2024-07-12 04:50:01,135 Running colabfold 1.5.5 (a69c85fb950bb5a8936e440e12bdb7d2f358d2e3) 2024-07-12 04:50:01,479 Running on GPU 2024-07-12 04:50:06,161 Found 6 citations for tools or databases 2024-07-12 04:50:06,162 Query 1/1: PARP9_ARSL (length 1443) 2024-07-12 04:50:06,623 Sleeping for 10s. Reason: PENDING 2024-07-12 04:50:17,053 Sleeping for 6s. Reason: RUNNING 2024-07-12 04:50:23,472 Sleeping for 7s. Reason: RUNNING 2024-07-12 04:50:30,930 Sleeping for 5s. Reason: RUNNING 2024-07-12 04:50:36,341 Sleeping for 10s. Reason: RUNNING 2024-07-12 04:50:46,764 Sleeping for 7s. Reason: RUNNING 2024-07-12 04:50:54,180 Sleeping for 9s. Reason: RUNNING 2024-07-12 04:51:03,605 Sleeping for 7s. Reason: RUNNING 2024-07-12 04:51:11,011 Sleeping for 8s. Reason: RUNNING 2024-07-12 04:51:19,428 Sleeping for 6s. Reason: RUNNING 2024-07-12 04:51:25,841 Sleeping for 9s. Reason: RUNNING 2024-07-12 04:51:35,261 Sleeping for 5s. Reason: RUNNING 2024-07-12 04:51:40,676 Sleeping for 5s. Reason: RUNNING 2024-07-12 04:51:46,091 Sleeping for 9s. Reason: RUNNING 2024-07-12 04:51:55,504 Sleeping for 9s. Reason: RUNNING 2024-07-12 04:52:04,925 Sleeping for 8s. Reason: RUNNING 2024-07-12 04:52:13,374 Sleeping for 10s. Reason: RUNNING 2024-07-12 04:52:23,792 Sleeping for 5s. Reason: RUNNING 2024-07-12 04:52:29,223 Sleeping for 8s. Reason: RUNNING 2024-07-12 04:52:37,649 Sleeping for 5s. Reason: RUNNING 2024-07-12 04:52:43,074 Sleeping for 5s. Reason: RUNNING 2024-07-12 04:52:48,483 Sleeping for 7s. Reason: RUNNING 2024-07-12 04:52:55,906 Sleeping for 7s. Reason: RUNNING 2024-07-12 04:53:03,332 Sleeping for 8s. Reason: RUNNING 2024-07-12 04:53:11,744 Sleeping for 9s. Reason: RUNNING 2024-07-12 04:53:21,158 Sleeping for 10s. Reason: RUNNING 2024-07-12 04:53:31,588 Sleeping for 8s. Reason: RUNNING 2024-07-12 04:53:40,030 Sleeping for 6s. Reason: RUNNING 2024-07-12 04:53:46,454 Sleeping for 10s. Reason: RUNNING 2024-07-12 04:54:01,443 Sleeping for 6s. Reason: PENDING 2024-07-12 04:54:07,868 Sleeping for 7s. Reason: RUNNING 2024-07-12 04:54:15,294 Sleeping for 9s. Reason: RUNNING 2024-07-12 04:54:24,711 Sleeping for 7s. Reason: RUNNING 2024-07-12 04:54:32,147 Sleeping for 6s. Reason: RUNNING 2024-07-12 04:54:38,598 Sleeping for 7s. Reason: RUNNING 2024-07-12 04:54:46,016 Sleeping for 7s. Reason: RUNNING 2024-07-12 04:54:53,443 Sleeping for 8s. Reason: RUNNING 2024-07-12 04:55:01,867 Sleeping for 9s. Reason: RUNNING 2024-07-12 04:55:11,295 Sleeping for 9s. Reason: RUNNING 2024-07-12 04:55:20,725 Sleeping for 8s. Reason: RUNNING 2024-07-12 04:55:29,150 Sleeping for 6s. Reason: RUNNING 2024-07-12 04:55:35,568 Sleeping for 10s. Reason: RUNNING 2024-07-12 04:55:45,994 Sleeping for 10s. Reason: RUNNING 2024-07-12 04:55:56,423 Sleeping for 5s. Reason: RUNNING 