Project name: query_structure

Chain sequence(s)	A: CKGTGKSCSRIAYNCCTGSCRSGKC
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -2.9725
• Maximal score value: 1.3297
• Average score: -0.9231
• Total score value: -23.0779

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	0.0590
2	K	A	-1.0776
3	G	A	-1.0086
4	T	A	-1.3166
5	G	A	-1.9031
6	K	A	-2.4119
7	S	A	-2.0010
8	C	A	-1.3682
9	S	A	-0.7114
10	R	A	-0.8716
11	I	A	1.3297
12	A	A	0.6514
13	Y	A	0.8241
14	N	A	-0.2471
15	C	A	0.0000
16	C	A	0.0777
17	T	A	-0.3319
18	G	A	-0.5506
19	S	A	-1.0495
20	C	A	-1.6960
21	R	A	-2.9725
22	S	A	-1.7896
23	G	A	-1.9887
24	K	A	-2.7239
25	C	A	0.0000