LiveBench SCOP assessment

by Julian Gough


Results based on SCOP 1.61

SCOP assessment of templates for the 106 targets in LiveBench 4. See also the same evaluation applied to the CAFASP3/CASP5 targets.

RankIncludedServerSensitivitySpecifity12345678910
1106dali6964.856576567676767676768
21063dhit6855.951535355555656586161
3993ds55552.647525253535354545454
3106shgu5952.248484949545454545656
3106pcons25552.052525252525252525252
3106fugu35851.448485050535353535353
3106fugsa5851.448485050535353535353
3973ds35551.047474949525252545454
4106burnham5449.840485050505252525252
4106samt995249.641494951515151515151
5106orfeus5748.527485050515152525252
5106inbgu5848.445454747484851515151
6106orfblast5147.227474848485051515151
7106fugue4946.142424344464849494949
8106superfamily4844.843454545454545454545
9106foldfit5943.036363743434647474748
9106mgenthreader5342.713414144474848484849
10106pdbblast4641.036374141414242424444
11106genthreader5033.49253535373737384041
12104blast205.12245566777

The sensitivity score is the total number of true positives. The specificity score is the average of the 10 columns. Each column shows the number of true positivies before the 'n'th false positive, where 'n' is the column number.
Of the 106 targets 79 had existing templates, 33 were completely novel. Of these 33 novel structures, 7 had a similar structure come out around the same time, but I have assumed that it was afterwards.
The full data is available in a flat file here.

Also alternative tables which classify at the fold or superfamily level, and can include the targets split into easy and hard sets as per LiveBench.

SetSuperfamilyFold
easytabletable
hardtabletable
alltabletable

Declaration

This is a proposal for an assessment of the LiveBench servers to be carried out shortly after the current LiveBench round is completed. This is intended to supplement the assessment already included in LiveBench and provide a different perspective which some people might be interested in. The conditions are laid out openly in advance (below) so that comments and criticisms can be collected and addressed.

General procedure

At the close of the current LiveBench, data will be collected directly from the LiveBench authors. The models will all be judged as 'true' or 'false' based entirely on the choice of template. The SCOP classification of the targets will be obtained directly from Alexey Murzin, and used to judge the models based on the criteria below. An automtaic script will be used to do this which will not be written until after the completion of the LiveBench round, but this script will adhere to the rules laid out here, and be made openly available for inspection.

Rules

The exact ruleset used is available here.
  • A single template will be assumed for every model.
  • The template used for each model will be the one currently displayed on the LiveBench results page (however that is chosen).
  • All SCOP domains in the template and the target will be compared.
  • If any pair of domains in the target and the template belong to the same SCOP superfamily, the model is judged as 'true'.
  • If any pair of domains in the target and the template belong to the same SCOP fold, but no pair belongs to the same superfamily, the model is judged as ambiguous and is neither 'true' nor 'false'.
  • If no pair of domains in the target and the template belong to the same SCOP fold, the model is judged as 'false'.
  • Documented exceptions to the rules will be allowed where there is a note in SCOP indicating a true relationship above the superfamily level. The major ones are listed in the following three points in the list.
  • If any pair of domains in the target and the template belong to the TIM-barrel fold the model is judged as 'true'.
  • If any pair of domains in the target and the template belong to any of the Rossmann folds (NAD(P), FAD/NAD(P), or Nucleotide binding domains) the model is judged as 'true'.
  • The families in the Membrane all-alpha superfamily are actually superfamilies and are treated accordingly. If the template and the target belong to different families within the Membrane all-alpha superfamily, the model is judged as neither 'true' nor 'false'.
  • Limitations

    It is accepted that like any other comparison there are limitations. This comparison only provides a different perspective from the other LiveBench comparisons.
  • There is a small chance that an incorrect model will be judged 'true' when built from a template which by chance contains a SCOP domain in the same superfamily as the target, although the model does not use that part of the template. As this is unlikely to happen often by chance, it is not expected to affect the results.
  • Models which are built from more than one template will only have one template considered. Since a binary (true/false) decision is being made, the judging of one template does not affect the decision unless there are other templates used which would be 'true' when that which is displayed is 'false'.
  • Methods using models which make modifications to the backbone of the template will not be as relevant for this comparison.
  • Feedback

    Comments and criticisms are strongly encouraged. Please send e-mail to Julian Gough (mailto below).
    Julian Gough
    Last modified: Fri Dec 20 02:28:06 PST 2002