 29, 29, 29, 30, 30, 30, 30, 30, 30, 30, 30, 30, 30, 29, 30, 30, 29, 30, 30, 29, 30, 29, 30, 29, 30, 30, 29, 29, 30, 30, 29, 30, 29, 29, 28, 29, 28, 29, 28, 28, 28, 29, 30, 28, 29, 29, 30, 29, 29, 28, 27, 27, 29, 27, 26, 28, 29, 26, 26, 29, 29, 27, 27, 30, 28, 27, 29, 29, 29, 29, 28, 27, 28, 27, 28, 26, 25, 25, 27, 26, 27, 23, 27, 26, 25, 27, 28, 27, 29, 28, 28, 28, 29, 28, 29, 29, 29, 29, 30, 29, 30, 30, 29, 29, 30, 29, 29, 30, 29, 29, 29, 29, 28, 28, 28, 28, 28, 27, 26, 25, 23, 24, 22, 20, 18, 18, 18, 17, 16, 16, 15, 17, 14, 14, 15, 14, 13, 12, 14, 12, 11, 10, 11, 11, 9, 9, 10, 12, 11, 12, 13, 13, 13, 12, 13, 12, 13, 13, 14, 14, 12, 12, 13, 12, 13, 11, 12, 10, 11, 12, 10, 9, 12, 10, 9, 10, 9, 10, 9, 9, 9, 9, 10, 10, 9, 10, 12, 10, 10, 11, 10, 8, 9, 8, 8, 8, 7, 8, 8, 8, 8, 9, 7, 8, 9, 9, 10, 9, 10, 10, 11, 11, 12, 10, 11, 12, 11, 11, 7, 5, 4, 3, 2, 2, 2, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, 2, 2, 2, 1, 2, 2, 1, 1, 1, 1, 0, 1, 1, 1, 2, 2, 3, 3, 3, 3, 2, 2, 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 2, 3, 2, 2, 1, 2, 1, 1, 1, 2, 2, 3, 3, 2, 3, 3, 3, 3, 2, 3, 3, 3, 2, 3, 3, 2, 3, 3, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 2, 2, 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, 3, 3, 2, 3, 3, 2, 2, 3, 3, 3, 3, 4, 3, 3, 3, 4, 4, 3, 5, 5, 4, 5, 6, 7, 7, 8, 8, 9, 8, 9, 10, 9, 10, 11, 11, 11, 10, 11, 10, 10, 10, 10, 11, 11, 13, 13, 12, 11, 12, 11, 11, 11, 10, 10, 11, 11, 9, 9, 9, 9, 8, 8, 8, 8, 9, 9, 9, 8, 9, 9, 8, 8, 8, 9, 8, 7, 8, 7, 7, 7, 7, 8, 8, 8, 9, 9, 9, 9, 9, 10, 10, 10, 10, 9, 9, 9, 9, 9, 9, 9, 9, 9, 8, 8, 9, 8, 9, 8, 9, 10, 8, 9, 9, 9, 9, 10, 10, 8, 9, 8, 8, 8, 8, 8, 8, 8, 9, 9, 10, 10, 10, 10, 10, 10, 10, 9, 8, 9, 10, 10, 10, 10, 11, 12, 12, 11, 12, 10, 11, 10, 8, 9, 8, 8, 8, 8, 8, 9, 9, 9, 9, 10, 10, 11, 10, 10, 10, 9, 9, 9, 10, 10, 10, 11, 11, 11, 12, 12, 12, 12, 12, 11, 10, 9, 9, 9, 8, 8, 8, 7, 7, 8, 7, 7, 7, 7, 6, 7, 7, 7, 6, 7, 8, 7, 7, 7, 7, 7, 8, 6, 7, 7, 7, 7, 7, 7, 7, 6, 7, 6, 7, 8, 7, 7, 8, 8, 8, 8, 9, 9, 9, 10, 10, 10, 10, 10, 10, 10, 11, 10, 11, 11, 11, 11, 11, 11, 10, 11, 11, 10, 10, 9, 9, 9, 10, 10, 10, 10, 10, 9, 8, 7, 7, 7, 6, 7, 7, 7, 7, 6, 7, 6, 7, 7, 8, 7, 8, 8, 8, 9, 9, 9, 8, 8, 8, 8, 8, 8, 8, 8, 6, 6, 5, 6, 5, 6, 6, 7, 5, 6, 7, 7, 7, 7, 8, 8, 8, 8, 10, 10, 10, 10, 10, 10, 9, 9, 9, 8, 8, 7, 7, 8, 8, 9, 9, 9, 8, 10, 9, 8, 10, 9, 10, 9, 9, 10, 9, 9, 8, 8, 7, 7, 6, 6, 6, 7, 7, 8, 8, 9, 8, 8, 9, 9]
-select alpha; color property_t; spacefill off; label off
