Project name: query_structure

Chain sequence(s)	A: VYPCGICTNEVNDDQAILCEASCGKWFHRICTGMTEAYGLTTEASAVWGCDTCMADKD
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -3.4796
• Maximal score value: 1.5727
• Average score: -0.6633
• Total score value: -38.4715

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	1.4581
2	Y	A	0.8751
3	P	A	-0.5742
4	C	A	0.0000
5	G	A	-0.3904
6	I	A	0.6459
7	C	A	0.0568
8	T	A	-0.5959
9	N	A	-1.7962
10	E	A	-2.1495
11	V	A	-1.6889
12	N	A	-2.4448
13	D	A	-3.4796
14	D	A	-3.2039
15	Q	A	-2.2501
16	A	A	-1.0145
17	I	A	-0.3838
18	L	A	-0.1378
19	C	A	0.0000
20	E	A	-1.4687
21	A	A	-0.9991
22	S	A	-1.1494
23	C	A	-0.9938
24	G	A	-1.5425
25	K	A	-1.5265
26	W	A	-0.3239
27	F	A	0.0000
28	H	A	-0.5278
29	R	A	-0.2354
30	I	A	1.3200
31	C	A	1.1264
32	T	A	0.2836
33	G	A	0.0932
34	M	A	0.2418
35	T	A	-0.2308
36	E	A	-1.3076
37	A	A	-0.0366
38	Y	A	0.8024
39	G	A	0.7600
40	L	A	1.5727
41	T	A	0.2818
42	T	A	-0.6129
43	E	A	-1.4162
44	A	A	-0.4811
45	S	A	-0.1524
46	A	A	0.3476
47	V	A	1.3598
48	W	A	0.7054
49	G	A	-0.5085
50	C	A	0.0000
51	D	A	-1.9171
52	T	A	-1.3695
53	C	A	0.0000
54	M	A	-1.6222
55	A	A	-2.1768
56	D	A	-3.2615
57	K	A	-3.4043
58	D	A	-3.0279