Project name: f64231792659946

Chain sequence(s)	B: LAAFKELKERLEKRKKIMLEMAELASPEVVKKAEEFGKKLDERFEKIVAA
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                                          (00:02:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:51)

• Minimal score value: -4.6806
• Maximal score value: 1.3514
• Average score: -2.1569
• Total score value: -107.8468

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	L	B	1.3514
2	A	B	0.1339
3	A	B	0.0748
4	F	B	-0.3910
5	K	B	-2.2774
6	E	B	-2.7654
7	L	B	-1.6699
8	K	B	-3.6009
9	E	B	-4.6806
10	R	B	-4.5207
11	L	B	-3.7391
12	E	B	-4.4751
13	K	B	-4.5986
14	R	B	-4.1799
15	K	B	-3.5539
16	K	B	-3.2131
17	I	B	-1.2917
18	M	B	-1.0458
19	L	B	-1.4279
20	E	B	-1.1415
21	M	B	0.6090
22	A	B	0.0000
23	E	B	-1.2639
24	L	B	0.8542
25	A	B	0.2000
26	S	B	-0.8633
27	P	B	-1.7470
28	E	B	-2.9892
29	V	B	-1.7802
30	V	B	-2.3741
31	K	B	-3.9696
32	K	B	-3.6400
33	A	B	0.0000
34	E	B	-4.2123
35	E	B	-3.9268
36	F	B	-1.9982
37	G	B	0.0000
38	K	B	-4.2438
39	K	B	-4.0087
40	L	B	-3.1796
41	D	B	-4.1268
42	E	B	-4.5290
43	R	B	-4.3278
44	F	B	0.0000
45	E	B	-3.6642
46	K	B	-3.1188
47	I	B	-1.0839
48	V	B	-0.4692
49	A	B	-0.7524
50	A	B	-0.2288