+select alpha; color property_t; spacefill off; label off;
-set hoverlabel "residue %r vs 800: %[property_t] Å"
+set hoverlabel "residue %r vs 800: %[property_t] Å";
-select 800 and alpha; spacefill on; color yellow
+select 800 and alpha; spacefill on; color yellow;
 </script>
        <text>800</text>
@@ Line 38: / Line 38: @@
      </item>
      <item>
-       <script>{*.ca}.property_t = [28, 28, 28, 28, 28, 28, 28, 29, 29, 28, 29, 29, 29, 29, 28, 28, 28, 29, 28, 28, 28, 28, 30, 28, 27, 29, 30, 27, 29, 29, 29, 29, 30, 29, 29, 29, 29, 29, 28, 29, 29, 29, 29, 29, 29, 30, 29, 29, 30, 28, 27, 29, 29, 28, 29, 29, 29, 29, 29, 29, 29, 29, 29, 30, 29, 29, 29, 29, 29, 29, 29, 29, 29, 28, 28, 29, 29, 28, 29, 28, 29, 29, 29, 27, 28, 29, 29, 29, 29, 29, 29, 29, 27, 29, 29, 29, 30, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 28, 29, 29, 29, 28, 29, 29, 28, 28, 28, 28, 28, 29, 29, 28, 28, 28, 28, 28, 26, 28, 27, 27, 27, 27, 26, 26, 27, 27, 27, 25, 27, 27, 27, 28, 27, 27, 28, 28, 29, 28, 29, 29, 27, 29, 29, 29, 28, 29, 29, 29, 29, 29, 28, 29, 29, 28, 28, 27, 29, 28, 28, 28, 28, 27, 28, 27, 25, 26, 26, 25, 25, 27, 26, 26, 28, 28, 28, 28, 28, 28, 28, 29, 29, 29, 29, 29, 28, 28, 28, 28, 28, 28, 28, 28, 26, 27, 25, 26, 24, 26, 25, 25, 26, 25, 25, 25, 25, 25, 25, 25, 27, 25, 26, 26, 25, 26, 27, 26, 26, 28, 28, 28, 27, 28, 28, 28, 26, 26, 27, 26, 25, 25, 24, 26, 25, 26, 26, 24, 25, 26, 23, 25, 27, 26, 26, 28, 27, 27, 28, 28, 29, 28, 27, 27, 26, 27, 27, 26, 27, 26, 25, 25, 27, 26, 27, 26, 26, 27, 26, 26, 28, 29, 29, 26, 27, 28, 28, 26, 27, 28, 27, 27, 28, 29, 27, 28, 27, 28, 29, 28, 27, 28, 28, 26, 26, 28, 29, 29, 30, 29, 28, 29, 29, 28, 28, 29, 29, 28, 29, 29, 29, 29, 29, 29, 28, 29, 29, 28, 28, 28, 28, 28, 28, 28, 27, 26, 25, 25, 25, 26, 25, 26, 27, 28, 29, 28, 27, 27, 28, 28, 27, 26, 28, 27, 28, 27, 28, 28, 29, 28, 28, 28, 29, 28, 28, 28, 29, 27, 28, 29, 29, 28, 27, 27, 26, 26, 26, 25, 25, 26, 24, 26, 26, 26, 24, 25, 26, 26, 26, 25, 26, 27, 28, 27, 28, 28, 29, 29, 28, 28, 29, 29, 29, 29, 28, 28, 28, 28, 28, 27, 26, 26, 26, 26, 23, 25, 26, 24, 25, 25, 23, 26, 24, 26, 27, 28, 27, 28, 29, 29, 29, 29, 29, 29, 29, 29, 27, 27, 28, 28, 26, 26, 26, 26, 26, 28, 27, 28, 28, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 28, 28, 29, 29, 28, 28, 28, 28, 28, 28, 26, 28, 27, 28, 28, 28, 30, 29, 30, 29, 29, 28, 29, 30, 29, 29, 29, 28, 28, 29, 29, 28, 28, 29, 29, 28, 28, 29, 29, 28, 28, 29, 28, 28, 28, 28, 