2024-12-04 23:23:01,749 Running colabfold 1.5.5 (a69c85fb950bb5a8936e440e12bdb7d2f358d2e3)
2024-12-04 23:23:02,080 Running on GPU
2024-12-04 23:23:07,339 Found 6 citations for tools or databases
2024-12-04 23:23:07,339 Query 1/1: AURKA_REL (length 1022)
2024-12-04 23:23:07,709 Sleeping for 9s. Reason: PENDING
2024-12-04 23:23:16,963 Sleeping for 9s. Reason: RUNNING
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2024-12-04 23:24:00,263 Sleeping for 10s. Reason: RUNNING
2024-12-04 23:24:10,522 Sleeping for 6s. Reason: RUNNING
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2024-12-04 23:24:27,036 Sleeping for 10s. Reason: RUNNING
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2024-12-04 23:24:42,557 Sleeping for 10s. Reason: RUNNING
2024-12-04 23:24:52,820 Sleeping for 5s. Reason: RUNNING
2024-12-04 23:24:58,070 Sleeping for 9s. Reason: RUNNING
2024-12-04 23:25:07,330 Sleeping for 6s. Reason: RUNNING
2024-12-04 23:25:13,587 Sleeping for 5s. Reason: RUNNING
2024-12-04 23:25:18,840 Sleeping for 10s. Reason: RUNNING
2024-12-04 23:25:29,102 Sleeping for 9s. Reason: RUNNING
2024-12-04 23:25:38,362 Sleeping for 9s. Reason: RUNNING
2024-12-04 23:25:51,235 Sleeping for 7s. Reason: PENDING
2024-12-04 23:25:58,495 Sleeping for 5s. Reason: RUNNING
2024-12-04 23:26:03,752 Sleeping for 8s. Reason: RUNNING
2024-12-04 23:26:12,008 Sleeping for 9s. Reason: RUNNING
2024-12-04 23:26:21,268 Sleeping for 6s. Reason: RUNNING
2024-12-04 23:26:27,531 Sleeping for 9s. Reason: RUNNING
2024-12-04 23:26:36,793 Sleeping for 8s. Reason: RUNNING
2024-12-04 23:26:45,052 Sleeping for 7s. Reason: RUNNING
2024-12-04 23:26:52,309 Sleeping for 8s. Reason: RUNNING
2024-12-04 23:27:00,570 Sleeping for 6s. Reason: RUNNING
2024-12-04 23:27:06,828 Sleeping for 9s. Reason: RUNNING
2024-12-04 23:27:16,085 Sleeping for 7s. Reason: RUNNING
2024-12-04 23:27:23,341 Sleeping for 8s. Reason: RUNNING
2024-12-04 23:27:35,680 Setting max_seq=508, max_extra_seq=2048
2024-12-04 23:30:22,752 alphafold2_multimer_v3_model_1_seed_000 recycle=0 pLDDT=55.2 pTM=0.358 ipTM=0.2
2024-12-04 23:30:44,858 alphafold2_multimer_v3_model_1_seed_000 recycle=1 pLDDT=55.1 pTM=0.351 ipTM=0.186 tol=10.6
2024-12-04 23:31:07,026 alphafold2_multimer_v3_model_1_seed_000 recycle=2 pLDDT=55.1 pTM=0.354 ipTM=0.209 tol=8.79
2024-12-04 23:31:29,226 alphafold2_multimer_v3_model_1_seed_000 recycle=3 pLDDT=55 pTM=0.355 ipTM=0.208 tol=6.46
2024-12-04 23:31:51,424 alphafold2_multimer_v3_model_1_seed_000 recycle=4 pLDDT=54.9 pTM=0.358 ipTM=0.215 tol=5.2
2024-12-04 23:32:13,645 alphafold2_multimer_v3_model_1_seed_000 recycle=5 pLDDT=54.9 pTM=0.358 ipTM=0.206 tol=4.16
