Project name: Pep5-Mut6-KLVFF

Chain sequence(s)	A: RGDGWKPFVIDATVLVALVTGIHGIKLVFF
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: -1.9522
• Maximal score value: 2.64
• Average score: 0.6998
• Total score value: 20.9925

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	-1.9332
2	G	A	-1.1408
3	D	A	-1.9522
4	G	A	-0.5566
5	W	A	0.8024
6	K	A	-1.5381
7	P	A	-0.2147
8	F	A	2.2246
9	V	A	2.4924
10	I	A	1.9906
11	D	A	-1.4012
12	A	A	-0.1140
13	T	A	0.2780
14	V	A	2.0505
15	L	A	2.2395
16	V	A	2.0835
17	A	A	0.6894
18	L	A	1.8939
19	V	A	2.0515
20	T	A	0.2209
21	G	A	0.1209
22	I	A	1.7756
23	H	A	-0.6423
24	G	A	-0.0110
25	I	A	1.6509
26	K	A	-1.0314
27	L	A	1.5785
28	V	A	2.4474
29	F	A	2.6400
30	F	A	2.2975