2024-07-12 04:56:01,857 Sleeping for 8s. Reason: RUNNING 2024-07-12 04:56:10,284 Sleeping for 9s. Reason: RUNNING 2024-07-12 04:56:29,875 Setting max_seq=508, max_extra_seq=2048 2024-07-12 05:00:53,245 alphafold2_multimer_v3_model_1_seed_000 recycle=0 pLDDT=75.5 pTM=0.472 ipTM=0.175 2024-07-12 05:01:51,863 alphafold2_multimer_v3_model_1_seed_000 recycle=1 pLDDT=75.5 pTM=0.478 ipTM=0.176 tol=8.48 2024-07-12 05:02:50,539 alphafold2_multimer_v3_model_1_seed_000 recycle=2 pLDDT=75.2 pTM=0.478 ipTM=0.177 tol=4.66 2024-07-12 05:03:49,259 alphafold2_multimer_v3_model_1_seed_000 recycle=3 pLDDT=75.9 pTM=0.479 ipTM=0.188 tol=4.68 2024-07-12 05:04:47,925 alphafold2_multimer_v3_model_1_seed_000 recycle=4 pLDDT=77 pTM=0.509 ipTM=0.349 tol=5.04 2024-07-12 05:05:46,602 alphafold2_multimer_v3_model_1_seed_000 recycle=5 pLDDT=79.4 pTM=0.593 ipTM=0.591 tol=5.79 2024-07-12 05:06:45,243 alphafold2_multimer_v3_model_1_seed_000 recycle=6 pLDDT=79.8 pTM=0.601 ipTM=0.616 tol=3.79 2024-07-12 05:07:43,915 alphafold2_multimer_v3_model_1_seed_000 recycle=7 pLDDT=79.6 pTM=0.612 ipTM=0.65 tol=1.45 2024-07-12 05:08:42,573 alphafold2_multimer_v3_model_1_seed_000 recycle=8 pLDDT=79.8 pTM=0.617 ipTM=0.656 tol=1.64 2024-07-12 05:09:41,186 alphafold2_multimer_v3_model_1_seed_000 recycle=9 pLDDT=79.9 pTM=0.621 ipTM=0.678 tol=0.815 2024-07-12 05:10:39,748 alphafold2_multimer_v3_model_1_seed_000 recycle=10 pLDDT=79.9 pTM=0.617 ipTM=0.666 tol=0.985 2024-07-12 05:11:38,331 alphafold2_multimer_v3_model_1_seed_000 recycle=11 pLDDT=79.6 pTM=0.61 ipTM=0.637 tol=0.889 2024-07-12 05:12:36,921 alphafold2_multimer_v3_model_1_seed_000 recycle=12 pLDDT=79.8 pTM=0.61 ipTM=0.646 tol=0.843 2024-07-12 05:13:35,508 alphafold2_multimer_v3_model_1_seed_000 recycle=13 pLDDT=79.6 pTM=0.609 ipTM=0.639 tol=1.36 2024-07-12 05:14:34,086 alphafold2_multimer_v3_model_1_seed_000 recycle=14 pLDDT=79.5 pTM=0.607 ipTM=0.635 tol=1.37 2024-07-12 05:15:32,721 alphafold2_multimer_v3_model_1_seed_000 recycle=15 pLDDT=79.5 pTM=0.611 ipTM=0.644 tol=1.68 2024-07-12 05:16:31,397 alphafold2_multimer_v3_model_1_seed_000 recycle=16 pLDDT=79.8 pTM=0.622 ipTM=0.685 tol=1.46 2024-07-12 05:17:30,057 alphafold2_multimer_v3_model_1_seed_000 recycle=17 pLDDT=79.7 pTM=0.62 ipTM=0.676 tol=1.22 2024-07-12 05:18:28,695 alphafold2_multimer_v3_model_1_seed_000 recycle=18 pLDDT=79.8 pTM=0.624 ipTM=0.687 tol=0.681 2024-07-12 05:19:27,356 alphafold2_multimer_v3_model_1_seed_000 recycle=19 pLDDT=79.9 pTM=0.628 ipTM=0.698 tol=1.24 2024-07-12 05:20:25,998 alphafold2_multimer_v3_model_1_seed_000 recycle=20 pLDDT=79.9 pTM=0.624 ipTM=0.688 tol=1.25 2024-07-12 05:21:24,594 alphafold2_multimer_v3_model_1_seed_000 recycle=21 pLDDT=79.9 pTM=0.625 ipTM=0.69 tol=1.04 2024-07-12 05:22:23,233 alphafold2_multimer_v3_model_1_seed_000 