2024-12-06 14:53:51,178 Running colabfold 1.5.5 (a69c85fb950bb5a8936e440e12bdb7d2f358d2e3) 2024-12-06 14:53:51,482 Running on GPU 2024-12-06 14:53:54,829 Found 6 citations for tools or databases 2024-12-06 14:53:54,829 Query 1/1: KBTBD6_AZU1 (length 925) 2024-12-06 14:53:55,106 Sleeping for 5s. Reason: PENDING 2024-12-06 14:54:00,366 Sleeping for 9s. Reason: RUNNING 2024-12-06 14:54:09,628 Sleeping for 6s. Reason: RUNNING 2024-12-06 14:54:15,932 Sleeping for 9s. Reason: RUNNING 2024-12-06 14:54:25,200 Sleeping for 5s. Reason: RUNNING 2024-12-06 14:54:30,455 Sleeping for 5s. Reason: RUNNING 2024-12-06 14:54:35,711 Sleeping for 7s. Reason: RUNNING 2024-12-06 14:54:42,966 Sleeping for 6s. Reason: RUNNING 2024-12-06 14:54:49,221 Sleeping for 10s. Reason: RUNNING 2024-12-06 14:54:59,483 Sleeping for 8s. Reason: RUNNING 2024-12-06 14:55:07,753 Sleeping for 5s. Reason: RUNNING 2024-12-06 14:55:13,007 Sleeping for 9s. Reason: RUNNING 2024-12-06 14:55:22,268 Sleeping for 9s. Reason: RUNNING 2024-12-06 14:55:31,535 Sleeping for 9s. Reason: RUNNING 2024-12-06 14:55:40,798 Sleeping for 10s. Reason: RUNNING 2024-12-06 14:55:51,061 Sleeping for 10s. Reason: RUNNING 2024-12-06 14:56:01,323 Sleeping for 9s. Reason: RUNNING 2024-12-06 14:56:10,580 Sleeping for 9s. Reason: RUNNING 2024-12-06 14:56:19,840 Sleeping for 9s. Reason: RUNNING 2024-12-06 14:56:30,794 Sleeping for 9s. Reason: PENDING 2024-12-06 14:56:40,048 Sleeping for 5s. Reason: RUNNING 2024-12-06 14:56:45,308 Sleeping for 10s. Reason: RUNNING 2024-12-06 14:56:55,568 Sleeping for 8s. Reason: RUNNING 2024-12-06 14:57:03,824 Sleeping for 5s. Reason: RUNNING 2024-12-06 14:57:09,079 Sleeping for 7s. Reason: RUNNING 2024-12-06 14:57:16,336 Sleeping for 10s. Reason: RUNNING 2024-12-06 14:57:26,599 Sleeping for 8s. Reason: RUNNING 2024-12-06 14:57:34,854 Sleeping for 9s. Reason: RUNNING 2024-12-06 14:57:44,111 Sleeping for 7s. Reason: RUNNING 2024-12-06 14:57:51,386 Sleeping for 7s. Reason: RUNNING 2024-12-06 14:57:58,649 Sleeping for 5s. Reason: RUNNING 2024-12-06 14:58:03,906 Sleeping for 5s. Reason: RUNNING 2024-12-06 14:58:09,161 Sleeping for 7s. Reason: RUNNING 2024-12-06 14:58:19,557 Setting max_seq=508, max_extra_seq=2048 2024-12-06 15:01:21,315 alphafold2_multimer_v3_model_1_seed_000 recycle=0 pLDDT=76.4 pTM=0.573 ipTM=0.186 2024-12-06 15:01:40,464 alphafold2_multimer_v3_model_1_seed_000 recycle=1 pLDDT=79.4 pTM=0.67 ipTM=0.479 tol=5.77 2024-12-06 15:01:59,684 