Project name: Pep5-Mut13-KLVFF

Chain sequence(s)	A: RGDGWKPFVIDAHVLVALHTGIDGIKLVFF
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)

• Minimal score value: -1.9252
• Maximal score value: 2.6381
• Average score: 0.4681
• Total score value: 14.0445

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	R	A	-1.9252
2	G	A	-1.1047
3	D	A	-1.7301
4	G	A	-0.5303
5	W	A	0.8653
6	K	A	-1.2054
7	P	A	-0.1562
8	F	A	2.0040
9	V	A	1.3106
10	I	A	1.7833
11	D	A	-1.4089
12	A	A	-0.4684
13	H	A	-0.6415
14	V	A	1.8785
15	L	A	2.2344
16	V	A	2.0866
17	A	A	0.6840
18	L	A	1.3779
19	H	A	-0.7203
20	T	A	-0.4406
21	G	A	0.0915
22	I	A	1.7125
23	D	A	-1.0372
24	G	A	-0.1570
25	I	A	1.6393
26	K	A	-1.0399
27	L	A	1.5720
28	V	A	2.4387
29	F	A	2.6381
30	F	A	2.2935