2024-12-09 23:52:17,947 Running colabfold 1.5.5 (a69c85fb950bb5a8936e440e12bdb7d2f358d2e3)
2024-12-09 23:52:18,253 Running on GPU
2024-12-09 23:52:21,907 Found 6 citations for tools or databases
2024-12-09 23:52:21,907 Query 1/1: WDTC1_CHST5 (length 1088)
2024-12-09 23:52:32,936 Setting max_seq=508, max_extra_seq=2048
2024-12-09 23:54:47,989 alphafold2_multimer_v3_model_1_seed_000 recycle=0 pLDDT=76.1 pTM=0.563 ipTM=0.139
2024-12-09 23:55:09,748 alphafold2_multimer_v3_model_1_seed_000 recycle=1 pLDDT=76.9 pTM=0.581 ipTM=0.214 tol=8.66
2024-12-09 23:55:31,575 alphafold2_multimer_v3_model_1_seed_000 recycle=2 pLDDT=76.2 pTM=0.571 ipTM=0.158 tol=3.73
2024-12-09 23:55:53,501 alphafold2_multimer_v3_model_1_seed_000 recycle=3 pLDDT=76 pTM=0.571 ipTM=0.164 tol=9.86
2024-12-09 23:56:15,452 alphafold2_multimer_v3_model_1_seed_000 recycle=4 pLDDT=76.2 pTM=0.577 ipTM=0.182 tol=3.91
2024-12-09 23:56:37,461 alphafold2_multimer_v3_model_1_seed_000 recycle=5 pLDDT=76.3 pTM=0.581 ipTM=0.192 tol=1.84
2024-12-09 23:56:59,495 alphafold2_multimer_v3_model_1_seed_000 recycle=6 pLDDT=76.2 pTM=0.584 ipTM=0.2 tol=1.43
2024-12-09 23:57:21,546 alphafold2_multimer_v3_model_1_seed_000 recycle=7 pLDDT=76.1 pTM=0.588 ipTM=0.213 tol=1.19
2024-12-09 23:57:43,599 alphafold2_multimer_v3_model_1_seed_000 recycle=8 pLDDT=76 pTM=0.588 ipTM=0.215 tol=0.851
2024-12-09 23:58:05,665 alphafold2_multimer_v3_model_1_seed_000 recycle=9 pLDDT=75.9 pTM=0.587 ipTM=0.216 tol=0.54
2024-12-09 23:58:27,737 alphafold2_multimer_v3_model_1_seed_000 recycle=10 pLDDT=75.9 pTM=0.59 ipTM=0.22 tol=0.436
2024-12-09 23:58:27,738 alphafold2_multimer_v3_model_1_seed_000 took 349.5s (10 recycles)
2024-12-09 23:58:50,466 alphafold2_multimer_v3_model_2_seed_000 recycle=0 pLDDT=74.7 pTM=0.568 ipTM=0.161
2024-12-09 23:59:12,638 alphafold2_multimer_v3_model_2_seed_000 recycle=1 pLDDT=76.5 pTM=0.585 ipTM=0.182 tol=6.58
2024-12-09 23:59:34,768 alphafold2_multimer_v3_model_2_seed_000 recycle=2 pLDDT=76.6 pTM=0.588 ipTM=0.195 tol=3.95
2024-12-09 23:59:56,913 alphafold2_multimer_v3_model_2_seed_000 recycle=3 pLDDT=76.8 pTM=0.588 ipTM=0.193 tol=5.56
2024-12-10 00:00:19,063 alphafold2_multimer_v3_model_2_seed_000 recycle=4 pLDDT=77.2 pTM=0.589 ipTM=0.196 tol=4.28
2024-12-10 00:00:41,210 alphafold2_multimer_v3_model_2_seed_000 recycle=5 pLDDT=76.8 pTM=0.589 ipTM=0.198 tol=1.7
2024-12-10 00:01:03,369 alphafold2_multimer_v3_model_2_seed_000 recycle=6 pLDDT=76.8 pTM=0.594 ipTM=0.211 tol=1.02
2024-12-10 00:01:25,534 alphafold2_multimer_v3_model_2_seed_000 recycle=7 pLDDT=76.8 pTM=0.598 ipTM=0.221 tol=1.01
