Project name: a7b0946f3c29050

Chain sequence(s)	A: ATVHQKTRKEKNCPDGYIYSSNTASGYDCGVWICRRVGSAFCSRTGDYTSPSEFDIYEFYVEGW
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                                          (00:01:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:01)

• Minimal score value: -3.501
• Maximal score value: 1.9727
• Average score: -0.4706
• Total score value: -30.1204

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	0.5907
2	T	A	0.3311
3	V	A	1.0868
4	H	A	-0.1176
5	Q	A	-0.7118
6	K	A	-1.5315
7	T	A	-1.6637
8	R	A	-2.6507
9	K	A	-3.5010
10	E	A	-3.4604
11	K	A	-3.1857
12	N	A	-2.3583
13	C	A	-1.0234
14	P	A	-1.4877
15	D	A	-1.7980
16	G	A	-0.6781
17	Y	A	-0.2266
18	I	A	0.7577
19	Y	A	1.2272
20	S	A	0.0000
21	S	A	-0.0263
22	N	A	-1.1282
23	T	A	-0.9915
24	A	A	-0.5934
25	S	A	-0.5024
26	G	A	-0.7111
27	Y	A	-0.8686
28	D	A	-1.6436
29	C	A	-0.1563
30	G	A	0.4579
31	V	A	1.9459
32	W	A	1.9727
33	I	A	1.4689
34	C	A	0.0000
35	R	A	0.2891
36	R	A	-0.5619
37	V	A	0.9578
38	G	A	0.1648
39	S	A	-0.0315
40	A	A	0.1450
41	F	A	0.8542
42	C	A	0.0000
43	S	A	-0.7856
44	R	A	-1.7477
45	T	A	-1.0172
46	G	A	-1.0402
47	D	A	-1.2021
48	Y	A	-0.1179
49	T	A	0.0740
50	S	A	-0.1379
51	P	A	0.0000
52	S	A	-1.6965
53	E	A	-3.1065
54	F	A	-1.8301
55	D	A	-1.9129
56	I	A	-0.5667
57	Y	A	0.3015
58	E	A	-0.3519
59	F	A	1.5430
60	Y	A	1.2355
61	V	A	1.0508
62	E	A	-0.5748
63	G	A	0.0775
64	W	A	1.0448