2024-07-12 21:06:10,987 Running colabfold 1.5.5 (a69c85fb950bb5a8936e440e12bdb7d2f358d2e3) 2024-07-12 21:06:11,297 Running on GPU 2024-07-12 21:06:19,214 Found 6 citations for tools or databases 2024-07-12 21:06:19,215 Query 1/1: RUXE_GPR25 (length 453) 2024-07-12 21:06:19,680 Sleeping for 9s. Reason: PENDING 2024-07-12 21:06:29,118 Sleeping for 5s. Reason: RUNNING 2024-07-12 21:06:34,533 Sleeping for 9s. Reason: RUNNING 2024-07-12 21:06:43,965 Sleeping for 7s. Reason: RUNNING 2024-07-12 21:06:51,389 Sleeping for 5s. Reason: RUNNING 2024-07-12 21:06:56,817 Sleeping for 8s. Reason: RUNNING 2024-07-12 21:07:05,229 Sleeping for 9s. Reason: RUNNING 2024-07-12 21:07:14,661 Sleeping for 5s. Reason: RUNNING 2024-07-12 21:07:20,106 Sleeping for 6s. Reason: RUNNING 2024-07-12 21:07:26,558 Sleeping for 8s. Reason: RUNNING 2024-07-12 21:07:35,004 Sleeping for 10s. Reason: RUNNING 2024-07-12 21:07:45,446 Sleeping for 8s. Reason: RUNNING 2024-07-12 21:07:53,864 Sleeping for 9s. Reason: RUNNING 2024-07-12 21:08:04,949 Sleeping for 5s. Reason: PENDING 2024-07-12 21:08:10,380 Sleeping for 6s. Reason: RUNNING 2024-07-12 21:08:16,788 Sleeping for 5s. Reason: RUNNING 2024-07-12 21:08:22,204 Sleeping for 9s. Reason: RUNNING 2024-07-12 21:08:31,636 Sleeping for 7s. Reason: RUNNING 2024-07-12 21:08:39,072 Sleeping for 10s. Reason: RUNNING 2024-07-12 21:08:49,513 Sleeping for 7s. Reason: RUNNING 2024-07-12 21:08:56,937 Sleeping for 7s. Reason: RUNNING 2024-07-12 21:09:04,356 Sleeping for 9s. Reason: RUNNING 2024-07-12 21:09:15,612 Setting max_seq=508, max_extra_seq=2048 2024-07-12 21:12:34,240 alphafold2_multimer_v3_model_1_seed_000 recycle=0 pLDDT=67.7 pTM=0.64 ipTM=0.227 2024-07-12 21:12:38,819 alphafold2_multimer_v3_model_1_seed_000 recycle=1 pLDDT=67.6 pTM=0.641 ipTM=0.268 tol=2.92 2024-07-12 21:12:43,403 alphafold2_multimer_v3_model_1_seed_000 recycle=2 pLDDT=67.2 pTM=0.635 ipTM=0.249 tol=1.2 2024-07-12 21:12:47,987 alphafold2_multimer_v3_model_1_seed_000 recycle=3 pLDDT=67.5 pTM=0.64 ipTM=0.257 tol=1.23 2024-07-12 21:12:52,576 alphafold2_multimer_v3_model_1_seed_000 recycle=4 pLDDT=67.4 pTM=0.641 ipTM=0.263 tol=1.22 2024-07-12 21:12:57,161 alphafold2_multimer_v3_model_1_seed_000 recycle=5 pLDDT=67.4 pTM=0.639 ipTM=0.265 tol=0.93 2024-07-12 21:13:01,749 alphafold2_multimer_v3_model_1_seed_000 recycle=6 pLDDT=67.6 pTM=0.635 ipTM=0.259 tol=0.438 2024-07-12 21:13:01,750 alphafold2_multimer_v3_model_1_seed_000 took 196.4s (6 recycles) 2024-07-12 21:13:09,244 alphafold2_multimer_v3_model_2_seed_000 recycle=0 pLDDT=68.9 pTM=0.654 ipTM=0.242 2024-07-12 21:13:13,834 alphafold2_multimer_v3_model_2_seed_000 recycle=1 pLDDT=68.1 pTM=0.653 ipTM=0.258 tol=6.08 2024-07-12 21:13:18,425 alphafold2_multimer_v3_model_2_seed_000 recycle=2 pLDDT=67.9 pTM=0.646 