2024-12-10 00:01:47,708 alphafold2_multimer_v3_model_2_seed_000 recycle=8 pLDDT=76.8 pTM=0.596 ipTM=0.215 tol=0.766
2024-12-10 00:02:09,869 alphafold2_multimer_v3_model_2_seed_000 recycle=9 pLDDT=76.8 pTM=0.594 ipTM=0.21 tol=0.828
2024-12-10 00:02:32,031 alphafold2_multimer_v3_model_2_seed_000 recycle=10 pLDDT=76.8 pTM=0.593 ipTM=0.211 tol=2.25
2024-12-10 00:02:54,203 alphafold2_multimer_v3_model_2_seed_000 recycle=11 pLDDT=76.9 pTM=0.592 ipTM=0.21 tol=0.674
2024-12-10 00:03:16,397 alphafold2_multimer_v3_model_2_seed_000 recycle=12 pLDDT=76.8 pTM=0.591 ipTM=0.205 tol=0.373
2024-12-10 00:03:16,398 alphafold2_multimer_v3_model_2_seed_000 took 287.9s (12 recycles)
2024-12-10 00:03:39,309 alphafold2_multimer_v3_model_3_seed_000 recycle=0 pLDDT=75.6 pTM=0.57 ipTM=0.168
2024-12-10 00:04:01,583 alphafold2_multimer_v3_model_3_seed_000 recycle=1 pLDDT=75.9 pTM=0.599 ipTM=0.218 tol=13.5
2024-12-10 00:04:23,848 alphafold2_multimer_v3_model_3_seed_000 recycle=2 pLDDT=76.2 pTM=0.62 ipTM=0.279 tol=4.19
2024-12-10 00:04:46,159 alphafold2_multimer_v3_model_3_seed_000 recycle=3 pLDDT=76.3 pTM=0.612 ipTM=0.264 tol=3.16
2024-12-10 00:05:08,443 alphafold2_multimer_v3_model_3_seed_000 recycle=4 pLDDT=76.1 pTM=0.61 ipTM=0.258 tol=2.08
2024-12-10 00:05:30,724 alphafold2_multimer_v3_model_3_seed_000 recycle=5 pLDDT=76.1 pTM=0.607 ipTM=0.246 tol=4.39
2024-12-10 00:05:53,027 alphafold2_multimer_v3_model_3_seed_000 recycle=6 pLDDT=76.1 pTM=0.615 ipTM=0.272 tol=2.57
2024-12-10 00:06:15,352 alphafold2_multimer_v3_model_3_seed_000 recycle=7 pLDDT=76.1 pTM=0.611 ipTM=0.265 tol=2.18
2024-12-10 00:06:37,710 alphafold2_multimer_v3_model_3_seed_000 recycle=8 pLDDT=76.3 pTM=0.614 ipTM=0.266 tol=3.98
2024-12-10 00:07:00,008 alphafold2_multimer_v3_model_3_seed_000 recycle=9 pLDDT=76.2 pTM=0.614 ipTM=0.273 tol=3.02
2024-12-10 00:07:22,290 alphafold2_multimer_v3_model_3_seed_000 recycle=10 pLDDT=76.2 pTM=0.611 ipTM=0.271 tol=2.02
2024-12-10 00:07:44,609 alphafold2_multimer_v3_model_3_seed_000 recycle=11 pLDDT=76.1 pTM=0.609 ipTM=0.26 tol=2.92
2024-12-10 00:08:06,918 alphafold2_multimer_v3_model_3_seed_000 recycle=12 pLDDT=76.1 pTM=0.614 ipTM=0.273 tol=1.23
2024-12-10 00:08:29,236 alphafold2_multimer_v3_model_3_seed_000 recycle=13 pLDDT=76.2 pTM=0.613 ipTM=0.272 tol=1.16
2024-12-10 00:08:51,547 alphafold2_multimer_v3_model_3_seed_000 recycle=14 pLDDT=76.1 pTM=0.611 ipTM=0.265 tol=2.86
2024-12-10 00:09:13,857 alphafold2_multimer_v3_model_3_seed_000 recycle=15 pLDDT=76 pTM=0.614 ipTM=0.277 tol=2.17
