Project name: Cecropin

Chain sequence(s)	A: SWLSKTAKKLENSAKKRISEGIAIAIQGGPR
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                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:51)

• Minimal score value: -3.5195
• Maximal score value: 2.4262
• Average score: -0.8298
• Total score value: -25.7226

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	S	A	0.4210
2	W	A	1.0355
3	L	A	1.0436
4	S	A	-0.3620
5	K	A	-1.8930
6	T	A	-1.0698
7	A	A	-1.3251
8	K	A	-3.0530
9	K	A	-2.8708
10	L	A	-1.5123
11	E	A	-3.5195
12	N	A	-3.1488
13	S	A	-2.3685
14	A	A	-2.5001
15	K	A	-3.3154
16	K	A	-3.4349
17	R	A	-3.0269
18	I	A	-0.1101
19	S	A	-0.8111
20	E	A	-1.3405
21	G	A	0.5086
22	I	A	2.2308
23	A	A	1.5982
24	I	A	2.4262
25	A	A	1.8194
26	I	A	2.1943
27	Q	A	0.1995
28	G	A	0.0611
29	G	A	-0.0986
30	P	A	-1.2442
31	R	A	-2.2562