by Sumit Tarafder, Rahmatullah Roche, Debswapna Bhattacharya
published in Biology Methods and Protocols
RNAmark repository contains the materials related to our large scale study on five transformer based deep learning methods as well as one non deep learning based method for RNA 3D structure prediction:
The predicted 3D structures of all the methods with and without multiple sequence alignment (MSA) are available target-wise under Predictions. Experimental structures, corresponding fasta sequences, and MSAs used in the analysis are available under Data.
To evaluate the predictive performance of these methods, we used a newly curated benchmark dataset containing 72 RNA targets (TS72).
We used the following set of assessment metrics as part of our study.
- Template Modeling Score (TM-score) using US-align.
- Local Distance Difference Test (lDDT) calculated via the docker image obtained from OpenStructure registry.
- Interaction Network Fidelity (INF) score evaluated using the casp-rna pipeline available here.
- Clash score from MolProbity package available here.
- After installation of above tools, change the paths in evaluations.sh in Evaluation folder and run the following command to generate a table of metrics per method. Change the method name in the argument as needed.
cd Evaluation
chmod a+x evaluation.sh
./evaluate.sh DeepFoldRNA
- Table of results will be available in Score.csv file.
Targets | TM-score | lDDT | INF | Clash-score |
---|---|---|---|---|
6YMC_A | 0.48 | 0.67 | 0.34 | 158.65 |
7ECM_A | 0.27 | 0.69 | 0.55 | 145.08 |
7EDL_A | 0.36 | 0.68 | 0.34 | 192.36 |
7EDM_A | 0.34 | 0.66 | 0.43 | 221.91 |
7EEM_A | 0.45 | 0.61 | 0.42 | 144.23 |
7EFG_A | 0.31 | 0.55 | 0.39 | 147.97 |
7EQJ_A | 0.73 | 0.64 | 0.26 | 175.77 |
7EXY_A | 0.24 | 0.48 | 0 | 138.61 |
7KUB_A | 0.35 | 0.5 | 0.22 | 180.81 |
7KUC_A | 0.49 | 0.62 | 0.31 | 159.92 |
7KUD_A | 0.25 | 0.43 | 0 | 182.27 |
7KVT_B | 0.37 | 0.4 | 0.26 | 181.44 |
7MLW_F | 0.81 | 0.62 | 0.3 | 185.82 |
7Q48_A | 0.13 | 0.21 | 0.25 | 148.25 |
7Q6L_A | 0.14 | 0.2 | 0.1 | 133.9 |
7Q7X_B | 0.26 | 0.69 | 0.54 | 172.28 |
7Q7X_C | 0.24 | 0.42 | 0.32 | 123.06 |
7QA2_A | 0.11 | 0.21 | 0.23 | 250 |
7QDU_Q | 0.19 | 0.38 | 0.22 | 152.34 |
7QP2_A | 0.46 | 0.66 | 0.42 | 144.93 |
7R6L_A | 0.57 | 0.47 | 0.28 | 164.27 |
