# held.tsv.gz

Preliminary. For the CATH v4.5.0 prerelease.

## What this data represents

TED v6 domains for which at least one of Contrasted or Foldseek assigns a CATH v4.4 superfamily, and the two methods do not assign the same superfamily. Agreed H assignments are in `agreed_h.tsv.gz`. Rows where Contrasted does not assign an H and Foldseek assigns a topology are in `t_seeds.tsv.gz`.

Gzipped tab-separated text. Header on line 1. One domain per row.

## How the data was generated

Each TED v6 domain was scored with Contrasted 1-NN and with a Foldseek rank-1 3Di+AA hit.

Contrasted assigns an H when 1-cosine <= 0.25, min(Lq, Lt)/max(Lq, Lt) >= 0.60, and the neighbour has a superfamily label.

Foldseek hits in the input already pass E <= 0.05, min(qTM, tTM) >= 0.50, and min(qcov, tcov) >= 0.60. Foldseek assigns an H when E <= 0.01 and the hit has a superfamily label. A labeled hit with E > 0.01 is a topology (T) assignment.

## Columns

| Column | Meaning |
|---|---|
| query_id | TED v6 domain |
| status | `disagree`, `contrasted_only`, `foldseek_only`, or `contrasted_h_foldseek_t` |
| contrasted_h | Superfamily from Contrasted. Blank when Contrasted does not assign an H |
| foldseek_h | Superfamily from Foldseek. Blank when Foldseek does not assign an H |
| contrasted_neighbor | Contrasted rank-1 neighbour |
| distance | Contrasted 1-cosine |
| length_ratio | min(Lq, Lt) / max(Lq, Lt) |
| foldseek_neighbor | Foldseek rank-1 hit. Blank when Foldseek has no hit |
| evalue | Foldseek E-value |
| qtmscore | Foldseek query TM |
| ttmscore | Foldseek target TM |
| qcov | Foldseek query coverage |
| tcov | Foldseek target coverage |

`disagree`: both methods assign an H, and the superfamilies differ. `contrasted_only`: Contrasted assigns an H and Foldseek does not. `foldseek_only`: Foldseek assigns an H and Contrasted does not. `contrasted_h_foldseek_t`: Contrasted assigns an H and Foldseek assigns a T.

## Shape

33,107,553 data rows.

| status | Rows |
|---|---:|
| contrasted_only | 17,899,739 |
| foldseek_only | 11,309,601 |
| contrasted_h_foldseek_t | 3,115,558 |
| disagree | 782,655 |