Table 3.
Difficult structure pairs with good alignments found just by one method
Categorya | Total | SSAP | STRUCTAL | DALI | LSQMAN | CE | SSM |
---|---|---|---|---|---|---|---|
All α–All α (same CAT)b | 369(8) | 0 | 103 (5) | 2 (0) | 212 (2) | 0 | 52 (1) |
All α–All β | 61 | 0 | 57 | 0 | 2 | 0 | 2 |
All α–Mixed α/β | 610 | 0 | 275 | 0 | 243 | 0 | 92 |
All α–Few Secondary Structure | 13 | 0 | 7 | 1 | 4 | 0 | 1 |
All β–All β (same CAT)b | 37 (5) | 1 (0) | 24 (4) | 1 (0) | 10 (1) | 0 | 1 (0) |
All β–Mixed α/β | 318 | 0 | 260 | 1 | 39 | 0 | 18 |
All β–Few Secondary Structure | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Mixed α/β–Mixed α/β (same CAT)b | 292 (8) | 0 | 130 (4) | 1 (0) | 111 (1) | 0 | 50 (3) |
Mixed α/β–Few Secondary Structure | 4 | 0 | 2 | 0 | 2 | 0 | 0 |
Few Secondary Structure–Few Secondary Structure | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
Total | 1704 | 1 | 858 | 6 | 623 | 0 | 216 |
Good alignments are defined as those where one of the methods finds a good alignment (SAS<4 Å and matches more than 35 residues), while all other methods find bad alignments (SAS>6 Å for any length of match). We also tested other definitions of difficult alignments (e.g. longer matches, or less stringent SAS values) and found a similar distribution amongst the different methods (data not shown).
We categorize the pairs of aligned structures by their class (C) classifier.
We list in parenthesis the number of difficult alignments found with structures of the same CAT classification.