7R6L_B | 0.17 | 0.43 | 0.17 | 164.61 |
7R6M_A | 0.59 | 0.48 | 0.3 | 165.4 |
7RQ5_A | 0.51 | 0.68 | 0.47 | 240.26 |
7RWR_A | 0.38 | 0.47 | 0.29 | 139.44 |
7SHX_A | 0.22 | 0.47 | 0.26 | 169.01 |
7UCR_A | 0.51 | 0.64 | 0.41 | 140.53 |
7UGA_A | 0.41 | 0.57 | 0.36 | 130.81 |
7UMC_A | 0.32 | 0.56 | 0.27 | 132.82 |
7UMD_A | 0.26 | 0.55 | 0.16 | 158.06 |
7UME_A | 0.3 | 0.59 | 0.42 | 204.26 |
7UQ6_B | 0.63 | 0.59 | 0.32 | 161.23 |
7UVT_A | 0.58 | 0.49 | 0.31 | 197.29 |
7UZ0_A | 0.77 | 0.63 | 0.24 | 155.95 |
7V06_A | 0.45 | 0.6 | 0.2 | 158.87 |
7V9E_A | 0.31 | 0.46 | 0.15 | 186.5 |
7VFT_A | 0.21 | 0.66 | 0.45 | 114.56 |
7WIA_V | 0.4 | 0.58 | 0.24 | 144.42 |
7XD3_N | 0.57 | 0.47 | 0.25 | 180.91 |
7XJZ_B | 0.75 | 0.61 | 0.09 | 189.89 |
7XK0_B | 0.8 | 0.61 | 0.13 | 183.01 |
7XSN_N | 0.58 | 0.49 | 0.33 | 184.93 |
7YC8_N | 0.54 | 0.46 | 0.31 | 176.91 |
7YGC_N | 0.54 | 0.48 | 0.3 | 184.46 |
8BGU_3 | 0.67 | 0.61 | 0.2 | 176.79 |
8D2A_A | 0.3 | 0.55 | 0.33 | 193.4 |
8DMB_W | 0.16 | 0.37 | 0.22 | 158.69 |
8DP3_R | 0.3 | 0.52 | 0.33 | 185.15 |
8E0F_D | 0.35 | 0.72 | 0.47 | 118.91 |
8EG0_C | 0.65 | 0.61 | 0.3 | 146.87 |
8F4O_B | 0.58 | 0.57 | 0.24 | 145.62 |
8FCS_A | 0.66 | 0.66 | 0.31 | 163.48 |
8GXC_A | 0.32 | 0.38 | 0.15 | 146.23 |
8HB8_A | 0.22 | 0.41 | 0.25 | 175.3 |
8HBA_A | 0.28 | 0.38 | 0.29 | 181.64 |
8HBA_B | 0.19 | 0.38 | 0.29 | 183.98 |
8HD6_N | 0.57 | 0.5 | 0.24 | 187.21 |
8I3Z_B | 0.12 | 0.39 | 0.22 | 200.4 |
8I43_A | 0.21 | 0.55 | 0.26 | 198.02 |
8I7N_N | 0.57 | 0.47 | 0.24 | 186.68 |
R1107 | 0.48 | 0.53 | 0.23 | 162.62 |
R1108 | 0.48 | 0.56 | 0.35 | 152.25 |
R1116 | 0.38 | 0.53 | 0.24 | 184.94 |
R1117 | 0.21 | 0.43 | 0.18 | 196.54 |
R1126 | 0.18 | 0.37 | 0.21 | 154.74 |
R1128 | 0.36 | 0.61 | 0.32 | 162.87 |
R1136 | 0.14 | 0.28 | 0.27 | 131.86 |
R1138 | 0.12 | 0.36 | 0.28 | 140.9 |
R1149 | 0.28 | 0.53 | 0.12 | 164.71 |
R1156 | 0.29 | 0.53 | 0.28 | 165.26 |
R1189 | 0.23 | 0.46 | 0.27 | 148.38 |
R1190 | 0.25 | 0.5 | 0.25 | 148.38 |
Mean | 0.39 | 0.52 | 0.28 | 167.08 |
Targets | TM-score | lDDT | INF | Clash-score |
---|---|---|---|---|
6YMC_A | 0.4 | 0.8 | 0.89 | 5.98 |
7ECM_A | 0.24 | 0.7 | 0.76 | 2.57 |
7EDL_A | 0.34 | 0.75 | 0.88 | 9.87 |
7EDM_A | 0.29 | 0.75 | 0.88 | 2.82 |
7EEM_A | 0.54 | 0.8 | 0.85 | 16.67 |
7EFG_A | 0.44 | 0.77 | 0.96 | 17.57 |
