Project name: 3f5faacf8bc6d59

Chain sequence(s)	B: GGQSQVSISVSGSLTTITITLQQQESFTAQLVSIDSSGKSTVISTHTVQT
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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)

• Minimal score value: -3.1689
• Maximal score value: 2.8571
• Average score: -0.0511
• Total score value: -2.5541

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	G	B	-1.2324
2	G	B	-1.7471
3	Q	B	-2.1908
4	S	B	-1.6006
5	Q	B	-0.8774
6	V	B	1.3561
7	S	B	1.4168
8	I	B	2.8571
9	S	B	1.9469
10	V	B	2.3912
11	S	B	0.7973
12	G	B	0.2298
13	S	B	0.6031
14	L	B	1.7578
15	T	B	1.8403
16	T	B	1.6559
17	I	B	2.2216
18	T	B	1.2292
19	I	B	1.1766
20	T	B	-0.1419
21	L	B	-1.2058
22	Q	B	-2.5027
23	Q	B	-2.8741
24	Q	B	-2.9523
25	E	B	-3.1689
26	S	B	-1.6306
27	F	B	-0.3870
28	T	B	-0.4609
29	A	B	-0.6229
30	Q	B	-0.4445
31	L	B	1.2860
32	V	B	1.7591
33	S	B	1.2102
34	I	B	0.8279
35	D	B	-1.1275
36	S	B	-0.9420
37	S	B	-1.1435
38	G	B	-1.3241
39	K	B	-1.8480
40	S	B	0.0928
41	T	B	1.0273
42	V	B	2.6501
43	I	B	2.6777
44	S	B	1.0096
45	T	B	-0.1146
46	H	B	-1.0785
47	T	B	-0.6942
48	V	B	-0.6525
49	Q	B	-1.7922
50	T	B	-1.8175