Project name: Pep5-Mut4-KLVFF

Chain sequence(s)	A: RGDGWKPFVIDADVLHALHTVIGGIKLVFF
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.                                          (00:00:01)

• Minimal score value: -1.9654
• Maximal score value: 2.6319
• Average score: 0.488
• Total score value: 14.6389

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	-1.9331
2	G	A	-1.1598
3	D	A	-1.9654
4	G	A	-0.5856
5	W	A	0.7945
6	K	A	-1.5291
7	P	A	-0.1858
8	F	A	2.2270
9	V	A	2.5211
10	I	A	2.0216
11	D	A	-1.4097
12	A	A	-0.5985
13	D	A	-1.4367
14	V	A	1.7207
15	L	A	1.6928
16	H	A	-0.6837
17	A	A	0.1480
18	L	A	1.3633
19	H	A	-0.5055
20	T	A	0.0699
21	V	A	2.1300
22	I	A	2.1070
23	G	A	0.1428
24	G	A	0.1495
25	I	A	1.6527
26	K	A	-1.0362
27	L	A	1.5667
28	V	A	2.4428
29	F	A	2.6319
30	F	A	2.2857