recycle=22 pLDDT=79.8 pTM=0.623 ipTM=0.686 tol=1.16 2024-07-12 05:23:21,875 alphafold2_multimer_v3_model_1_seed_000 recycle=23 pLDDT=79.8 pTM=0.619 ipTM=0.674 tol=1.05 2024-07-12 05:24:20,524 alphafold2_multimer_v3_model_1_seed_000 recycle=24 pLDDT=79.6 pTM=0.615 ipTM=0.661 tol=0.928 2024-07-12 05:25:19,191 alphafold2_multimer_v3_model_1_seed_000 recycle=25 pLDDT=79.8 pTM=0.618 ipTM=0.664 tol=0.828 2024-07-12 05:26:17,801 alphafold2_multimer_v3_model_1_seed_000 recycle=26 pLDDT=79.8 pTM=0.62 ipTM=0.673 tol=1.28 2024-07-12 05:27:16,381 alphafold2_multimer_v3_model_1_seed_000 recycle=27 pLDDT=79.7 pTM=0.615 ipTM=0.665 tol=0.903 2024-07-12 05:28:14,975 alphafold2_multimer_v3_model_1_seed_000 recycle=28 pLDDT=79.5 pTM=0.609 ipTM=0.642 tol=1.48 2024-07-12 05:29:13,552 alphafold2_multimer_v3_model_1_seed_000 recycle=29 pLDDT=79.4 pTM=0.604 ipTM=0.63 tol=0.975 2024-07-12 05:30:12,145 alphafold2_multimer_v3_model_1_seed_000 recycle=30 pLDDT=79.2 pTM=0.591 ipTM=0.586 tol=0.82 2024-07-12 05:30:12,147 alphafold2_multimer_v3_model_1_seed_000 took 1976.1s (30 recycles) 2024-07-12 05:31:12,100 alphafold2_multimer_v3_model_2_seed_000 recycle=0 pLDDT=76.2 pTM=0.47 ipTM=0.199 2024-07-12 05:32:10,794 alphafold2_multimer_v3_model_2_seed_000 recycle=1 pLDDT=80.2 pTM=0.62 ipTM=0.684 tol=7.8 2024-07-12 05:33:09,611 alphafold2_multimer_v3_model_2_seed_000 recycle=2 pLDDT=80.4 pTM=0.604 ipTM=0.605 tol=5.17 2024-07-12 05:34:08,380 alphafold2_multimer_v3_model_2_seed_000 recycle=3 pLDDT=80.4 pTM=0.609 ipTM=0.634 tol=2.53 2024-07-12 05:35:07,143 alphafold2_multimer_v3_model_2_seed_000 recycle=4 pLDDT=80.6 pTM=0.609 ipTM=0.62 tol=2.81 2024-07-12 05:36:05,890 alphafold2_multimer_v3_model_2_seed_000 recycle=5 pLDDT=80.4 pTM=0.595 ipTM=0.589 tol=1.54 2024-07-12 05:37:04,601 alphafold2_multimer_v3_model_2_seed_000 recycle=6 pLDDT=80.3 pTM=0.591 ipTM=0.575 tol=1.08 2024-07-12 05:38:03,368 alphafold2_multimer_v3_model_2_seed_000 recycle=7 pLDDT=80.3 pTM=0.59 ipTM=0.575 tol=1.48 2024-07-12 05:39:02,053 alphafold2_multimer_v3_model_2_seed_000 recycle=8 pLDDT=80.4 pTM=0.597 ipTM=0.59 tol=1.94 2024-07-12 05:40:00,733 alphafold2_multimer_v3_model_2_seed_000 recycle=9 pLDDT=80.4 pTM=0.601 ipTM=0.603 tol=1.34 2024-07-12 05:40:59,416 alphafold2_multimer_v3_model_2_seed_000 recycle=10 pLDDT=80.4 pTM=0.59 ipTM=0.58 tol=1.84 2024-07-12 05:41:58,084 alphafold2_multimer_v3_model_2_seed_000 recycle=11 pLDDT=80.1 pTM=0.584 ipTM=0.57 tol=2.1 2024-07-12 05:42:56,832 alphafold2_multimer_v3_model_2_seed_000 recycle=12 pLDDT=80.2 pTM=0.591 ipTM=0.582 tol=2.15 2024-07-12 05:43:55,545 alphafold2_multimer_v3_model_2_seed_000 recycle=13 pLDDT=80.4 pTM=0.592 ipTM=0.576 tol=3.36 2024-07-12 05:44:54,242 alphafold2_multimer_v3_model_2_seed_000 recycle=14 pLDDT=80.1 pTM=0.587 ipTM=0.569 