Project name: a49832e988da699

Chain sequence(s)	B: ELRALMDEMIEGLKKQQEISEKLWEANGDEEGKKKAKEFLKKLIDKVKEY
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                                          (00:02:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:34)

• Minimal score value: -4.7585
• Maximal score value: 0.0
• Average score: -2.5011
• Total score value: -125.0534

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	-1.9676
2	L	B	-1.2273
3	R	B	-2.5105
4	A	B	-1.8174
5	L	B	-1.0751
6	M	B	0.0000
7	D	B	-3.4616
8	E	B	-3.0361
9	M	B	-1.8858
10	I	B	-2.7724
11	E	B	-3.6945
12	G	B	-2.8673
13	L	B	-2.4011
14	K	B	-3.5456
15	K	B	-3.4036
16	Q	B	-2.8184
17	Q	B	-2.9243
18	E	B	-2.8684
19	I	B	-0.9685
20	S	B	-1.5881
21	E	B	-3.2150
22	K	B	-2.3388
23	L	B	-0.6035
24	W	B	-2.7043
25	E	B	-3.4731
26	A	B	-2.0088
27	N	B	-2.5642
28	G	B	-2.8499
29	D	B	-3.6375
30	E	B	-4.7585
31	E	B	-4.4935
32	G	B	0.0000
33	K	B	-4.6627
34	K	B	-4.6374
35	K	B	-4.0154
36	A	B	-3.0382
37	K	B	-4.0395
38	E	B	-3.2706
39	F	B	-0.9695
40	L	B	0.0000
41	K	B	-2.8295
42	K	B	-2.8966
43	L	B	-1.8234
44	I	B	0.0000
45	D	B	-3.0019
46	K	B	-3.3485
47	V	B	0.0000
48	K	B	-3.4800
49	E	B	-2.7278
50	Y	B	-0.8317