Project name: RSV_487L490T495L [mutate: EL424A, AT427A, VL432A, EL424C, AY427C, VK432C, EK424B, AW427B] [mutate: EL424A, AT427A, VL432A, EL424C, AY427C, VK432C, EK424B, AW427B]

Status: error

Started: 2025-12-11 14:30:18
Chain sequence(s) A: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKEPKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAAGGGGSAIASGIAVSKCLHLEGEVNKIKSALLSTNKAVVSLSCGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSIPNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVPIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPPEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAWIRKFDELLH
C: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKEPKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAAGGGGSAIASGIAVSKCLHLEGEVNKIKSALLSTNKAVVSLSCGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSIPNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVPIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPPEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAWIRKFDELLH
B: QNITEEFYQSTCSAVSKGYLSALRTGWYTSVITIELSNIKEPKCNGTDAKVKLIKQELDKYKNAVTELQLLMQSTPAAGGGGSAIASGIAVSKCLHLEGEVNKIKSALLSTNKAVVSLSCGVSVLTSKVLDLKNYIDKQLLPIVNKQSCSIPNIETVIEFQQKNNRLLEITREFSVNAGVTTPVSTYMLTNSELLSLINDMPITNDQKKLMSNNVPIVRQQSYSIMSIIKEEVLAYVVQLPLYGVIDTPCWKLHTSPLCTTNTKEGSNICLTRTDRGWYCDNAGSVSFFPQAETCKVQSNRVFCDTMNSLTLPPEVNLCNVDIFNPKYDCKIMTSKTDVSSSVITSLGAIVSCYGKTKCTASNKNRGIIKTFSNGCDYVSNKGVDTVSVGNTLYYVNKQEGKSLYVKGEPIINFYDPLVFPSDEFDASISQVNEKINQSLAWIRKFDELLH
input PDB
Selected Chain(s) A,C,B
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations No
alphaCutter usage No
Dynamic mode Yes
Automated mutations No
Mutated residues EK424B,VL432A,EL424A,AT427A,VK432C,AW427B,AY427C,EL424C
Energy difference between WT (input) and mutated protein (by FoldX) 0.0 kcal/mol
Error log 
Aggrescan encountered an error and it wasn't one we were expecting. 
Please see the the following Traceback, perhaps it will be helpfull in understanding what happened.
We would be grateful if you reported the incident to one of the authors so we can correct the error.
Traceback (most recent call last):
  File "/home/users/lcbio/Aggrescan4D-webserver-implementation/aggrescan/dynamic_module.py", line 59, in run_cabs
    _check_output(models_dir=real_models_dir, n_models=config["n_models"])
  File "/home/users/lcbio/Aggrescan4D-webserver-implementation/aggrescan/dynamic_module.py", line 286, in _check_output
    raise logger.CabsError
aggrescan.logger.CabsError

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "/home/users/lcbio/mambaforge/envs/Aggrescan4D/lib/python3.11/shutil.py", line 853, in move
    os.rename(src, real_dst)
FileNotFoundError: [Errno 2] No such file or directory: '/STORAGE/DATA/lcbio/aggreskan/90484495ec2f45a/CABS_sim/CABS.log' -> '/STORAGE/DATA/lcbio/aggreskan/90484495ec2f45a/CABS.log'

During handling of the above exception, another exception occurred:

Traceback (most recent call last):
  File "/home/users/lcbio/Aggrescan4D-webserver-implementation/aggrescan/__main__.py", line 46, in run_program
    a.run_job()
  File "/home/users/lcbio/Aggrescan4D-webserver-implementation/aggrescan/newRunJob.py", line 140, in run_job
    run_cabs(config=self.config)
  File "/home/users/lcbio/Aggrescan4D-webserver-implementation/aggrescan/dynamic_module.py", line 61, in run_cabs
    shutil.move(join(real_cabs_dir, "CABS.log"), join(real_work_dir, "CABS.log"))
  File "/home/users/lcbio/mambaforge/envs/Aggrescan4D/lib/python3.11/shutil.py", line 873, in move
    copy_function(src, real_dst)
  File "/home/users/lcbio/mambaforge/envs/Aggrescan4D/lib/python3.11/shutil.py", line 448, in copy2
    copyfile(src, dst, follow_symlinks=follow_symlinks)
  File "/home/users/lcbio/mambaforge/envs/Aggrescan4D/lib/python3.11/shutil.py", line 256, in copyfile
    with open(src, 'rb') as fsrc:
         ^^^^^^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: '/STORAGE/DATA/lcbio/aggreskan/90484495ec2f45a/CABS_sim/CABS.log'