Project name: query_structure

Chain sequence(s)	A: ATCDLLSGTGINHSACAAHCLLRGNRGGYCNGKAVCVCRN
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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)

• Minimal score value: -3.0328
• Maximal score value: 1.8923
• Average score: -0.281
• Total score value: -11.2393

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	0.6418
2	T	A	0.6099
3	C	A	0.0000
4	D	A	-0.3993
5	L	A	1.5140
6	L	A	1.8923
7	S	A	0.7233
8	G	A	-0.0010
9	T	A	-0.0273
10	G	A	0.4789
11	I	A	1.3521
12	N	A	0.3826
13	H	A	-0.6930
14	S	A	-0.4477
15	A	A	-0.1378
16	C	A	0.0000
17	A	A	-0.2716
18	A	A	-0.2075
19	H	A	-0.5609
20	C	A	0.0000
21	L	A	0.2596
22	L	A	0.6291
23	R	A	-1.4527
24	G	A	-1.3135
25	N	A	-2.0023
26	R	A	-2.6654
27	G	A	-1.3452
28	G	A	0.0000
29	Y	A	0.4760
30	C	A	0.0297
31	N	A	-1.0163
32	G	A	-1.2384
33	K	A	-2.0323
34	A	A	-0.3216
35	V	A	0.7516
36	C	A	0.5268
37	V	A	0.8782
38	C	A	-0.7150
39	R	A	-2.5036
40	N	A	-3.0328