7EQJ_A | 0.67 | 0.75 | 0.79 | 28.23 |
7EXY_A | 0.17 | 0.27 | 0.57 | 0 |
7KUB_A | 0.35 | 0.55 | 0.76 | 14.53 |
7KUC_A | 0.48 | 0.77 | 0.93 | 1.91 |
7KUD_A | 0.38 | 0.44 | 0.74 | 0 |
7KVT_B | 0.23 | 0.38 | 0.56 | 69.78 |
7MLW_F | 0.53 | 0.6 | 0.67 | 35.17 |
7Q48_A | 0.12 | 0.22 | 0.43 | 1.39 |
7Q6L_A | 0.11 | 0.27 | 0.32 | 9.72 |
7Q7X_B | 0.31 | 0.74 | 0.93 | 2.6 |
7Q7X_C | 0.26 | 0.45 | 0.75 | 0 |
7QA2_A | 0.11 | 0.23 | 0.38 | 0 |
7QDU_Q | 0.17 | 0.37 | 0.64 | 42.67 |
7QP2_A | 0.64 | 0.85 | 0.94 | 15.48 |
7R6L_A | 0.39 | 0.44 | 0.62 | 43.53 |
7R6L_B | 0.21 | 0.47 | 0.61 | 0 |
7R6M_A | 0.33 | 0.43 | 0.65 | 31.77 |
7RQ5_A | 0.35 | 0.67 | 0.81 | 8.1 |
7RWR_A | 0.38 | 0.58 | 0.82 | 13.92 |
7SHX_A | 0.2 | 0.52 | 0.6 | 27.28 |
7UCR_A | 0.62 | 0.82 | 0.84 | 36.61 |
7UGA_A | 0.36 | 0.7 | 0.84 | 22.43 |
7UMC_A | 0.34 | 0.59 | 0.68 | 40.37 |
7UMD_A | 0.21 | 0.56 | 0.73 | 28.64 |
7UME_A | 0.43 | 0.68 | 0.85 | 14.38 |
7UQ6_B | 0.65 | 0.72 | 0.7 | 40.56 |
7UVT_A | 0.25 | 0.47 | 0.67 | 25.63 |
7UZ0_A | 0.74 | 0.76 | 0.75 | 58.76 |
7V06_A | 0.38 | 0.63 | 0.83 | 17.52 |
7V9E_A | 0.27 | 0.5 | 0.63 | 48.26 |
7VFT_A | 0.2 | 0.74 | 0.93 | 0 |
7WIA_V | 0.36 | 0.71 | 0.8 | 20.89 |
7XD3_N | 0.21 | 0.41 | 0.55 | 43.09 |
7XJZ_B | 0.7 | 0.75 | 0.78 | 39.05 |
7XK0_B | 0.78 | 0.75 | 0.64 | 41.91 |
7XSN_N | 0.25 | 0.44 | 0.64 | 40.59 |
7YC8_N | 0.28 | 0.44 | 0.65 | 31.75 |
7YGC_N | 0.34 | 0.45 | 0.62 | 33.73 |
8BGU_3 | 0.63 | 0.71 | 0.73 | 51.52 |
8D2A_A | 0.33 | 0.76 | 0.83 | 25.3 |
8DMB_W | 0.16 | 0.43 | 0.63 | 17.56 |
8DP3_R | 0.28 | 0.57 | 0.71 | 60.85 |
8E0F_D | 0.28 | 0.84 | 0.67 | 23.37 |
8EG0_C | 0.58 | 0.71 | 0.79 | 19.61 |
8F4O_B | 0.54 | 0.64 | 0.64 | 81.24 |
8FCS_A | 0.52 | 0.77 | 0.83 | 17.54 |
8GXC_A | 0.27 | 0.35 | 0.53 | 19.18 |
8HB8_A | 0.23 | 0.37 | 0.51 | 34.21 |
8HBA_A | 0.22 | 0.37 | 0.53 | 38.49 |
8HBA_B | 0.24 | 0.37 | 0.48 | 36.4 |
8HD6_N | 0.23 | 0.43 | 0.61 | 31.91 |
8I3Z_B | 0.13 | 0.35 | 0.57 | 5.96 |
8I43_A | 0.19 | 0.65 | 0.67 | 18.12 |
8I7N_N | 0.21 | 0.41 | 0.58 | 45.56 |
R1107 | 0.26 | 0.51 | 0.69 | 46.15 |
R1108 | 0.43 | 0.67 | 0.67 | 68.29 |
R1116 | 0.56 | 0.62 | 0.66 | 31.8 |
R1117 | 0.35 | 0.51 | 0.52 | 15.12 |
R1126 | 0.22 | 0.49 | 0.7 | 62.36 |
R1128 | 0.31 | 0.66 | 0.75 | 82.37 |
R1136 | 0.24 | 0.5 | 0.77 | 5.24 |
