Project name: 231d024a1ed5a8c

Chain sequence(s)	B: MAELMEAKKLLKEMKKKLEAAKTAEEVLALYREAVEVAKEIKELIDRAKA
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                                          (00:02:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:14)

• Minimal score value: -4.4556
• Maximal score value: 1.1102
• Average score: -1.8533
• Total score value: -92.664

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	1.1102
2	A	B	0.1439
3	E	B	-1.4905
4	L	B	-0.8314
5	M	B	-0.2699
6	E	B	-1.7031
7	A	B	0.0000
8	K	B	-2.6396
9	K	B	-3.1532
10	L	B	-2.0504
11	L	B	-1.7706
12	K	B	-3.6148
13	E	B	-3.4201
14	M	B	0.0000
15	K	B	-3.2100
16	K	B	-3.6518
17	K	B	-2.9505
18	L	B	-1.5798
19	E	B	-2.8176
20	A	B	-2.0008
21	A	B	-1.9581
22	K	B	-2.4002
23	T	B	-1.5995
24	A	B	-1.1518
25	E	B	-1.9678
26	E	B	-1.5910
27	V	B	-0.6607
28	L	B	0.0622
29	A	B	-0.4792
30	L	B	-0.2685
31	Y	B	0.6082
32	R	B	-1.1831
33	E	B	-1.3935
34	A	B	-0.4134
35	V	B	-0.2283
36	E	B	-2.4807
37	V	B	-1.7416
38	A	B	-1.8056
39	K	B	-3.2678
40	E	B	-3.3752
41	I	B	-2.9563
42	K	B	-4.0366
43	E	B	-4.4556
44	L	B	0.0000
45	I	B	-2.7740
46	D	B	-4.2203
47	R	B	-3.8389
48	A	B	-2.3813
49	K	B	-2.9862
50	A	B	-1.8192