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. 2011 Aug 2;6(8):e22477. doi: 10.1371/journal.pone.0022477

Table 5. Results of incorporating small molecules in Rosetta v3.2.

without ligand with ligand
PDB ligand N5 µ (N5) [σ(N5)] Psuccess Irmsd (Å) N5 µ (N5) [σ(N5)] Psuccess Irmsd (Å)
1EWY FAD 1 1.0 [1.1] 0.02 3.01 3 2.6 [1.2] 0.22 1.07
1GRN GDP, Mg 1 1.1 [1.0] 0.02 1.24 2 2.3 [1.2] 0.18 1.02
1WQ1 GDP, Mg 3 2.8 [1.3] 0.30 1.48 2 1.9 [1.2] 0.12 2.90
1RLB Retinoic acid 1 0.8 [0.9] 0.01 3.88 2 2.1 [1.3] 0.16 1.99
1R8S GDP 0 0.0 [0.0] 0.00 5.21 0 0.0 [0.0] 0.0 4.19