From: In silico optimization of RNA–protein interactions for CRISPR-Cas13-based antimicrobials
Cas13 protein GT structure and predicted ΔG | Best model | Candidate crRNA | Model | Distance (Å) | Cluster | Human expertise | Predicted ΔG (kcal/mol) |
---|---|---|---|---|---|---|---|
5W1H − 14.06 kcal/mol | RNAC_5W1HvsAP019845_1_1_1 | AP019845_1_1 | 1 | 15.42061 | 8 | 1 | − 13.47 |
RNAC_5W1HvsAP019845_1_1_5 | AP019845_1_1 | 5 | 15.91598 | 6 | 1 | − 13.53 | |
RNAC_5W1HvsCP002345_2_4_1 | CP002345_2_4 | 1 | 18.63954 | 16 | 1 | − 15.16 | |
RNAC_5W1HvsCP002345_2_9_10 | CP002345_2_9 | 10 | 8.592774 | 3 | 0 | − 15.16 | |
Rose_5W1HvsAP019834_1_1_1 | AP019834_1_1 | 1 | 17.97766 | 3 | 1 | − 15.09 | |
Rose_5W1HvsAP019845_1_1_3 | AP019845_1_1 | 3 | 8.767469 | 16 | 0 | − 13.53 | |
Rose_5W1HvsAP019845_1_1_7 | AP019845_1_1 | 7 | 16.31799 | 3 | 1 | − 13.53 | |
Rose_5W1HvsCP002345_2_6_1 | CP002345_2_6 | 1 | 10.5807 | 3 | 0 | − 15.16 | |
Rose_5W1HvsCP002345_2_7_1 | CP002345_2_7 | 1 | 10.28279 | 3 | 0 | − 15.16 | |
Rose_5W1HvsCP018618_1_1_1 | CP018618_1_1 | 1 | 11.36411 | 3 | 0 | − 13.46 | |
5W1I_AB − 13.93 kcal/mol | RNAC_5W1IABvsAP019834_2_2_1 | AP019834_2_2 | 1 | 15.41219 | 1 | 1 | − 15.09 |
RNAC_5W1IABvsAP019845_1_1_1 | AP019845_1_1 | 1 | 15.4393 | 7 | 1 | − 13.47 | |
RNAC_5W1IABvsAP019845_1_1_2 | AP019845_1_1 | 2 | 16.81572 | 15 | 1 | − 13.53 | |
RNAC_5W1IABvsCP091244_12_2_8 | CP091244_12_2 | 8 | 19.48762 | 9 | 1 | − 15.09 | |
Rose_5W1IABvsAP019834_1_1_7 | AP019834_1_1 | 7 | 18.04252 | 9 | 1 | − 15.09 | |
Rose_5W1IABvsAP019845_1_1_2 | AP019845_1_1 | 2 | 17.05391 | 9 | 1 | − 13.53 | |
Rose_5W1IABvsCP002345_2_5_4 | CP002345_2_5 | 4 | 14.53866 | 1 | 1 | − 15.16 | |
Rose_5W1IABvsCP002345_2_6_2 | CP002345_2_6 | 2 | 10.42858 | 1 | 0 | − 15.16 | |
Rose_5W1IABvsCP002345_2_6_5 | CP002345_2_6 | 5 | 13.87067 | 1 | 0 | − 15.16 | |
Rose_5W1IABvsCP002345_2_7_2 | CP002345_2_7 | 2 | 10.77602 | 1 | 0 | − 15.16 | |
Rose_5W1IABvsCP018618_1_1_1 | CP018618_1_1 | 1 | 10.17277 | 1 | 0 | − 13.46 | |
5W1I_CD − 13.68 kcal/mol | RNAC_5W1ICDvsAP019834_2_2_3 | AP019834_2_2 | 3 | 14.82603 | 18 | 0 | − 15.09 |
RNAC_5W1ICDvsAP019845_1_1_1 | AP019845_1_1 | 1 | 15.82544 | 19 | 1 | − 13.47 | |
RNAC_5W1ICDvsAP019845_1_1_10 | AP019845_1_1 | 10 | 11.31408 | 18 | 1 | − 15.09 | |
Rose_5W1ICDvsAP019834_1_1_5 | AP019834_1_1 | 5 | 18.23438 | 2 | 1 | − 15.09 | |
Rose_5W1ICDvsAP019845_1_1_9 | AP019845_1_1 | 9 | 18.28236 | 2 | 1 | − 13.53 | |
Rose_5W1ICDvsCP002345_2_4_4 | CP002345_2_4 | 4 | 10.64548 | 18 | 0 | − 15.06 | |
