2024-12-04 22:28:46,339 Running colabfold 1.5.5 (a69c85fb950bb5a8936e440e12bdb7d2f358d2e3) 2024-12-04 22:28:46,641 Running on GPU 2024-12-04 22:28:52,016 Found 6 citations for tools or databases 2024-12-04 22:28:52,016 Query 1/1: ASB9_TCEB1 (length 406) 2024-12-04 22:28:52,309 Sleeping for 6s. Reason: PENDING 2024-12-04 22:28:58,710 Sleeping for 9s. Reason: RUNNING 2024-12-04 22:29:07,967 Sleeping for 8s. Reason: RUNNING 2024-12-04 22:29:16,225 Sleeping for 9s. Reason: RUNNING 2024-12-04 22:29:25,485 Sleeping for 10s. Reason: RUNNING 2024-12-04 22:29:35,747 Sleeping for 10s. Reason: RUNNING 2024-12-04 22:29:46,007 Sleeping for 6s. Reason: RUNNING 2024-12-04 22:29:52,263 Sleeping for 9s. Reason: RUNNING 2024-12-04 22:30:01,522 Sleeping for 8s. Reason: RUNNING 2024-12-04 22:30:09,783 Sleeping for 9s. Reason: RUNNING 2024-12-04 22:30:19,039 Sleeping for 5s. Reason: RUNNING 2024-12-04 22:30:25,753 Sleeping for 6s. Reason: PENDING 2024-12-04 22:30:32,011 Sleeping for 9s. Reason: RUNNING 2024-12-04 22:30:41,267 Sleeping for 6s. Reason: RUNNING 2024-12-04 22:30:47,519 Sleeping for 7s. Reason: RUNNING 2024-12-04 22:30:54,775 Sleeping for 6s. Reason: RUNNING 2024-12-04 22:31:01,026 Sleeping for 6s. Reason: RUNNING 2024-12-04 22:31:07,426 Sleeping for 7s. Reason: RUNNING 2024-12-04 22:31:16,733 Setting max_seq=508, max_extra_seq=2048 2024-12-04 22:33:50,579 alphafold2_multimer_v3_model_1_seed_000 recycle=0 pLDDT=85.6 pTM=0.805 ipTM=0.835 2024-12-04 22:33:54,813 alphafold2_multimer_v3_model_1_seed_000 recycle=1 pLDDT=86.4 pTM=0.806 ipTM=0.839 tol=1.01 2024-12-04 22:33:59,042 alphafold2_multimer_v3_model_1_seed_000 recycle=2 pLDDT=86.8 pTM=0.81 ipTM=0.839 tol=0.576 2024-12-04 22:34:03,272 alphafold2_multimer_v3_model_1_seed_000 recycle=3 pLDDT=87.1 pTM=0.812 ipTM=0.841 tol=0.685 2024-12-04 22:34:07,502 alphafold2_multimer_v3_model_1_seed_000 recycle=4 pLDDT=87.2 pTM=0.815 ipTM=0.841 tol=0.626 2024-12-04 22:34:11,734 alphafold2_multimer_v3_model_1_seed_000 recycle=5 pLDDT=87.4 pTM=0.818 ipTM=0.842 tol=0.857 2024-12-04 22:34:15,980 alphafold2_multimer_v3_model_1_seed_000 recycle=6 pLDDT=87.6 pTM=0.821 ipTM=0.844 tol=0.789 2024-12-04 22:34:20,218 alphafold2_multimer_v3_model_1_seed_000 recycle=7 pLDDT=87.4 pTM=0.82 ipTM=0.84 tol=0.601 2024-12-04 22:34:24,472 alphafold2_multimer_v3_model_1_seed_000 recycle=8 pLDDT=87.6 pTM=0.822 ipTM=0.842 tol=0.968 2024-12-04 22:34:28,710 alphafold2_multimer_v3_model_1_seed_000 