Project name: 80d13690fe4a1d0

Status: error

Started: 2026-03-26 00:52:21
Chain sequence(s) 1: MQMAKVCGTVVGTQKLPSMTGVKLLLLQFIDANGELLPKYEVAADPVGAGLGEWVLVNRGSAARQTEYHQNRPLDAMVVAIIDTVTVNNRRLYG
0: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
3: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
2: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
5: MQMAKVCGTVVGTQKLPSMTGVKLLLLQFIDANGELLPKYEVAADPVGAGLGEWVLVNRGSAARQTEYHQNRPLDAMVVAIIDTVTVNNRRLYG
4: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
7: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
6: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
9: MQMAKVCGTVVGTQKLPSMTGVKLLLLQFIDANGELLPKYEVAADPVGAGLGEWVLVNRGSAARQTEYHQNRPLDAMVVAIIDTVTVNNRRLYG
8: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
A: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
C: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
B: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
E: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
D: MQMAKVCGTVVGTQKLPSMTGVKLLLLQFIDANGELLPKYEVAADPVGAGLGEWVLVNRGSAARQTEYHQNRPLDAMVVAIIDTVTVNNRRLYG
G: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
F: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
I: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
H: MQMAKVCGTVVGTQKLPSMTGVKLLLLQFIDANGELLPKYEVAADPVGAGLGEWVLVNRGSAARQTEYHQNRPLDAMVVAIIDTVTVNNRRLYG
K: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
J: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
M: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
L: MQMAKVCGTVVGTQKLPSMTGVKLLLLQFIDANGELLPKYEVAADPVGAGLGEWVLVNRGSAARQTEYHQNRPLDAMVVAIIDTVTVNNRRLYG
O: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
N: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
Q: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
P: MQMAKVCGTVVGTQKLPSMTGVKLLLLQFIDANGELLPKYEVAADPVGAGLGEWVLVNRGSAARQTEYHQNRPLDAMVVAIIDTVTVNNRRLYG
S: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
R: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
U: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
T: MQMAKVCGTVVGTQKLPSMTGVKLLLLQFIDANGELLPKYEVAADPVGAGLGEWVLVNRGSAARQTEYHQNRPLDAMVVAIIDTVTVNNRRLYG
W: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
V: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
Y: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
X: MQMAKVCGTVVGTQKLPSMTGVKLLLLQFIDANGELLPKYEVAADPVGAGLGEWVLVNRGSAARQTEYHQNRPLDAMVVAIIDTVTVNNRRLYG
Z: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
a: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
c: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
b: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
e: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
d: MQMAKVCGTVVGTQKLPSMTGVKLLLLQFIDANGELLPKYEVAADPVGAGLGEWVLVNRGSAARQTEYHQNRPLDAMVVAIIDTVTVNNRRLYG
g: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
f: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
i: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
h: MQMAKVCGTVVGTQKLPSMTGVKLLLLQFIDANGELLPKYEVAADPVGAGLGEWVLVNRGSAARQTEYHQNRPLDAMVVAIIDTVTVNNRRLYG
k: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
j: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
m: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
l: MQMAKVCGTVVGTQKLPSMTGVKLLLLQFIDANGELLPKYEVAADPVGAGLGEWVLVNRGSAARQTEYHQNRPLDAMVVAIIDTVTVNNRRLYG
o: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
n: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
q: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
p: MQMAKVCGTVVGTQKLPSMTGVKLLLLQFIDANGELLPKYEVAADPVGAGLGEWVLVNRGSAARQTEYHQNRPLDAMVVAIIDTVTVNNRRLYG
s: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
r: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
u: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
t: MQMAKVCGTVVGTQKLPSMTGVKLLLLQFIDANGELLPKYEVAADPVGAGLGEWVLVNRGSAARQTEYHQNRPLDAMVVAIIDTVTVNNRRLYG
w: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
v: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
y: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
x: MQMAKVCGTVVGTQKLPSMTGVKLLLLQFIDANGELLPKYEVAADPVGAGLGEWVLVNRGSAARQTEYHQNRPLDAMVVAIIDTVTVNNRRLYG
z: AVAVGMIETLGFPAVVEAADAMVKAARVTLVGYEKIGTGRVTVIVRGDVSEVQASVSAGTESVKRVNGGQVLSTHIIARPHENLEYVLPIRYTEEVEQFR
input PDB
Selected Chain(s) 1,0,3,2,5,4,7,6,9,8,A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,S,R,U,T,W,V,Y,X,Z,a,c,b,e,d,g,f,i,h,k,j,m,l,o,n,q,p,s,r,u,t,w,v,y,x,z
Distance of aggregation 10 Å
FoldX usage Yes
pH calculations Yes
alphaCutter 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/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 144, in run_job
    analyze(
  File "/home/users/lcbio/Aggrescan4D-webserver-implementation/aggrescan/analysis.py", line 32, in aggregation_analysis
    _run_aggrescan(target=target, working_dir=working_dir, config=config)
  File "/home/users/lcbio/Aggrescan4D-webserver-implementation/aggrescan/analysis.py", line 49, in _run_aggrescan
    out = run_aggrescan_4d(
          ^^^^^^^^^^^^^^^^^
  File "/home/users/lcbio/Aggrescan4D-webserver-implementation/aggrescan/aggrescan_4d.py", line 498, in run
    pkaani_exec_and_parse(work_dir)
  File "/home/users/lcbio/Aggrescan4D-webserver-implementation/aggrescan/aggrescan_4d.py", line 455, in pkaani_exec_and_parse
    pkaani_output = subprocess.check_output(pkaani_cmd, cwd=work_dir)
                    ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/users/lcbio/mambaforge/envs/Aggrescan4D/lib/python3.11/subprocess.py", line 466, in check_output
    return run(*popenargs, stdout=PIPE, timeout=timeout, check=True,
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/users/lcbio/mambaforge/envs/Aggrescan4D/lib/python3.11/subprocess.py", line 571, in run
    raise CalledProcessError(retcode, process.args,
subprocess.CalledProcessError: Command '['conda', 'run', '-n', 'pkaani', '--live-stream', 'pkaani', '-i', '/STORAGE/DATA/lcbio/aggreskan/80d13690fe4a1d0/tmp/folded.pdb']' returned non-zero exit status 1.