2024-12-04 23:32:35,872 alphafold2_multimer_v3_model_1_seed_000 recycle=6 pLDDT=55 pTM=0.359 ipTM=0.193 tol=3.4
2024-12-04 23:32:58,125 alphafold2_multimer_v3_model_1_seed_000 recycle=7 pLDDT=54.9 pTM=0.358 ipTM=0.184 tol=4.93
2024-12-04 23:33:20,379 alphafold2_multimer_v3_model_1_seed_000 recycle=8 pLDDT=55.1 pTM=0.359 ipTM=0.187 tol=3.6
2024-12-04 23:33:42,636 alphafold2_multimer_v3_model_1_seed_000 recycle=9 pLDDT=54.8 pTM=0.359 ipTM=0.192 tol=5.37
2024-12-04 23:34:04,904 alphafold2_multimer_v3_model_1_seed_000 recycle=10 pLDDT=55 pTM=0.36 ipTM=0.199 tol=5.41
2024-12-04 23:34:27,139 alphafold2_multimer_v3_model_1_seed_000 recycle=11 pLDDT=55.1 pTM=0.36 ipTM=0.207 tol=3.71
2024-12-04 23:34:49,397 alphafold2_multimer_v3_model_1_seed_000 recycle=12 pLDDT=55 pTM=0.358 ipTM=0.21 tol=3.35
2024-12-04 23:35:11,668 alphafold2_multimer_v3_model_1_seed_000 recycle=13 pLDDT=55.3 pTM=0.361 ipTM=0.218 tol=2.78
2024-12-04 23:35:33,936 alphafold2_multimer_v3_model_1_seed_000 recycle=14 pLDDT=55.1 pTM=0.359 ipTM=0.212 tol=2.81
2024-12-04 23:35:56,218 alphafold2_multimer_v3_model_1_seed_000 recycle=15 pLDDT=55.1 pTM=0.36 ipTM=0.208 tol=2.91
2024-12-04 23:36:18,504 alphafold2_multimer_v3_model_1_seed_000 recycle=16 pLDDT=54.9 pTM=0.36 ipTM=0.222 tol=2.88
2024-12-04 23:36:40,781 alphafold2_multimer_v3_model_1_seed_000 recycle=17 pLDDT=55.2 pTM=0.363 ipTM=0.238 tol=5.5
2024-12-04 23:37:03,045 alphafold2_multimer_v3_model_1_seed_000 recycle=18 pLDDT=55 pTM=0.359 ipTM=0.235 tol=6.41
2024-12-04 23:37:25,318 alphafold2_multimer_v3_model_1_seed_000 recycle=19 pLDDT=55.1 pTM=0.362 ipTM=0.224 tol=2.94
2024-12-04 23:37:47,592 alphafold2_multimer_v3_model_1_seed_000 recycle=20 pLDDT=55 pTM=0.358 ipTM=0.222 tol=4.83
2024-12-04 23:38:09,857 alphafold2_multimer_v3_model_1_seed_000 recycle=21 pLDDT=55.4 pTM=0.361 ipTM=0.227 tol=6.18
2024-12-04 23:38:32,136 alphafold2_multimer_v3_model_1_seed_000 recycle=22 pLDDT=55.1 pTM=0.358 ipTM=0.223 tol=4.19
2024-12-04 23:38:54,413 alphafold2_multimer_v3_model_1_seed_000 recycle=23 pLDDT=55.2 pTM=0.361 ipTM=0.224 tol=4.24
2024-12-04 23:39:16,685 alphafold2_multimer_v3_model_1_seed_000 recycle=24 pLDDT=55.2 pTM=0.359 ipTM=0.231 tol=5.27
2024-12-04 23:39:38,952 alphafold2_multimer_v3_model_1_seed_000 recycle=25 pLDDT=55.4 pTM=0.362 ipTM=0.242 tol=5.79
2024-12-04 23:40:01,214 alphafold2_multimer_v3_model_1_seed_000 recycle=26 pLDDT=55.2 pTM=0.362 ipTM=0.239 tol=5.57
2024-12-04 23:40:23,492 alphafold2_multimer_v3_model_1_seed_000 recycle=27 pLDDT=55.6 pTM=0.364 ipTM=0.249 tol=4.59
2024-12-04 23:40:45,755 alphafold2_multimer_v3_model_1_seed_000 recycle=28 pLDDT=55.2 pTM=0.363 ipTM=0.254 tol=3.68