recycle=9 pLDDT=87.5 pTM=0.82 ipTM=0.841 tol=0.484 2024-12-04 22:34:28,711 alphafold2_multimer_v3_model_1_seed_000 took 185.8s (9 recycles) 2024-12-04 22:34:33,101 alphafold2_multimer_v3_model_2_seed_000 recycle=0 pLDDT=85.6 pTM=0.812 ipTM=0.845 2024-12-04 22:34:37,407 alphafold2_multimer_v3_model_2_seed_000 recycle=1 pLDDT=87.1 pTM=0.825 ipTM=0.846 tol=2.29 2024-12-04 22:34:41,712 alphafold2_multimer_v3_model_2_seed_000 recycle=2 pLDDT=87.4 pTM=0.828 ipTM=0.842 tol=1.03 2024-12-04 22:34:45,999 alphafold2_multimer_v3_model_2_seed_000 recycle=3 pLDDT=87.4 pTM=0.827 ipTM=0.844 tol=1.39 2024-12-04 22:34:50,296 alphafold2_multimer_v3_model_2_seed_000 recycle=4 pLDDT=87.6 pTM=0.827 ipTM=0.843 tol=0.965 2024-12-04 22:34:54,587 alphafold2_multimer_v3_model_2_seed_000 recycle=5 pLDDT=87.5 pTM=0.828 ipTM=0.843 tol=0.862 2024-12-04 22:34:58,883 alphafold2_multimer_v3_model_2_seed_000 recycle=6 pLDDT=87.6 pTM=0.827 ipTM=0.844 tol=0.797 2024-12-04 22:35:03,181 alphafold2_multimer_v3_model_2_seed_000 recycle=7 pLDDT=87.6 pTM=0.828 ipTM=0.84 tol=0.68 2024-12-04 22:35:07,483 alphafold2_multimer_v3_model_2_seed_000 recycle=8 pLDDT=87.7 pTM=0.829 ipTM=0.841 tol=1.01 2024-12-04 22:35:11,777 alphafold2_multimer_v3_model_2_seed_000 recycle=9 pLDDT=87.5 pTM=0.826 ipTM=0.839 tol=0.838 2024-12-04 22:35:16,077 alphafold2_multimer_v3_model_2_seed_000 recycle=10 pLDDT=87.5 pTM=0.827 ipTM=0.841 tol=1.19 2024-12-04 22:35:20,369 alphafold2_multimer_v3_model_2_seed_000 recycle=11 pLDDT=87.4 pTM=0.826 ipTM=0.839 tol=0.914 2024-12-04 22:35:24,669 alphafold2_multimer_v3_model_2_seed_000 recycle=12 pLDDT=87.5 pTM=0.828 ipTM=0.84 tol=0.428 2024-12-04 22:35:24,671 alphafold2_multimer_v3_model_2_seed_000 took 55.8s (12 recycles) 2024-12-04 22:35:29,073 alphafold2_multimer_v3_model_3_seed_000 recycle=0 pLDDT=85.8 pTM=0.813 ipTM=0.843 2024-12-04 22:35:33,409 alphafold2_multimer_v3_model_3_seed_000 recycle=1 pLDDT=87.4 pTM=0.832 ipTM=0.85 tol=4.82 2024-12-04 22:35:37,745 alphafold2_multimer_v3_model_3_seed_000 recycle=2 pLDDT=87.6 pTM=0.835 ipTM=0.849 tol=0.412 2024-12-04 22:35:37,745 alphafold2_multimer_v3_model_3_seed_000 took 13.0s (2 recycles) 2024-12-04 22:35:42,156 alphafold2_multimer_v3_model_4_seed_000 recycle=0 pLDDT=86.1 pTM=0.815 ipTM=0.831 2024-12-04 22:35:46,444 alphafold2_multimer_v3_model_4_seed_000 recycle=1 pLDDT=86.3 pTM=0.808 ipTM=0.837 tol=2.57 2024-12-04 22:35:50,756 