tol=3.24 2024-07-12 05:45:52,859 alphafold2_multimer_v3_model_2_seed_000 recycle=15 pLDDT=80.5 pTM=0.602 ipTM=0.598 tol=1.85 2024-07-12 05:46:51,450 alphafold2_multimer_v3_model_2_seed_000 recycle=16 pLDDT=80.9 pTM=0.619 ipTM=0.649 tol=1.04 2024-07-12 05:47:50,125 alphafold2_multimer_v3_model_2_seed_000 recycle=17 pLDDT=80.8 pTM=0.616 ipTM=0.64 tol=0.78 2024-07-12 05:48:48,763 alphafold2_multimer_v3_model_2_seed_000 recycle=18 pLDDT=80.9 pTM=0.624 ipTM=0.66 tol=0.626 2024-07-12 05:49:47,438 alphafold2_multimer_v3_model_2_seed_000 recycle=19 pLDDT=80.9 pTM=0.624 ipTM=0.663 tol=1.03 2024-07-12 05:50:46,052 alphafold2_multimer_v3_model_2_seed_000 recycle=20 pLDDT=80.9 pTM=0.622 ipTM=0.66 tol=0.761 2024-07-12 05:51:44,711 alphafold2_multimer_v3_model_2_seed_000 recycle=21 pLDDT=81 pTM=0.626 ipTM=0.669 tol=0.546 2024-07-12 05:52:43,379 alphafold2_multimer_v3_model_2_seed_000 recycle=22 pLDDT=80.9 pTM=0.626 ipTM=0.672 tol=0.928 2024-07-12 05:53:41,976 alphafold2_multimer_v3_model_2_seed_000 recycle=23 pLDDT=80.8 pTM=0.617 ipTM=0.645 tol=0.857 2024-07-12 05:54:40,575 alphafold2_multimer_v3_model_2_seed_000 recycle=24 pLDDT=80.6 pTM=0.612 ipTM=0.633 tol=1.04 2024-07-12 05:55:39,170 alphafold2_multimer_v3_model_2_seed_000 recycle=25 pLDDT=80.6 pTM=0.612 ipTM=0.633 tol=1.37 2024-07-12 05:56:37,832 alphafold2_multimer_v3_model_2_seed_000 recycle=26 pLDDT=80.6 pTM=0.611 ipTM=0.63 tol=1.27 2024-07-12 05:57:36,425 alphafold2_multimer_v3_model_2_seed_000 recycle=27 pLDDT=80.5 pTM=0.606 ipTM=0.614 tol=0.904 2024-07-12 05:58:35,096 alphafold2_multimer_v3_model_2_seed_000 recycle=28 pLDDT=80.3 pTM=0.597 ipTM=0.592 tol=0.776 2024-07-12 05:59:33,783 alphafold2_multimer_v3_model_2_seed_000 recycle=29 pLDDT=80.1 pTM=0.586 ipTM=0.578 tol=0.678 2024-07-12 06:00:32,412 alphafold2_multimer_v3_model_2_seed_000 recycle=30 pLDDT=79.8 pTM=0.565 ipTM=0.532 tol=1.74 2024-07-12 06:00:32,413 alphafold2_multimer_v3_model_2_seed_000 took 1819.0s (30 recycles) 2024-07-12 06:01:32,488 alphafold2_multimer_v3_model_3_seed_000 recycle=0 pLDDT=77.4 pTM=0.461 ipTM=0.166 2024-07-12 06:02:31,383 alphafold2_multimer_v3_model_3_seed_000 recycle=1 pLDDT=77.6 pTM=0.468 ipTM=0.174 tol=10.7 2024-07-12 06:03:30,223 alphafold2_multimer_v3_model_3_seed_000 recycle=2 pLDDT=76.9 pTM=0.469 ipTM=0.209 tol=9.02 2024-07-12 06:04:29,081 alphafold2_multimer_v3_model_3_seed_000 recycle=3 pLDDT=77 pTM=0.467 ipTM=0.22 tol=5.55 2024-07-12 06:05:27,866 alphafold2_multimer_v3_model_3_seed_000 recycle=4 pLDDT=77.8 pTM=0.473 ipTM=0.243 tol=5.6 2024-07-12 06:06:26,681 alphafold2_multimer_v3_model_3_seed_000 recycle=5 pLDDT=77.3 pTM=0.467 ipTM=0.232 tol=5.78 2024-07-12 06:07:25,439 alphafold2_multimer_v3_model_3_seed_000 recycle=6 pLDDT=77.6 pTM=0.468 ipTM=0.226 tol=6.09 2024-07-12 