2024-12-04 23:41:08,015 alphafold2_multimer_v3_model_1_seed_000 recycle=29 pLDDT=55.4 pTM=0.365 ipTM=0.256 tol=3.71
2024-12-04 23:41:30,296 alphafold2_multimer_v3_model_1_seed_000 recycle=30 pLDDT=55.4 pTM=0.365 ipTM=0.264 tol=3.53
2024-12-04 23:41:30,297 alphafold2_multimer_v3_model_1_seed_000 took 828.5s (30 recycles)
2024-12-04 23:41:53,252 alphafold2_multimer_v3_model_2_seed_000 recycle=0 pLDDT=55.2 pTM=0.355 ipTM=0.173
2024-12-04 23:42:15,567 alphafold2_multimer_v3_model_2_seed_000 recycle=1 pLDDT=54.5 pTM=0.353 ipTM=0.202 tol=15.5
2024-12-04 23:42:37,896 alphafold2_multimer_v3_model_2_seed_000 recycle=2 pLDDT=55.7 pTM=0.359 ipTM=0.259 tol=9.98
2024-12-04 23:43:00,253 alphafold2_multimer_v3_model_2_seed_000 recycle=3 pLDDT=55.7 pTM=0.356 ipTM=0.204 tol=8.91
2024-12-04 23:43:22,622 alphafold2_multimer_v3_model_2_seed_000 recycle=4 pLDDT=55.2 pTM=0.352 ipTM=0.217 tol=8.05
2024-12-04 23:43:45,000 alphafold2_multimer_v3_model_2_seed_000 recycle=5 pLDDT=55.7 pTM=0.354 ipTM=0.201 tol=8.6
2024-12-04 23:44:07,390 alphafold2_multimer_v3_model_2_seed_000 recycle=6 pLDDT=56.5 pTM=0.357 ipTM=0.178 tol=5.57
2024-12-04 23:44:29,734 alphafold2_multimer_v3_model_2_seed_000 recycle=7 pLDDT=56 pTM=0.354 ipTM=0.185 tol=6.95
2024-12-04 23:44:52,088 alphafold2_multimer_v3_model_2_seed_000 recycle=8 pLDDT=56.3 pTM=0.353 ipTM=0.176 tol=7.54
2024-12-04 23:45:14,424 alphafold2_multimer_v3_model_2_seed_000 recycle=9 pLDDT=55.9 pTM=0.354 ipTM=0.192 tol=6.65
2024-12-04 23:45:36,783 alphafold2_multimer_v3_model_2_seed_000 recycle=10 pLDDT=56.2 pTM=0.353 ipTM=0.17 tol=6.56
2024-12-04 23:45:59,128 alphafold2_multimer_v3_model_2_seed_000 recycle=11 pLDDT=56.2 pTM=0.354 ipTM=0.182 tol=5.97
2024-12-04 23:46:21,454 alphafold2_multimer_v3_model_2_seed_000 recycle=12 pLDDT=56.2 pTM=0.352 ipTM=0.169 tol=6.44
2024-12-04 23:46:43,781 alphafold2_multimer_v3_model_2_seed_000 recycle=13 pLDDT=56.2 pTM=0.352 ipTM=0.164 tol=3.9
2024-12-04 23:47:06,093 alphafold2_multimer_v3_model_2_seed_000 recycle=14 pLDDT=56.3 pTM=0.357 ipTM=0.232 tol=5.55
2024-12-04 23:47:28,405 alphafold2_multimer_v3_model_2_seed_000 recycle=15 pLDDT=56.4 pTM=0.358 ipTM=0.196 tol=5.24
2024-12-04 23:47:50,722 alphafold2_multimer_v3_model_2_seed_000 recycle=16 pLDDT=56.2 pTM=0.356 ipTM=0.197 tol=6.27
2024-12-04 23:48:13,044 alphafold2_multimer_v3_model_2_seed_000 recycle=17 pLDDT=56.2 pTM=0.353 ipTM=0.171 tol=4.77
2024-12-04 23:48:35,364 alphafold2_multimer_v3_model_2_seed_000 recycle=18 pLDDT=56 pTM=0.351 ipTM=0.174 tol=5.08
2024-12-04 23:48:57,692 alphafold2_multimer_v3_model_2_seed_000 recycle=19 pLDDT=56.3 pTM=0.354 ipTM=0.177 tol=5.15