2024-12-10 00:09:36,185 alphafold2_multimer_v3_model_3_seed_000 recycle=16 pLDDT=76.4 pTM=0.621 ipTM=0.293 tol=3.27
2024-12-10 00:09:58,518 alphafold2_multimer_v3_model_3_seed_000 recycle=17 pLDDT=76 pTM=0.601 ipTM=0.238 tol=3.14
2024-12-10 00:10:20,834 alphafold2_multimer_v3_model_3_seed_000 recycle=18 pLDDT=76.1 pTM=0.611 ipTM=0.27 tol=1.86
2024-12-10 00:10:43,131 alphafold2_multimer_v3_model_3_seed_000 recycle=19 pLDDT=76.2 pTM=0.616 ipTM=0.281 tol=2.29
2024-12-10 00:11:05,398 alphafold2_multimer_v3_model_3_seed_000 recycle=20 pLDDT=76.1 pTM=0.607 ipTM=0.257 tol=1.91
2024-12-10 00:11:27,647 alphafold2_multimer_v3_model_3_seed_000 recycle=21 pLDDT=76.1 pTM=0.611 ipTM=0.269 tol=0.953
2024-12-10 00:11:49,997 alphafold2_multimer_v3_model_3_seed_000 recycle=22 pLDDT=76.1 pTM=0.603 ipTM=0.239 tol=1.04
2024-12-10 00:12:12,359 alphafold2_multimer_v3_model_3_seed_000 recycle=23 pLDDT=76.1 pTM=0.604 ipTM=0.243 tol=3.84
2024-12-10 00:12:34,664 alphafold2_multimer_v3_model_3_seed_000 recycle=24 pLDDT=75.9 pTM=0.609 ipTM=0.262 tol=1.64
2024-12-10 00:12:56,957 alphafold2_multimer_v3_model_3_seed_000 recycle=25 pLDDT=76 pTM=0.608 ipTM=0.261 tol=1.78
2024-12-10 00:13:19,279 alphafold2_multimer_v3_model_3_seed_000 recycle=26 pLDDT=75.9 pTM=0.604 ipTM=0.243 tol=2.35
2024-12-10 00:13:41,581 alphafold2_multimer_v3_model_3_seed_000 recycle=27 pLDDT=76 pTM=0.61 ipTM=0.261 tol=1.54
2024-12-10 00:14:03,889 alphafold2_multimer_v3_model_3_seed_000 recycle=28 pLDDT=75.9 pTM=0.608 ipTM=0.259 tol=0.716
2024-12-10 00:14:26,192 alphafold2_multimer_v3_model_3_seed_000 recycle=29 pLDDT=76 pTM=0.608 ipTM=0.255 tol=1.96
2024-12-10 00:14:48,497 alphafold2_multimer_v3_model_3_seed_000 recycle=30 pLDDT=75.9 pTM=0.609 ipTM=0.259 tol=0.947
2024-12-10 00:14:48,498 alphafold2_multimer_v3_model_3_seed_000 took 691.4s (30 recycles)
2024-12-10 00:15:11,430 alphafold2_multimer_v3_model_4_seed_000 recycle=0 pLDDT=74.8 pTM=0.572 ipTM=0.162
2024-12-10 00:15:33,705 alphafold2_multimer_v3_model_4_seed_000 recycle=1 pLDDT=75.5 pTM=0.583 ipTM=0.179 tol=10.1
2024-12-10 00:15:55,925 alphafold2_multimer_v3_model_4_seed_000 recycle=2 pLDDT=76.1 pTM=0.593 ipTM=0.204 tol=3.87
2024-12-10 00:16:18,152 alphafold2_multimer_v3_model_4_seed_000 recycle=3 pLDDT=76.2 pTM=0.587 ipTM=0.191 tol=2.12
2024-12-10 00:16:40,419 alphafold2_multimer_v3_model_4_seed_000 recycle=4 pLDDT=75.6 pTM=0.586 ipTM=0.19 tol=2.9
2024-12-10 00:17:02,668 alphafold2_multimer_v3_model_4_seed_000 recycle=5 pLDDT=76.1 pTM=0.597 ipTM=0.219 tol=2.42