06:08:24,158 alphafold2_multimer_v3_model_3_seed_000 recycle=7 pLDDT=77.3 pTM=0.468 ipTM=0.233 tol=5.89 2024-07-12 06:09:22,997 alphafold2_multimer_v3_model_3_seed_000 recycle=8 pLDDT=77.5 pTM=0.466 ipTM=0.225 tol=4.39 2024-07-12 06:10:21,775 alphafold2_multimer_v3_model_3_seed_000 recycle=9 pLDDT=77.2 pTM=0.467 ipTM=0.235 tol=5.53 2024-07-12 06:11:20,547 alphafold2_multimer_v3_model_3_seed_000 recycle=10 pLDDT=77.6 pTM=0.469 ipTM=0.227 tol=3.5 2024-07-12 06:12:19,278 alphafold2_multimer_v3_model_3_seed_000 recycle=11 pLDDT=77.2 pTM=0.47 ipTM=0.245 tol=3.51 2024-07-12 06:13:17,972 alphafold2_multimer_v3_model_3_seed_000 recycle=12 pLDDT=78.1 pTM=0.486 ipTM=0.283 tol=13.4 2024-07-12 06:14:16,691 alphafold2_multimer_v3_model_3_seed_000 recycle=13 pLDDT=78.3 pTM=0.475 ipTM=0.235 tol=6.44 2024-07-12 06:15:15,409 alphafold2_multimer_v3_model_3_seed_000 recycle=14 pLDDT=77.8 pTM=0.472 ipTM=0.251 tol=3.02 2024-07-12 06:16:14,149 alphafold2_multimer_v3_model_3_seed_000 recycle=15 pLDDT=78.1 pTM=0.475 ipTM=0.245 tol=2.37 2024-07-12 06:17:12,879 alphafold2_multimer_v3_model_3_seed_000 recycle=16 pLDDT=77.8 pTM=0.472 ipTM=0.247 tol=2.27 2024-07-12 06:18:11,668 alphafold2_multimer_v3_model_3_seed_000 recycle=17 pLDDT=77.4 pTM=0.47 ipTM=0.239 tol=2.62 2024-07-12 06:19:10,441 alphafold2_multimer_v3_model_3_seed_000 recycle=18 pLDDT=77.9 pTM=0.469 ipTM=0.225 tol=1.92 2024-07-12 06:20:09,209 alphafold2_multimer_v3_model_3_seed_000 recycle=19 pLDDT=77.4 pTM=0.471 ipTM=0.24 tol=2.35 2024-07-12 06:21:07,907 alphafold2_multimer_v3_model_3_seed_000 recycle=20 pLDDT=77.8 pTM=0.472 ipTM=0.242 tol=2.26 2024-07-12 06:22:06,683 alphafold2_multimer_v3_model_3_seed_000 recycle=21 pLDDT=77.6 pTM=0.47 ipTM=0.241 tol=1.78 2024-07-12 06:23:05,409 alphafold2_multimer_v3_model_3_seed_000 recycle=22 pLDDT=77.8 pTM=0.476 ipTM=0.251 tol=2.76 2024-07-12 06:24:04,162 alphafold2_multimer_v3_model_3_seed_000 recycle=23 pLDDT=77.9 pTM=0.474 ipTM=0.244 tol=1.53 2024-07-12 06:25:02,935 alphafold2_multimer_v3_model_3_seed_000 recycle=24 pLDDT=77.6 pTM=0.477 ipTM=0.259 tol=2.44 2024-07-12 06:26:01,690 alphafold2_multimer_v3_model_3_seed_000 recycle=25 pLDDT=78 pTM=0.475 ipTM=0.244 tol=2.24 2024-07-12 06:27:00,446 alphafold2_multimer_v3_model_3_seed_000 recycle=26 pLDDT=77.8 pTM=0.478 ipTM=0.26 tol=2.42 2024-07-12 06:27:59,209 alphafold2_multimer_v3_model_3_seed_000 recycle=27 pLDDT=77.9 pTM=0.474 ipTM=0.246 tol=1.69 2024-07-12 06:28:57,886 alphafold2_multimer_v3_model_3_seed_000 recycle=28 pLDDT=77.8 pTM=0.483 ipTM=0.271 tol=1.68 2024-07-12 06:29:56,639 alphafold2_multimer_v3_model_3_seed_000 recycle=29 pLDDT=77.9 pTM=0.472 ipTM=0.242 tol=2.05 2024-07-12 06:30:55,292 alphafold2_multimer_v3_model_3_seed_000 recycle=30 pLDDT=77.8 pTM=0.478 ipTM=0.264 tol=1.94 2024-07-12 