Project name: 6854c87844bafc7

Chain sequence(s)	B: MSLRALMDEMMKRAKEAFKIAEKMLEQNGATEEQKKKLKEKKKRIMELIK
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                                          (00:02:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:37)

• Minimal score value: -5.5538
• Maximal score value: 1.1387
• Average score: -2.6075
• Total score value: -130.3771

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	1.1387
2	S	B	0.3917
3	L	B	0.6404
4	R	B	-1.5862
5	A	B	-0.8332
6	L	B	-0.3361
7	M	B	-1.6313
8	D	B	-3.3570
9	E	B	-3.3287
10	M	B	-2.1798
11	M	B	-2.6789
12	K	B	-3.7145
13	R	B	-3.7549
14	A	B	-2.2553
15	K	B	-2.6357
16	E	B	-2.2342
17	A	B	-1.3244
18	F	B	0.0000
19	K	B	-2.0549
20	I	B	0.1070
21	A	B	-0.7492
22	E	B	-2.4597
23	K	B	-2.4750
24	M	B	-1.4304
25	L	B	-2.3005
26	E	B	-3.5365
27	Q	B	-3.0660
28	N	B	-2.7029
29	G	B	-2.1792
30	A	B	-2.5118
31	T	B	-2.8533
32	E	B	-4.0406
33	E	B	-4.3856
34	Q	B	-4.0606
35	K	B	-4.5404
36	K	B	-5.2013
37	K	B	-5.3548
38	L	B	-4.7557
39	K	B	-5.2877
40	E	B	-5.5538
41	K	B	-5.3479
42	K	B	-4.7106
43	K	B	-4.7654
44	R	B	-4.2821
45	I	B	-2.2009
46	M	B	-2.4162
47	E	B	-2.7327
48	L	B	-0.2586
49	I	B	-0.4245
50	K	B	-2.1659