Project name: a160fc44803c167

Chain sequence(s)	B: MEELMKAKEDFKKEKSELEKLDPVEQMKELTKKAKEIKELVEKIKEKLEA
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                                          (00:03:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:36)

• Minimal score value: -4.3925
• Maximal score value: 0.4676
• Average score: -2.595
• Total score value: -129.748

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	-0.1311
2	E	B	-2.0929
3	E	B	-2.1225
4	L	B	-1.5604
5	M	B	-1.1572
6	K	B	-2.9638
7	A	B	-2.4530
8	K	B	-2.8393
9	E	B	-3.7530
10	D	B	-3.1420
11	F	B	-2.9533
12	K	B	-4.2498
13	K	B	-4.2237
14	E	B	-4.0495
15	K	B	-3.9684
16	S	B	-3.4826
17	E	B	-3.9570
18	L	B	0.0000
19	E	B	-3.9346
20	K	B	-3.5207
21	L	B	-2.1758
22	D	B	-2.0557
23	P	B	-1.0603
24	V	B	0.4676
25	E	B	-1.6062
26	Q	B	-2.0133
27	M	B	-0.3452
28	K	B	-2.1595
29	E	B	-2.1323
30	L	B	-1.4329
31	T	B	-2.0563
32	K	B	-3.2453
33	K	B	-2.7799
34	A	B	-2.4969
35	K	B	-3.6055
36	E	B	-3.4379
37	I	B	-2.7368
38	K	B	-3.6531
39	E	B	-3.4926
40	L	B	-2.5710
41	V	B	-2.6755
42	E	B	-4.2315
43	K	B	-4.2075
44	I	B	0.0000
45	K	B	-3.7146
46	E	B	-4.3925
47	K	B	-3.4567
48	L	B	-1.5846
49	E	B	-2.7399
50	A	B	-1.6015