Project name: Pep5-Mut8-KLVFF

Chain sequence(s)	A: RGDGWKPFVIDATVLVALHTGIGTIKLVFF
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.                                          (00:00:02)

• Minimal score value: -1.962
• Maximal score value: 2.6258
• Average score: 0.5524
• Total score value: 16.5719

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	-1.9303
2	G	A	-1.1423
3	D	A	-1.9620
4	G	A	-0.5800
5	W	A	0.7963
6	K	A	-1.5289
7	P	A	-0.1744
8	F	A	2.2216
9	V	A	2.5079
10	I	A	2.0129
11	D	A	-1.4082
12	A	A	-0.2632
13	T	A	0.3784
14	V	A	1.6276
15	L	A	2.1464
16	V	A	2.0746
17	A	A	0.6991
18	L	A	1.3762
19	H	A	-0.7170
20	T	A	-0.2900
21	G	A	-0.0177
22	I	A	0.9440
23	G	A	-0.0311
24	T	A	0.2731
25	I	A	1.6841
26	K	A	-1.0372
27	L	A	1.5638
28	V	A	2.4322
29	F	A	2.6258
30	F	A	2.2902