Project name: 87773a795244a9c

Chain sequence(s)	B: ELRALMDKFMKALKVLKEIADLVFEQNPSKELKEEIEKKEKELEEKIKKL
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.                                          (00:02:52)

• Minimal score value: -4.8258
• Maximal score value: 0.7683
• Average score: -2.3528
• Total score value: -117.6392

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	E	B	-1.7916
2	L	B	-0.5451
3	R	B	-2.0224
4	A	B	-1.6405
5	L	B	-0.7839
6	M	B	-1.6222
7	D	B	-2.8912
8	K	B	-2.5621
9	F	B	-1.0897
10	M	B	-1.6574
11	K	B	-2.5724
12	A	B	-1.4047
13	L	B	0.0000
14	K	B	-2.1479
15	V	B	-0.6383
16	L	B	-0.3708
17	K	B	-1.6358
18	E	B	-1.3575
19	I	B	0.7683
20	A	B	0.0000
21	D	B	-1.6678
22	L	B	0.0598
23	V	B	-0.1420
24	F	B	-1.4692
25	E	B	-2.2620
26	Q	B	-2.2326
27	N	B	-2.3793
28	P	B	-2.2275
29	S	B	-2.6225
30	K	B	-3.4639
31	E	B	-3.7476
32	L	B	-2.8698
33	K	B	-3.9165
34	E	B	-4.3922
35	E	B	-4.5912
36	I	B	-3.6830
37	E	B	-4.1885
38	K	B	-4.8028
39	K	B	-4.3602
40	E	B	-4.0478
41	K	B	-4.8037
42	E	B	-4.8258
43	L	B	-3.3051
44	E	B	-4.0650
45	E	B	-4.8153
46	K	B	-3.9638
47	I	B	0.0000
48	K	B	-3.3915
49	K	B	-2.9749
50	L	B	-0.5223