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. Author manuscript; available in PMC: 2009 Jun 8.
Published in final edited form as: J Comput Chem. 2008 Jul 15;29(9):1460–1465. doi: 10.1002/jcc.20906

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