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. Author manuscript; available in PMC: 2022 Nov 1.
Published in final edited form as: Proteins. 2021 Jul 7;89(11):1458–1472. doi: 10.1002/prot.26166

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
1ADQ 1.25 2.41 x 3.99 x x 0.36 14
1AFV 1.42 1.46 0.84 3.15 4.54 1.65 0.55 11
1EGJ 0.99 1.18 0.81 2.20 5.21 2.77 0.40 10
1EO8 1.44 1.49 1.99 4.09 4.45 6.22 0.44 9
1HEZ 0.85 1.25 1.01 1.60 8.52 3.53 0.25 12
1I9R 1.15 1.19 1.12 2.01 4.63 5.23 0.33 9
1IQD 1.15 1.38 2.60 1.72 4.17 4.73 0.38 8
1KB5 1.06 x 0.95 2.30 x 2.62 0.60 10
1KEN 1.89 1.79 1.90 5.22 6.00 3.92 0.45 11
1NCB 1.43 1.08 x 3.31 4.10 x 0.36 11
1NMB 1.66 1.72 0.94 3.10 6.69 5.74 0.31 13
1NSN 1.30 1.31 x 2.62 2.33 x 0.75 4
1OB1 1.23 1.55 2.62 3.66 4.87 8.01 0.36 11
1ORQ 1.36 1.17 1.58 1.79 2.75 3.22 0.56 9
1OSP 1.79 1.33 1.68 3.07 4.55 5.20 0.33 12
1QFU 1.37 2.27 0.84 4.23 9.00 4.94 0.31 13
1RJL 1.09 1.23 0.95 4.55 4.05 3.81 0.27 11
1YJD 1.15 1.46 0.87 3.05 4.29 4.39 0.45 11
1YQV 1.49 1.31 x 5.47 4.53 x 0.57 7
1ZTX 1.18 1.26 3.65 1.58 5.13 9.69 0.40 10
2ADF 1.07 1.26 0.98 2.44 2.84 3.26 0.44 9
2ARJ 0.92 1.53 x 1.83 4.19 x 0.56 9
2HMI 1.29 1.26 1.88 3.62 5.22 6.29 0.31 13
2I9L 0.93 1.56 0.68 2.21 5.79 3.25 0.20 10
2JEL 1.01 1.22 0.99 2.39 2.29 3.46 0.33 9
2NYY 0.99 1.25 1.41 1.99 3.41 5.37 0.56 9
2NZ9 0.96 1.05 1.11 2.07 3.09 3.14 0.22 9
2Q8B 1.09 x x 2.45 x x 0.33 3
2QR0 1.25 1.73 1.16 1.75 6.01 2.62 0.67 9
2R29 1.17 1.48 x 1.68 3.32 x 0.57 7
2R56 0.96 1.73 0.96 1.31 8.67 5.67 0.42 12
2XRA 1.71 2.21 1.65 4.01 7.23 4.29 0.38 13
2YPV 1.22 1.09 0.72 3.33 5.18 4.75 0.60 10
2ZCH 1.25 1.30 x 3.49 7.68 x 0.46 13
2ZUQ 1.06 1.85 0.83 2.09 3.42 4.14 0.67 6
3B9K 1.19 2.11 1.04 2.54 3.84 2.56 0.67 9
3BGF 1.09 1.32 3.54 3.67 4.88 8.56 0.25 12
3D85 0.97 1.22 1.04 3.02 3.72 3.91 0.33 6
3EFF 1.45 2.11 1.78 4.18 8.23 5.88 0.53 15
3FMG 1.17 1.09 1.00 3.49 3.55 3.82 0.42 12
3KS0 1.69 1.71 x 2.13 3.24 x 0.56 9
3LIZ 1.24 1.30 0.93 4.83 4.20 5.24 0.40 10
3OPZ 1.11 1.36 1.02 2.74 3.66 3.38 0.50 10
3Q3G 1.50 1.77 1.01 4.39 9.42 4.46 0.15 13
3R1G 1.03 1.44 1.13 1.96 3.69 2.90 0.50 10
3RKD 1.06 x 1.61 2.81 x 5.43 0.36 14
3UBX 1.32 1.18 1.05 4.15 6.20 6.28 0.18 11
3V7A 1.28 1.48 1.08 2.55 4.39 3.82 0.45 11
3VG9 1.59 1.81 x 7.54 5.37 x 0.47 15
3VRL 1.27 1.70 1.12 4.15 7.59 4.45 0.62 13
3WFD 1.05 x 0.94 2.08 x 7.24 0.40 15
4AG4 1.25 1.70 0.84 1.61 3.56 5.08 0.71 7
4BZ1 0.77 1.19 0.84 1.41 2.74 3.70 0.38 8
4BZ2 1.34 1.32 0.83 5.25 4.01 5.92 0.58 12
4CAD 1.41 x 0.85 6.98 x 6.21 0.38 16
4CMH 1.07 1.35 1.25 2.44 6.08 3.71 0.36 11
4FFV 1.17 1.10 3.58 1.92 2.30 11.34 0.38 8
4H88 0.96 0.99 0.81 1.79 6.34 3.16 0.60 10
4HT1 1.54 2.01 1.83 1.48 4.45 5.01 0.36 11
4JR9 1.03 2.16 0.81 3.20 2.98 4.12 0.11 9
4JZJ 1.49 1.41 0.92 3.24 6.76 4.25 0.36 11
4K2U 1.07 1.18 0.92 2.47 5.92 3.97 0.42 12
4LVN 1.60 1.13 1.24 4.95 3.89 3.26 0.45 11
4NP4 1.23 1.79 1.29 2.23 8.28 3.45 0.40 10
4PLJ 1.28 x 1.00 3.30 x 5.56 0.57 14
4Q6I 1.26 1.49 x 4.98 6.16 x 0.45 11
4QWW 1.08 1.19 x 5.41 7.01 x 0.50 14
4RDQ 0.92 x 1.13 0.85 x 4.30 0.57 7
4RGM 1.31 1.50 1.16 5.48 4.68 4.70 0.33 12
4RGO 1.26 1.67 0.81 4.45 8.45 5.67 0.42 12
4TNW 2.09 1.77 x 4.19 5.33 x 0.62 13
4UAO 1.16 1.13 1.09 5.01 8.18 4.28 0.33 12
4ZPT 1.06 0.94 1.20 1.80 2.48 4.78 0.57 7
5BV7 1.65 x 2.07 6.42 x 7.83 0.38 16
5CZX 1.27 1.77 0.91 2.82 3.36 3.44 0.50 10
5DFV 0.93 1.62 1.89 2.72 5.22 4.05 0.33 12
5HBT 1.61 3.41 1.49 2.91 x 5.78 0.25 12
5KVF 1.10 1.42 0.88 7.60 5.12 6.00 0.20 10
5LQB 0.98 1.14 x 3.00 4.08 x 0.33 12
5MHR 1.81 1.84 1.32 2.78 3.69 4.86 0.50 12
5T5F 1.40 1.97 1.18 4.23 6.63 4.92 0.38 13
5USH 1.21 1.87 2.17 2.28 10.10 6.48 0.31 13
5USL 1.84 2.02 3.94 7.28 7.59 10.92 0.27 15
5VEB 0.94 1.41 0.98 1.64 5.21 3.78 0.44 9
5Y9C 1.33 1.44 1.57 3.02 4.41 3.75 0.45 11
5Y9F 1.31 1.52 1.08 3.30 7.86 4.27 0.29 14
6BPA 1.14 1.18 1.01 2.27 4.30 3.08 0.18 11

X indicates a failure by the method represented to produce any models of sufficient quality