Project name: pep4

Chain sequence(s)	A: MRACKTCCARCKCVPPGTYGNKEVCPCYARLKTHGNKPKCP
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -3.6728
• Maximal score value: 1.4193
• Average score: -1.1723
• Total score value: -48.0628

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	M	A	-0.2210
2	R	A	-1.8832
3	A	A	-1.2632
4	C	A	-0.9996
5	K	A	-2.2109
6	T	A	-1.7945
7	C	A	0.0000
8	C	A	-0.9550
9	A	A	-1.5640
10	R	A	-2.3647
11	C	A	-1.2748
12	K	A	-1.7737
13	C	A	0.2543
14	V	A	1.4193
15	P	A	0.0000
16	P	A	0.2579
17	G	A	-0.2789
18	T	A	0.1464
19	Y	A	0.7061
20	G	A	-0.4059
21	N	A	-0.4201
22	K	A	-0.9812
23	E	A	-1.6523
24	V	A	0.8107
25	C	A	0.0000
26	P	A	-0.6369
27	C	A	-0.5249
28	Y	A	0.0000
29	A	A	-1.6640
30	R	A	-2.5208
31	L	A	-2.3680
32	K	A	-3.6728
33	T	A	-2.5259
34	H	A	-2.4796
35	G	A	-2.5867
36	N	A	-3.0414
37	K	A	-3.4714
38	P	A	-2.9605
39	K	A	-2.6358
40	C	A	0.0000
41	P	A	-0.5258