Project name: query_structure

Chain sequence(s)	A: ACGILHDNCVYVPAQNPCCRGLQCRYGKCLVQVS
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -1.9605
• Maximal score value: 1.6111
• Average score: -0.1315
• Total score value: -4.4719

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	A	A	0.3048
2	C	A	0.3836
3	G	A	0.0000
4	I	A	0.4954
5	L	A	0.8031
6	H	A	-1.2335
7	D	A	-1.7368
8	N	A	-1.9605
9	C	A	-0.4162
10	V	A	1.2297
11	Y	A	1.6111
12	V	A	1.0136
13	P	A	-0.1001
14	A	A	-0.3277
15	Q	A	-1.0585
16	N	A	-0.6590
17	P	A	-0.4616
18	C	A	0.0000
19	C	A	-0.3271
20	R	A	-1.9362
21	G	A	-0.8941
22	L	A	-0.2283
23	Q	A	-0.0313
24	C	A	0.0000
25	R	A	-0.7587
26	Y	A	0.9644
27	G	A	-0.5839
28	K	A	-1.3610
29	C	A	0.0000
30	L	A	0.3551
31	V	A	0.6162
32	Q	A	-0.0390
33	V	A	1.4093
34	S	A	0.4553