Project name: Pep5-Mut3-KLVFF

Chain sequence(s)	A: RGDGWKPFVIVDLVLHALGTIIGGIKLVFF
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                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -1.9267
• Maximal score value: 2.6321
• Average score: 0.7287
• Total score value: 21.8608

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	-1.9267
2	G	A	-1.0992
3	D	A	-1.8290
4	G	A	-0.5430
5	W	A	0.9155
6	K	A	-0.9116
7	P	A	-0.0402
8	F	A	2.1846
9	V	A	2.2441
10	I	A	2.6218
11	V	A	1.7603
12	D	A	-1.1707
13	L	A	1.4681
14	V	A	1.8891
15	L	A	1.6007
16	H	A	-0.6847
17	A	A	0.0708
18	L	A	1.1150
19	G	A	-0.2442
20	T	A	0.2242
21	I	A	2.3878
22	I	A	2.3611
23	G	A	0.1122
24	G	A	0.0933
25	I	A	1.4297
26	K	A	-1.0844
27	L	A	1.5635
28	V	A	2.4271
29	F	A	2.6321
30	F	A	2.2935