Table 1.
Summary of statistics for restraints for NESG target protein CcR55 (PDB id 2jqn), a monomeric structure, and NESG target protein HR3057H (PDB id 2kw6), a homodimeric structure. “Original” refers to the restraint sets as it would have been deposited in PDB prior to the introduction of PDBStat into our standard deposition process, and “Clean” summarizes the restraints lists regenerated using the Clean NOE utility of PDBStat.
| SUMMARY OF RESTRAINTS | ||||
|---|---|---|---|---|
| PDB id 2jqn | PDB id 2kw6 | |||
| Original | Clean | Original | Clean | |
| Total number of restraints | 1676 | 1200 | 1901 | 1831 |
| Intra-residue restraints (i=j) | 628 | 221 | 628 | 560 |
| Sequential constraints (i-j)=1 | 428 | 360 | 443 | 441 |
| Backbone-backbone | 162 | 119 | 84 | 82 |
| Backbone-side chain | 32 | 23 | 50 | 50 |
| Side chain-side chain | 234 | 218 | 309 | 309 |
| Medium range restraints 1 < (i-j) < 5 | 244 | 244 | 447 | 447 |
| Backbone-backbone | 6 4 | 64 | 104 | 104 |
| Backbone-side chain | 53 | 53 | 164 | 164 |
| Side chain-side chain | 127 | 127 | 179 | 179 |
| Long range restraints (i-j) ≥ 5 | 376 | 376 | 383 | 383 |
| Total hydrogen bond restraints | 66 | 66 | 0 | 0 |
| Long range H-bond restraints (i-j) ≥ 5 | 38 | 38 | 0 | 0 |
| Disulfide restraints | 0 | 0 | 0 | 0 |
| Intrachain restraints | 1742 | 1266 | 1671 | 1601 |
| Interchain restraints | 0 | 0 | 230 | 230 |
| Ambiguous restraints | 0 | 0 | 0 | 0 |