Project name: pep2

Chain sequence(s)	A: GIGGKILSGFKDLLKGAAKALVKTVLF
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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -2.094
• Maximal score value: 3.3073
• Average score: 0.5835
• Total score value: 15.7558

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	G	A	0.1676
2	I	A	1.6419
3	G	A	0.7851
4	G	A	0.2973
5	K	A	-0.0328
6	I	A	1.9899
7	L	A	1.9281
8	S	A	0.3926
9	G	A	0.3294
10	F	A	1.4102
11	K	A	-0.6872
12	D	A	-1.2776
13	L	A	0.3792
14	L	A	-0.4162
15	K	A	-2.0940
16	G	A	-1.2219
17	A	A	-0.5953
18	A	A	-0.7085
19	K	A	-1.4378
20	A	A	-0.1578
21	L	A	1.5905
22	V	A	1.5527
23	K	A	0.5125
24	T	A	1.7711
25	V	A	3.1796
26	L	A	3.3073
27	F	A	3.1499