Project name: query_structure

Chain sequence(s)	A: GWCGDPGATCGKLRLYCCSGFCDSYTKTCKDKSSA
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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)

• Minimal score value: -3.2418
• Maximal score value: 1.7254
• Average score: -0.6283
• Total score value: -21.9921

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	G	A	0.3260
2	W	A	1.4389
3	C	A	1.1233
4	G	A	-0.0527
5	D	A	-1.7361
6	P	A	-1.8205
7	G	A	-1.3746
8	A	A	-1.0015
9	T	A	-1.1301
10	C	A	-0.7704
11	G	A	-1.2953
12	K	A	-1.8223
13	L	A	-0.3757
14	R	A	-0.9067
15	L	A	0.9058
16	Y	A	1.7254
17	C	A	0.4926
18	C	A	0.5309
19	S	A	-0.9365
20	G	A	-0.5431
21	F	A	-0.6272
22	C	A	-0.3975
23	D	A	0.0000
24	S	A	-0.2381
25	Y	A	0.7941
26	T	A	-0.2720
27	K	A	-1.5377
28	T	A	-0.9408
29	C	A	0.0000
30	K	A	-2.6573
31	D	A	-3.2418
32	K	A	-2.9086
33	S	A	-1.6181
34	S	A	-0.8572
35	A	A	-0.2673