2024-12-04 23:49:20,007 alphafold2_multimer_v3_model_2_seed_000 recycle=20 pLDDT=56.1 pTM=0.355 ipTM=0.191 tol=4.96
2024-12-04 23:49:42,331 alphafold2_multimer_v3_model_2_seed_000 recycle=21 pLDDT=56.4 pTM=0.354 ipTM=0.175 tol=4.38
2024-12-04 23:50:04,651 alphafold2_multimer_v3_model_2_seed_000 recycle=22 pLDDT=56.1 pTM=0.35 ipTM=0.168 tol=3.01
2024-12-04 23:50:26,987 alphafold2_multimer_v3_model_2_seed_000 recycle=23 pLDDT=56.2 pTM=0.349 ipTM=0.157 tol=2.28
2024-12-04 23:50:49,318 alphafold2_multimer_v3_model_2_seed_000 recycle=24 pLDDT=56.1 pTM=0.349 ipTM=0.152 tol=3.43
2024-12-04 23:51:11,646 alphafold2_multimer_v3_model_2_seed_000 recycle=25 pLDDT=56.4 pTM=0.354 ipTM=0.177 tol=4.35
2024-12-04 23:51:33,968 alphafold2_multimer_v3_model_2_seed_000 recycle=26 pLDDT=56.3 pTM=0.355 ipTM=0.179 tol=3.42
2024-12-04 23:51:56,309 alphafold2_multimer_v3_model_2_seed_000 recycle=27 pLDDT=56.3 pTM=0.351 ipTM=0.155 tol=5.37
2024-12-04 23:52:18,631 alphafold2_multimer_v3_model_2_seed_000 recycle=28 pLDDT=56.1 pTM=0.351 ipTM=0.154 tol=4.23
2024-12-04 23:52:40,966 alphafold2_multimer_v3_model_2_seed_000 recycle=29 pLDDT=56.2 pTM=0.351 ipTM=0.165 tol=4.13
2024-12-04 23:53:03,293 alphafold2_multimer_v3_model_2_seed_000 recycle=30 pLDDT=56.2 pTM=0.353 ipTM=0.159 tol=4.3
2024-12-04 23:53:03,294 alphafold2_multimer_v3_model_2_seed_000 took 692.3s (30 recycles)
2024-12-04 23:53:26,298 alphafold2_multimer_v3_model_3_seed_000 recycle=0 pLDDT=54.1 pTM=0.361 ipTM=0.257
2024-12-04 23:53:48,632 alphafold2_multimer_v3_model_3_seed_000 recycle=1 pLDDT=55 pTM=0.382 ipTM=0.309 tol=18.2
2024-12-04 23:54:10,964 alphafold2_multimer_v3_model_3_seed_000 recycle=2 pLDDT=55.5 pTM=0.374 ipTM=0.231 tol=15.9
2024-12-04 23:54:33,293 alphafold2_multimer_v3_model_3_seed_000 recycle=3 pLDDT=55.6 pTM=0.369 ipTM=0.201 tol=9.48
2024-12-04 23:54:55,627 alphafold2_multimer_v3_model_3_seed_000 recycle=4 pLDDT=56.1 pTM=0.382 ipTM=0.267 tol=7.72
2024-12-04 23:55:18,002 alphafold2_multimer_v3_model_3_seed_000 recycle=5 pLDDT=56.3 pTM=0.379 ipTM=0.212 tol=7.96
2024-12-04 23:55:40,340 alphafold2_multimer_v3_model_3_seed_000 recycle=6 pLDDT=56.3 pTM=0.383 ipTM=0.225 tol=3.91
2024-12-04 23:56:02,703 alphafold2_multimer_v3_model_3_seed_000 recycle=7 pLDDT=56.5 pTM=0.384 ipTM=0.219 tol=3.38
2024-12-04 23:56:25,045 alphafold2_multimer_v3_model_3_seed_000 recycle=8 pLDDT=56.5 pTM=0.391 ipTM=0.24 tol=5.9
2024-12-04 23:56:47,406 alphafold2_multimer_v3_model_3_seed_000 recycle=9 pLDDT=56.3 pTM=0.383 ipTM=0.216 tol=4.99
2024-12-04 23:57:09,788 alphafold2_multimer_v3_model_3_seed_000 recycle=10 pLDDT=56.6 pTM=0.388 ipTM=0.238 tol=4.79
