Project name: testing-frontend

Chain sequence(s)	A: SEEEKKKLLERIKEYVEKNGPPEGVDKEEYIKKLFEELLKQLEKVNRIEKRGGPKPVG
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:46)

• Minimal score value: -4.6371
• Maximal score value: 0.934
• Average score: -2.7522
• Total score value: -159.626

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	S	A	-2.7166
2	E	A	-3.9630
3	E	A	-4.2497
4	E	A	-3.6167
5	K	A	-3.9525
6	K	A	-4.6371
7	K	A	-4.1905
8	L	A	-3.0033
9	L	A	-3.1269
10	E	A	-4.1846
11	R	A	-4.1031
12	I	A	0.0000
13	K	A	-4.1451
14	E	A	-4.3086
15	Y	A	-2.7185
16	V	A	0.0000
17	E	A	-4.0932
18	K	A	-3.6188
19	N	A	-2.7622
20	G	A	-2.5920
21	P	A	-2.2612
22	P	A	-1.5168
23	E	A	-2.2699
24	G	A	-1.5591
25	V	A	-1.7189
26	D	A	-3.2729
27	K	A	-3.9326
28	E	A	-4.1024
29	E	A	-3.8952
30	Y	A	-2.9635
31	I	A	0.0000
32	K	A	-3.7808
33	K	A	-3.5074
34	L	A	-2.1507
35	F	A	-2.5956
36	E	A	-3.0274
37	E	A	-3.2140
38	L	A	-2.0476
39	L	A	-2.3095
40	K	A	-3.3786
41	Q	A	-2.9348
42	L	A	-2.0931
43	E	A	-3.2721
44	K	A	-3.1154
45	V	A	-1.8771
46	N	A	-2.8875
47	R	A	-3.5438
48	I	A	-1.9484
49	E	A	-3.6322
50	K	A	-3.7118
51	R	A	-3.5340
52	G	A	-2.8495
53	G	A	-2.3297
54	P	A	-1.3704
55	K	A	-1.6536
56	P	A	-0.4227
57	V	A	0.9340
58	G	A	0.1026