2024-12-10 00:17:24,924 alphafold2_multimer_v3_model_4_seed_000 recycle=6 pLDDT=76.2 pTM=0.586 ipTM=0.187 tol=1.21
2024-12-10 00:17:47,182 alphafold2_multimer_v3_model_4_seed_000 recycle=7 pLDDT=75.8 pTM=0.595 ipTM=0.211 tol=2.66
2024-12-10 00:18:09,425 alphafold2_multimer_v3_model_4_seed_000 recycle=8 pLDDT=75.9 pTM=0.591 ipTM=0.209 tol=1.77
2024-12-10 00:18:31,664 alphafold2_multimer_v3_model_4_seed_000 recycle=9 pLDDT=75.9 pTM=0.592 ipTM=0.204 tol=1.33
2024-12-10 00:18:53,956 alphafold2_multimer_v3_model_4_seed_000 recycle=10 pLDDT=76.1 pTM=0.592 ipTM=0.206 tol=1.37
2024-12-10 00:19:16,289 alphafold2_multimer_v3_model_4_seed_000 recycle=11 pLDDT=76 pTM=0.593 ipTM=0.207 tol=0.867
2024-12-10 00:19:38,631 alphafold2_multimer_v3_model_4_seed_000 recycle=12 pLDDT=76.4 pTM=0.601 ipTM=0.224 tol=0.941
2024-12-10 00:20:00,934 alphafold2_multimer_v3_model_4_seed_000 recycle=13 pLDDT=76.2 pTM=0.601 ipTM=0.226 tol=0.862
2024-12-10 00:20:23,180 alphafold2_multimer_v3_model_4_seed_000 recycle=14 pLDDT=76.3 pTM=0.619 ipTM=0.285 tol=2.11
2024-12-10 00:20:45,468 alphafold2_multimer_v3_model_4_seed_000 recycle=15 pLDDT=76.5 pTM=0.602 ipTM=0.236 tol=2.94
2024-12-10 00:21:07,803 alphafold2_multimer_v3_model_4_seed_000 recycle=16 pLDDT=76.5 pTM=0.598 ipTM=0.222 tol=1.48
2024-12-10 00:21:30,029 alphafold2_multimer_v3_model_4_seed_000 recycle=17 pLDDT=76.6 pTM=0.632 ipTM=0.325 tol=2.93
2024-12-10 00:21:52,268 alphafold2_multimer_v3_model_4_seed_000 recycle=18 pLDDT=76.8 pTM=0.625 ipTM=0.296 tol=1.77
2024-12-10 00:22:14,552 alphafold2_multimer_v3_model_4_seed_000 recycle=19 pLDDT=76.4 pTM=0.607 ipTM=0.25 tol=1.73
2024-12-10 00:22:36,834 alphafold2_multimer_v3_model_4_seed_000 recycle=20 pLDDT=76.6 pTM=0.617 ipTM=0.275 tol=1.33
2024-12-10 00:22:59,146 alphafold2_multimer_v3_model_4_seed_000 recycle=21 pLDDT=76.3 pTM=0.607 ipTM=0.25 tol=2.37
2024-12-10 00:23:21,484 alphafold2_multimer_v3_model_4_seed_000 recycle=22 pLDDT=76.2 pTM=0.599 ipTM=0.227 tol=1.74
2024-12-10 00:23:43,795 alphafold2_multimer_v3_model_4_seed_000 recycle=23 pLDDT=76.3 pTM=0.609 ipTM=0.254 tol=1.59
2024-12-10 00:24:06,082 alphafold2_multimer_v3_model_4_seed_000 recycle=24 pLDDT=76.2 pTM=0.606 ipTM=0.253 tol=1.46
2024-12-10 00:24:28,397 alphafold2_multimer_v3_model_4_seed_000 recycle=25 pLDDT=76.1 pTM=0.604 ipTM=0.243 tol=0.643
2024-12-10 00:24:50,721 alphafold2_multimer_v3_model_4_seed_000 recycle=26 pLDDT=76.4 pTM=0.62 ipTM=0.282 tol=1.95
2024-12-10 00:25:12,992 alphafold2_multimer_v3_model_4_seed_000 recycle=27 pLDDT=76.6 pTM=0.61 ipTM=0.253 tol=2.66