27, 29, 28, 28, 28, 27, 29, 29, 29, 29, 29, 29, 29, 29, 30, 29, 29, 29, 29, 28, 28, 29, 29, 29, 29, 29, 29, 29, 28, 29, 29, 28, 28, 29, 29, 28, 29, 28, 28, 28, 28, 28, 28, 28, 28, 29, 29, 28, 29, 28, 29, 29, 29, 29, 28, 29, 29, 29, 29, 28, 27, 27, 28, 28, 27, 28, 29, 28, 27, 29, 29, 27, 28, 29, 28, 27, 27, 28, 27, 28, 28, 27, 28, 29, 28, 28, 26, 26, 28, 26, 27, 26, 28, 28, 27, 28, 27, 28, 28, 28, 28, 28, 28, 29, 29, 28, 29, 29, 29, 28, 29, 28, 28, 28, 28, 29, 28, 28, 29, 29, 28, 28, 29, 28, 28, 27, 28, 27, 26, 25, 22, 24, 23, 21, 19, 20, 20, 18, 18, 16, 16, 16, 16, 15, 15, 14, 15, 15, 15, 14, 14, 14, 14, 13, 12, 13, 13, 15, 12, 14, 13, 13, 14, 13, 13, 14, 15, 14, 15, 16, 15, 16, 16, 17, 16, 16, 16, 15, 15, 16, 15, 16, 16, 15, 14, 14, 14, 14, 14, 13, 13, 13, 13, 13, 12, 13, 13, 12, 11, 11, 12, 10, 9, 10, 10, 10, 12, 10, 10, 10, 11, 12, 11, 10, 11, 12, 12, 13, 12, 14, 14, 14, 15, 16, 15, 15, 15, 15, 15, 12, 11, 10, 9, 9, 9, 8, 8, 7, 6, 6, 6, 6, 6, 6, 5, 5, 5, 5, 6, 8, 6, 5, 7, 7, 7, 7, 8, 7, 7, 8, 8, 8, 8, 8, 8, 7, 7, 7, 6, 7, 7, 7, 7, 8, 7, 8, 8, 8, 8, 8, 8, 9, 9, 8, 9, 9, 8, 7, 7, 7, 6, 5, 6, 6, 6, 5, 5, 5, 5, 6, 6, 6, 6, 8, 7, 7, 8, 8, 8, 9, 9, 9, 8, 9, 9, 8, 7, 7, 7, 6, 6, 7, 6, 5, 6, 6, 7, 7, 6, 6, 7, 6, 6, 7, 7, 8, 7, 8, 9, 9, 8, 7, 7, 7, 7, 6, 6, 7, 7, 8, 7, 8, 9, 9, 8, 8, 8, 8, 9, 9, 10, 10, 10, 9, 10, 9, 9, 9, 9, 8, 8, 8, 8, 8, 7, 8, 8, 8, 7, 8, 8, 6, 7, 7, 7, 6, 6, 6, 5, 5, 4, 4, 4, 4, 4, 4, 4, 3, 4, 4, 3, 3, 3, 3, 3, 2, 3, 3, 2, 2, 2, 2, 2, 1, 2, 2, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 3, 2, 2, 3, 3, 3, 3, 3, 4, 4, 3, 4, 5, 4, 5, 5, 4, 4, 4, 5, 5, 4, 5, 6, 6, 6, 5, 5, 5, 5, 4, 4, 4, 4, 4, 4, 4, 3, 3, 4, 3, 3, 3, 4, 3, 3, 3, 3, 3, 3, 3, 2, 2, 2, 1, 1, 1, 0, 1, 1, 1, 1, 2, 2, 2, 2, 3, 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 4, 4, 4, 4, 5, 4, 4, 3, 3, 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 4, 4, 4, 4, 5, 4, 5, 4, 4, 4, 4, 4, 4, 3, 3, 3, 3, 3, 2, 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, 1, 2, 2, 1, 2, 2, 2, 1, 1, 2, 2, 2, 2, 3, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 2, 3, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 2, 3, 3, 3, 3, 2, 2, 2, 2, 1, 2, 2, 1, 1, 1, 1, 2, 2, 1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 2, 2, 2, 3, 2, 2, 2, 1, 1, 1, 1, 2, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 3, 4, 4, 3, 3, 4, 3, 3, 3, 3, 3, 4, 4, 4, 4, 3, 4, 4, 4, 3, 4, 4, 4, 4, 5, 4, 5, 5, 5]
