Project name: 776f169bc26f944

Chain sequence(s)	B: LMDEIMKLTKEIKELMKKAYELLKEDPEAAEKELKKVKEQAKKLKALLDA
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                                          (00:03:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:49)

• Minimal score value: -4.4414
• Maximal score value: 1.3742
• Average score: -2.1392
• Total score value: -106.9606

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	1.3742
2	M	B	0.9032
3	D	B	-1.4351
4	E	B	-1.6403
5	I	B	-0.4027
6	M	B	-0.6626
7	K	B	-2.6420
8	L	B	-2.3163
9	T	B	-2.0919
10	K	B	-3.3446
11	E	B	-3.3736
12	I	B	-3.0183
13	K	B	-3.7716
14	E	B	-3.6579
15	L	B	0.0000
16	M	B	-2.1464
17	K	B	-2.7729
18	K	B	-2.2277
19	A	B	0.0000
20	Y	B	-1.0308
21	E	B	-2.5554
22	L	B	-2.5322
23	L	B	-1.7425
24	K	B	-2.6274
25	E	B	-3.2682
26	D	B	-3.0373
27	P	B	-2.6784
28	E	B	-3.3058
29	A	B	-3.0193
30	A	B	0.0000
31	E	B	-3.6513
32	K	B	-3.7734
33	E	B	0.0000
34	L	B	-2.9063
35	K	B	-4.2001
36	K	B	-3.8445
37	V	B	0.0000
38	K	B	-3.9962
39	E	B	-4.4414
40	Q	B	-3.2650
41	A	B	-3.1708
42	K	B	-3.7893
43	K	B	-3.0645
44	L	B	-2.0090
45	K	B	-2.5551
46	A	B	-1.5879
47	L	B	-0.2411
48	L	B	0.3022
49	D	B	-1.4587
50	A	B	-0.2844