Project name: query_structure

Chain sequence(s)	A: DTLCGSCGGNYTNDEFWICCDVCERWYHGKCVKITPAKAESIKQYKCPSCCT; P: ARTKQTA
Selected Chain(s)	A,P
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:59)

• Minimal score value: -2.9191
• Maximal score value: 0.4649
• Average score: -1.0767
• Total score value: -63.5243

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
4	D	A	-1.6270
5	T	A	-0.6379
6	L	A	0.3918
7	C	A	0.0000
8	G	A	-0.7670
9	S	A	-0.3484
10	C	A	0.4633
11	G	A	0.1070
12	G	A	-0.2704
13	N	A	-0.9872
14	Y	A	-0.9909
15	T	A	-1.5957
16	N	A	-2.6707
17	D	A	-2.7988
18	E	A	-2.2720
19	F	A	0.0000
20	W	A	0.0000
21	I	A	0.0000
22	C	A	0.0000
23	C	A	0.0000
24	D	A	-1.6400
25	V	A	0.3634
26	C	A	-0.7301
27	E	A	-2.6232
28	R	A	-2.3414
29	W	A	-1.2756
30	Y	A	0.0000
31	H	A	0.0000
32	G	A	0.0000
33	K	A	-2.3541
34	C	A	-1.2100
35	V	A	0.0000
36	K	A	-2.5094
37	I	A	0.0000
38	T	A	-1.6150
39	P	A	-1.5321
40	A	A	-1.3339
41	K	A	-2.2443
42	A	A	0.0000
43	E	A	-2.7799
44	S	A	-1.8898
45	I	A	-2.1607
46	K	A	-2.9191
47	Q	A	-2.3925
48	Y	A	0.0000
49	K	A	-1.5178
50	C	A	0.0000
51	P	A	-0.5738
52	S	A	-0.3224
53	C	A	0.2502
54	C	A	0.4649
55	T	A	0.0720
1	A	P	-2.3111
2	R	P	-2.8910
3	T	P	-1.7728
4	K	P	-2.1103
5	Q	P	-2.3776
6	T	P	-1.9381
7	A	P	-1.3049