Table 1:
Median backbone and HCDR3 RMSDs by method for each antibody tested from the benchmark set.
PDB | Median Backbone RMSD to Native Crystal Structure of the Top 10 of Models by Energy Score | Median HCDR3 RMSD to Native Crystal Structure of the Top 10 of Models by Energy Score | HCDR3 Sequence Identity to the Closest HCDR3 Template | HCDR3 Length | ||||
---|---|---|---|---|---|---|---|---|
Multi-Template | Rosetta Antibody | AbPredict | Multi-Template | Rosetta Antibody | AbPredict | |||
1.25 | 2.41 | x† | 3.99 | x | x | 0.36 | ||
1.42 | 1.46 | 0.84 | 3.15 | 4.54 | 1.65 | 0.55 | ||
0.99 | 1.18 | 0.81 | 2.20 | 5.21 | 2.77 | 0.40 | ||
1.44 | 1.49 | 1.99 | 4.09 | 4.45 | 6.22 | 0.44 | ||
0.85 | 1.25 | 1.01 | 1.60 | 8.52 | 3.53 | 0.25 | ||
1.15 | 1.19 | 1.12 | 2.01 | 4.63 | 5.23 | 0.33 | ||
1.15 | 1.38 | 2.60 | 1.72 | 4.17 | 4.73 | 0.38 | ||
1.06 | x | 0.95 | 2.30 | x | 2.62 | 0.60 | ||
1.89 | 1.79 | 1.90 | 5.22 | 6.00 | 3.92 | 0.45 | ||
1.43 | 1.08 | x | 3.31 | 4.10 | x | 0.36 | ||
1.66 | 1.72 | 0.94 | 3.10 | 6.69 | 5.74 | 0.31 | ||
1.30 | 1.31 | x | 2.62 | 2.33 | x | 0.75 | ||
1.23 | 1.55 | 2.62 | 3.66 | 4.87 | 8.01 | 0.36 | ||
1.36 | 1.17 | 1.58 | 1.79 | 2.75 | 3.22 | 0.56 | ||
1.79 | 1.33 | 1.68 | 3.07 | 4.55 | 5.20 | 0.33 | ||
1.37 | 2.27 | 0.84 | 4.23 | 9.00 | 4.94 | 0.31 | ||
1.09 | 1.23 | 0.95 | 4.55 | 4.05 | 3.81 | 0.27 | ||
1.15 | 1.46 | 0.87 | 3.05 | 4.29 | 4.39 | 0.45 | ||
1.49 | 1.31 | x | 5.47 | 4.53 | x | 0.57 | ||
1.18 | 1.26 | 3.65 | 1.58 | 5.13 | 9.69 | 0.40 | ||
1.07 | 1.26 | 0.98 | 2.44 | 2.84 | 3.26 | 0.44 | ||
0.92 | 1.53 | x | 1.83 | 4.19 | x | 0.56 | ||
1.29 | 1.26 | 1.88 | 3.62 | 5.22 | 6.29 | 0.31 | ||
0.93 | 1.56 | 0.68 | 2.21 | 5.79 | 3.25 | 0.20 | ||
1.01 | 1.22 | 0.99 | 2.39 | 2.29 | 3.46 | 0.33 | ||
0.99 | 1.25 | 1.41 | 1.99 | 3.41 | 5.37 | 0.56 | ||
0.96 | 1.05 | 1.11 | 2.07 | 3.09 | 3.14 | 0.22 | ||
1.09 | x | x | 2.45 | x | x | 0.33 | ||
1.25 | 1.73 | 1.16 | 1.75 | 6.01 | 2.62 | 0.67 | ||
1.17 | 1.48 | x | 1.68 | 3.32 | x | 0.57 | ||
0.96 | 1.73 | 0.96 | 1.31 | 8.67 | 5.67 | 0.42 | ||
1.71 | 2.21 | 1.65 | 4.01 | 7.23 | 4.29 | 0.38 | ||
1.22 | 1.09 | 0.72 | 3.33 | 5.18 | 4.75 | 0.60 | ||
1.25 | 1.30 | x | 3.49 | 7.68 | x | 0.46 | ||
1.06 | 1.85 | 0.83 | 2.09 | 3.42 | 4.14 | 0.67 | ||
1.19 | 2.11 | 1.04 | 2.54 | 3.84 | 2.56 | 0.67 | ||
1.09 | 1.32 | 3.54 | 3.67 | 4.88 | 8.56 | 0.25 | ||
0.97 | 1.22 | 1.04 | 3.02 | 3.72 | 3.91 | 0.33 | ||
1.45 | 2.11 | 1.78 | 4.18 | 8.23 | 5.88 | 0.53 | ||
