Project name: query_structure

Chain sequence(s)	A: AVDLYVCLLCGSGNDEDRLLLCDGCDDSYHTFCLVPPLHDVPKGDWRCPKCLA
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]                                                (00:00:01)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -3.7845
• Maximal score value: 2.5283
• Average score: -0.5285
• Total score value: -28.0122

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	A	A	0.6044
2	V	A	1.5310
3	D	A	0.1213
4	L	A	1.4401
5	Y	A	1.0277
6	V	A	0.9139
7	C	A	0.0000
8	L	A	2.1611
9	L	A	2.5283
10	C	A	1.4875
11	G	A	0.8159
12	S	A	-0.0594
13	G	A	-0.8666
14	N	A	-2.6776
15	D	A	-3.7845
16	E	A	-3.6582
17	D	A	-3.5273
18	R	A	-2.3461
19	L	A	-1.2784
20	L	A	0.0000
21	L	A	-0.9857
22	C	A	0.0000
23	D	A	-3.3457
24	G	A	-2.2375
25	C	A	-1.7757
26	D	A	-2.5072
27	D	A	-1.3562
28	S	A	0.0000
29	Y	A	0.0000
30	H	A	0.0000
31	T	A	0.0000
32	F	A	1.7873
33	C	A	2.1112
34	L	A	0.0000
35	V	A	1.9645
36	P	A	1.0396
37	P	A	0.8337
38	L	A	0.1174
39	H	A	-1.2547
40	D	A	-1.9053
41	V	A	-1.1245
42	P	A	-1.7454
43	K	A	-2.4162
44	G	A	-2.4480
45	D	A	-3.1957
46	W	A	0.0000
47	R	A	-2.5749
48	C	A	0.0000
49	P	A	-0.3129
50	K	A	-1.3945
51	C	A	-0.7078
52	L	A	0.7409
53	A	A	0.2480