2024-12-04 23:57:32,153 alphafold2_multimer_v3_model_3_seed_000 recycle=11 pLDDT=56.7 pTM=0.39 ipTM=0.232 tol=3.26
2024-12-04 23:57:54,511 alphafold2_multimer_v3_model_3_seed_000 recycle=12 pLDDT=56.8 pTM=0.395 ipTM=0.268 tol=4.9
2024-12-04 23:58:16,903 alphafold2_multimer_v3_model_3_seed_000 recycle=13 pLDDT=56.7 pTM=0.386 ipTM=0.223 tol=5.36
2024-12-04 23:58:39,252 alphafold2_multimer_v3_model_3_seed_000 recycle=14 pLDDT=56.6 pTM=0.394 ipTM=0.236 tol=5.88
2024-12-04 23:59:01,627 alphafold2_multimer_v3_model_3_seed_000 recycle=15 pLDDT=56.6 pTM=0.385 ipTM=0.218 tol=4.73
2024-12-04 23:59:24,011 alphafold2_multimer_v3_model_3_seed_000 recycle=16 pLDDT=56.8 pTM=0.391 ipTM=0.228 tol=3.15
2024-12-04 23:59:46,398 alphafold2_multimer_v3_model_3_seed_000 recycle=17 pLDDT=56.7 pTM=0.39 ipTM=0.229 tol=4.32
2024-12-05 00:00:08,763 alphafold2_multimer_v3_model_3_seed_000 recycle=18 pLDDT=56.6 pTM=0.388 ipTM=0.23 tol=3.13
2024-12-05 00:00:31,151 alphafold2_multimer_v3_model_3_seed_000 recycle=19 pLDDT=56.7 pTM=0.392 ipTM=0.234 tol=2.7
2024-12-05 00:00:53,516 alphafold2_multimer_v3_model_3_seed_000 recycle=20 pLDDT=56.7 pTM=0.4 ipTM=0.251 tol=3.08
2024-12-05 00:01:15,880 alphafold2_multimer_v3_model_3_seed_000 recycle=21 pLDDT=56.8 pTM=0.393 ipTM=0.232 tol=4.77
2024-12-05 00:01:38,234 alphafold2_multimer_v3_model_3_seed_000 recycle=22 pLDDT=56.9 pTM=0.408 ipTM=0.28 tol=3.58
2024-12-05 00:02:00,589 alphafold2_multimer_v3_model_3_seed_000 recycle=23 pLDDT=56.8 pTM=0.395 ipTM=0.236 tol=2.75
2024-12-05 00:02:22,951 alphafold2_multimer_v3_model_3_seed_000 recycle=24 pLDDT=56.9 pTM=0.401 ipTM=0.258 tol=3.28
2024-12-05 00:02:45,318 alphafold2_multimer_v3_model_3_seed_000 recycle=25 pLDDT=56.9 pTM=0.394 ipTM=0.229 tol=3.87
2024-12-05 00:03:07,669 alphafold2_multimer_v3_model_3_seed_000 recycle=26 pLDDT=57 pTM=0.401 ipTM=0.253 tol=3.86
2024-12-05 00:03:30,037 alphafold2_multimer_v3_model_3_seed_000 recycle=27 pLDDT=56.9 pTM=0.393 ipTM=0.23 tol=3.72
2024-12-05 00:03:52,389 alphafold2_multimer_v3_model_3_seed_000 recycle=28 pLDDT=57 pTM=0.401 ipTM=0.257 tol=3.07
2024-12-05 00:04:14,751 alphafold2_multimer_v3_model_3_seed_000 recycle=29 pLDDT=57 pTM=0.392 ipTM=0.216 tol=3.79
2024-12-05 00:04:37,138 alphafold2_multimer_v3_model_3_seed_000 recycle=30 pLDDT=56.9 pTM=0.405 ipTM=0.275 tol=5.96
2024-12-05 00:04:37,139 alphafold2_multimer_v3_model_3_seed_000 took 693.2s (30 recycles)
2024-12-05 00:05:00,130 alphafold2_multimer_v3_model_4_seed_000 recycle=0 pLDDT=51.4 pTM=0.359 ipTM=0.207
2024-12-05 00:05:22,513 alphafold2_multimer_v3_model_4_seed_000 recycle=1 pLDDT=53.4 pTM=0.351 ipTM=0.178 tol=11.2
2024-12-05 00:05:44,953 alphafold2_multimer_v3_model_4_seed_000 recycle=2 pLDDT=53.7 pTM=0.342 ipTM=0.148 tol=6.54