2024-12-10 00:25:35,271 alphafold2_multimer_v3_model_4_seed_000 recycle=28 pLDDT=76.4 pTM=0.601 ipTM=0.232 tol=1.6
2024-12-10 00:25:57,528 alphafold2_multimer_v3_model_4_seed_000 recycle=29 pLDDT=76.3 pTM=0.607 ipTM=0.25 tol=1.7
2024-12-10 00:26:19,820 alphafold2_multimer_v3_model_4_seed_000 recycle=30 pLDDT=76.4 pTM=0.603 ipTM=0.234 tol=2.78
2024-12-10 00:26:19,821 alphafold2_multimer_v3_model_4_seed_000 took 690.6s (30 recycles)
2024-12-10 00:26:42,665 alphafold2_multimer_v3_model_5_seed_000 recycle=0 pLDDT=74.6 pTM=0.582 ipTM=0.197
2024-12-10 00:27:04,945 alphafold2_multimer_v3_model_5_seed_000 recycle=1 pLDDT=75.5 pTM=0.59 ipTM=0.208 tol=7.18
2024-12-10 00:27:27,210 alphafold2_multimer_v3_model_5_seed_000 recycle=2 pLDDT=76.3 pTM=0.641 ipTM=0.349 tol=3.09
2024-12-10 00:27:49,468 alphafold2_multimer_v3_model_5_seed_000 recycle=3 pLDDT=77.1 pTM=0.639 ipTM=0.344 tol=4.14
2024-12-10 00:28:11,757 alphafold2_multimer_v3_model_5_seed_000 recycle=4 pLDDT=77.1 pTM=0.618 ipTM=0.272 tol=2.04
2024-12-10 00:28:34,028 alphafold2_multimer_v3_model_5_seed_000 recycle=5 pLDDT=76.7 pTM=0.635 ipTM=0.326 tol=3.28
2024-12-10 00:28:56,302 alphafold2_multimer_v3_model_5_seed_000 recycle=6 pLDDT=76.8 pTM=0.638 ipTM=0.33 tol=0.938
2024-12-10 00:29:18,569 alphafold2_multimer_v3_model_5_seed_000 recycle=7 pLDDT=76.9 pTM=0.642 ipTM=0.343 tol=1.91
2024-12-10 00:29:40,847 alphafold2_multimer_v3_model_5_seed_000 recycle=8 pLDDT=77 pTM=0.633 ipTM=0.319 tol=1.05
2024-12-10 00:30:03,128 alphafold2_multimer_v3_model_5_seed_000 recycle=9 pLDDT=76.9 pTM=0.636 ipTM=0.328 tol=0.966
2024-12-10 00:30:25,425 alphafold2_multimer_v3_model_5_seed_000 recycle=10 pLDDT=76.8 pTM=0.622 ipTM=0.281 tol=1.07
2024-12-10 00:30:47,723 alphafold2_multimer_v3_model_5_seed_000 recycle=11 pLDDT=76.4 pTM=0.634 ipTM=0.323 tol=3
2024-12-10 00:31:10,027 alphafold2_multimer_v3_model_5_seed_000 recycle=12 pLDDT=76.7 pTM=0.637 ipTM=0.331 tol=2.13
2024-12-10 00:31:32,332 alphafold2_multimer_v3_model_5_seed_000 recycle=13 pLDDT=76.7 pTM=0.623 ipTM=0.28 tol=1.64
2024-12-10 00:31:54,627 alphafold2_multimer_v3_model_5_seed_000 recycle=14 pLDDT=76.3 pTM=0.627 ipTM=0.308 tol=2.07
2024-12-10 00:32:16,903 alphafold2_multimer_v3_model_5_seed_000 recycle=15 pLDDT=76.4 pTM=0.636 ipTM=0.331 tol=1.3
2024-12-10 00:32:39,258 alphafold2_multimer_v3_model_5_seed_000 recycle=16 pLDDT=76.8 pTM=0.628 ipTM=0.294 tol=1.31
2024-12-10 00:33:01,541 alphafold2_multimer_v3_model_5_seed_000 recycle=17 pLDDT=76.4 pTM=0.628 ipTM=0.31 tol=2.13
