Table 3. Pocket residues as detected by METAPOCKET compared to those found experimentally.
| Sub-pocket | NS2B |
NS3 |
||
|---|---|---|---|---|
| Detected | Expected | Detected | Expected | |
| S1 | - | - | D129 | D129 |
| - | - | F130 | F130 | |
| - | - | K131 | K131 | |
| - | - | P132 | P132 | |
| - | - | G133 | G133 | |
| - | - | T134 | T134 | |
| - | - | S135 | S135 | |
| - | - | Y150 | Y150 | |
| - | - | Y161 | Y161 | |
| S2 | - | D80 | - | V72 |
| D81 | D81 | - | K73 | |
| - | G82 | - | K74 | |
| T83 | T83 | D75 | D75 | |
| S3 | M84 | M84 | - | - |
| - | K85 | - | - | |
| - | I86 | - | - | |
| S4 | - | - | V154 | V154 |
| - | - | V155 | V155 | |
| N/A* | - | - | Q35 | - |
| - | - | V36 | - | |
| - | - | W50 | - | |
| - | - | H51 | - | |
| - | - | G151 | - | |
| - | - | N152 | - | |
| - | - | G153 | - | |
Detected pockets were identified by METAPOCKET, as described in Methods. * Detected residues which may be important to ligand binding, but were not previously reported in literature.