Project name: query_structure

Chain sequence(s)	A: APGQCNHGRCPSGICCSQYGYCGTGPAYCGG
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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)

• Minimal score value: -2.626
• Maximal score value: 0.9944
• Average score: -0.3287
• Total score value: -10.189

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	-0.3813
2	P	A	-0.5039
3	G	A	-0.3672
4	Q	A	-1.0478
5	C	A	-1.5051
6	N	A	-2.5318
7	H	A	-2.4505
8	G	A	-2.0676
9	R	A	-2.6260
10	C	A	0.0000
11	P	A	-0.7488
12	S	A	-0.5777
13	G	A	-0.1587
14	I	A	0.5922
15	C	A	0.4862
16	C	A	0.0963
17	S	A	0.0000
18	Q	A	-0.2519
19	Y	A	0.9944
20	G	A	0.0629
21	Y	A	0.7119
22	C	A	0.2899
23	G	A	0.6563
24	T	A	0.3696
25	G	A	0.2005
26	P	A	-0.1389
27	A	A	0.2177
28	Y	A	0.9186
29	C	A	0.5445
30	G	A	-0.4373
31	G	A	-0.5355