Project name: query_structure

Chain sequence(s)	A: APGECKHGRCPPGICCSQYGYCGTGPAYCG
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -2.9886
• Maximal score value: 1.0368
• Average score: -0.3788
• Total score value: -11.3635

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	-0.5176
2	P	A	-0.6008
3	G	A	-0.5747
4	E	A	-1.5637
5	C	A	-1.9036
6	K	A	-2.9886
7	H	A	-2.7602
8	G	A	-2.2434
9	R	A	-2.7106
10	C	A	0.0000
11	P	A	-0.6001
12	P	A	-0.6215
13	G	A	-0.2020
14	I	A	0.5672
15	C	A	0.6068
16	C	A	0.3659
17	S	A	0.0000
18	Q	A	-0.1207
19	Y	A	0.9606
20	G	A	0.0040
21	Y	A	0.4773
22	C	A	0.2203
23	G	A	0.6222
24	T	A	0.3527
25	G	A	0.1448
26	P	A	-0.0752
27	A	A	0.3091
28	Y	A	1.0368
29	C	A	0.6714
30	G	A	-0.2199