Project name: query_structure

Chain sequence(s)	A: AAKYCKLPVRYGPCKKKIPSFYYKWKAKQCLPFDYSGCGGNANRFKTIEECRRTCVG
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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -3.277
• Maximal score value: 0.0
• Average score: -1.1762
• Total score value: -67.0417

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	-0.5258
2	A	A	-0.7930
3	K	A	-1.8837
4	Y	A	-0.9820
5	C	A	0.0000
6	K	A	-1.9227
7	L	A	-0.9164
8	P	A	-0.5180
9	V	A	-0.4432
10	R	A	-1.2149
11	Y	A	-0.4783
12	G	A	-0.7314
13	P	A	-0.7364
14	C	A	-1.1283
15	K	A	-2.6355
16	K	A	-3.0175
17	K	A	-2.6347
18	I	A	-1.0507
19	P	A	-1.1214
20	S	A	0.0000
21	F	A	-0.7632
22	Y	A	-0.8257
23	Y	A	0.0000
24	K	A	-1.8733
25	W	A	-1.6597
26	K	A	-2.5370
27	A	A	-2.0128
28	K	A	-2.6479
29	Q	A	-2.2477
30	C	A	-1.1730
31	L	A	-0.1349
32	P	A	-0.4239
33	F	A	0.0000
34	D	A	-1.5163
35	Y	A	0.0000
36	S	A	0.0000
37	G	A	-0.9050
38	C	A	-0.0618
39	G	A	-0.4579
40	G	A	-0.8966
41	N	A	-0.6859
42	A	A	-0.8089
43	N	A	0.0000
44	R	A	-1.1222
45	F	A	-1.3799
46	K	A	-1.9061
47	T	A	-1.7721
48	I	A	-1.4473
49	E	A	-2.9615
50	E	A	-2.6631
51	C	A	0.0000
52	R	A	-3.2770
53	R	A	-3.1044
54	T	A	-1.5567
55	C	A	0.0000
56	V	A	-0.8270
57	G	A	-0.6590