alphafold2_multimer_v3_model_1_seed_000 recycle=2 pLDDT=80.9 pTM=0.726 ipTM=0.653 tol=3.22 2024-12-06 15:02:18,933 alphafold2_multimer_v3_model_1_seed_000 recycle=3 pLDDT=80.6 pTM=0.7 ipTM=0.586 tol=0.638 2024-12-06 15:02:38,236 alphafold2_multimer_v3_model_1_seed_000 recycle=4 pLDDT=80.5 pTM=0.707 ipTM=0.588 tol=0.638 2024-12-06 15:02:57,551 alphafold2_multimer_v3_model_1_seed_000 recycle=5 pLDDT=80.4 pTM=0.712 ipTM=0.605 tol=1.41 2024-12-06 15:03:16,880 alphafold2_multimer_v3_model_1_seed_000 recycle=6 pLDDT=80.4 pTM=0.71 ipTM=0.603 tol=0.466 2024-12-06 15:03:16,881 alphafold2_multimer_v3_model_1_seed_000 took 293.7s (6 recycles) 2024-12-06 15:03:36,819 alphafold2_multimer_v3_model_2_seed_000 recycle=0 pLDDT=77.4 pTM=0.653 ipTM=0.518 2024-12-06 15:03:56,247 alphafold2_multimer_v3_model_2_seed_000 recycle=1 pLDDT=80.2 pTM=0.693 ipTM=0.559 tol=6.22 2024-12-06 15:04:15,663 alphafold2_multimer_v3_model_2_seed_000 recycle=2 pLDDT=80.4 pTM=0.692 ipTM=0.567 tol=1.79 2024-12-06 15:04:35,077 alphafold2_multimer_v3_model_2_seed_000 recycle=3 pLDDT=80.5 pTM=0.694 ipTM=0.55 tol=0.669 2024-12-06 15:04:54,497 alphafold2_multimer_v3_model_2_seed_000 recycle=4 pLDDT=80.6 pTM=0.688 ipTM=0.543 tol=0.971 2024-12-06 15:05:13,897 alphafold2_multimer_v3_model_2_seed_000 recycle=5 pLDDT=80.2 pTM=0.695 ipTM=0.533 tol=0.979 2024-12-06 15:05:33,318 alphafold2_multimer_v3_model_2_seed_000 recycle=6 pLDDT=80.4 pTM=0.692 ipTM=0.536 tol=4.04 2024-12-06 15:05:52,711 alphafold2_multimer_v3_model_2_seed_000 recycle=7 pLDDT=80.3 pTM=0.688 ipTM=0.519 tol=0.508 2024-12-06 15:06:12,100 alphafold2_multimer_v3_model_2_seed_000 recycle=8 pLDDT=80.4 pTM=0.688 ipTM=0.532 tol=0.497 2024-12-06 15:06:12,101 alphafold2_multimer_v3_model_2_seed_000 took 174.7s (8 recycles) 2024-12-06 15:06:32,084 alphafold2_multimer_v3_model_3_seed_000 recycle=0 pLDDT=77.9 pTM=0.646 ipTM=0.368 2024-12-06 15:06:51,540 alphafold2_multimer_v3_model_3_seed_000 recycle=1 pLDDT=80.5 pTM=0.726 ipTM=0.535 tol=5.31 2024-12-06 15:07:10,963 alphafold2_multimer_v3_model_3_seed_000 recycle=2 pLDDT=80.8 pTM=0.743 ipTM=0.607 tol=3.82 2024-12-06 15:07:30,414 alphafold2_multimer_v3_model_3_seed_000 recycle=3 pLDDT=80.8 pTM=0.739 ipTM=0.59 tol=1.78 2024-12-06 15:07:49,861 alphafold2_multimer_v3_model_3_seed_000 recycle=4 pLDDT=80.8 pTM=0.746 ipTM=0.615 tol=2.9 2024-12-06 15:08:09,301 alphafold2_multimer_v3_model_3_seed_000 recycle=5 pLDDT=80.9 pTM=0.746 ipTM=0.611 tol=1.62 2024-12-06 15:08:28,740 