Project name: 3afa20147202f7d

Chain sequence(s)	A: VSVRTPEGIIATGCDKLGCYIGQRSRLGVQVIILPGRIISPNTQLGPRVIVERNLPTGTYSLRQELIRTGD
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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -3.1064
• Maximal score value: 1.6583
• Average score: -0.5612
• Total score value: -39.8426

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	V	A	-0.4585
2	S	A	0.2016
3	V	A	0.0000
4	R	A	-1.1710
5	T	A	-0.7873
6	P	A	-1.2469
7	E	A	-1.6794
8	G	A	-0.2775
9	I	A	1.4942
10	I	A	1.5537
11	A	A	0.9135
12	T	A	0.2124
13	G	A	-0.6258
14	C	A	-1.1009
15	D	A	-2.3466
16	K	A	-2.2377
17	L	A	-0.6136
18	G	A	-0.1913
19	C	A	0.7572
20	Y	A	1.3566
21	I	A	0.8020
22	G	A	-0.6782
23	Q	A	-2.2450
24	R	A	-3.1064
25	S	A	-2.4801
26	R	A	-2.3725
27	L	A	-0.3627
28	G	A	-0.0529
29	V	A	0.8694
30	Q	A	-0.2021
31	V	A	0.8614
32	I	A	1.6583
33	I	A	0.9687
34	L	A	0.1894
35	P	A	-0.4781
36	G	A	0.0000
37	R	A	-0.8758
38	I	A	0.2039
39	I	A	0.0000
40	S	A	-0.4681
41	P	A	-1.4846
42	N	A	-2.3283
43	T	A	0.0000
44	Q	A	-1.8944
45	L	A	0.0000
46	G	A	-0.2718
47	P	A	0.0140
48	R	A	-0.7504
49	V	A	0.0000
50	I	A	1.1218
51	V	A	0.0000
52	E	A	-2.0286
53	R	A	-2.7777
54	N	A	-1.7189
55	L	A	-0.6980
56	P	A	-0.4624
57	T	A	-0.5604
58	G	A	-0.5355
59	T	A	-0.7259
60	Y	A	-0.0196
61	S	A	-0.4393
62	L	A	-0.5470
63	R	A	-2.2835
64	Q	A	-2.1168
65	E	A	-1.6166
66	L	A	0.9058
67	I	A	1.2101
68	R	A	-1.1230
69	T	A	-0.7537
70	G	A	-1.6188
71	D	A	-2.3230