Project name: pep1

Chain sequence(s)	A: MSNWLAEDDLGSRVGATPLSPLGAVNAYENA
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)

• Minimal score value: -2.09
• Maximal score value: 1.8984
• Average score: -0.0909
• Total score value: -2.8167

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	M	A	0.8100
2	S	A	0.2565
3	N	A	-0.1604
4	W	A	1.2301
5	L	A	1.3429
6	A	A	-0.5831
7	E	A	-2.0900
8	D	A	-2.0676
9	D	A	-2.0734
10	L	A	-0.4246
11	G	A	-1.2830
12	S	A	-1.1755
13	R	A	-1.6029
14	V	A	0.6501
15	G	A	0.0675
16	A	A	0.2468
17	T	A	0.1913
18	P	A	0.3075
19	L	A	1.2813
20	S	A	0.6936
21	P	A	0.8345
22	L	A	1.8984
23	G	A	1.1011
24	A	A	0.9613
25	V	A	1.3265
26	N	A	-0.5441
27	A	A	-0.1452
28	Y	A	0.3754
29	E	A	-1.7627
30	N	A	-1.6849
31	A	A	-0.7941