Table 1.
Query | Dali −q time (min) | Dali −q P | Dali −q Z AUC | Dali −l time (min) | Dali −l Z AUC | SSM Q AUC | SCOP T | SCOP class |
---|---|---|---|---|---|---|---|---|
1c52 | 14 | 241 | 0.885 | 297 | 0.822 | 0.674 | 219 | a.3.1. |
1sfxA | 12 | 401 | 0.757 | 357 | 0.733 | 0.386 | 331 | a.4.5. |
1azu | 14 | 529 | 0.967 | 369 | 0.969 | 0.516 | 289 | b.6.1. |
1wk2A | 7 | 49 | 0.800 | 201 | 0.966 | 0.197 | 60 | b.122.1 |
3be7A | 51 | 542 | 0.990 | 1861 | 0.968 | 0.843 | 135 | c.1.9. |
1qlwA | 30 | 414 | 0.908 | 1211 | 0.897 | 0.576 | 456 | c.69.1. |
2baa | 18 | 726 | 0.693 | 486 | 0.354 | 0.025 | 979 | d.2.1 |
1wotA | 13 | 500 | 0.558 | 251 | 0.642 | 0.009 | 179 | d.218.1 |
AUC, area under the curve of reliability (TP/P) versus coverage (TP/T), where Ts (‘true’) are members of the same SCOP (Murzin et al.1995) superfamily as the query structure, Ps (‘positive’) are the top n matches from the ranked list for varying n and TPs (‘true positive’) are the intersection of sets T and P. Only PDB entries classified in SCOP v.1.73 were evaluated and each PDB entry was counted once. SSM server http://www.ebi.ac.uk/msd-srv/ssm/cgi-bin/ssmserver; (Krissinel and Henrick, 2004) parameters were set to 10 : 10 and highest precision. The DaliLite search was performed using the –list (Dali –l) or –quick option (Dali –q with MAX_HITS=1000) and reporting matches with Z>2.