R1138 | 0.12 | 0.34 | 0.59 | 21.32 |
R1149 | 0.26 | 0.48 | 0.6 | 43.14 |
R1156 | 0.25 | 0.55 | 0.7 | 19.4 |
R1189 | 0.21 | 0.49 | 0.56 | 34.22 |
R1190 | 0.22 | 0.52 | 0.62 | 29.78 |
Mean | 0.34 | 0.57 | 0.69 | 27.39 |
Targets | TM-score | lDDT | INF | Clash-score |
---|---|---|---|---|
6YMC_A | 0.56 | 0.86 | 0.93 | 19.12 |
7ECM_A | 0.24 | 0.7 | 0.82 | 120.51 |
7EDL_A | 0.39 | 0.87 | 0.97 | 11.25 |
7EDM_A | 0.31 | 0.84 | 0.86 | 4.23 |
7EEM_A | 0.52 | 0.83 | 0.83 | 93.94 |
7EFG_A | 0.33 | 0.74 | 0.8 | 123.99 |
7EQJ_A | 0.67 | 0.79 | 0.83 | 103.65 |
7EXY_A | 0.25 | 0.58 | 0.81 | 63.24 |
7KUB_A | 0.42 | 0.73 | 0.87 | 74.88 |
7KUC_A | 0.51 | 0.78 | 0.9 | 47.71 |
7KUD_A | 0.43 | 0.73 | 0.9 | 66.67 |
7KVT_B | 0.38 | 0.5 | 0.59 | 251.26 |
7MLW_F | 0.47 | 0.56 | 0.68 | 167.91 |
7Q48_A | 0.13 | 0.23 | 0.41 | 115.76 |
7Q6L_A | 0.14 | 0.24 | 0.36 | 41.61 |
7Q7X_B | 0.23 | 0.77 | 0.87 | 48.3 |
7Q7X_C | 0.2 | 0.5 | 0.7 | 65.81 |
7QA2_A | 0.18 | 0.24 | 0.36 | 78.62 |
7QDU_Q | 0.1 | 0.27 | 0.1 | 119.09 |
7QP2_A | 0.61 | 0.9 | 0.88 | 83.14 |
7R6L_A | 0.25 | 0.31 | 0.25 | 360.32 |
7R6L_B | 0.15 | 0.56 | 0.6 | 181.19 |
7R6M_A | 0.24 | 0.29 | 0.25 | 365.68 |
7RQ5_A | 0.29 | 0.47 | 0.76 | 53.48 |
7RWR_A | 0.43 | 0.57 | 0.77 | 213.58 |
7SHX_A | 0.26 | 0.55 | 0.7 | 197.34 |
7UCR_A | 0.63 | 0.87 | 0.84 | 96 |
7UGA_A | 0.36 | 0.73 | 0.8 | 128.75 |
7UMC_A | 0.48 | 0.68 | 0.86 | 89.98 |
7UMD_A | 0.28 | 0.62 | 0.78 | 128.12 |
7UME_A | 0.39 | 0.72 | 0.81 | 74.61 |
7UQ6_B | 0.62 | 0.76 | 0.75 | 152.54 |
7UVT_A | 0.32 | 0.34 | 0.32 | 389.35 |
7UZ0_A | 0.56 | 0.66 | 0.7 | 122.15 |
7V06_A | 0.44 | 0.75 | 0.81 | 81.62 |
7V9E_A | 0.28 | 0.61 | 0.81 | 178.07 |
7VFT_A | 0.22 | 0.7 | 0.68 | 79.73 |
7WIA_V | 0.42 | 0.71 | 0.84 | 72.15 |
7XD3_N | 0.26 | 0.3 | 0.29 | 347.05 |
7XJZ_B | 0.74 | 0.76 | 0.77 | 67.07 |
7XK0_B | 0.79 | 0.76 | 0.75 | 63.56 |
7XSN_N | 0.31 | 0.34 | 0.39 | 400.67 |
7YC8_N | 0.33 | 0.29 | 0.4 | 466.11 |
7YGC_N | 0.3 | 0.35 | 0.39 | 433.38 |
8BGU_3 | 0.67 | 0.8 | 0.86 | 90.3 |
8D2A_A | 0.29 | 0.69 | 0.84 | 102.25 |
8DMB_W | 0.19 | 0.37 | 0.32 | 415.37 |
8DP3_R | 0.31 | 0.68 | 0.81 | 172.06 |
8E0F_D | 0.33 | 0.9 | 0.89 | 17.51 |
8EG0_C | 0.63 | 0.75 | 0.86 | 91.61 |
8F4O_B | 0.59 | 0.71 | 0.84 | 87.35 |
8FCS_A | 0.71 | 0.81 | 0.88 | 76.82 |
8GXC_A | 0.22 | 0.34 | 0.43 | 306.88 |
