Project name: pep2

Chain sequence(s)	A: MARTKQTARKSTGGKAPRKQLATKVCPFSIFFCLRVF
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -3.7434
• Maximal score value: 4.7413
• Average score: -0.16
• Total score value: -5.9184

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	0.4107
2	A	A	-0.9024
3	R	A	-2.2167
4	T	A	-2.2340
5	K	A	-3.4021
6	Q	A	-3.3286
7	T	A	-2.6267
8	A	A	-2.6780
9	R	A	-3.7434
10	K	A	-3.6243
11	S	A	-2.5020
12	T	A	-1.8351
13	G	A	-1.9743
14	G	A	-1.9955
15	K	A	-2.4443
16	A	A	-2.0278
17	P	A	-2.1722
18	R	A	-2.8690
19	K	A	-2.9533
20	Q	A	-2.0332
21	L	A	-0.2339
22	A	A	0.1538
23	T	A	-0.2139
24	K	A	-0.8385
25	V	A	1.6510
26	C	A	2.1005
27	P	A	2.0989
28	F	A	3.9833
29	S	A	3.1727
30	I	A	3.8763
31	F	A	4.7413
32	F	A	4.5687
33	C	A	3.8827
34	L	A	3.8448
35	R	A	1.8788
36	V	A	3.1983
37	F	A	3.3690