2024-12-05 00:06:07,428 alphafold2_multimer_v3_model_4_seed_000 recycle=3 pLDDT=53.3 pTM=0.336 ipTM=0.147 tol=9.99
2024-12-05 00:06:29,903 alphafold2_multimer_v3_model_4_seed_000 recycle=4 pLDDT=54.2 pTM=0.344 ipTM=0.148 tol=8.53
2024-12-05 00:06:52,332 alphafold2_multimer_v3_model_4_seed_000 recycle=5 pLDDT=53.9 pTM=0.345 ipTM=0.164 tol=9.59
2024-12-05 00:07:14,760 alphafold2_multimer_v3_model_4_seed_000 recycle=6 pLDDT=54.6 pTM=0.349 ipTM=0.183 tol=7.37
2024-12-05 00:07:37,145 alphafold2_multimer_v3_model_4_seed_000 recycle=7 pLDDT=54.1 pTM=0.349 ipTM=0.177 tol=7.13
2024-12-05 00:07:59,546 alphafold2_multimer_v3_model_4_seed_000 recycle=8 pLDDT=54.6 pTM=0.348 ipTM=0.227 tol=6.03
2024-12-05 00:08:21,954 alphafold2_multimer_v3_model_4_seed_000 recycle=9 pLDDT=53.8 pTM=0.346 ipTM=0.166 tol=7.77
2024-12-05 00:08:44,346 alphafold2_multimer_v3_model_4_seed_000 recycle=10 pLDDT=54.5 pTM=0.348 ipTM=0.161 tol=7.13
2024-12-05 00:09:06,742 alphafold2_multimer_v3_model_4_seed_000 recycle=11 pLDDT=54.2 pTM=0.348 ipTM=0.162 tol=2.86
2024-12-05 00:09:29,138 alphafold2_multimer_v3_model_4_seed_000 recycle=12 pLDDT=54.6 pTM=0.348 ipTM=0.162 tol=1.92
2024-12-05 00:09:51,500 alphafold2_multimer_v3_model_4_seed_000 recycle=13 pLDDT=54.2 pTM=0.346 ipTM=0.164 tol=2.12
2024-12-05 00:10:13,878 alphafold2_multimer_v3_model_4_seed_000 recycle=14 pLDDT=54.7 pTM=0.35 ipTM=0.17 tol=4.05
2024-12-05 00:10:36,248 alphafold2_multimer_v3_model_4_seed_000 recycle=15 pLDDT=54.2 pTM=0.346 ipTM=0.171 tol=6.59
2024-12-05 00:10:58,629 alphafold2_multimer_v3_model_4_seed_000 recycle=16 pLDDT=54.5 pTM=0.348 ipTM=0.167 tol=6.08
2024-12-05 00:11:20,988 alphafold2_multimer_v3_model_4_seed_000 recycle=17 pLDDT=53.9 pTM=0.347 ipTM=0.163 tol=7.38
2024-12-05 00:11:43,359 alphafold2_multimer_v3_model_4_seed_000 recycle=18 pLDDT=54.6 pTM=0.356 ipTM=0.254 tol=8.19
2024-12-05 00:12:05,708 alphafold2_multimer_v3_model_4_seed_000 recycle=19 pLDDT=54.2 pTM=0.357 ipTM=0.275 tol=6.64
2024-12-05 00:12:28,060 alphafold2_multimer_v3_model_4_seed_000 recycle=20 pLDDT=54.4 pTM=0.357 ipTM=0.253 tol=6.67
2024-12-05 00:12:50,415 alphafold2_multimer_v3_model_4_seed_000 recycle=21 pLDDT=53.9 pTM=0.351 ipTM=0.165 tol=4.33
2024-12-05 00:13:12,803 alphafold2_multimer_v3_model_4_seed_000 recycle=22 pLDDT=54.6 pTM=0.352 ipTM=0.166 tol=3.13
2024-12-05 00:13:35,159 alphafold2_multimer_v3_model_4_seed_000 recycle=23 pLDDT=53.9 pTM=0.349 ipTM=0.159 tol=3.04
2024-12-05 00:13:57,539 alphafold2_multimer_v3_model_4_seed_000 recycle=24 pLDDT=54.5 pTM=0.354 ipTM=0.229 tol=4.54
2024-12-05 00:14:19,903 alphafold2_multimer_v3_model_4_seed_000 recycle=25 pLDDT=54.2 pTM=0.356 ipTM=0.237 tol=5.14
