Project name: Pep5-Mut16-KLVFF

Chain sequence(s)	A: RGDGWKPFVIDAHVLIALDTGIHGIKLVFF
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: -1.9532
• Maximal score value: 2.5815
• Average score: 0.2535
• Total score value: 7.6062

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	-1.9249
2	G	A	-1.0855
3	D	A	-1.9532
4	G	A	-0.5802
5	W	A	0.7949
6	K	A	-1.5299
7	P	A	-0.1913
8	F	A	2.2128
9	V	A	2.3375
10	I	A	1.1593
11	D	A	-1.4234
12	A	A	-0.2387
13	H	A	-0.8130
14	V	A	0.0000
15	L	A	1.8677
16	I	A	1.6378
17	A	A	0.0000
18	L	A	1.2283
19	D	A	-1.3423
20	T	A	-0.4545
21	G	A	0.0218
22	I	A	1.7783
23	H	A	-0.7214
24	G	A	-0.5016
25	I	A	0.4206
26	K	A	-1.3719
27	L	A	1.1191
28	V	A	2.3037
29	F	A	2.5815
30	F	A	2.2747