Project name: a13bfbbf92ef32a

Chain sequence(s)	A: MLSDEDFKAVFGMTRSAFANLPLWKQQNLKKEKGLF
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
pH calculations	No
alphaCutter usage	No
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)

• Minimal score value: -4.1398
• Maximal score value: 1.9181
• Average score: -1.0602
• Total score value: -38.169

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
41	M	A	0.9357
42	L	A	-0.5788
43	S	A	-2.2275
44	D	A	-3.6196
45	E	A	-4.1398
46	D	A	-3.3597
47	F	A	0.0000
48	K	A	-3.2768
49	A	A	-1.7990
50	V	A	-1.0723
51	F	A	-0.8158
52	G	A	-0.5921
53	M	A	0.0953
54	T	A	-1.1338
55	R	A	-1.4657
56	S	A	-0.8011
57	A	A	-0.5485
58	F	A	0.0000
59	A	A	-0.6900
60	N	A	-1.0126
61	L	A	0.2367
62	P	A	0.5438
63	L	A	1.4223
64	W	A	1.0547
65	K	A	-0.3159
66	Q	A	-1.0494
67	Q	A	-1.9398
68	N	A	-2.5948
69	L	A	-1.7986
70	K	A	-2.5207
71	K	A	-3.0545
72	E	A	-3.1569
73	K	A	-1.6152
74	G	A	-0.3092
75	L	A	1.1125
76	F	A	1.9181