Table 1.
Structures representative of protein metafolds
| PDB ID code | Exp structure | No. of disulfide bridges | Atoms in simulation |
|---|---|---|---|
| 1AGI | X-ray | 3 | 23,403/22,734 |
| 1BFG | X-ray | 0 | 25,212/24,509 |
| 1BJ7 | X-ray | 2 | 19,371/18,518 |
| 1BSN | NMR | 0 | 33,753/32,948 |
| 1CHN | X-ray | 0 | 18,022/17,282 |
| 1CQY | X-ray | 0 | 28,856/28,310 |
| 1CSP | X-ray | 0 | 13,293/12,949 |
| 1CZT | X-ray | 1 | 31,072/30,167 |
| 1EMR | X-ray | 0 | 32,808/31,885 |
| 1FAS | X-ray | 4 | 15,709/15,398 |
| 1FVQ | NMR | 0 | 16,322/15,921 |
| 1GND | X-ray | 0 | 68,647/66,213 |
| 1I6F | NMR | 4 | 15,837/15,552 |
| 1IL6 | NMR | 4 | 27,464/26,486 |
| 1J5D | NMR | 0 | 23,184/22,682 |
| 1JLI | NMR | 1 | 36,307/35,615 |
| 1K40 | X-ray | 0 | 37,686/36,883 |
| 1KTE | X-ray | 1 | 19,490/18,869 |
| 1KXA | X-ray | 0 | 24,969/24,113 |
| 1LIT | X-ray | 3 | 26,289/25,651 |
| 1LKI | X-ray | 3 | 33,388/32,403 |
| 1NSO | NMR | 0 | 31,774/31,134 |
| 1OOI | X-ray | 3 | 21,754/21,057 |
| 1OPC | X-ray | 0 | 22,833/22,245 |
| 1PDO | X-ray | 0 | 30,947/30,199 |
| 1PHT | X-ray | 0 | 19,995/19,554 |
| 1SDF | NMR | 2 | 32,579/32,168 |
| 1SP2 | NMR | 0 | 17,093/16,930 |
| 1SUR | X-ray | 0 | 35,945/34,691 |
| 2HVM | X-ray | 3 | 32,956/31,550 |
For each protein, we quote the number of disulfide bridges, the origin of experimental structure, and the number of atoms in the simulation box (A, C, O/G). PDB, Protein Data Bank.