Project name: query_structure

Chain sequence(s)	A: VAERCCKNGKRGCGRWCRDHSRCC
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                                          (00:00:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -3.6089
• Maximal score value: 0.8032
• Average score: -2.1313
• Total score value: -51.151

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	V	A	0.8032
2	A	A	-1.5503
3	E	A	-2.8112
4	R	A	-3.2915
5	C	A	0.0000
6	C	A	-1.7754
7	K	A	-3.2452
8	N	A	-3.1216
9	G	A	-2.3759
10	K	A	-2.7380
11	R	A	-3.2957
12	G	A	-2.9050
13	C	A	-1.5307
14	G	A	-2.3268
15	R	A	-2.9061
16	W	A	-2.2194
17	C	A	0.0000
18	R	A	-3.5004
19	D	A	-3.6089
20	H	A	-2.6966
21	S	A	-2.5681
22	R	A	-2.3080
23	C	A	-0.6686
24	C	A	-0.5108