Project name: query_structure

Chain sequence(s)	A: CKGKGAKCSRLMYDCCTGSCRSGKCG
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -3.8239
• Maximal score value: 1.4755
• Average score: -1.3263
• Total score value: -34.4841

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	0.1107
2	K	A	-1.6387
3	G	A	-2.0682
4	K	A	-3.1464
5	G	A	-2.8708
6	A	A	-2.6553
7	K	A	-3.1750
8	C	A	-2.0226
9	S	A	-1.1012
10	R	A	-1.1781
11	L	A	0.5452
12	M	A	1.3987
13	Y	A	1.4755
14	D	A	0.0425
15	C	A	-0.8524
16	C	A	0.0525
17	T	A	-0.4926
18	G	A	-0.6819
19	S	A	-0.5091
20	C	A	-2.0830
21	R	A	-3.1744
22	S	A	-1.9536
23	G	A	-2.4476
24	K	A	-3.8239
25	C	A	0.0000
26	G	A	-2.2344