alphafold2_multimer_v3_model_3_seed_000 recycle=6 pLDDT=80.8 pTM=0.746 ipTM=0.617 tol=1.22 2024-12-06 15:08:48,182 alphafold2_multimer_v3_model_3_seed_000 recycle=7 pLDDT=80.9 pTM=0.745 ipTM=0.614 tol=0.858 2024-12-06 15:09:07,619 alphafold2_multimer_v3_model_3_seed_000 recycle=8 pLDDT=80.9 pTM=0.75 ipTM=0.63 tol=0.746 2024-12-06 15:09:27,072 alphafold2_multimer_v3_model_3_seed_000 recycle=9 pLDDT=81 pTM=0.747 ipTM=0.615 tol=0.826 2024-12-06 15:09:46,516 alphafold2_multimer_v3_model_3_seed_000 recycle=10 pLDDT=81 pTM=0.752 ipTM=0.635 tol=0.8 2024-12-06 15:10:05,968 alphafold2_multimer_v3_model_3_seed_000 recycle=11 pLDDT=81 pTM=0.749 ipTM=0.621 tol=1.14 2024-12-06 15:10:25,415 alphafold2_multimer_v3_model_3_seed_000 recycle=12 pLDDT=80.9 pTM=0.751 ipTM=0.63 tol=0.569 2024-12-06 15:10:44,874 alphafold2_multimer_v3_model_3_seed_000 recycle=13 pLDDT=81.1 pTM=0.748 ipTM=0.618 tol=0.928 2024-12-06 15:11:04,301 alphafold2_multimer_v3_model_3_seed_000 recycle=14 pLDDT=80.8 pTM=0.746 ipTM=0.62 tol=0.64 2024-12-06 15:11:23,732 alphafold2_multimer_v3_model_3_seed_000 recycle=15 pLDDT=80.9 pTM=0.749 ipTM=0.617 tol=6.75 2024-12-06 15:11:43,146 alphafold2_multimer_v3_model_3_seed_000 recycle=16 pLDDT=80.9 pTM=0.751 ipTM=0.625 tol=2.83 2024-12-06 15:12:02,565 alphafold2_multimer_v3_model_3_seed_000 recycle=17 pLDDT=81.1 pTM=0.751 ipTM=0.624 tol=0.42 2024-12-06 15:12:02,565 alphafold2_multimer_v3_model_3_seed_000 took 349.9s (17 recycles) 2024-12-06 15:12:22,558 alphafold2_multimer_v3_model_4_seed_000 recycle=0 pLDDT=74.5 pTM=0.599 ipTM=0.246 2024-12-06 15:12:42,012 alphafold2_multimer_v3_model_4_seed_000 recycle=1 pLDDT=79.1 pTM=0.7 ipTM=0.541 tol=8.48 2024-12-06 15:13:01,455 alphafold2_multimer_v3_model_4_seed_000 recycle=2 pLDDT=79.7 pTM=0.708 ipTM=0.566 tol=4.11 2024-12-06 15:13:20,905 alphafold2_multimer_v3_model_4_seed_000 recycle=3 pLDDT=80.1 pTM=0.723 ipTM=0.584 tol=2.55 2024-12-06 15:13:40,353 alphafold2_multimer_v3_model_4_seed_000 recycle=4 pLDDT=80.2 pTM=0.724 ipTM=0.593 tol=1.93 2024-12-06 15:13:59,805 alphafold2_multimer_v3_model_4_seed_000 recycle=5 pLDDT=80.2 pTM=0.735 ipTM=0.623 tol=2.36 2024-12-06 15:14:19,266 alphafold2_multimer_v3_model_4_seed_000 recycle=6 pLDDT=80.3 pTM=0.736 ipTM=0.622 tol=2.09 2024-12-06 15:14:38,738 alphafold2_multimer_v3_model_4_seed_000 recycle=7 pLDDT=80.6 pTM=0.745 ipTM=0.654 tol=2.16 2024-12-06 15:14:58,181 alphafold2_multimer_v3_model_4_seed_000 recycle=8 pLDDT=80.6 pTM=0.749 ipTM=0.663 tol=2.33 