alphafold2_multimer_v3_model_4_seed_000 recycle=2 pLDDT=87.2 pTM=0.824 ipTM=0.841 tol=3.53 2024-12-04 22:35:55,062 alphafold2_multimer_v3_model_4_seed_000 recycle=3 pLDDT=87.4 pTM=0.827 ipTM=0.842 tol=0.93 2024-12-04 22:35:59,371 alphafold2_multimer_v3_model_4_seed_000 recycle=4 pLDDT=87.4 pTM=0.829 ipTM=0.841 tol=2.38 2024-12-04 22:36:03,684 alphafold2_multimer_v3_model_4_seed_000 recycle=5 pLDDT=87.4 pTM=0.828 ipTM=0.842 tol=0.5 2024-12-04 22:36:03,685 alphafold2_multimer_v3_model_4_seed_000 took 25.8s (5 recycles) 2024-12-04 22:36:08,083 alphafold2_multimer_v3_model_5_seed_000 recycle=0 pLDDT=85.7 pTM=0.818 ipTM=0.847 2024-12-04 22:36:12,406 alphafold2_multimer_v3_model_5_seed_000 recycle=1 pLDDT=86.7 pTM=0.83 ipTM=0.848 tol=2.43 2024-12-04 22:36:16,721 alphafold2_multimer_v3_model_5_seed_000 recycle=2 pLDDT=86.9 pTM=0.831 ipTM=0.848 tol=2.2 2024-12-04 22:36:21,033 alphafold2_multimer_v3_model_5_seed_000 recycle=3 pLDDT=87 pTM=0.832 ipTM=0.847 tol=0.774 2024-12-04 22:36:25,346 alphafold2_multimer_v3_model_5_seed_000 recycle=4 pLDDT=86.9 pTM=0.831 ipTM=0.845 tol=3.22 2024-12-04 22:36:29,662 alphafold2_multimer_v3_model_5_seed_000 recycle=5 pLDDT=87.2 pTM=0.834 ipTM=0.848 tol=1.58 2024-12-04 22:36:33,974 alphafold2_multimer_v3_model_5_seed_000 recycle=6 pLDDT=87.2 pTM=0.834 ipTM=0.849 tol=1.93 2024-12-04 22:36:38,300 alphafold2_multimer_v3_model_5_seed_000 recycle=7 pLDDT=87.3 pTM=0.837 ipTM=0.847 tol=0.448 2024-12-04 22:36:38,301 alphafold2_multimer_v3_model_5_seed_000 took 34.5s (7 recycles) 2024-12-04 22:36:38,417 reranking models by 'multimer' metric 2024-12-04 22:36:38,882 Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. 2024-12-04 22:36:51,468 Relaxation took 13.1s 2024-12-04 22:36:51,468 rank_001_alphafold2_multimer_v3_model_3_seed_000 pLDDT=87.6 pTM=0.835 ipTM=0.849 2024-12-04 22:37:00,550 Relaxation took 9.1s 2024-12-04 22:37:00,550 rank_002_alphafold2_multimer_v3_model_5_seed_000 pLDDT=87.3 pTM=0.837 ipTM=0.847 2024-12-04 22:37:09,287 Relaxation took 8.7s 2024-12-04 22:37:09,287 rank_003_alphafold2_multimer_v3_model_4_seed_000 pLDDT=87.4 pTM=0.828 ipTM=0.842 2024-12-04 22:37:18,072 Relaxation took 8.8s 2024-12-04 22:37:18,072 rank_004_alphafold2_multimer_v3_model_2_seed_000 pLDDT=87.5 pTM=0.828 ipTM=0.84 2024-12-04 22:37:26,252 Relaxation took 8.2s 2024-12-04 22:37:26,252 rank_005_alphafold2_multimer_v3_model_1_seed_000 pLDDT=87.5 pTM=0.82 ipTM=0.841 2024-12-04 22:37:27,170 Done