ipTM=0.236 tol=1.77 2024-07-12 21:13:23,010 alphafold2_multimer_v3_model_2_seed_000 recycle=3 pLDDT=68 pTM=0.651 ipTM=0.241 tol=1.15 2024-07-12 21:13:27,593 alphafold2_multimer_v3_model_2_seed_000 recycle=4 pLDDT=68.6 pTM=0.655 ipTM=0.251 tol=1.01 2024-07-12 21:13:32,180 alphafold2_multimer_v3_model_2_seed_000 recycle=5 pLDDT=68.4 pTM=0.655 ipTM=0.258 tol=0.502 2024-07-12 21:13:36,767 alphafold2_multimer_v3_model_2_seed_000 recycle=6 pLDDT=68.2 pTM=0.654 ipTM=0.263 tol=0.939 2024-07-12 21:13:41,354 alphafold2_multimer_v3_model_2_seed_000 recycle=7 pLDDT=68.9 pTM=0.66 ipTM=0.266 tol=0.397 2024-07-12 21:13:41,355 alphafold2_multimer_v3_model_2_seed_000 took 36.7s (7 recycles) 2024-07-12 21:13:46,801 alphafold2_multimer_v3_model_3_seed_000 recycle=0 pLDDT=68.7 pTM=0.632 ipTM=0.221 2024-07-12 21:13:51,407 alphafold2_multimer_v3_model_3_seed_000 recycle=1 pLDDT=68.2 pTM=0.649 ipTM=0.264 tol=2.23 2024-07-12 21:13:56,013 alphafold2_multimer_v3_model_3_seed_000 recycle=2 pLDDT=68.8 pTM=0.663 ipTM=0.313 tol=8.45 2024-07-12 21:14:00,616 alphafold2_multimer_v3_model_3_seed_000 recycle=3 pLDDT=69.2 pTM=0.665 ipTM=0.323 tol=5.96 2024-07-12 21:14:05,221 alphafold2_multimer_v3_model_3_seed_000 recycle=4 pLDDT=69.1 pTM=0.66 ipTM=0.313 tol=1.25 2024-07-12 21:14:09,826 alphafold2_multimer_v3_model_3_seed_000 recycle=5 pLDDT=68.8 pTM=0.662 ipTM=0.328 tol=1.78 2024-07-12 21:14:14,431 alphafold2_multimer_v3_model_3_seed_000 recycle=6 pLDDT=68.8 pTM=0.659 ipTM=0.318 tol=0.981 2024-07-12 21:14:19,037 alphafold2_multimer_v3_model_3_seed_000 recycle=7 pLDDT=69.2 pTM=0.661 ipTM=0.331 tol=1.84 2024-07-12 21:14:23,648 alphafold2_multimer_v3_model_3_seed_000 recycle=8 pLDDT=69.9 pTM=0.67 ipTM=0.344 tol=0.843 2024-07-12 21:14:28,257 alphafold2_multimer_v3_model_3_seed_000 recycle=9 pLDDT=69.9 pTM=0.665 ipTM=0.331 tol=2.24 2024-07-12 21:14:32,864 alphafold2_multimer_v3_model_3_seed_000 recycle=10 pLDDT=70.1 pTM=0.667 ipTM=0.37 tol=1.04 2024-07-12 21:14:37,471 alphafold2_multimer_v3_model_3_seed_000 recycle=11 pLDDT=70.2 pTM=0.671 ipTM=0.352 tol=0.431 2024-07-12 21:14:37,471 alphafold2_multimer_v3_model_3_seed_000 took 55.3s (11 recycles) 2024-07-12 21:14:42,261 alphafold2_multimer_v3_model_4_seed_000 recycle=0 pLDDT=69.1 pTM=0.658 ipTM=0.252 2024-07-12 21:14:46,892 alphafold2_multimer_v3_model_4_seed_000 recycle=1 pLDDT=67.6 pTM=0.649 ipTM=0.259 tol=3.23 2024-07-12 21:14:51,526 alphafold2_multimer_v3_model_4_seed_000 recycle=2 pLDDT=68.7 pTM=0.657 ipTM=0.256 tol=2.3 2024-07-12 21:14:56,149 alphafold2_multimer_v3_model_4_seed_000 recycle=3 pLDDT=69 pTM=0.656 ipTM=0.271 tol=0.548 2024-07-12 21:15:00,776 alphafold2_multimer_v3_model_4_seed_000 recycle=4 pLDDT=69.1 pTM=0.657 ipTM=0.278 tol=1.38 2024-07-12 21:15:05,393 alphafold2_multimer_v3_model_4_seed_000 