Project name: Pep5-Mut9-KLVFF

Chain sequence(s)	A: RGDGWKPFVIDATVLVALHTGITGIKLVFF
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                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:02)

• Minimal score value: -1.9571
• Maximal score value: 2.6388
• Average score: 0.5865
• Total score value: 17.5942

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	-1.9327
2	G	A	-1.1911
3	D	A	-1.9571
4	G	A	-0.6224
5	W	A	0.7687
6	K	A	-1.5122
7	P	A	-0.2470
8	F	A	1.9406
9	V	A	2.4668
10	I	A	2.0106
11	D	A	-1.4064
12	A	A	-0.2699
13	T	A	0.2434
14	V	A	1.8482
15	L	A	2.1854
16	V	A	2.0780
17	A	A	0.6998
18	L	A	1.3733
19	H	A	-0.7126
20	T	A	-0.3041
21	G	A	0.1199
22	I	A	1.9581
23	T	A	0.3070
24	G	A	0.1729
25	I	A	1.6498
26	K	A	-1.0224
27	L	A	1.5671
28	V	A	2.4475
29	F	A	2.6388
30	F	A	2.2962