Project name: hIgG1_WT

Status: error

Started: 2025-03-05 09:56:41
Settings
Chain sequence(s) A: PSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPQVKFNWYVDGVQVHNAKTKPREQQYNSTYRVVSVLTVLHQNWLDGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSREEMTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
Dynamic mode No
Automated mutations No
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 105, in run_job
    analyze(config=self.config, target="folded.pdb", working_dir=self.tmp_dir, agg_work_dir=self.work_dir)
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/analysis.py", line 27, in aggregation_analysis
    _run_aggrescan(target=target, working_dir=working_dir, config=config)
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/analysis.py", line 38, in _run_aggrescan
    out = run_aggrescan_3d(target, matrix_dir, config["distance"], working_dir, naccess=config["naccess"])
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/aggrescan_3d.py", line 251, in run
    filename="sasa.out", score_matrix=score_matrix, max_dist=max_dist)
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/aggrescan_3d.py", line 237, in parse_freesasa
    my_protein.change_res_rsa(res_number=residue_count, res_id=this_id, rsa=rsa)
  File "/home/users/lcbio/anaconda2/envs/exec/lib/python2.7/site-packages/aggrescan/aggrescan_3d.py", line 63, in change_res_rsa
    if self.residues[res_number].id() == res_id:
IndexError: list index out of range

Laboratory of Theory of Biopolymers 2018