2024-12-06 15:15:17,613 alphafold2_multimer_v3_model_4_seed_000 recycle=9 pLDDT=80.6 pTM=0.75 ipTM=0.681 tol=0.859 2024-12-06 15:15:37,059 alphafold2_multimer_v3_model_4_seed_000 recycle=10 pLDDT=80.8 pTM=0.759 ipTM=0.705 tol=0.472 2024-12-06 15:15:37,060 alphafold2_multimer_v3_model_4_seed_000 took 214.0s (10 recycles) 2024-12-06 15:15:57,063 alphafold2_multimer_v3_model_5_seed_000 recycle=0 pLDDT=76.8 pTM=0.621 ipTM=0.352 2024-12-06 15:16:16,566 alphafold2_multimer_v3_model_5_seed_000 recycle=1 pLDDT=79.2 pTM=0.7 ipTM=0.509 tol=5.2 2024-12-06 15:16:36,057 alphafold2_multimer_v3_model_5_seed_000 recycle=2 pLDDT=79.4 pTM=0.704 ipTM=0.516 tol=3.18 2024-12-06 15:16:55,555 alphafold2_multimer_v3_model_5_seed_000 recycle=3 pLDDT=79.6 pTM=0.707 ipTM=0.525 tol=5.09 2024-12-06 15:17:15,032 alphafold2_multimer_v3_model_5_seed_000 recycle=4 pLDDT=79.9 pTM=0.721 ipTM=0.554 tol=8.67 2024-12-06 15:17:34,517 alphafold2_multimer_v3_model_5_seed_000 recycle=5 pLDDT=80.1 pTM=0.73 ipTM=0.58 tol=2.8 2024-12-06 15:17:53,998 alphafold2_multimer_v3_model_5_seed_000 recycle=6 pLDDT=79.9 pTM=0.727 ipTM=0.574 tol=2.58 2024-12-06 15:18:13,478 alphafold2_multimer_v3_model_5_seed_000 recycle=7 pLDDT=79.9 pTM=0.725 ipTM=0.571 tol=2.1 2024-12-06 15:18:32,961 alphafold2_multimer_v3_model_5_seed_000 recycle=8 pLDDT=80.1 pTM=0.732 ipTM=0.582 tol=0.907 2024-12-06 15:18:52,432 alphafold2_multimer_v3_model_5_seed_000 recycle=9 pLDDT=80 pTM=0.726 ipTM=0.572 tol=0.472 2024-12-06 15:18:52,433 alphafold2_multimer_v3_model_5_seed_000 took 194.8s (9 recycles) 2024-12-06 15:18:52,967 reranking models by 'multimer' metric 2024-12-06 15:18:54,045 Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. 2024-12-06 15:19:37,338 Relaxation took 44.4s 2024-12-06 15:19:37,338 rank_001_alphafold2_multimer_v3_model_4_seed_000 pLDDT=80.8 pTM=0.759 ipTM=0.705 2024-12-06 15:20:25,366 Relaxation took 48.0s 2024-12-06 15:20:25,366 rank_002_alphafold2_multimer_v3_model_3_seed_000 pLDDT=81.1 pTM=0.751 ipTM=0.624 2024-12-06 15:21:05,274 Relaxation took 39.9s 2024-12-06 15:21:05,274 rank_003_alphafold2_multimer_v3_model_1_seed_000 pLDDT=80.4 pTM=0.71 ipTM=0.603 2024-12-06 15:22:04,773 Relaxation took 59.5s 2024-12-06 15:22:04,773 rank_004_alphafold2_multimer_v3_model_5_seed_000 pLDDT=80 pTM=0.726 ipTM=0.572 2024-12-06 15:22:58,305 Relaxation took 53.5s 2024-12-06 15:22:58,305 rank_005_alphafold2_multimer_v3_model_2_seed_000 pLDDT=80.4 pTM=0.688 ipTM=0.532 2024-12-06 15:23:00,231 Done