Project name: query_structure

Chain sequence(s)	A: GGVCPKILQRCRRDSDCPGACICRGNGYCGYPYDVPDYA
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                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)

• Minimal score value: -3.5703
• Maximal score value: 1.6453
• Average score: -0.7715
• Total score value: -30.0875

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	G	A	-0.2702
2	G	A	0.2736
3	V	A	0.4858
4	C	A	0.0000
5	P	A	0.0464
6	K	A	-0.1916
7	I	A	1.6453
8	L	A	1.5747
9	Q	A	-0.6679
10	R	A	-2.4885
11	C	A	-2.8468
12	R	A	-3.5222
13	R	A	-3.5703
14	D	A	-2.2876
15	S	A	-1.6759
16	D	A	-2.3728
17	C	A	0.0000
18	P	A	-0.8721
19	G	A	-0.7771
20	A	A	-0.1249
21	C	A	0.0000
22	I	A	0.1015
23	C	A	-1.6387
24	R	A	-1.8311
25	G	A	-1.4464
26	N	A	-1.9031
27	G	A	-2.1440
28	Y	A	-1.5227
29	C	A	0.0000
30	G	A	0.0000
31	Y	A	0.7704
32	P	A	0.0000
33	Y	A	0.7887
34	D	A	-0.6996
35	V	A	-0.0862
36	P	A	-0.8494
37	D	A	-1.5738
38	Y	A	-0.3655
39	A	A	-0.0455