Project name: query_structure

Chain sequence(s)	A: SGSDGGVCPKILKKCRRDSDCPGACICRGNGYCG
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                                          (00:00:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -3.5607
• Maximal score value: 0.7899
• Average score: -1.1995
• Total score value: -40.7847

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	S	A	-0.6947
2	G	A	-1.0357
3	S	A	-0.7805
4	D	A	-1.8986
5	G	A	-1.1791
6	G	A	-0.3823
7	V	A	0.7899
8	C	A	0.0000
9	P	A	-0.3676
10	K	A	-0.9493
11	I	A	0.0051
12	L	A	0.4740
13	K	A	-1.4968
14	K	A	-2.6880
15	C	A	0.0000
16	R	A	-3.5607
17	R	A	-3.3746
18	D	A	-2.3857
19	S	A	-1.5750
20	D	A	-2.0061
21	C	A	-1.5369
22	P	A	-0.7720
23	G	A	-0.5136
24	A	A	-0.6497
25	C	A	0.0000
26	I	A	-1.1847
27	C	A	0.0000
28	R	A	-2.9802
29	G	A	-2.0144
30	N	A	-2.3942
31	G	A	-2.4942
32	Y	A	-2.0869
33	C	A	0.0000
34	G	A	-1.0522