Project name: bf0b477774ae623

Chain sequence(s)	B: GPVETVSVSMSTDELLALGPSLRLAFGFGENLEEAVAEAQKQPPHLIVIA
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                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)

• Minimal score value: -2.7459
• Maximal score value: 2.3379
• Average score: -0.1671
• Total score value: -8.3563

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	-0.3562
2	P	B	-0.0926
3	V	B	0.6468
4	E	B	-0.7450
5	T	B	0.2193
6	V	B	1.6490
7	S	B	1.3309
8	V	B	2.0483
9	S	B	0.8150
10	M	B	0.2414
11	S	B	-0.9111
12	T	B	-0.4917
13	D	B	-1.8345
14	E	B	-1.7600
15	L	B	0.0000
16	L	B	1.0679
17	A	B	0.3826
18	L	B	1.3112
19	G	B	0.8257
20	P	B	0.6289
21	S	B	0.4902
22	L	B	0.4360
23	R	B	-1.2154
24	L	B	-0.6013
25	A	B	-0.8287
26	F	B	0.7802
27	G	B	0.5581
28	F	B	1.2310
29	G	B	-0.9521
30	E	B	-2.2408
31	N	B	-1.3907
32	L	B	0.0859
33	E	B	-1.5765
34	E	B	-1.9267
35	A	B	-0.2771
36	V	B	0.5384
37	A	B	-0.9184
38	E	B	-1.4219
39	A	B	-1.0016
40	Q	B	-2.1982
41	K	B	-2.7459
42	Q	B	-2.1636
43	P	B	-1.4721
44	P	B	-1.3210
45	H	B	-0.5373
46	L	B	1.0673
47	I	B	1.5167
48	V	B	2.3379
49	I	B	1.5566
50	A	B	0.8588