Project name: 598adcb34c9b9d2

Chain sequence(s)	A: ATVHQKTAEGDKTCPDGYEHTCGCIGGCGCKRSACIGALCCQASLGGWLSDGETYTYEFHVDTW
Selected Chain(s)	A
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 A 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                                          (00:00:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:43)

• Minimal score value: -3.2532
• Maximal score value: 2.0287
• Average score: -0.5342
• Total score value: -34.1865

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	A	0.5999
2	T	A	0.1750
3	V	A	0.4923
4	H	A	-0.9612
5	Q	A	-1.6168
6	K	A	-2.1716
7	T	A	-0.9374
8	A	A	-1.1291
9	E	A	-2.1746
10	G	A	-1.8923
11	D	A	-3.1045
12	K	A	-3.2532
13	T	A	-1.9451
14	C	A	-1.7401
15	P	A	-1.5097
16	D	A	-2.4096
17	G	A	-1.9363
18	Y	A	-1.9449
19	E	A	-2.6971
20	H	A	-1.5896
21	T	A	-0.4616
22	C	A	0.8257
23	G	A	0.5484
24	C	A	0.0000
25	I	A	2.0287
26	G	A	0.7645
27	G	A	0.4742
28	C	A	0.1694
29	G	A	0.0000
30	C	A	0.0000
31	K	A	-0.7143
32	R	A	-1.6105
33	S	A	-1.2431
34	A	A	-0.1397
35	C	A	0.5349
36	I	A	1.7330
37	G	A	1.0130
38	A	A	1.1477
39	L	A	1.6255
40	C	A	0.0000
41	C	A	0.0000
42	Q	A	0.3111
43	A	A	0.1435
44	S	A	0.0188
45	L	A	0.2316
46	G	A	-0.2684
47	G	A	0.0000
48	W	A	0.3330
49	L	A	0.4814
50	S	A	-1.2396
51	D	A	-2.1932
52	G	A	-2.0236
53	E	A	-2.9524
54	T	A	-1.9336
55	Y	A	-0.3583
56	T	A	-0.0729
57	Y	A	0.2205
58	E	A	-1.2211
59	F	A	0.2803
60	H	A	-0.3703
61	V	A	0.4303
62	D	A	-0.3426
63	T	A	0.2247
64	W	A	1.1644