Project name: query_structure

Chain sequence(s)	A: GACLGFGKSCNPSNDQCCKSSSLACSTKHKWCKYEL
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                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)

• Minimal score value: -3.4334
• Maximal score value: 0.8556
• Average score: -1.3566
• Total score value: -48.8374

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	-0.2523
2	A	A	0.0844
3	C	A	0.1103
4	L	A	-0.2916
5	G	A	-0.0840
6	F	A	0.7165
7	G	A	-0.7448
8	K	A	-1.7951
9	S	A	-1.5360
10	C	A	-2.1830
11	N	A	-2.7617
12	P	A	-2.5927
13	S	A	-1.9186
14	N	A	-2.8530
15	D	A	-3.4114
16	Q	A	-2.6831
17	C	A	-1.4474
18	C	A	-0.9116
19	K	A	-1.9875
20	S	A	-1.1437
21	S	A	-0.7682
22	S	A	-0.9102
23	L	A	0.0000
24	A	A	-1.4304
25	C	A	-2.3889
26	S	A	-2.1307
27	T	A	-2.1651
28	K	A	-2.6998
29	H	A	-2.7050
30	K	A	-3.4334
31	W	A	-2.0670
32	C	A	0.0000
33	K	A	-0.6830
34	Y	A	0.3294
35	E	A	-0.9544
36	L	A	0.8556