Project name: 96a988365c06afc

Chain sequence(s)	B: MAALMEAKKLLKEMKSRLAAAKTPEEVLALWEELVAVAKKIGALIAAAKA
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                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -4.0756
• Maximal score value: 1.0882
• Average score: -0.9319
• Total score value: -46.5945

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	B	1.0882
2	A	B	0.1524
3	A	B	-0.3399
4	L	B	-0.0410
5	M	B	-0.8356
6	E	B	-2.3407
7	A	B	0.0000
8	K	B	-2.8679
9	K	B	-3.7270
10	L	B	-2.4684
11	L	B	-2.6102
12	K	B	-4.0756
13	E	B	-3.7500
14	M	B	0.0000
15	K	B	-2.9626
16	S	B	-2.1422
17	R	B	-2.0116
18	L	B	-0.7305
19	A	B	-0.7230
20	A	B	-0.7727
21	A	B	-1.2071
22	K	B	-2.0741
23	T	B	-1.4512
24	P	B	-1.1282
25	E	B	-1.7558
26	E	B	-1.5596
27	V	B	0.1424
28	L	B	0.8768
29	A	B	-0.1400
30	L	B	0.0000
31	W	B	0.9183
32	E	B	-0.8244
33	E	B	-0.5441
34	L	B	0.0532
35	V	B	-0.3269
36	A	B	-0.8607
37	V	B	0.0000
38	A	B	-0.8756
39	K	B	-1.7644
40	K	B	-1.1576
41	I	B	-0.4498
42	G	B	-0.4168
43	A	B	-0.3346
44	L	B	0.4795
45	I	B	0.6670
46	A	B	0.0738
47	A	B	0.0933
48	A	B	-0.1046
49	K	B	-1.2582
50	A	B	-0.5068