8HB8_A | 0.24 | 0.38 | 0.42 | 292.22 |
8HBA_A | 0.18 | 0.35 | 0.47 | 285.43 |
8HBA_B | 0.2 | 0.36 | 0.5 | 280.43 |
8HD6_N | 0.25 | 0.3 | 0.27 | 363.67 |
8I3Z_B | 0.14 | 0.39 | 0.61 | 94.43 |
8I43_A | 0.22 | 0.73 | 0.78 | 49.34 |
8I7N_N | 0.27 | 0.31 | 0.26 | 323.8 |
R1107 | 0.24 | 0.41 | 0.61 | 135.59 |
R1108 | 0.37 | 0.65 | 0.79 | 165.08 |
R1116 | 0.46 | 0.61 | 0.79 | 209.02 |
R1117 | 0.25 | 0.58 | 0.65 | 195.02 |
R1126 | 0.14 | 0.41 | 0.36 | 525.35 |
R1128 | 0.28 | 0.7 | 0.8 | 249.9 |
R1136 | 0.17 | 0.37 | 0.32 | 414.27 |
R1138 | 0.09 | 0.27 | 0.02 | 66.67 |
R1149 | 0.31 | 0.65 | 0.79 | 164.21 |
R1156 | 0.29 | 0.48 | 0.56 | 286.65 |
R1189 | 0.22 | 0.47 | 0.57 | 355.28 |
R1190 | 0.24 | 0.52 | 0.56 | 355.28 |
Mean | 0.35 | 0.57 | 0.65 | 175.21 |
Targets | TM-score | lDDT | INF | Clash-score |
---|---|---|---|---|
6YMC_A | 0.59 | 0.94 | 0.96 | 9.56 |
7ECM_A | 0.38 | 0.85 | 0.95 | 0 |
7EDL_A | 0.39 | 0.88 | 0.97 | 7.03 |
7EDM_A | 0.34 | 0.83 | 0.91 | 9.86 |
7EEM_A | 0.49 | 0.9 | 0.94 | 8.32 |
7EFG_A | 0.2 | 0.71 | 0.65 | 191.39 |
7EQJ_A | 0.76 | 0.82 | 0.9 | 22.06 |
7EXY_A | 0.22 | 0.54 | 0.84 | 31.5 |
7KUB_A | 0.42 | 0.59 | 0.79 | 27.45 |
7KUC_A | 0.44 | 0.81 | 0.88 | 113.03 |
7KUD_A | 0.28 | 0.7 | 0.86 | 94.79 |
7KVT_B | 0.26 | 0.43 | 0.58 | 64.77 |
7MLW_F | 0.81 | 0.76 | 0.81 | 50.98 |
7Q48_A | 0.13 | 0.28 | 0.36 | 69.93 |
7Q6L_A | 0.16 | 0.24 | 0.35 | 24.9 |
7Q7X_B | 0.19 | 0.75 | 0.93 | 15.56 |
7Q7X_C | 0.19 | 0.45 | 0.75 | 6.43 |
7QA2_A | 0.11 | 0.28 | 0.32 | 93.92 |
7QDU_Q | 0.14 | 0.27 | 0.57 | 49.55 |
7QP2_A | 0.55 | 0.93 | 0.94 | 9.5 |
7R6L_A | 0.56 | 0.58 | 0.78 | 44.93 |
7R6L_B | 0.12 | 0.44 | 0.58 | 35.42 |
7R6M_A | 0.55 | 0.53 | 0.75 | 58.37 |
7RQ5_A | 0.32 | 0.67 | 0.77 | 66.13 |
7RWR_A | 0.37 | 0.53 | 0.79 | 58.24 |
7SHX_A | 0.24 | 0.58 | 0.76 | 66.34 |
7UCR_A | 0.62 | 0.93 | 0.96 | 8 |
7UGA_A | 0.36 | 0.67 | 0.78 | 70.71 |
7UMC_A | 0.53 | 0.7 | 0.86 | 59.14 |
7UMD_A | 0.25 | 0.58 | 0.83 | 32.56 |
7UME_A | 0.32 | 0.72 | 0.85 | 111.36 |
7UQ6_B | 0.69 | 0.83 | 0.83 | 44.26 |
7UVT_A | 0.47 | 0.56 | 0.75 | 44.98 |
7UZ0_A | 0.73 | 0.81 | 0.84 | 30.26 |
7V06_A | 0.31 | 0.67 | 0.85 | 48.83 |
7V9E_A | 0.3 | 0.53 | 0.75 | 71.76 |
7VFT_A | 0.17 | 0.78 | 0.68 | 25.37 |
7WIA_V | 0.36 | 0.68 | 0.79 | 52.5 |
7XD3_N | 0.48 | 0.52 | 0.7 | 50.29 |
