Project name: 87e5a6cd17b67eb

Chain sequence(s)	B: AALEALMAAMDARLARAEAVLEELLELGQITEEQKAKMLELMRRMKEAAL
Selected Chain(s)	B
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 B 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                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:54)

• Minimal score value: -3.6499
• Maximal score value: 1.3902
• Average score: -1.4213
• Total score value: -71.0643

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	A	B	0.1364
2	A	B	0.6150
3	L	B	1.3902
4	E	B	-0.5039
5	A	B	0.1850
6	L	B	1.1911
7	M	B	0.2131
8	A	B	-0.5255
9	A	B	-0.5207
10	M	B	-1.3925
11	D	B	-2.3967
12	A	B	-2.0206
13	R	B	-2.9837
14	L	B	-2.1421
15	A	B	-1.8637
16	R	B	-2.5880
17	A	B	-1.5628
18	E	B	-1.6026
19	A	B	-1.1314
20	V	B	0.0251
21	L	B	-1.0744
22	E	B	-2.3776
23	E	B	-2.0162
24	L	B	-0.9524
25	L	B	-1.8528
26	E	B	-2.1228
27	L	B	-0.3352
28	G	B	-1.2008
29	Q	B	-1.3733
30	I	B	-1.6696
31	T	B	-2.4191
32	E	B	-3.5804
33	E	B	-3.6499
34	Q	B	-3.3314
35	K	B	-2.5344
36	A	B	-2.5048
37	K	B	-2.9449
38	M	B	-1.7100
39	L	B	-1.5199
40	E	B	-2.1810
41	L	B	-1.0113
42	M	B	-1.5924
43	R	B	-2.7368
44	R	B	-2.5724
45	M	B	-1.0020
46	K	B	-1.6639
47	E	B	-2.0479
48	A	B	-0.8640
49	A	B	0.0786
50	L	B	1.1770