Project name: query_structure

Chain sequence(s)	A: GCCSNPVCHLEHSNLCGGAAGG
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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)

• Minimal score value: -1.5207
• Maximal score value: 1.1457
• Average score: -0.4106
• Total score value: -9.0327

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	-0.6880
2	C	A	-0.2906
3	C	A	-0.1237
4	S	A	-0.5644
5	N	A	-0.6817
6	P	A	0.1162
7	V	A	1.1457
8	C	A	0.0065
9	H	A	-0.2139
10	L	A	0.5791
11	E	A	-1.0596
12	H	A	-0.9535
13	S	A	-0.8039
14	N	A	-1.5207
15	L	A	-0.5339
16	C	A	-0.5929
17	G	A	-0.8001
18	G	A	-0.8501
19	A	A	-0.4552
20	A	A	-0.2859
21	G	A	0.0000
22	G	A	-0.4621