Project name: Pep5-Mut21-KLVFF

Chain sequence(s)	A: RGDGWKPFVIGAAVLAALATAIAGIKLVFF
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: -1.9257
• Maximal score value: 2.6376
• Average score: 0.6776
• Total score value: 20.3292

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	-1.9257
2	G	A	-1.0935
3	D	A	-1.8127
4	G	A	-0.5363
5	W	A	0.8962
6	K	A	-0.9919
7	P	A	-0.0889
8	F	A	2.1171
9	V	A	2.0629
10	I	A	2.2265
11	G	A	0.3983
12	A	A	0.0313
13	A	A	0.3458
14	V	A	1.7332
15	L	A	1.8272
16	A	A	0.3622
17	A	A	0.3682
18	L	A	1.5700
19	A	A	0.3349
20	T	A	-0.0533
21	A	A	0.3855
22	I	A	2.0275
23	A	A	0.3890
24	G	A	0.1877
25	I	A	1.6458
26	K	A	-1.0195
27	L	A	1.5648
28	V	A	2.4472
29	F	A	2.6376
30	F	A	2.2921