Project name: query_structure

Chain sequence(s)	A: CKGKGAPCRKTMYDCCSGSCGRRGKC
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:37)

• Minimal score value: -3.6237
• Maximal score value: 1.1327
• Average score: -1.3969
• Total score value: -36.3203

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	0.7396
2	K	A	-0.6330
3	G	A	-1.3820
4	K	A	-2.3519
5	G	A	-2.1442
6	A	A	-1.5973
7	P	A	-1.7683
8	C	A	-2.2729
9	R	A	-2.4094
10	K	A	-2.7834
11	T	A	-0.5442
12	M	A	0.5787
13	Y	A	1.1327
14	D	A	0.0000
15	C	A	0.0000
16	C	A	0.4409
17	S	A	-0.3580
18	G	A	-0.5605
19	S	A	-1.2640
20	C	A	0.0000
21	G	A	-2.5816
22	R	A	-3.4118
23	R	A	-3.5844
24	G	A	-3.2759
25	K	A	-3.6237
26	C	A	-2.6657