recycle=5 pLDDT=69 pTM=0.657 ipTM=0.281 tol=0.521 2024-07-12 21:15:10,015 alphafold2_multimer_v3_model_4_seed_000 recycle=6 pLDDT=68.7 pTM=0.654 ipTM=0.277 tol=1.06 2024-07-12 21:15:14,637 alphafold2_multimer_v3_model_4_seed_000 recycle=7 pLDDT=68.8 pTM=0.654 ipTM=0.277 tol=0.254 2024-07-12 21:15:14,638 alphafold2_multimer_v3_model_4_seed_000 took 37.0s (7 recycles) 2024-07-12 21:15:19,400 alphafold2_multimer_v3_model_5_seed_000 recycle=0 pLDDT=66.9 pTM=0.625 ipTM=0.158 2024-07-12 21:15:24,021 alphafold2_multimer_v3_model_5_seed_000 recycle=1 pLDDT=66.6 pTM=0.644 ipTM=0.215 tol=3.82 2024-07-12 21:15:28,643 alphafold2_multimer_v3_model_5_seed_000 recycle=2 pLDDT=66.4 pTM=0.646 ipTM=0.23 tol=2.09 2024-07-12 21:15:33,261 alphafold2_multimer_v3_model_5_seed_000 recycle=3 pLDDT=66.9 pTM=0.66 ipTM=0.27 tol=5.3 2024-07-12 21:15:37,880 alphafold2_multimer_v3_model_5_seed_000 recycle=4 pLDDT=67.8 pTM=0.665 ipTM=0.297 tol=1.2 2024-07-12 21:15:42,500 alphafold2_multimer_v3_model_5_seed_000 recycle=5 pLDDT=68.2 pTM=0.669 ipTM=0.318 tol=1.11 2024-07-12 21:15:47,117 alphafold2_multimer_v3_model_5_seed_000 recycle=6 pLDDT=68.1 pTM=0.667 ipTM=0.321 tol=1.1 2024-07-12 21:15:51,735 alphafold2_multimer_v3_model_5_seed_000 recycle=7 pLDDT=69.1 pTM=0.673 ipTM=0.339 tol=1.9 2024-07-12 21:15:56,356 alphafold2_multimer_v3_model_5_seed_000 recycle=8 pLDDT=68.1 pTM=0.667 ipTM=0.308 tol=0.753 2024-07-12 21:16:00,974 alphafold2_multimer_v3_model_5_seed_000 recycle=9 pLDDT=68.3 pTM=0.669 ipTM=0.316 tol=1.78 2024-07-12 21:16:05,598 alphafold2_multimer_v3_model_5_seed_000 recycle=10 pLDDT=68.4 pTM=0.667 ipTM=0.306 tol=0.67 2024-07-12 21:16:10,215 alphafold2_multimer_v3_model_5_seed_000 recycle=11 pLDDT=68 pTM=0.666 ipTM=0.299 tol=0.415 2024-07-12 21:16:10,215 alphafold2_multimer_v3_model_5_seed_000 took 55.4s (11 recycles) 2024-07-12 21:16:10,356 reranking models by 'multimer' metric 2024-07-12 21:16:19,881 Warning: importing 'simtk.openmm' is deprecated. Import 'openmm' instead. 2024-07-12 21:16:43,057 Relaxation took 32.7s 2024-07-12 21:16:43,058 rank_001_alphafold2_multimer_v3_model_3_seed_000 pLDDT=70.2 pTM=0.671 ipTM=0.352 2024-07-12 21:16:52,359 Relaxation took 9.3s 2024-07-12 21:16:52,359 rank_002_alphafold2_multimer_v3_model_5_seed_000 pLDDT=68 pTM=0.666 ipTM=0.299 2024-07-12 21:17:12,795 Relaxation took 20.4s 2024-07-12 21:17:12,795 rank_003_alphafold2_multimer_v3_model_4_seed_000 pLDDT=68.8 pTM=0.654 ipTM=0.277 2024-07-12 21:17:33,854 Relaxation took 21.1s 2024-07-12 21:17:33,855 rank_004_alphafold2_multimer_v3_model_2_seed_000 pLDDT=68.9 pTM=0.66 ipTM=0.266 2024-07-12 21:17:45,158 Relaxation took 11.3s 2024-07-12 21:17:45,159 rank_005_alphafold2_multimer_v3_model_1_seed_000 pLDDT=67.6 pTM=0.635 ipTM=0.259 2024-07-12 21:17:46,146 Done