Project name: query_structure

Chain sequence(s)	A: WCKQSGEMCNLLDQNCCDGYCIVLVCT
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                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -1.8718
• Maximal score value: 3.6268
• Average score: 0.1847
• Total score value: 4.988

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	W	A	1.1019
2	C	A	0.1395
3	K	A	-1.3242
4	Q	A	-1.8718
5	S	A	-1.2949
6	G	A	-0.5519
7	E	A	-1.2327
8	M	A	0.6770
9	C	A	0.0000
10	N	A	0.6635
11	L	A	2.4507
12	L	A	0.8990
13	D	A	-1.3840
14	Q	A	-0.4702
15	N	A	-1.4677
16	C	A	-1.2581
17	C	A	-0.6672
18	D	A	-1.7936
19	G	A	-0.8667
20	Y	A	1.0337
21	C	A	0.0000
22	I	A	3.5419
23	V	A	3.6268
24	L	A	2.9198
25	V	A	2.0982
26	C	A	0.0000
27	T	A	0.0190