Project name: 46bf9f601ecd0f4

Chain sequence(s)	B: APQSVRLAWLSRGPLEKKGQRVAESTVIGAGLQAVSISVSGGTLTVTLRL
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -3.4048
• Maximal score value: 2.5398
• Average score: -0.2446
• Total score value: -12.2317

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	-0.1990
2	P	B	-0.0841
3	Q	B	-0.7307
4	S	B	-0.1173
5	V	B	-0.3396
6	R	B	-1.8277
7	L	B	-0.9415
8	A	B	-0.6277
9	W	B	0.6593
10	L	B	0.1982
11	S	B	-1.0262
12	R	B	-2.7338
13	G	B	-1.6172
14	P	B	-0.4519
15	L	B	0.0933
16	E	B	-2.2129
17	K	B	-3.0118
18	K	B	-3.4048
19	G	B	-2.5975
20	Q	B	-2.2436
21	R	B	-1.6016
22	V	B	0.5520
23	A	B	-0.2335
24	E	B	-1.8627
25	S	B	-1.1724
26	T	B	-0.5683
27	V	B	0.7083
28	I	B	1.6268
29	G	B	0.7013
30	A	B	0.0037
31	G	B	-0.3143
32	L	B	0.0183
33	Q	B	-0.9743
34	A	B	0.2827
35	V	B	1.1689
36	S	B	1.0693
37	I	B	2.5398
38	S	B	1.7289
39	V	B	2.1032
40	S	B	0.4030
41	G	B	-0.3137
42	G	B	-0.2363
43	T	B	0.4197
44	L	B	1.6805
45	T	B	1.3598
46	V	B	1.5810
47	T	B	0.4935
48	L	B	0.1775
49	R	B	-1.0190
50	L	B	0.6627