7XJZ_B | 0.73 | 0.81 | 0.86 | 25.15 |
7XK0_B | 0.78 | 0.82 | 0.86 | 28.07 |
7XSN_N | 0.5 | 0.53 | 0.77 | 48.46 |
7YC8_N | 0.54 | 0.55 | 0.77 | 47.49 |
7YGC_N | 0.57 | 0.56 | 0.75 | 46.19 |
8BGU_3 | 0.64 | 0.76 | 0.88 | 36.79 |
8D2A_A | 0.4 | 0.84 | 0.92 | 46.9 |
8DMB_W | 0.2 | 0.42 | 0.7 | 47.94 |
8DP3_R | 0.34 | 0.62 | 0.82 | 41.84 |
8E0F_D | 0.24 | 0.77 | 0.87 | 9.72 |
8EG0_C | 0.61 | 0.75 | 0.91 | 31.46 |
8F4O_B | 0.59 | 0.74 | 0.89 | 29.86 |
8FCS_A | 0.6 | 0.81 | 0.89 | 31.11 |
8GXC_A | 0.37 | 0.4 | 0.6 | 29.53 |
8HB8_A | 0.21 | 0.32 | 0.52 | 66 |
8HBA_A | 0.24 | 0.3 | 0.55 | 34.57 |
8HBA_B | 0.24 | 0.31 | 0.59 | 43.69 |
8HD6_N | 0.51 | 0.54 | 0.72 | 68.33 |
8I3Z_B | 0.15 | 0.35 | 0.42 | 49.7 |
8I43_A | 0.24 | 0.73 | 0.85 | 54.55 |
8I7N_N | 0.48 | 0.54 | 0.71 | 61.28 |
R1107 | 0.34 | 0.65 | 0.84 | 35.65 |
R1108 | 0.33 | 0.68 | 0.86 | 40.2 |
R1116 | 0.44 | 0.61 | 0.8 | 48.34 |
R1117 | 0.19 | 0.32 | 0.6 | 59.2 |
R1126 | 0.23 | 0.48 | 0.71 | 34.25 |
R1128 | 0.28 | 0.65 | 0.8 | 42.87 |
R1136 | 0.19 | 0.5 | 0.76 | 47.45 |
R1138 | 0.15 | 0.26 | 0.59 | 51.67 |
R1149 | 0.26 | 0.53 | 0.72 | 62.31 |
R1156 | 0.3 | 0.63 | 0.8 | 41.77 |
R1189 | 0.22 | 0.54 | 0.73 | 43.51 |
R1190 | 0.25 | 0.57 | 0.72 | 37.55 |
Mean | 0.38 | 0.61 | 0.76 | 45.88 |
Targets | TM-score | lDDT | INF | Clash-score |
---|---|---|---|---|
6YMC_A | 0.49 | 0.8 | 0.96 | 442 |
7ECM_A | 0.31 | 0.69 | 0.79 | 466.84 |
7EDL_A | 0.34 | 0.79 | 0.94 | 505.08 |
7EDM_A | 0.31 | 0.8 | 0.91 | 431.46 |
7EEM_A | 0.56 | 0.81 | 0.93 | 507.92 |
7EFG_A | 0.31 | 0.74 | 0.92 | 479.81 |
7EQJ_A | 0.76 | 0.78 | 0.9 | 435.57 |
7EXY_A | 0.23 | 0.55 | 0.85 | 478.87 |
7KUB_A | 0.33 | 0.55 | 0.72 | 565.03 |
7KUC_A | 0.35 | 0.73 | 0.87 | 524.27 |
7KUD_A | 0.31 | 0.72 | 0.75 | 447.37 |
7KVT_B | 0.68 | 0.66 | 0.72 | 495.11 |
7MLW_F | 0.82 | 0.7 | 0.77 | 454.69 |
7Q48_A | 0.11 | 0.22 | 0.42 | 465.44 |
7Q6L_A | 0.11 | 0.23 | 0.34 | 461.1 |
7Q7X_B | 0.24 | 0.75 | 1 | 514.02 |
7Q7X_C | 0.32 | 0.6 | 0.88 | 565.5 |
7QA2_A | 0.13 | 0.23 | 0.38 | 506.28 |
7QDU_Q | 0.06 | 0.29 | 0.02 | 65.59 |
7QP2_A | 0.68 | 0.84 | 0.92 | 519.46 |
7R6L_A | 0.46 | 0.46 | 0.72 | 777.45 |
7R6L_B | 0.14 | 0.42 | 0.54 | 562.41 |
7R6M_A | 0.4 | 0.43 | 0.67 | 730.32 |
7RQ5_A | 0.27 | 0.44 | 0.76 | 503.28 |
