Project name: query_structure

Chain sequence(s)	A: APAAAACPPLSCCGLCPAAAACPPLSCCGL
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                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)

• Minimal score value: -0.1574
• Maximal score value: 1.7921
• Average score: 0.7925
• Total score value: 23.7756

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	-0.0349
2	P	A	-0.1574
3	A	A	0.0881
4	A	A	0.2012
5	A	A	0.1893
6	A	A	0.3906
7	C	A	0.8684
8	P	A	0.6672
9	P	A	0.7758
10	L	A	1.6975
11	S	A	1.0485
12	C	A	1.3037
13	C	A	1.4450
14	G	A	0.9613
15	L	A	1.7451
16	C	A	1.0480
17	P	A	0.4069
18	A	A	0.3578
19	A	A	0.4542
20	A	A	0.1543
21	A	A	0.1808
22	C	A	0.5628
23	P	A	0.4346
24	P	A	0.5701
25	L	A	1.7921
26	S	A	1.0025
27	C	A	1.2883
28	C	A	1.4459
29	G	A	1.1537
30	L	A	1.7342