+       <script>{*.ca}.property_t = [28, 28, 28, 28, 28, 28, 28, 29, 29, 28, 29, 29, 29, 29, 28, 28, 28, 29, 28, 28, 28, 28, 30, 28, 27, 29, 30, 27, 29, 29, 29, 29, 30, 29, 29, 29, 29, 29, 28, 29, 29, 29, 29, 29, 29, 30, 29, 29, 30, 28, 27, 29, 29, 28, 29, 29, 29, 29, 29, 29, 29, 29, 29, 30, 29, 29, 29, 29, 29, 29, 29, 29, 29, 28, 28, 29, 29, 28, 29, 28, 29, 29, 29, 27, 28, 29, 29, 29, 29, 29, 29, 29, 27, 29, 29, 29, 30, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 28, 29, 29, 29, 28, 29, 29, 28, 28, 28, 28, 28, 29, 29, 28, 28, 28, 28, 28, 26, 28, 27, 27, 27, 27, 26, 26, 27, 27, 27, 25, 27, 27, 27, 28, 27, 27, 28, 28, 29, 28, 29, 29, 27, 29, 29, 29, 28, 29, 29, 29, 29, 29, 28, 29, 29, 28, 28, 27, 29, 28, 28, 28, 28, 27, 28, 27, 25, 26, 26, 25, 25, 27, 26, 26, 28, 28, 28, 28, 28, 28, 28, 29, 29, 29, 29, 29, 28, 28, 28, 28, 28, 28, 28, 28, 26, 27, 25, 26, 24, 26, 25, 25, 26, 25, 25, 25, 25, 25, 25, 25, 27, 25, 26, 26, 25, 26, 27, 26, 26, 28, 28, 28, 27, 28, 28, 28, 26, 26, 27, 26, 25, 25, 24, 26, 25, 26, 26, 24, 25, 26, 23, 25, 27, 26, 26, 28, 27, 27, 28, 28, 29, 28, 27, 27, 26, 27, 27, 26, 27, 26, 25, 25, 27, 26, 27, 26, 26, 27, 26, 26, 28, 29, 29, 26, 27, 28, 28, 26, 27, 28, 27, 27, 28, 29, 27, 28, 27, 28, 29, 28, 27, 28, 28, 26, 26, 28, 29, 29, 30, 29, 28, 29, 29, 28, 28, 29, 29, 28, 29, 29, 29, 29, 29, 29, 28, 29, 29, 28, 28, 28, 28, 28, 28, 28, 27, 26, 25, 25, 25, 26, 25, 26, 27, 28, 29, 28, 27, 27, 28, 28, 27, 26, 28, 27, 28, 27, 28, 28, 29, 28, 28, 28, 29, 28, 28, 28, 29, 27, 28, 29, 29, 28, 27, 27, 26, 26, 26, 25, 25, 26, 24, 26, 26, 26, 24, 25, 26, 26, 26, 25, 26, 27, 28, 27, 28, 28, 29, 29, 28, 28, 29, 29, 29, 29, 28, 28, 28, 28, 28, 27, 26, 26, 26, 26, 23, 25, 26, 24, 25, 25, 23, 26, 24, 26, 27, 28, 27, 28, 29, 29, 29, 29, 29, 29, 29, 29, 27, 27, 28, 28, 26, 26, 26, 26, 26, 28, 27, 28, 28, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 29, 28, 28, 29, 29, 28, 28, 28, 28, 28, 28, 26, 28, 27, 28, 28, 28, 30, 29, 30, 29, 29, 28, 29, 30, 29, 29, 29, 28, 28, 29, 29, 28, 28, 29, 29, 28, 28, 29, 29, 28, 28, 29, 28, 28, 28, 28, 27, 29, 28, 28, 28, 27, 29, 29, 29, 29, 29, 29, 29, 29, 30, 29, 29, 29, 29, 28, 28, 29, 29, 29, 29, 29, 29, 29, 28, 29, 29, 28, 28, 29, 29, 28, 29, 28, 28, 28, 28, 28, 28, 28, 28, 29, 29, 28, 29, 28, 29, 29, 29, 29, 28, 29, 29, 29, 29, 28, 27, 27, 28, 28, 27, 28, 29, 28, 27, 29, 29, 27, 28, 29, 28, 27, 27, 28, 27, 28, 28, 27, 28, 29, 28, 28, 26, 26, 28, 26, 27, 26, 28, 28, 27, 28, 27, 28, 28, 