7RWR_A | 0.38 | 0.51 | 0.8 | 467.84 |
7SHX_A | 0.19 | 0.47 | 0.68 | 477.43 |
7UCR_A | 0.74 | 0.85 | 0.92 | 507.6 |
7UGA_A | 0.42 | 0.64 | 0.8 | 571.85 |
7UMC_A | 0.37 | 0.66 | 0.83 | 419.65 |
7UMD_A | 0.3 | 0.57 | 0.8 | 473.06 |
7UME_A | 0.33 | 0.66 | 0.88 | 425.17 |
7UQ6_B | 0.62 | 0.74 | 0.8 | 479.02 |
7UVT_A | 0.42 | 0.48 | 0.74 | 624.84 |
7UZ0_A | 0.73 | 0.77 | 0.88 | 486.44 |
7V06_A | 0.35 | 0.66 | 0.8 | 454.48 |
7V9E_A | 0.62 | 0.71 | 0.86 | 449.9 |
7VFT_A | 0.19 | 0.71 | 0.75 | 504.8 |
7WIA_V | 0.35 | 0.63 | 0.81 | 455.19 |
7XD3_N | 0.43 | 0.45 | 0.68 | 669.36 |
7XJZ_B | 0.78 | 0.73 | 0.83 | 446.84 |
7XK0_B | 0.81 | 0.74 | 0.82 | 440.24 |
7XSN_N | 0.44 | 0.48 | 0.75 | 631.33 |
7YC8_N | 0.42 | 0.46 | 0.7 | 738.82 |
7YGC_N | 0.41 | 0.46 | 0.69 | 762.75 |
8BGU_3 | 0.64 | 0.7 | 0.84 | 504.55 |
8D2A_A | 0.28 | 0.66 | 0.83 | 433.82 |
8DMB_W | 0.31 | 0.43 | 0.69 | 608.81 |
8DP3_R | 0.31 | 0.61 | 0.83 | 389.85 |
8E0F_D | 0.32 | 0.82 | 0.95 | 440.32 |
8EG0_C | 0.67 | 0.72 | 0.86 | 434.78 |
8F4O_B | 0.55 | 0.66 | 0.8 | 465.75 |
8FCS_A | 0.69 | 0.74 | 0.88 | 401.72 |
8GXC_A | 0.22 | 0.4 | 0.45 | 716.79 |
8HB8_A | 0.23 | 0.4 | 0.51 | 595.38 |
8HBA_A | 0.29 | 0.4 | 0.52 | 592.47 |
8HBA_B | 0.3 | 0.4 | 0.54 | 593.77 |
8HD6_N | 0.44 | 0.46 | 0.69 | 627.91 |
8I3Z_B | 0.15 | 0.34 | 0.55 | 703.11 |
8I43_A | 0.11 | 0.66 | 0.72 | 461.93 |
8I7N_N | 0.44 | 0.44 | 0.67 | 637.06 |
R1107 | 0.37 | 0.5 | 0.68 | 566.14 |
R1108 | 0.44 | 0.66 | 0.87 | 476.1 |
R1116 | 0.53 | 0.62 | 0.8 | 444.77 |
R1117 | 0.25 | 0.53 | 0.69 | 509.39 |
R1126 | 0.07 | 0.32 | 0.03 | 41.83 |
R1128 | 0.34 | 0.6 | 0.74 | 531.13 |
R1136 | 0.07 | 0.29 | 0.04 | 139.17 |
R1138 | 0.05 | 0.26 | 0.02 | 123.8 |
R1149 | 0.33 | 0.57 | 0.84 | 532.1 |
R1156 | 0.34 | 0.61 | 0.82 | 499.04 |
R1189 | 0.19 | 0.5 | 0.63 | 509.37 |
R1190 | 0.23 | 0.55 | 0.64 | 509.37 |
Mean | 0.38 | 0.58 | 0.72 | 498.36 |
Targets | TM-score | lDDT | INF | Clash-score |
---|---|---|---|---|
6YMC_A | 0.38 | 0.82 | 0.92 | 23.95 |
7ECM_A | 0.17 | 0.56 | 0.53 | 12.89 |
7EDL_A | 0.18 | 0.58 | 0.44 | 13.55 |
7EDM_A | 0.11 | 0.66 | 0.71 | 20.35 |
7EEM_A | 0.28 | 0.55 | 0.7 | 20.62 |
7EFG_A | 0.17 | 0.46 | 0.47 | 17.6 |
7EQJ_A | 0.23 | 0.29 | 0.47 | 21.29 |
7EXY_A | 0.15 | 0.51 | 0.76 | 7.91 |
7KUB_A | 0.39 | 0.62 | 0.83 | 16.1 |
7KUC_A | 0.33 | 0.69 | 0.83 | 15.3 |
