Project name: 27c48e8d137d1a3

Chain sequence(s)	B: AALRALMAEEDARLARAKEVLDQLLELGQITEEQRERFLELMERLREARL
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                                          (00:01:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:48)

• Minimal score value: -4.2087
• Maximal score value: 1.1958
• Average score: -1.8644
• Total score value: -93.2206

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	A	B	0.1954
2	A	B	0.7514
3	L	B	1.1958
4	R	B	-0.7318
5	A	B	-0.1372
6	L	B	0.6029
7	M	B	-0.6128
8	A	B	-1.3187
9	E	B	-2.3397
10	E	B	-2.6774
11	D	B	-2.8170
12	A	B	-2.6056
13	R	B	-3.7219
14	L	B	-2.7982
15	A	B	-2.5551
16	R	B	-3.2203
17	A	B	-1.8745
18	K	B	-2.3877
19	E	B	-2.5327
20	V	B	-0.3646
21	L	B	0.0000
22	D	B	-1.7732
23	Q	B	-1.1563
24	L	B	-0.4757
25	L	B	-1.3445
26	E	B	-1.5003
27	L	B	0.1081
28	G	B	-0.9221
29	Q	B	-1.0821
30	I	B	-1.3309
31	T	B	-2.4986
32	E	B	-3.8418
33	E	B	-4.0946
34	Q	B	-3.5136
35	R	B	-3.0048
36	E	B	-4.2087
37	R	B	-3.7284
38	F	B	-1.7699
39	L	B	-2.0888
40	E	B	-2.8565
41	L	B	-1.2973
42	M	B	-1.9066
43	E	B	-3.5787
44	R	B	-3.4016
45	L	B	-2.0800
46	R	B	-3.0766
47	E	B	-3.0568
48	A	B	-2.0287
49	R	B	-1.9547
50	L	B	0.1928