Project name: ec2f3c7f344d6e40df1681668b161bba

Chain sequence(s)	B: MVDVSAVDDSKDKELREKVRFYGRIVENEPELSEEALKATAERAKELAKEAGAEDVVIEVGSGC
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:39)

• Minimal score value: -4.7022
• Maximal score value: 0.3915
• Average score: -1.957
• Total score value: -125.2511

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	M	B	-0.8249
2	V	B	0.0000
3	D	B	-0.4708
4	V	B	-0.3985
5	S	B	-0.5044
6	A	B	-1.3341
7	V	B	0.0000
8	D	B	-3.1180
9	D	B	-3.3523
10	S	B	-2.5875
11	K	B	-3.7798
12	D	B	-4.5690
13	K	B	-4.7022
14	E	B	-4.0814
15	L	B	-3.4186
16	R	B	-3.6435
17	E	B	-2.9864
18	K	B	-2.0149
19	V	B	0.0000
20	R	B	-0.8767
21	F	B	0.3834
22	Y	B	-0.8296
23	G	B	0.0000
24	R	B	-2.1847
25	I	B	-1.2364
26	V	B	0.0000
27	E	B	-2.9643
28	N	B	-3.1816
29	E	B	-2.8570
30	P	B	-2.2569
31	E	B	-2.3420
32	L	B	-1.7713
33	S	B	-2.2161
34	E	B	-3.3716
35	E	B	-3.1496
36	A	B	-2.2666
37	L	B	0.0000
38	K	B	-3.4359
39	A	B	-2.5814
40	T	B	-2.2703
41	A	B	0.0000
42	E	B	-3.6923
43	R	B	-3.9467
44	A	B	0.0000
45	K	B	-3.3215
46	E	B	-4.1181
47	L	B	-3.3894
48	A	B	0.0000
49	K	B	-4.4009
50	E	B	-3.7932
51	A	B	0.0000
52	G	B	-3.1855
53	A	B	0.0000
54	E	B	-3.4627
55	D	B	-2.7216
56	V	B	-1.4176
57	V	B	0.3915
58	I	B	-0.6158
59	E	B	-1.6134
60	V	B	-1.5329
61	G	B	-1.3672
62	S	B	-0.7413
63	G	B	-1.3159
64	C	B	0.1883