2024-12-05 00:14:42,262 alphafold2_multimer_v3_model_4_seed_000 recycle=26 pLDDT=54.6 pTM=0.357 ipTM=0.269 tol=5.44
2024-12-05 00:15:04,648 alphafold2_multimer_v3_model_4_seed_000 recycle=27 pLDDT=54 pTM=0.35 ipTM=0.157 tol=4.83
2024-12-05 00:15:27,007 alphafold2_multimer_v3_model_4_seed_000 recycle=28 pLDDT=54.4 pTM=0.351 ipTM=0.162 tol=3.2
2024-12-05 00:15:49,370 alphafold2_multimer_v3_model_4_seed_000 recycle=29 pLDDT=54.1 pTM=0.35 ipTM=0.158 tol=3.05
2024-12-05 00:16:11,754 alphafold2_multimer_v3_model_4_seed_000 recycle=30 pLDDT=54.8 pTM=0.36 ipTM=0.27 tol=7.88
2024-12-05 00:16:11,755 alphafold2_multimer_v3_model_4_seed_000 took 694.0s (30 recycles)
2024-12-05 00:16:34,782 alphafold2_multimer_v3_model_5_seed_000 recycle=0 pLDDT=54 pTM=0.351 ipTM=0.162
2024-12-05 00:16:57,153 alphafold2_multimer_v3_model_5_seed_000 recycle=1 pLDDT=54.9 pTM=0.357 ipTM=0.167 tol=12.9
2024-12-05 00:17:19,522 alphafold2_multimer_v3_model_5_seed_000 recycle=2 pLDDT=55.2 pTM=0.357 ipTM=0.169 tol=8.52
2024-12-05 00:17:41,881 alphafold2_multimer_v3_model_5_seed_000 recycle=3 pLDDT=55.3 pTM=0.359 ipTM=0.171 tol=8.71
2024-12-05 00:18:04,235 alphafold2_multimer_v3_model_5_seed_000 recycle=4 pLDDT=55.4 pTM=0.359 ipTM=0.177 tol=7.6
2024-12-05 00:18:26,592 alphafold2_multimer_v3_model_5_seed_000 recycle=5 pLDDT=55.8 pTM=0.367 ipTM=0.195 tol=4.74
2024-12-05 00:18:48,932 alphafold2_multimer_v3_model_5_seed_000 recycle=6 pLDDT=55.9 pTM=0.372 ipTM=0.202 tol=2.92
2024-12-05 00:19:11,269 alphafold2_multimer_v3_model_5_seed_000 recycle=7 pLDDT=55.8 pTM=0.375 ipTM=0.24 tol=3.7
2024-12-05 00:19:33,599 alphafold2_multimer_v3_model_5_seed_000 recycle=8 pLDDT=55.7 pTM=0.374 ipTM=0.204 tol=2.74
2024-12-05 00:19:55,957 alphafold2_multimer_v3_model_5_seed_000 recycle=9 pLDDT=55.6 pTM=0.372 ipTM=0.206 tol=3.18
2024-12-05 00:20:18,316 alphafold2_multimer_v3_model_5_seed_000 recycle=10 pLDDT=56.1 pTM=0.376 ipTM=0.253 tol=5.46
2024-12-05 00:20:40,672 alphafold2_multimer_v3_model_5_seed_000 recycle=11 pLDDT=56 pTM=0.378 ipTM=0.216 tol=4.43
2024-12-05 00:21:03,034 alphafold2_multimer_v3_model_5_seed_000 recycle=12 pLDDT=55.7 pTM=0.371 ipTM=0.206 tol=4.7
2024-12-05 00:21:25,412 alphafold2_multimer_v3_model_5_seed_000 recycle=13 pLDDT=55.8 pTM=0.368 ipTM=0.197 tol=4.03
2024-12-05 00:21:47,754 alphafold2_multimer_v3_model_5_seed_000 recycle=14 pLDDT=55.8 pTM=0.371 ipTM=0.203 tol=3.92
2024-12-05 00:22:10,133 alphafold2_multimer_v3_model_5_seed_000 recycle=15 pLDDT=55.9 pTM=0.372 ipTM=0.208 tol=3.1
2024-12-05 00:22:32,540 alphafold2_multimer_v3_model_5_seed_000 recycle=16 pLDDT=55.7 pTM=0.366 ipTM=0.189 tol=3.45
