Project name: query_structure

Chain sequence(s)	A: LVAYGIAQGTAEKVVSLINAGLTVGSIISILGGVTVGLSGVFTAVKAAIAKQGIKKAIQL
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                                          (00:00:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:47)

• Minimal score value: -3.1475
• Maximal score value: 2.2154
• Average score: -0.2447
• Total score value: -14.6847

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	L	A	0.0000
2	V	A	0.0342
3	A	A	0.4293
4	Y	A	1.1526
5	G	A	0.1759
6	I	A	0.0310
7	A	A	-0.6912
8	Q	A	-1.8780
9	G	A	-1.6278
10	T	A	-1.5439
11	A	A	0.0000
12	E	A	-3.1475
13	K	A	-2.7638
14	V	A	0.0000
15	V	A	0.0000
16	S	A	-1.3222
17	L	A	-0.2751
18	I	A	0.0000
19	N	A	-1.0778
20	A	A	-0.3657
21	G	A	-0.3815
22	L	A	0.6017
23	T	A	0.2524
24	V	A	0.2887
25	G	A	0.2584
26	S	A	0.6596
27	I	A	0.0000
28	I	A	1.4911
29	S	A	1.0632
30	I	A	2.2154
31	L	A	2.0013
32	G	A	0.7624
33	G	A	1.0443
34	V	A	2.1242
35	T	A	1.5904
36	V	A	2.0914
37	G	A	0.6515
38	L	A	0.0000
39	S	A	0.1836
40	G	A	-0.0762
41	V	A	0.4085
42	F	A	0.0000
43	T	A	-0.1462
44	A	A	-0.0174
45	V	A	0.0000
46	K	A	-0.7460
47	A	A	-0.7001
48	A	A	0.0000
49	I	A	-1.2037
50	A	A	-0.9968
51	K	A	-2.2768
52	Q	A	-2.3208
53	G	A	-1.5561
54	I	A	-1.4301
55	K	A	-2.4046
56	K	A	-2.2688
57	A	A	0.0000
58	I	A	-1.5029
59	Q	A	-1.4498
60	L	A	-0.0250