06:30:55,294 alphafold2_multimer_v3_model_3_seed_000 took 1821.6s (30 recycles) 2024-07-12 06:31:55,334 alphafold2_multimer_v3_model_4_seed_000 recycle=0 pLDDT=76.2 pTM=0.464 ipTM=0.171 2024-07-12 06:32:54,214 alphafold2_multimer_v3_model_4_seed_000 recycle=1 pLDDT=76.9 pTM=0.466 ipTM=0.206 tol=14.6 2024-07-12 06:33:53,076 alphafold2_multimer_v3_model_4_seed_000 recycle=2 pLDDT=77.1 pTM=0.471 ipTM=0.22 tol=6.03 2024-07-12 06:34:51,924 alphafold2_multimer_v3_model_4_seed_000 recycle=3 pLDDT=77.4 pTM=0.473 ipTM=0.218 tol=4.36 2024-07-12 06:35:50,763 alphafold2_multimer_v3_model_4_seed_000 recycle=4 pLDDT=77.4 pTM=0.474 ipTM=0.218 tol=3.12 2024-07-12 06:36:49,592 alphafold2_multimer_v3_model_4_seed_000 recycle=5 pLDDT=77.3 pTM=0.478 ipTM=0.232 tol=3.11 2024-07-12 06:37:48,422 alphafold2_multimer_v3_model_4_seed_000 recycle=6 pLDDT=77.4 pTM=0.476 ipTM=0.221 tol=1.66 2024-07-12 06:38:47,290 alphafold2_multimer_v3_model_4_seed_000 recycle=7 pLDDT=77.7 pTM=0.473 ipTM=0.214 tol=3.06 2024-07-12 06:39:46,129 alphafold2_multimer_v3_model_4_seed_000 recycle=8 pLDDT=77.5 pTM=0.474 ipTM=0.213 tol=3.4 2024-07-12 06:40:44,969 alphafold2_multimer_v3_model_4_seed_000 recycle=9 pLDDT=77.6 pTM=0.475 ipTM=0.226 tol=1.74 2024-07-12 06:41:43,781 alphafold2_multimer_v3_model_4_seed_000 recycle=10 pLDDT=77.6 pTM=0.476 ipTM=0.221 tol=1.82 2024-07-12 06:42:42,594 alphafold2_multimer_v3_model_4_seed_000 recycle=11 pLDDT=77.5 pTM=0.478 ipTM=0.237 tol=2.3 2024-07-12 06:43:41,409 alphafold2_multimer_v3_model_4_seed_000 recycle=12 pLDDT=77.6 pTM=0.475 ipTM=0.222 tol=2.35 2024-07-12 06:44:40,233 alphafold2_multimer_v3_model_4_seed_000 recycle=13 pLDDT=77.6 pTM=0.475 ipTM=0.221 tol=2.02 2024-07-12 06:45:39,077 alphafold2_multimer_v3_model_4_seed_000 recycle=14 pLDDT=77.4 pTM=0.474 ipTM=0.22 tol=2.96 2024-07-12 06:46:37,878 alphafold2_multimer_v3_model_4_seed_000 recycle=15 pLDDT=77.5 pTM=0.476 ipTM=0.228 tol=3.24 2024-07-12 06:47:36,664 alphafold2_multimer_v3_model_4_seed_000 recycle=16 pLDDT=77.4 pTM=0.474 ipTM=0.22 tol=2.71 2024-07-12 06:48:35,492 alphafold2_multimer_v3_model_4_seed_000 recycle=17 pLDDT=77.4 pTM=0.472 ipTM=0.217 tol=2.77 2024-07-12 06:49:34,295 alphafold2_multimer_v3_model_4_seed_000 recycle=18 pLDDT=77.4 pTM=0.474 ipTM=0.222 tol=2.71 2024-07-12 06:50:33,090 alphafold2_multimer_v3_model_4_seed_000 recycle=19 pLDDT=77.5 pTM=0.476 ipTM=0.225 tol=2.18 2024-07-12 06:51:31,825 alphafold2_multimer_v3_model_4_seed_000 recycle=20 pLDDT=77.5 pTM=0.475 ipTM=0.224 tol=2.19 2024-07-12 06:52:30,633 alphafold2_multimer_v3_model_4_seed_000 recycle=21 pLDDT=77.5 pTM=0.478 ipTM=0.235 tol=3.12 2024-07-12 06:53:29,431 alphafold2_multimer_v3_model_4_seed_000 recycle=22 pLDDT=77.3 pTM=0.474 ipTM=0.223 tol=3.86 2024-07-12 06:54:28,225 alphafold2_multimer_v3_model_4_seed_000 