Project name: Pep5-Mut15-KLVFF

Chain sequence(s)	A: RGDGWKPFVIDADVLFALGHGIGHIKLVFF
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:03)

• Minimal score value: -1.9554
• Maximal score value: 2.621
• Average score: 0.5001
• Total score value: 15.0021

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	-1.9310
2	G	A	-1.1682
3	D	A	-1.9554
4	G	A	-0.6135
5	W	A	0.7772
6	K	A	-1.5004
7	P	A	-0.0687
8	F	A	2.2584
9	V	A	2.5221
10	I	A	2.0457
11	D	A	-1.4645
12	A	A	-0.4194
13	D	A	-1.4100
14	V	A	1.7322
15	L	A	2.2636
16	F	A	2.0626
17	A	A	0.7302
18	L	A	1.4741
19	G	A	-0.3206
20	H	A	-0.8562
21	G	A	0.0163
22	I	A	1.9059
23	G	A	-0.1388
24	H	A	-0.3606
25	I	A	1.5629
26	K	A	-1.0341
27	L	A	1.5623
28	V	A	2.4269
29	F	A	2.6210
30	F	A	2.2821