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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 I.

Comparison of side chains reconstruction quality between PULCHRA, SCWRL and SCATD.

Protein PDB code Resolution (Å) Length (AA) All-atom RMSD (starting from a native backbone)
PULCHRA using Cα only PULCHRA using Cα + CM SCWRL SCATD

1ejgA 0.54 46 0.948 0.766 0.862 1.377
1et1A 0.90 34 1.803 0.838 1.675 1.765
1f9yA 0.89 158 1.655 0.995 1.152 1.311
1g66A 0.90 207 1.350 1.008 0.910 0.914
1ix9A 0.90 205 1.647 1.087 1.170 1.328
1iqzA 0.92 81 1.378 0.806 1.060 1.038
1iuaA 0.80 83 1.303 0.952 0.918 0.965
1lugA 0.95 259 1.615 1.120 1.109 1.226
1m40A 0.85 263 1.621 1.095 1.296 1.365
1mc2A 0.85 122 1.660 1.060 1.247 1.318
1mj5A 0.95 297 1.718 1.099 1.170 1.433
1n4wA 0.92 498 1.534 1.001 1.164 1.268
1n55A 0.83 249 1.515 0.831 1.035 1.073
1nwzA 0.82 125 1.619 0.944 1.173 1.319
1ok0A 0.93 74 1.518 0.958 1.226 1.257
1p9gA 0.84 41 1.472 1.136 1.113 1.220
1pjxA 0.85 314 1.643 1.062 1.085 1.133
1pq7A 0.80 224 1.404 0.798 0.787 0.956
1r6jA 0.73 82 1.325 0.861 0.859 0.925
1rtqA 0.95 291 1.536 0.839 1.126 1.049
1ucsA 0.62 64 1.545 1.023 0.872 0.967
1us0A 0.66 313 1.742 0.992 1.220 1.260
1v6pA 0.87 62 1.523 1.047 1.360 1.467
1vyrA 0.90 363 1.631 1.012 1.006 1.132
1w0nA 0.80 120 1.455 0.912 1.008 0.979
1wy3A 0.95 35 1.897 1.236 1.458 1.718
1x8qA 0.85 184 1.621 0.993 1.203 1.343
2bt9C 0.94 88 1.410 1.022 1.052 1.309
2pvbA 0.91 107 1.477 0.749 1.075 1.182
7a3hA 0.95 300 1.425 0.715 0.974 1.073

Average: 1.533 0.965 1.112 1.222