Project name: d2ec486fbcd733d

Chain sequence(s)	A: DEAQFKECYDTCHKECSDKGNGFTFCEMKCDTDCSVKDVKEKLENYKPKN
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[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.                                          (00:00:01)

• Minimal score value: -4.1225
• Maximal score value: 1.7933
• Average score: -1.8546
• Total score value: -92.7313

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
1	D	A	-3.2444
2	E	A	-3.4850
3	A	A	-2.6881
4	Q	A	-3.1473
5	F	A	-3.0195
6	K	A	-3.8387
7	E	A	-3.4996
8	C	A	-2.6226
9	Y	A	-3.0175
10	D	A	-3.6111
11	T	A	-2.5666
12	C	A	-2.9444
13	H	A	-2.6530
14	K	A	-3.8515
15	E	A	-4.1225
16	C	A	0.0000
17	S	A	-2.6389
18	D	A	-4.0521
19	K	A	-3.7467
20	G	A	-2.2623
21	N	A	-1.2072
22	G	A	0.3266
23	F	A	1.7933
24	T	A	1.2706
25	F	A	1.7924
26	C	A	0.0000
27	E	A	-0.3550
28	M	A	0.1179
29	K	A	-1.1169
30	C	A	0.0000
31	D	A	-2.2183
32	T	A	-1.4524
33	D	A	-1.8244
34	C	A	0.0000
35	S	A	-0.5682
36	V	A	-0.0090
37	K	A	-1.9474
38	D	A	-1.6488
39	V	A	-0.2182
40	K	A	-2.0914
41	E	A	-2.9407
42	K	A	-2.5780
43	L	A	-1.0601
44	E	A	-2.6756
45	N	A	-2.4454
46	Y	A	-1.2493
47	K	A	-2.3997
48	P	A	-1.8940
49	K	A	-2.7198
50	N	A	-2.4005