| Chain sequence(s) |
A: APPCLDGSPCANGGRCTQLPSREAACLCPPGWVGERCQLEDPCHSGPCAGRGVCQSSVVAGTARFSCRCPRGFRGPDCSLPDPCLSSPCAHGARCSVGPDGRFLCSCPPGYQGRSCRSDVDECRVGEPCRHGGTCLNTPGSFRCQCPAGYTGPLCENPAVPCAPSPCRNGGTCRQSGDLTYDCACLPGFEGQNCEVNVDDCPGHRCLNGGTCVDGVNTYNCQCPPEWTGQFCTEDVDECQLQPNACHNGGTCFNTLGGHSCVCVNGWTGESCSQNIDDCATAVCFHGATCHDRVASFYCACPMGKTGLLCHLDDACVSNPCHEDAICDTNPVNGRAICTCPPGFTGGACDQDVDECSIGANPCEHLGRCVNTQGSFLCQCGRGYTGPRCETDVNECLSGPCRNQATCLDRIGQFTCICMAGFTGTYCEVDIDECQSSPCVNGGVCKDRVNGFSCTCPSGFSGSTCQLDVDECASTPCRNGAKCVDQPDGYECRCAEGFEGTLCDRNVDDCSPDPCHHGRCVDGIASFSCACAPGYTGTRCESQVDECRSQPCRHGGKCLDLVDKYLCRCPSGTTGVNCEVNIDDCASNPCTFGVCRDGINRYDCVCQPGFTGPLCNVEINECASSPCGEGGSCVDGENGFRCLCPPGSLPPLCLPPSHPCAHEPCSHGICYDAPGGFRCVCEPGWSGPRCSQSLARDACESQPCRAGGTCSSDGMGFHCTCPPGVQGRQCELLSPCTPNPCEHGGRCESAPGQLPVCSCPQGWQGPRCQQDVDECAGPAPCGPHGICTNLAGSFSCTCHGGYTGPSCDQDINDCDPNPCLNGGSCQDGVGSFSCSCLPGFAGPRCARDVDECLSNPCGPGTCTDHVASFTCTCPPGYGGFHCEQDLPDCSPSSCFNGGTCVDGVNSFSCLCRPGYTGAHCQHEADPCLSRPCLHGGVCSAAHPGFRCTCLESFTGPQCQTLVDWCSRQPCQNGGRCVQTGAYCLCPPGWSGRLCDIRSLPCREAAAQIGVRLEQLCQAGGQCVDEDSSHYCVCPEGRTGSHCEQEVDPCLAQPCQHGGTCRGYMGGYMCECLPGYNGDNCEDDVDECASQPCQHGGSCIDLVARYLCSCPPGTLGVLCEINEDDCGPGPPLDSGPRCLHNGTCVDLVGGFRCTCPPGYTGLRCEADINECRSGACHAAHTRDCLQDPGGGFRCLCHAGFSGPRCQTVLSPCESQPCQHGGQCRPSPGPGGGLTFTCHCAQPFWGPRCERVARSCRELQCPVGVPCQQTPRGPRCACPPGLSGPSCRSFPGSPPGASNASCAAAPCLHGGSCRPAPLAPFFRCACAQGWTGPRCEAPAAAPEVSEEPRCPRAACQAKRGDQRCDRECNSPGCGWDGGDCSLSVGDPWRQCEALQCWRLFNNSRCDPACSSPACLYDNFDCHAGGRERTCNPVYEKYCADHFADGRCDQGCNTEECGWDGLDCASEVPALLARGVLVLTVLLPPEELLRSSADFLQRLSAILRTSLRFRLDAHGQAMVFPYHRPSPGSEPRARR
input PDB |
| Selected Chain(s) | A |
| Distance of aggregation | 10 Å |
| FoldX usage | Yes |
| pH calculations | No |
| alphaCutter usage | No |
| Dynamic mode | Yes |
| Automated mutations | No |
| Mutated residues | RP75A |
| 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/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: 'CABS_average.pdb' -> '/STORAGE/DATA/lcbio/aggreskan/3c58e99da893a18/models/CABS_average.pdb'
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 141, in run_cabs
shutil.move("CABS_average.pdb", join(real_work_dir, "models", "CABS_average.pdb"))
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 258, in copyfile
with open(dst, 'wb') as fdst:
^^^^^^^^^^^^^^^
FileNotFoundError: [Errno 2] No such file or directory: '/STORAGE/DATA/lcbio/aggreskan/3c58e99da893a18/models/CABS_average.pdb'
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