Project name: a075be49e1b90c6937869c8fc8211e3f

Chain sequence(s)	B: CGSGMVVVTAKVVKTEEGDYIKVTVEGDSSSKIAGKLAKKAKEEVEELWEKYGEAEVTLKEGEL
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                                          (00:02:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:43)

• Minimal score value: -4.8733
• Maximal score value: 0.0
• Average score: -1.7645
• Total score value: -112.9298

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	C	B	-0.1367
2	G	B	-0.7670
3	S	B	-0.4891
4	G	B	-0.8054
5	M	B	-0.3889
6	V	B	0.0000
7	V	B	-1.0315
8	V	B	0.0000
9	T	B	-0.9100
10	A	B	0.0000
11	K	B	-2.3112
12	V	B	0.0000
13	V	B	-1.6165
14	K	B	-3.0261
15	T	B	-2.7588
16	E	B	-3.4622
17	E	B	-3.3556
18	G	B	-2.7474
19	D	B	-2.7877
20	Y	B	-0.8490
21	I	B	-1.2197
22	K	B	-1.2595
23	V	B	-0.5941
24	T	B	-0.3684
25	V	B	-0.7898
26	E	B	-2.1128
27	G	B	-1.9915
28	D	B	-2.5071
29	S	B	-1.7724
30	S	B	-1.1694
31	S	B	-1.6206
32	K	B	-2.2061
33	I	B	-1.5546
34	A	B	0.0000
35	G	B	-2.0845
36	K	B	-2.5661
37	L	B	0.0000
38	A	B	-2.2172
39	K	B	-3.4378
40	K	B	-3.1693
41	A	B	0.0000
42	K	B	-4.0503
43	E	B	-4.4118
44	E	B	-4.1220
45	V	B	0.0000
46	E	B	-4.8733
47	E	B	-4.4400
48	L	B	-3.1995
49	W	B	-3.2373
50	E	B	-3.6194
51	K	B	-2.8491
52	Y	B	-0.8533
53	G	B	-1.8203
54	E	B	-3.0067
55	A	B	-2.6946
56	E	B	-2.8528
57	V	B	0.0000
58	T	B	-0.7178
59	L	B	-0.5015
60	K	B	-1.1828
61	E	B	-1.2898
62	G	B	-1.2930
63	E	B	-1.7206
64	L	B	-0.1099