Project name: pep1

Chain sequence(s)	A: MARTKQTARKSTGGKAPRKQLATKVVVRFQLGSILRRGC
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                                          (00:01:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:23)

• Minimal score value: -3.128
• Maximal score value: 2.1143
• Average score: -0.9288
• Total score value: -36.2235

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	0.5331
2	A	A	-0.6839
3	R	A	-2.3100
4	T	A	-1.9711
5	K	A	-2.8873
6	Q	A	-2.7078
7	T	A	-2.1225
8	A	A	-2.1669
9	R	A	-3.0004
10	K	A	-2.8819
11	S	A	-2.1319
12	T	A	-1.8151
13	G	A	-1.8178
14	G	A	-1.7773
15	K	A	-2.7272
16	A	A	-2.5012
17	P	A	-2.1815
18	R	A	-2.9673
19	K	A	-3.1280
20	Q	A	-1.9559
21	L	A	-0.1422
22	A	A	-0.4036
23	T	A	-0.1809
24	K	A	-0.3161
25	V	A	1.2214
26	V	A	2.1143
27	V	A	1.1609
28	R	A	0.0305
29	F	A	2.0134
30	Q	A	0.8244
31	L	A	1.1614
32	G	A	0.6235
33	S	A	0.1228
34	I	A	1.1063
35	L	A	1.0711
36	R	A	-1.4836
37	R	A	-1.6259
38	G	A	-0.4338
39	C	A	0.1145