rcsb / symmetry-benchmark

Benchmarks for testing the symmetry package
3 stars 8 forks source link

4 Helical Bundles review #58

Closed lafita closed 8 years ago

lafita commented 8 years ago

4 helical bundles are not consistently annotated in the benchmark. The criteria is as follows:

Zig-zag (crossed) connectivity:
                                  12
                                  34

Parallel connectivity:
                                  12
                                  43
sbliven commented 8 years ago

We inspected all benchmark members of folds annotated as 4-helical bundles (a.24, a.26, and f.21), as well as some additional folds identified manually as potentially having 4-helix bundles (a.29, a.47, a.48, a.60, and f.36).

An initial assignment was made based on topology:

D2:   H2:
1-2   1-2
  |    /
4-3   3-4

Cases that significantly diverged from four parallel helices underwent further consideration. Reasons for diverging from the standard D2/H2 assignments are given as comments.

Domain SCOP Call Comments
d1ea8a_ a.24.1.1 D2
d1rmva_ a.24.5.1 C1 not enough coverage by bundle
d1hy5a_ a.24.11.1 C1 too kinked
d2ga0e_ a.24.12.0 D2
d1wola_ a.24.16.0 C1 not parallel
d1v74b_ a.24.20.1 D2
d3g50b_ a.24.22.1 D2
d1ug7a_ a.24.24.1 D2
d2ap3a1 a.24.27.1 D2
d2j9wa_ a.24.28.0 D2
d2p61a1 a.24.29.1 D2 but poor angles
d1x91a_ a.29.6.1 D2
d1v9va1 a.29.10.1 D2
d2fefc1 a.29.11.1 D2
d3dbyh2 a.29.13.1 D2
d2gscb_ a.29.16.1 D2
d1bg1a1 a.47.1.1 H2
d1s2xa_ a.47.3.1 C1 fourth helix too kinked to align
d3pmra_ a.47.4.0 C1 wildly different lengths
d1t98a2 a.47.6.1 C1 N-term is too short, inconsistent orientation
d2okua1 a.48.5.1 H2
d1a0pa1 a.60.9.1 C2 secondary axis is off-center, helix lengths match in C2
d3ezea1 a.60.10.1 C2 off-center
d1ryka_ a.60.11.1 C1 not parallel
d3ci0k1 a.60.16.1 C1 too short for a bundle
d1y5ic1 f.21.3.1 C1 not 4-helix, despite description
d1oedd_ f.36.1.1 D2
sbliven commented 8 years ago

This issue supersedes #51 #52 #53 #54 #55 #56 #57