Project name: query_structure

Chain sequence(s)	A: CAQKGEYCSVYLQCCDPYHCTQPVIGGICA
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)

• Minimal score value: -2.1808
• Maximal score value: 2.8444
• Average score: -0.0684
• Total score value: -2.0521

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	0.0674
2	A	A	-0.8723
3	Q	A	-2.1482
4	K	A	-2.1514
5	G	A	-1.5985
6	E	A	-1.6421
7	Y	A	-0.1047
8	C	A	0.0000
9	S	A	0.0000
10	V	A	2.8444
11	Y	A	2.3572
12	L	A	1.4732
13	Q	A	-0.0136
14	C	A	-0.5214
15	C	A	-1.0371
16	D	A	-2.1808
17	P	A	-1.6378
18	Y	A	-1.6394
19	H	A	-1.6884
20	C	A	-0.5026
21	T	A	0.1246
22	Q	A	0.4732
23	P	A	1.7205
24	V	A	2.8415
25	I	A	2.5708
26	G	A	1.5277
27	G	A	0.6634
28	I	A	0.0638
29	C	A	0.0000
30	A	A	-1.0415