2024-12-05 00:22:54,927 alphafold2_multimer_v3_model_5_seed_000 recycle=17 pLDDT=55.4 pTM=0.363 ipTM=0.191 tol=3.13
2024-12-05 00:23:17,329 alphafold2_multimer_v3_model_5_seed_000 recycle=18 pLDDT=55.5 pTM=0.363 ipTM=0.187 tol=3.68
2024-12-05 00:23:39,740 alphafold2_multimer_v3_model_5_seed_000 recycle=19 pLDDT=55.6 pTM=0.363 ipTM=0.187 tol=3.05
2024-12-05 00:24:02,154 alphafold2_multimer_v3_model_5_seed_000 recycle=20 pLDDT=55.5 pTM=0.367 ipTM=0.196 tol=5.95
2024-12-05 00:24:24,580 alphafold2_multimer_v3_model_5_seed_000 recycle=21 pLDDT=55.8 pTM=0.371 ipTM=0.199 tol=6.54
2024-12-05 00:24:47,007 alphafold2_multimer_v3_model_5_seed_000 recycle=22 pLDDT=55.7 pTM=0.372 ipTM=0.206 tol=2.74
2024-12-05 00:25:09,444 alphafold2_multimer_v3_model_5_seed_000 recycle=23 pLDDT=55.9 pTM=0.369 ipTM=0.194 tol=2.62
2024-12-05 00:25:31,834 alphafold2_multimer_v3_model_5_seed_000 recycle=24 pLDDT=55.8 pTM=0.37 ipTM=0.197 tol=2.86
2024-12-05 00:25:54,207 alphafold2_multimer_v3_model_5_seed_000 recycle=25 pLDDT=55.8 pTM=0.37 ipTM=0.199 tol=2.62
2024-12-05 00:26:16,565 alphafold2_multimer_v3_model_5_seed_000 recycle=26 pLDDT=55.7 pTM=0.371 ipTM=0.209 tol=2.77
2024-12-05 00:26:38,929 alphafold2_multimer_v3_model_5_seed_000 recycle=27 pLDDT=56 pTM=0.374 ipTM=0.2 tol=2.14
2024-12-05 00:27:01,278 alphafold2_multimer_v3_model_5_seed_000 recycle=28 pLDDT=55.7 pTM=0.374 ipTM=0.206 tol=2.54
2024-12-05 00:27:23,654 alphafold2_multimer_v3_model_5_seed_000 recycle=29 pLDDT=56 pTM=0.373 ipTM=0.208 tol=2.96
2024-12-05 00:27:46,019 alphafold2_multimer_v3_model_5_seed_000 recycle=30 pLDDT=55.8 pTM=0.371 ipTM=0.201 tol=3.49
2024-12-05 00:27:46,020 alphafold2_multimer_v3_model_5_seed_000 took 693.6s (30 recycles)
2024-12-05 00:27:46,662 reranking models by 'multimer' metric
2024-12-05 00:27:51,163 Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
2024-12-05 00:28:57,799 Relaxation took 71.1s
2024-12-05 00:28:57,799 rank_001_alphafold2_multimer_v3_model_3_seed_000 pLDDT=56.9 pTM=0.405 ipTM=0.275
2024-12-05 00:30:48,559 Relaxation took 110.8s
2024-12-05 00:30:48,559 rank_002_alphafold2_multimer_v3_model_4_seed_000 pLDDT=54.8 pTM=0.36 ipTM=0.27
2024-12-05 00:31:55,946 Relaxation took 67.4s
2024-12-05 00:31:55,946 rank_003_alphafold2_multimer_v3_model_1_seed_000 pLDDT=55.4 pTM=0.365 ipTM=0.264
2024-12-05 00:33:24,941 Relaxation took 89.0s
2024-12-05 00:33:24,954 rank_004_alphafold2_multimer_v3_model_5_seed_000 pLDDT=55.8 pTM=0.371 ipTM=0.201
2024-12-05 00:34:48,811 Relaxation took 83.9s
2024-12-05 00:34:48,811 rank_005_alphafold2_multimer_v3_model_2_seed_000 pLDDT=56.2 pTM=0.353 ipTM=0.159
2024-12-05 00:34:50,869 Done