Project name: query_structure

Chain sequence(s)	A: CLGIGSCNNFAGCGYAIVCFW
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                                          (00:00:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:03)

• Minimal score value: -1.1591
• Maximal score value: 4.2419
• Average score: 1.9971
• Total score value: 41.9385

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	C	A	3.6939
2	L	A	4.0609
3	G	A	3.5715
4	I	A	3.4733
5	G	A	1.7636
6	S	A	0.1721
7	C	A	0.4354
8	N	A	-1.1591
9	N	A	-0.7217
10	F	A	1.2496
11	A	A	0.4140
12	G	A	-0.0388
13	C	A	0.6294
14	G	A	0.6445
15	Y	A	2.5046
16	A	A	2.8563
17	I	A	4.2419
18	V	A	4.0331
19	C	A	3.9590
20	F	A	3.6948
21	W	A	2.4602