1.17 | 1.09 | 1.00 | 3.49 | 3.55 | 3.82 | 0.42 | ||
1.69 | 1.71 | x | 2.13 | 3.24 | x | 0.56 | ||
1.24 | 1.30 | 0.93 | 4.83 | 4.20 | 5.24 | 0.40 | ||
1.11 | 1.36 | 1.02 | 2.74 | 3.66 | 3.38 | 0.50 | ||
1.50 | 1.77 | 1.01 | 4.39 | 9.42 | 4.46 | 0.15 | ||
1.03 | 1.44 | 1.13 | 1.96 | 3.69 | 2.90 | 0.50 | ||
1.06 | x | 1.61 | 2.81 | x | 5.43 | 0.36 | ||
1.32 | 1.18 | 1.05 | 4.15 | 6.20 | 6.28 | 0.18 | ||
1.28 | 1.48 | 1.08 | 2.55 | 4.39 | 3.82 | 0.45 | ||
1.59 | 1.81 | x | 7.54 | 5.37 | x | 0.47 | ||
1.27 | 1.70 | 1.12 | 4.15 | 7.59 | 4.45 | 0.62 | ||
1.05 | x | 0.94 | 2.08 | x | 7.24 | 0.40 | ||
1.25 | 1.70 | 0.84 | 1.61 | 3.56 | 5.08 | 0.71 | ||
0.77 | 1.19 | 0.84 | 1.41 | 2.74 | 3.70 | 0.38 | ||
1.34 | 1.32 | 0.83 | 5.25 | 4.01 | 5.92 | 0.58 | ||
1.41 | x | 0.85 | 6.98 | x | 6.21 | 0.38 | ||
1.07 | 1.35 | 1.25 | 2.44 | 6.08 | 3.71 | 0.36 | ||
1.17 | 1.10 | 3.58 | 1.92 | 2.30 | 11.34 | 0.38 | ||
0.96 | 0.99 | 0.81 | 1.79 | 6.34 | 3.16 | 0.60 | ||
1.54 | 2.01 | 1.83 | 1.48 | 4.45 | 5.01 | 0.36 | ||
1.03 | 2.16 | 0.81 | 3.20 | 2.98 | 4.12 | 0.11 | ||
1.49 | 1.41 | 0.92 | 3.24 | 6.76 | 4.25 | 0.36 | ||
1.07 | 1.18 | 0.92 | 2.47 | 5.92 | 3.97 | 0.42 | ||
1.60 | 1.13 | 1.24 | 4.95 | 3.89 | 3.26 | 0.45 | ||
1.23 | 1.79 | 1.29 | 2.23 | 8.28 | 3.45 | 0.40 | ||
1.28 | x | 1.00 | 3.30 | x | 5.56 | 0.57 | ||
1.26 | 1.49 | x | 4.98 | 6.16 | x | 0.45 | ||
1.08 | 1.19 | x | 5.41 | 7.01 | x | 0.50 | ||
0.92 | x | 1.13 | 0.85 | x | 4.30 | 0.57 | ||
1.31 | 1.50 | 1.16 | 5.48 | 4.68 | 4.70 | 0.33 | ||
1.26 | 1.67 | 0.81 | 4.45 | 8.45 | 5.67 | 0.42 | ||
2.09 | 1.77 | x | 4.19 | 5.33 | x | 0.62 | ||
1.16 | 1.13 | 1.09 | 5.01 | 8.18 | 4.28 | 0.33 | ||
1.06 | 0.94 | 1.20 | 1.80 | 2.48 | 4.78 | 0.57 | ||
1.65 | x | 2.07 | 6.42 | x | 7.83 | 0.38 | ||
1.27 | 1.77 | 0.91 | 2.82 | 3.36 | 3.44 | 0.50 | ||
0.93 | 1.62 | 1.89 | 2.72 | 5.22 | 4.05 | 0.33 | ||
1.61 | 3.41 | 1.49 | 2.91 | x | 5.78 | 0.25 | ||
1.10 | 1.42 | 0.88 | 7.60 | 5.12 | 6.00 | 0.20 | ||
0.98 | 1.14 | x | 3.00 | 4.08 | x | 0.33 | ||
1.81 | 1.84 | 1.32 | 2.78 | 3.69 | 4.86 | 0.50 | ||
1.40 | 1.97 | 1.18 | 4.23 | 6.63 | 4.92 | 0.38 | ||
1.21 | 1.87 | 2.17 | 2.28 | 10.10 | 6.48 | 0.31 | ||
1.84 | 2.02 | 3.94 | 7.28 | 7.59 | 10.92 | 0.27 | ||
0.94 | 1.41 | 0.98 | 1.64 | 5.21 | 3.78 | 0.44 | ||
1.33 | 1.44 | 1.57 | 3.02 | 4.41 | 3.75 | 0.45 | ||
1.31 | 1.52 | 1.08 | 3.30 | 7.86 | 4.27 | 0.29 |
X indicates a failure by the method represented to produce any models of sufficient quality