Rose_5W1ICDvsCP002345_2_6_1 | CP002345_2_6 | 1 | 10.06707 | 18 | 0 | − 15.16 | |
Rose_5W1ICDvsCP002345_2_6_6 | CP002345_2_6 | 6 | 13.18188 | 18 | 0 | − 15.16 | |
Rose_5W1ICDvsCP002345_2_6_7 | CP002345_2_6 | 7 | 10.06989 | 18 | 0 | − 15.16 | |
Rose_5W1ICDvsCP002345_2_7_1 | CP002345_2_7 | 1 | 10.96614 | 18 | 0 | − 15.16 | |
Rose_5W1ICDvsCP011102_2_1_3 | CP011102_2_1 | 3 | 19.27656 | 18 | 1 | − 13.15 | |
Rose_5W1ICDvsCP018618_1_1_2 | CP018618_1_1 | 2 | 8.83881 | 18 | 0 | − 13.46 | |
5WLH − 14.06 kcal/mol | RNAC_5WLHvsAP019834_2_2_2 | AP019834_2_2 | 2 | 15.66461 | 2 | 1 | − 15.09 |
RNAC_5WLHvsAP019845_1_1_1 | AP019845_1_1 | 1 | 13.99831 | 10 | 1 | − 13.47 | |
RNAC_5WLHvsCP002345_2_1_4 | CP002345_2_1 | 4 | 14.43221 | 2 | 1 | − 15.07 | |
RNAC_5WLHvsCP011102_2_2_4 | CP011102_2_2 | 4 | 13.4716 | 2 | 0 | − 13.15 | |
Rose_5WLHvsAP019845_1_1_1 | AP019845_1_1 | 1 | 16.64761 | 2 | 1 | − 13.53 | |
Rose_5WLHvsAP019845_1_1_3 | AP019845_1_1 | 3 | 12.08608 | 2 | 1 | − 13.53 | |
Rose_5WLHvsAP019845_1_1_4 | AP019845_1_1 | 4 | 14.27125 | 2 | 1 | − 13.53 | |
Rose_5WLHvsCP002345_2_6_1 | CP002345_2_6 | 1 | 11.24522 | 2 | 0 | − 15.16 | |
Rose_5WLHvsCP002345_2_6_3 | CP002345_2_6 | 3 | 14.17092 | 2 | 0 | − 15.16 | |
Rose_5WLHvsCP002345_2_7_1 | CP002345_2_7 | 1 | 11.88083 | 2 | 0 | − 15.16 | |
Rose_5WLHvsCP011102_3_2_5 | CP011102_3_2 | 5 | 16.4966 | 2 | 1 | − 15.09 | |
5WTK − 11.68 kcal/mol | RNAC_5WTKvsAP019845_1_1_1 | AP019845_1_1 | 1 | 23.34363 | 9 | 1 | − 13.53 |
Rose_5WTKvsAP019845_1_1_1 | AP019845_1_1 | 1 | 3.64798 | 5 | 0 | − 13.53 | |
Rose_5WTKvsAP019845_1_1_2 | AP019845_1_1 | 2 | 1.859212 | 5 | 0 | − 13.53 | |
Rose_5WTKvsAP019845_1_1_3 | AP019845_1_1 | 3 | 3.46364 | 5 | 0 | − 13.53 | |
Rose_5WTKvsCP002345_2_11_8 | CP002345_2_11 | 8 | 4.103924 | 5 | 0 | − 15.06 | |
Rose_5WTKvsCP002345_2_5_1 | CP002345_2_5 | 1 | 9.187617 | 5 | 1 | − 15.16 | |
Rose_5WTKvsCP002345_2_6_1 | CP002345_2_6 | 1 | 2.796534 | 5 | 0 | − 15.06 | |
Rose_5WTKvsCP002345_2_6_2 | CP002345_2_6 | 2 | 2.4628 | 5 | 0 | − 15.06 | |
Rose_5WTKvsCP002345_2_8_1 | CP002345_2_8 | 1 | 5.023773 | 5 | 0 | − 15.02 | |
Rose_5WTKvsCP011102_2_2_1 | CP011102_2_2 | 1 | 6.560322 | 5 | 1 | − 13.15 | |
Rose_5WTKvsCP018618_1_2_8 | CP018618_1_2 | 8 | 5.777393 | 5 | 1 | − 13.56 | |
5XWY − 14.01 kcal/mol | RNAC_5XWYvsAP019845_1_1_1 | AP019845_1_1 | 1 | 10.34585 | 2 | 0 | − 13.53 |
RNAC_5XWYvsAP019845_1_1_3 | AP019845_1_1 | 3 | 14.16364 | 6 | 1 | − 13.53 | |
Rose_5XWYvsCP011102_2_1_10 | CP011102_2_1 | 10 | 17.63066 | 2 | 0 | − 13.15 |