Project name: query_structure

Chain sequence(s)	A: EERICPLIWMECKRDSCLAQCICVDGHCG
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -3.6395
• Maximal score value: 2.3313
• Average score: -0.3996
• Total score value: -11.5894

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	E	A	-2.9076
2	E	A	-3.0589
3	R	A	-2.5904
4	I	A	0.4233
5	C	A	1.0118
6	P	A	1.2792
7	L	A	2.3313
8	I	A	1.6918
9	W	A	1.4448
10	M	A	0.4361
11	E	A	-2.0905
12	C	A	-1.9639
13	K	A	-3.3695
14	R	A	-3.6395
15	D	A	-2.5406
16	S	A	-1.5976
17	C	A	-0.0926
18	L	A	1.2131
19	A	A	0.1076
20	Q	A	-0.5497
21	C	A	1.2942
22	I	A	2.0219
23	C	A	0.6892
24	V	A	0.5496
25	D	A	-1.3910
26	G	A	-1.5267
27	H	A	-0.3562
28	C	A	0.0000
29	G	A	1.5914