Project name: Pep5-Mut5-KLVFF

Chain sequence(s)	A: RGDGWKPFVIDATVLVALVTHIGGIKLVFF
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[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: -1.9577
• Maximal score value: 2.6316
• Average score: 0.5937
• Total score value: 17.8116

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	-1.1357
3	D	A	-1.9577
4	G	A	-0.5920
5	W	A	0.7682
6	K	A	-1.2952
7	P	A	-0.2110
8	F	A	2.0458
9	V	A	2.5164
10	I	A	2.0131
11	D	A	-1.4108
12	A	A	-0.2662
13	T	A	0.3722
14	V	A	1.5835
15	L	A	2.1354
16	V	A	2.0742
17	A	A	0.8181
18	L	A	1.8627
19	V	A	2.0459
20	T	A	0.0886
21	H	A	-0.7706
22	I	A	1.1179
23	G	A	-0.0156
24	G	A	-0.2015
25	I	A	0.5021
26	K	A	-1.2572
27	L	A	1.5600
28	V	A	2.4237
29	F	A	2.6316
30	F	A	2.2989