Table II.
Quality of backbone reconstruction and optimization tested on 30 high resolution native structures.
Protein PDB code | PULCHRA backbone RMSD before optimization (A) | PULCHRA backbone RMSD after optimization (A) | DSSP energy change during backbone optimization (kcal/mol) |
---|---|---|---|
1ejgA | 0.470 | 0.466 | −14.3 |
1et1A | 0.310 | 0.337 | −12.6 |
1f9yA | 0.461 | 0.462 | −16.2 |
1g66A | 0.543 | 0.535 | −3.3 |
1ix9A | 0.494 | 0.490 | −11.3 |
1iqzA | 0.471 | 0.469 | −21.4 |
1iuaA | 0.551 | 0.525 | −9.8 |
1lugA | 0.518 | 0.511 | −61.2 |
1m40A | 0.475 | 0.474 | −11.4 |
1mc2A | 0.544 | 0.546 | −9.3 |
1mj5A | 0.585 | 0.580 | −10.9 |
1n4wA | 0.493 | 0.487 | −36.8 |
1n55A | 0.409 | 0.404 | −52.0 |
1nwzA | 0.485 | 0.467 | −62.3 |
1ok0A | 0.494 | 0.468 | −47.5 |
1p9gA | 0.535 | 0.516 | −65.4 |
1pjxA | 0.579 | 0.567 | −56.5 |
1pq7A | 0.543 | 0.536 | −45.5 |
1r6jA | 0.465 | 0.464 | −39.8 |
1rtqA | 0.435 | 0.429 | −4.33 |
1ucsA | 0.574 | 0.546 | −39.5 |
1us0A | 0.401 | 0.406 | −39.8 |
1v6pA | 0.578 | 0.553 | −50.2 |
1vyrA | 0.507 | 0.505 | −50.2 |
1w0nA | 0.542 | 0.538 | −24.9 |
1wy3A | 0.663 | 0.663 | −28.2 |
1x8qA | 0.458 | 0.445 | −21.0 |
2bt9C | 0.627 | 0.624 | −13.9 |
2pvbA | 0.388 | 0.381 | −8.1 |
7a3hA | 0.428 | 0.424 | −17.0 |
| |||
Average: | 0.501 | 0.494 | −29.4 |