recycle=23 pLDDT=77.9 pTM=0.471 ipTM=0.218 tol=3.9 2024-07-12 06:55:27,043 alphafold2_multimer_v3_model_4_seed_000 recycle=24 pLDDT=77.4 pTM=0.473 ipTM=0.22 tol=3.47 2024-07-12 06:56:25,908 alphafold2_multimer_v3_model_4_seed_000 recycle=25 pLDDT=77.5 pTM=0.472 ipTM=0.222 tol=2.21 2024-07-12 06:57:24,658 alphafold2_multimer_v3_model_4_seed_000 recycle=26 pLDDT=77.4 pTM=0.474 ipTM=0.225 tol=2.46 2024-07-12 06:58:23,362 alphafold2_multimer_v3_model_4_seed_000 recycle=27 pLDDT=77.6 pTM=0.489 ipTM=0.274 tol=3.1 2024-07-12 06:59:22,079 alphafold2_multimer_v3_model_4_seed_000 recycle=28 pLDDT=78.1 pTM=0.504 ipTM=0.326 tol=2.9 2024-07-12 07:00:20,853 alphafold2_multimer_v3_model_4_seed_000 recycle=29 pLDDT=77.6 pTM=0.483 ipTM=0.262 tol=2.37 2024-07-12 07:01:19,625 alphafold2_multimer_v3_model_4_seed_000 recycle=30 pLDDT=77.4 pTM=0.476 ipTM=0.231 tol=3.28 2024-07-12 07:01:19,626 alphafold2_multimer_v3_model_4_seed_000 took 1823.1s (30 recycles) 2024-07-12 07:02:19,983 alphafold2_multimer_v3_model_5_seed_000 recycle=0 pLDDT=76 pTM=0.476 ipTM=0.212 2024-07-12 07:03:18,836 alphafold2_multimer_v3_model_5_seed_000 recycle=1 pLDDT=77.2 pTM=0.476 ipTM=0.221 tol=12.9 2024-07-12 07:04:17,544 alphafold2_multimer_v3_model_5_seed_000 recycle=2 pLDDT=77.4 pTM=0.507 ipTM=0.32 tol=3.43 2024-07-12 07:05:16,369 alphafold2_multimer_v3_model_5_seed_000 recycle=3 pLDDT=77.6 pTM=0.472 ipTM=0.241 tol=3.25 2024-07-12 07:06:15,093 alphafold2_multimer_v3_model_5_seed_000 recycle=4 pLDDT=77.8 pTM=0.512 ipTM=0.334 tol=2.17 2024-07-12 07:07:13,860 alphafold2_multimer_v3_model_5_seed_000 recycle=5 pLDDT=78 pTM=0.492 ipTM=0.256 tol=2.77 2024-07-12 07:08:12,691 alphafold2_multimer_v3_model_5_seed_000 recycle=6 pLDDT=77.7 pTM=0.473 ipTM=0.229 tol=5.96 2024-07-12 07:09:11,417 alphafold2_multimer_v3_model_5_seed_000 recycle=7 pLDDT=77.8 pTM=0.471 ipTM=0.235 tol=3.78 2024-07-12 07:10:10,221 alphafold2_multimer_v3_model_5_seed_000 recycle=8 pLDDT=77.8 pTM=0.479 ipTM=0.243 tol=3.63 2024-07-12 07:11:08,963 alphafold2_multimer_v3_model_5_seed_000 recycle=9 pLDDT=78.2 pTM=0.49 ipTM=0.26 tol=4.46 2024-07-12 07:12:07,701 alphafold2_multimer_v3_model_5_seed_000 recycle=10 pLDDT=77.9 pTM=0.489 ipTM=0.282 tol=1.3 2024-07-12 07:13:06,461 alphafold2_multimer_v3_model_5_seed_000 recycle=11 pLDDT=77.8 pTM=0.478 ipTM=0.247 tol=1.73 2024-07-12 07:14:05,253 alphafold2_multimer_v3_model_5_seed_000 recycle=12 pLDDT=77.6 pTM=0.483 ipTM=0.256 tol=1.93 2024-07-12 07:15:04,031 alphafold2_multimer_v3_model_5_seed_000 recycle=13 pLDDT=77.8 pTM=0.479 ipTM=0.246 tol=1.99 2024-07-12 07:16:02,770 alphafold2_multimer_v3_model_5_seed_000 recycle=14 pLDDT=77.8 pTM=0.506 ipTM=0.325 tol=2.04 2024-07-12 07:17:01,539 alphafold2_multimer_v3_model_5_seed_000 recycle=15 pLDDT=77.9 pTM=0.483 