Project name: Pep2-Mut5-KLVFF

Chain sequence(s)	A: RGDGWKPFVIGAEVLGHLYTEIGGIKLVFF
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: -1.9343
• Maximal score value: 2.5521
• Average score: 0.4486
• Total score value: 13.4581

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	-1.9343
2	G	A	-0.9830
3	D	A	-1.0715
4	G	A	-0.4069
5	W	A	0.8503
6	K	A	-1.2367
7	P	A	-0.1544
8	F	A	2.0546
9	V	A	1.7092
10	I	A	2.1547
11	G	A	0.3884
12	A	A	-0.3208
13	E	A	-1.5357
14	V	A	1.4935
15	L	A	1.9117
16	G	A	-0.1413
17	H	A	-0.8016
18	L	A	1.2759
19	Y	A	1.5046
20	T	A	-0.2962
21	E	A	-1.4606
22	I	A	1.5998
23	G	A	-0.2038
24	G	A	-0.1973
25	I	A	1.6361
26	K	A	-1.0911
27	L	A	1.5519
28	V	A	2.3720
29	F	A	2.5521
30	F	A	2.2385