Project name: Pep5-Mut7-KLVFF

Chain sequence(s)	A: RGDGWKPFVIDATVLVALVTGIGHIKLVFF
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: -1.9561
• Maximal score value: 2.6253
• Average score: 0.6824
• Total score value: 20.4707

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	-1.9318
2	G	A	-1.1518
3	D	A	-1.9561
4	G	A	-0.5575
5	W	A	0.8051
6	K	A	-1.5398
7	P	A	-0.2190
8	F	A	2.1530
9	V	A	2.0861
10	I	A	1.9101
11	D	A	-1.4034
12	A	A	-0.1338
13	T	A	0.4812
14	V	A	2.0544
15	L	A	2.2369
16	V	A	2.0860
17	A	A	0.6874
18	L	A	1.8874
19	V	A	2.0511
20	T	A	0.2632
21	G	A	0.1827
22	I	A	1.9190
23	G	A	-0.1413
24	H	A	-0.6814
25	I	A	1.5148
26	K	A	-1.0328
27	L	A	1.5576
28	V	A	2.4258
29	F	A	2.6253
30	F	A	2.2923