ipTM=0.241 tol=1.54 2024-07-12 07:18:00,225 alphafold2_multimer_v3_model_5_seed_000 recycle=16 pLDDT=77.6 pTM=0.491 ipTM=0.288 tol=1.61 2024-07-12 07:18:58,997 alphafold2_multimer_v3_model_5_seed_000 recycle=17 pLDDT=77.8 pTM=0.479 ipTM=0.24 tol=1.34 2024-07-12 07:19:57,709 alphafold2_multimer_v3_model_5_seed_000 recycle=18 pLDDT=77.6 pTM=0.505 ipTM=0.32 tol=1.52 2024-07-12 07:20:56,423 alphafold2_multimer_v3_model_5_seed_000 recycle=19 pLDDT=77.9 pTM=0.49 ipTM=0.265 tol=1.57 2024-07-12 07:21:55,144 alphafold2_multimer_v3_model_5_seed_000 recycle=20 pLDDT=77.6 pTM=0.485 ipTM=0.266 tol=1.91 2024-07-12 07:22:53,786 alphafold2_multimer_v3_model_5_seed_000 recycle=21 pLDDT=77.8 pTM=0.505 ipTM=0.321 tol=1.97 2024-07-12 07:23:52,446 alphafold2_multimer_v3_model_5_seed_000 recycle=22 pLDDT=77.4 pTM=0.492 ipTM=0.298 tol=10.3 2024-07-12 07:24:51,256 alphafold2_multimer_v3_model_5_seed_000 recycle=23 pLDDT=77.9 pTM=0.48 ipTM=0.269 tol=4.77 2024-07-12 07:25:50,051 alphafold2_multimer_v3_model_5_seed_000 recycle=24 pLDDT=77.6 pTM=0.471 ipTM=0.23 tol=4.32 2024-07-12 07:26:48,836 alphafold2_multimer_v3_model_5_seed_000 recycle=25 pLDDT=77.8 pTM=0.474 ipTM=0.247 tol=4.25 2024-07-12 07:27:47,664 alphafold2_multimer_v3_model_5_seed_000 recycle=26 pLDDT=77.5 pTM=0.473 ipTM=0.233 tol=3.71 2024-07-12 07:28:46,487 alphafold2_multimer_v3_model_5_seed_000 recycle=27 pLDDT=77.6 pTM=0.47 ipTM=0.227 tol=4 2024-07-12 07:29:45,294 alphafold2_multimer_v3_model_5_seed_000 recycle=28 pLDDT=77.3 pTM=0.474 ipTM=0.233 tol=2.2 2024-07-12 07:30:44,069 alphafold2_multimer_v3_model_5_seed_000 recycle=29 pLDDT=77.6 pTM=0.472 ipTM=0.229 tol=2.23 2024-07-12 07:31:42,787 alphafold2_multimer_v3_model_5_seed_000 recycle=30 pLDDT=77.5 pTM=0.477 ipTM=0.238 tol=3.51 2024-07-12 07:31:42,789 alphafold2_multimer_v3_model_5_seed_000 took 1821.5s (30 recycles) 2024-07-12 07:31:44,019 reranking models by 'multimer' metric 2024-07-12 07:31:47,343 Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. 2024-07-12 07:33:39,321 Relaxation took 115.3s 2024-07-12 07:33:39,321 rank_001_alphafold2_multimer_v3_model_1_seed_000 pLDDT=79.2 pTM=0.591 ipTM=0.586 2024-07-12 07:34:56,249 Relaxation took 76.9s 2024-07-12 07:34:56,250 rank_002_alphafold2_multimer_v3_model_2_seed_000 pLDDT=79.8 pTM=0.565 ipTM=0.532 2024-07-12 07:38:05,173 Relaxation took 188.9s 2024-07-12 07:38:05,173 rank_003_alphafold2_multimer_v3_model_3_seed_000 pLDDT=77.8 pTM=0.478 ipTM=0.264 2024-07-12 07:41:34,164 Relaxation took 209.0s 2024-07-12 07:41:34,165 rank_004_alphafold2_multimer_v3_model_5_seed_000 pLDDT=77.5 pTM=0.477 ipTM=0.238 2024-07-12 07:42:50,027 Relaxation took 75.9s 2024-07-12 07:42:50,027 rank_005_alphafold2_multimer_v3_model_4_seed_000 pLDDT=77.4 pTM=0.476 ipTM=0.231 2024-07-12 07:42:58,118 Done