2024-12-10 00:33:23,806 alphafold2_multimer_v3_model_5_seed_000 recycle=18 pLDDT=76.6 pTM=0.637 ipTM=0.332 tol=1.73
2024-12-10 00:33:46,113 alphafold2_multimer_v3_model_5_seed_000 recycle=19 pLDDT=76.7 pTM=0.62 ipTM=0.273 tol=1.46
2024-12-10 00:34:08,406 alphafold2_multimer_v3_model_5_seed_000 recycle=20 pLDDT=76.2 pTM=0.627 ipTM=0.303 tol=1.57
2024-12-10 00:34:30,703 alphafold2_multimer_v3_model_5_seed_000 recycle=21 pLDDT=76.3 pTM=0.629 ipTM=0.311 tol=0.695
2024-12-10 00:34:52,997 alphafold2_multimer_v3_model_5_seed_000 recycle=22 pLDDT=76.5 pTM=0.632 ipTM=0.319 tol=0.701
2024-12-10 00:35:15,291 alphafold2_multimer_v3_model_5_seed_000 recycle=23 pLDDT=76.4 pTM=0.629 ipTM=0.309 tol=0.796
2024-12-10 00:35:37,562 alphafold2_multimer_v3_model_5_seed_000 recycle=24 pLDDT=76.6 pTM=0.632 ipTM=0.316 tol=1.67
2024-12-10 00:35:59,867 alphafold2_multimer_v3_model_5_seed_000 recycle=25 pLDDT=76.7 pTM=0.622 ipTM=0.283 tol=1.43
2024-12-10 00:36:22,167 alphafold2_multimer_v3_model_5_seed_000 recycle=26 pLDDT=76.2 pTM=0.624 ipTM=0.296 tol=2.65
2024-12-10 00:36:44,449 alphafold2_multimer_v3_model_5_seed_000 recycle=27 pLDDT=76.5 pTM=0.638 ipTM=0.332 tol=1.93
2024-12-10 00:37:06,770 alphafold2_multimer_v3_model_5_seed_000 recycle=28 pLDDT=76.5 pTM=0.617 ipTM=0.267 tol=1.42
2024-12-10 00:37:29,077 alphafold2_multimer_v3_model_5_seed_000 recycle=29 pLDDT=76.2 pTM=0.629 ipTM=0.313 tol=1.78
2024-12-10 00:37:51,368 alphafold2_multimer_v3_model_5_seed_000 recycle=30 pLDDT=76.4 pTM=0.626 ipTM=0.303 tol=0.536
2024-12-10 00:37:51,369 alphafold2_multimer_v3_model_5_seed_000 took 690.8s (30 recycles)
2024-12-10 00:37:52,092 reranking models by 'multimer' metric
2024-12-10 00:37:53,518 Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
2024-12-10 00:38:37,020 Relaxation took 44.9s
2024-12-10 00:38:37,020 rank_001_alphafold2_multimer_v3_model_5_seed_000 pLDDT=76.4 pTM=0.626 ipTM=0.303
2024-12-10 00:41:06,000 Relaxation took 149.0s
2024-12-10 00:41:06,000 rank_002_alphafold2_multimer_v3_model_3_seed_000 pLDDT=75.9 pTM=0.609 ipTM=0.259
2024-12-10 00:47:42,822 Relaxation took 396.8s
2024-12-10 00:47:42,823 rank_003_alphafold2_multimer_v3_model_4_seed_000 pLDDT=76.4 pTM=0.603 ipTM=0.234
2024-12-10 00:49:46,975 Relaxation took 124.2s
2024-12-10 00:49:46,975 rank_004_alphafold2_multimer_v3_model_1_seed_000 pLDDT=75.9 pTM=0.59 ipTM=0.22
2024-12-10 00:51:32,296 Relaxation took 105.3s
2024-12-10 00:51:32,296 rank_005_alphafold2_multimer_v3_model_2_seed_000 pLDDT=76.8 pTM=0.591 ipTM=0.205
2024-12-10 00:51:34,523 Done