Project name: query_structure

Chain sequence(s)	A: CANMVNMGPVANMVNMGPVANMVNMGPVCANMVNMGPV
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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)

• Minimal score value: -0.5838
• Maximal score value: 1.7661
• Average score: 0.6531
• Total score value: 24.8193

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	C	A	0.6878
2	A	A	0.5296
3	N	A	-0.5838
4	M	A	0.5744
5	V	A	1.2398
6	N	A	-0.0512
7	M	A	0.9703
8	G	A	0.4363
9	P	A	0.4393
10	V	A	1.6245
11	A	A	0.9344
12	N	A	-0.1456
13	M	A	0.9408
14	V	A	1.3634
15	N	A	-0.0186
16	M	A	0.8574
17	G	A	0.4525
18	P	A	0.6191
19	V	A	1.6831
20	A	A	0.7899
21	N	A	-0.0598
22	M	A	1.1964
23	V	A	1.3818
24	N	A	-0.0404
25	M	A	0.5370
26	G	A	-0.1000
27	P	A	0.2135
28	V	A	1.0415
29	C	A	1.0469
30	A	A	0.5696
31	N	A	-0.2043
32	M	A	0.9083
33	V	A	1.2383
34	N	A	-0.1130
35	M	A	1.1728
36	G	A	0.3645
37	P	A	0.5567
38	V	A	1.7661