Project name: CAT [mutate: TL322A, NF227A, TM384A, TS229A, AM386A] [mutate: TL322A, NF227A, TM384A, TS229A, AM386A]

Status: error

Started: 2025-12-25 05:48:35
Settings
Chain sequence(s) A: SLPGHSTTGAGAPAPSDRNSLTVGSDGPLVLHDVHFLEQMAHFNREKVPERQPHAKGSGAFGVFETTEDVSRYTKAALFQKGCRTEMLARFSTVAGESGSPDTWRDVRGFSLKFYTTEGNYDLVGNNTPVFFVRDPMKFPHFIRSQKRLPDSGLRDAHMQWDFWTNNPESAHQVTYLMGDRGIPQSWRHMNGFGSHTYMWVNAAGEKFWVKYHFHNQQGEKNLTNEEAARIAGMDADYHRRDLFEAIARGDHPKWVMSVQVMPYAQAKTYRFNPFDLTKVWPHKDYPLIKVGVMTLNRNPANFFAEIEQAAFSPGNTVPGIGLSPDKMLLGRAFAYNDAHRARIGTNFHQLPVNRPKVPVNTYMFDGSMTYEHAGNAATYAPNSQGRAWADGGAAPEESWEVDTSLVREAYKLRKDDDDFGQAGTLVRDVFDDAQRQRLVDTVVGTLKSGVRAPVLERVFDYWKKVDADIGRRIEAQYKA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues TL322A,NF227A,AM386A,TM384A,TS229A
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/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/__main__.py", line 37, in run_program
    a.run_job()
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/newRunJob.py", line 109, in run_job
    self.cleanup()
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/newRunJob.py", line 187, in cleanup
    shutil.move(join(self.tmp_dir, "A3D.csv"), join(self.work_dir, "A3D.csv"))
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/shutil.py", line 325, in move
    copy2(src, real_dst)
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/shutil.py", line 153, in copy2
    copyfile(src, dst)
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/shutil.py", line 96, in copyfile
    with open(src, 'rb') as fsrc:
IOError: [Errno 2] No such file or directory: '/STORAGE/DATA/lcbio/aggreskan/e5c41de59891637/tmp/A3D.csv'

Laboratory of Theory of Biopolymers 2018