Project name: query_structure

Chain sequence(s)	A: EQHADPICNKPCKTHDDCSGAWFCQACWNSARTCGPYVG
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -3.042
• Maximal score value: 2.2279
• Average score: -0.8381
• Total score value: -32.6869

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	E	A	-2.6309
2	Q	A	-2.5020
3	H	A	-1.8642
4	A	A	-0.8640
5	D	A	-0.4192
6	P	A	-0.2973
7	I	A	-0.2909
8	C	A	-0.3424
9	N	A	-1.6207
10	K	A	-1.9675
11	P	A	-1.8408
12	C	A	-2.3914
13	K	A	-2.8425
14	T	A	-2.2254
15	H	A	-1.8138
16	D	A	-3.0420
17	D	A	-2.9931
18	C	A	0.0000
19	S	A	-1.5584
20	G	A	-0.8564
21	A	A	0.0000
22	W	A	1.0393
23	F	A	0.7164
24	C	A	0.0000
25	Q	A	0.3675
26	A	A	-0.0775
27	C	A	0.0000
28	W	A	-0.8441
29	N	A	-1.9598
30	S	A	-1.3651
31	A	A	-1.6655
32	R	A	-2.9474
33	T	A	0.0000
34	C	A	0.0000
35	G	A	0.0489
36	P	A	1.1872
37	Y	A	2.1522
38	V	A	2.2279
39	G	A	0.7960