Project name: Pep5-Mut11-KLVFF

Chain sequence(s)	A: RGDGWKPFVIDATVLVALGTHIGVIKLVFF
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: -1.954
• Maximal score value: 2.6309
• Average score: 0.58
• Total score value: 17.4003

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	-1.9261
2	G	A	-1.1209
3	D	A	-1.9540
4	G	A	-0.5613
5	W	A	0.8432
6	K	A	-1.3233
7	P	A	-0.1784
8	F	A	2.1391
9	V	A	2.0122
10	I	A	1.9040
11	D	A	-1.4030
12	A	A	-0.2970
13	T	A	0.1549
14	V	A	1.4153
15	L	A	2.1116
16	V	A	2.0888
17	A	A	0.6881
18	L	A	1.4832
19	G	A	-0.1218
20	T	A	-0.3282
21	H	A	-0.6223
22	I	A	1.7639
23	G	A	0.3470
24	V	A	1.6970
25	I	A	0.8984
26	K	A	-1.2356
27	L	A	1.5656
28	V	A	2.4418
29	F	A	2.6309
30	F	A	2.2872