7KUD_A | 0.2 | 0.66 | 0.89 | 7.18 |
7KVT_B | 0.22 | 0.33 | 0.43 | 20.6 |
7MLW_F | 0.37 | 0.54 | 0.39 | 12.59 |
7Q48_A | 0.12 | 0.21 | 0.49 | 16.76 |
7Q6L_A | 0.03 | 0.22 | 0.4 | 19.47 |
7Q7X_B | 0.09 | 0.67 | 0.79 | 18.21 |
7Q7X_C | 0.21 | 0.52 | 0.62 | 11.6 |
7QA2_A | 0.07 | 0.2 | 0.44 | 16.57 |
7QP2_A | 0.25 | 0.57 | 0.61 | 20.62 |
7R6L_A | 0.14 | 0.35 | 0.4 | 18.05 |
7R6L_B | 0.1 | 0.5 | 0.53 | 27.14 |
7R6M_A | 0.21 | 0.35 | 0.47 | 68.71 |
7RQ5_A | 0.22 | 0.63 | 0.76 | 17.86 |
7RWR_A | 0.3 | 0.51 | 0.74 | 19.67 |
7SHX_A | 0.2 | 0.5 | 0.66 | 18.74 |
7UCR_A | 0.26 | 0.56 | 0.72 | 20.62 |
7UGA_A | 0.32 | 0.53 | 0.71 | 15.21 |
7UMC_A | 0.22 | 0.61 | 0.85 | 15.53 |
7UMD_A | 0.23 | 0.61 | 0.81 | 18.59 |
7UME_A | 0.29 | 0.65 | 0.88 | 17.72 |
7UQ6_B | 0.2 | 0.5 | 0.3 | 20.58 |
7UVT_A | 0.2 | 0.42 | 0.38 | 57.23 |
7UZ0_A | 0.2 | 0.44 | 0.32 | 22.44 |
7V06_A | 0.29 | 0.6 | 0.78 | 18.99 |
7V9E_A | 0.25 | 0.54 | 0.72 | 18.29 |
7VFT_A | 0.17 | 0.67 | 0.62 | 14.71 |
7WIA_V | 0.43 | 0.72 | 0.51 | 17.36 |
7XD3_N | 0.23 | 0.42 | 0.63 | 58.66 |
7XJZ_B | 0.23 | 0.47 | 0.32 | 24.46 |
7XK0_B | 0.24 | 0.47 | 0.31 | 24.46 |
7XSN_N | 0.18 | 0.42 | 0.7 | 20.13 |
7YC8_N | 0.14 | 0.4 | 0.38 | 18.05 |
7YGC_N | 0.14 | 0.41 | 0.69 | 18.05 |
8BGU_3 | 0.52 | 0.6 | 0.79 | 12.63 |
8D2A_A | 0.27 | 0.62 | 0.74 | 15.01 |
8DMB_W | 0.13 | 0.33 | 0.42 | 20.34 |
8DP3_R | 0.28 | 0.59 | 0.87 | 21.91 |
8E0F_D | 0.14 | 0.57 | 0.5 | 12.67 |
8EG0_C | 0.21 | 0.48 | 0.47 | 23.84 |
8F4O_B | 0.17 | 0.32 | 0.39 | 14.98 |
8FCS_A | 0.51 | 0.73 | 0.85 | 17.11 |
8GXC_A | 0.12 | 0.22 | 0.47 | 20.9 |
8HB8_A | 0.18 | 0.26 | 0.48 | 15.15 |
8HBA_A | 0.15 | 0.27 | 0.33 | 16 |
8HBA_B | 0.16 | 0.26 | 0.39 | 16 |
8HD6_N | 0.21 | 0.43 | 0.65 | 34.44 |
8I3Z_B | 0.13 | 0.33 | 0.4 | 14.93 |
8I43_A | 0.16 | 0.6 | 0.68 | 21.45 |
8I7N_N | 0.22 | 0.41 | 0.68 | 47.2 |
R1107 | 0.22 | 0.36 | 0.6 | 19.47 |
R1108 | 0.3 | 0.47 | 0.73 | 9.5 |
R1116 | 0.43 | 0.65 | 0.34 | 15.3 |
R1117 | 0.12 | 0.2 | 0.55 | 24.86 |
R1126 | 0.18 | 0.5 | 0.79 | 157.12 |
R1128 | 0.23 | 0.69 | 0.87 | 12.63 |
R1136 | 0.2 | 0.49 | 0.77 | 52.37 |
R1149 | 0.31 | 0.61 | 0.83 | 16.15 |
R1156 | 0.18 | 0.44 | 0.67 | 27.26 |
R1189 | 0.2 | 0.49 | 0.68 | 11.24 |
R1190 | 0.24 | 0.54 | 0.69 | 11.24 |
Mean | 0.22 | 0.49 | 0.61 | 22.66 |