28, 28, 28, 28, 29, 29, 28, 29, 29, 29, 28, 29, 28, 28, 28, 28, 29, 28, 28, 29, 29, 28, 28, 29, 28, 28, 27, 28, 27, 26, 25, 22, 24, 23, 21, 19, 20, 20, 18, 18, 16, 16, 16, 16, 15, 15, 14, 15, 15, 15, 14, 14, 14, 14, 13, 12, 13, 13, 15, 12, 14, 13, 13, 14, 13, 13, 14, 15, 14, 15, 16, 15, 16, 16, 17, 16, 16, 16, 15, 15, 16, 15, 16, 16, 15, 14, 14, 14, 14, 14, 13, 13, 13, 13, 13, 12, 13, 13, 12, 11, 11, 12, 10, 9, 10, 10, 10, 12, 10, 10, 10, 11, 12, 11, 10, 11, 12, 12, 13, 12, 14, 14, 14, 15, 16, 15, 15, 15, 15, 15, 12, 11, 10, 9, 9, 9, 8, 8, 7, 6, 6, 6, 6, 6, 6, 5, 5, 5, 5, 6, 8, 6, 5, 7, 7, 7, 7, 8, 7, 7, 8, 8, 8, 8, 8, 8, 7, 7, 7, 6, 7, 7, 7, 7, 8, 7, 8, 8, 8, 8, 8, 8, 9, 9, 8, 9, 9, 8, 7, 7, 7, 6, 5, 6, 6, 6, 5, 5, 5, 5, 6, 6, 6, 6, 8, 7, 7, 8, 8, 8, 9, 9, 9, 8, 9, 9, 8, 7, 7, 7, 6, 6, 7, 6, 5, 6, 6, 7, 7, 6, 6, 7, 6, 6, 7, 7, 8, 7, 8, 9, 9, 8, 7, 7, 7, 7, 6, 6, 7, 7, 8, 7, 8, 9, 9, 8, 8, 8, 8, 9, 9, 10, 10, 10, 9, 10, 9, 9, 9, 9, 8, 8, 8, 8, 8, 7, 8, 8, 8, 7, 8, 8, 6, 7, 7, 7, 6, 6, 6, 5, 5, 4, 4, 4, 4, 4, 4, 4, 3, 4, 4, 3, 3, 3, 3, 3, 2, 3, 3, 2, 2, 2, 2, 2, 1, 2, 2, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 2, 2, 3, 2, 2, 3, 3, 3, 3, 3, 4, 4, 3, 4, 5, 4, 5, 5, 4, 4, 4, 5, 5, 4, 5, 6, 6, 6, 5, 5, 5, 5, 4, 4, 4, 4, 4, 4, 4, 3, 3, 4, 3, 3, 3, 4, 3, 3, 3, 3, 3, 3, 3, 2, 2, 2, 1, 1, 1, 0, 1, 1, 1, 1, 2, 2, 2, 2, 3, 2, 2, 2, 1, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 4, 4, 4, 4, 5, 4, 4, 3, 3, 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, 1, 1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 4, 4, 4, 4, 5, 4, 5, 4, 4, 4, 4, 4, 4, 3, 3, 3, 3, 3, 2, 3, 2, 2, 2, 2, 2, 2, 2, 2, 2, 1, 1, 2, 2, 1, 2, 2, 2, 1, 1, 2, 2, 2, 2, 3, 2, 3, 3, 3, 3, 3, 3, 3, 3, 3, 2, 3, 2, 2, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 2, 3, 3, 3, 3, 2, 2, 2, 2, 1, 2, 2, 1, 1, 1, 1, 2, 2, 1, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 2, 2, 2, 3, 2, 2, 2, 1, 1, 1, 1, 2, 1, 2, 2, 2, 2, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, 3, 4, 4, 3, 3, 4, 3, 3, 3, 3, 3, 4, 4, 4, 4, 3, 4, 4, 4, 3, 4, 4, 4, 4, 5, 4, 5, 5, 5];
-select alpha; color property_t; spacefill off; label off
+select alpha; color property_t; spacefill off; label off;
-set hoverlabel "residue %r vs 1000: %[property_t] Å"
+set hoverlabel "residue %r vs 1000: %[property_t] Å";
-select 1000 and alpha; spacefill on; color yellow
+select 1000 and alpha; spacefill on; color yellow;
 </script>
        <text>1000</text>