Project name: query_structure

Chain sequence(s)	A: VYPCGACRSEVNDDDQAILCEASCQKWFHRECTGMTEAYGLLTEASAVWACDLCKTKE
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                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)

• Minimal score value: -3.7925
• Maximal score value: 2.0926
• Average score: -1.0087
• Total score value: -58.5046

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	1.7237
2	Y	A	1.1388
3	P	A	-0.5671
4	C	A	0.0000
5	G	A	-1.3192
6	A	A	-1.1190
7	C	A	-0.9531
8	R	A	-1.9207
9	S	A	-1.2245
10	E	A	-1.1482
11	V	A	-1.4832
12	N	A	-2.6516
13	D	A	-3.5147
14	D	A	-3.7158
15	D	A	-3.7925
16	Q	A	-3.2419
17	A	A	-1.9442
18	I	A	-0.4987
19	L	A	-0.3974
20	C	A	0.0000
21	E	A	-1.7259
22	A	A	-1.0313
23	S	A	-1.4816
24	C	A	-1.2019
25	Q	A	-2.3035
26	K	A	-1.9492
27	W	A	-0.8813
28	F	A	0.0000
29	H	A	0.0000
30	R	A	-3.0160
31	E	A	-2.8822
32	C	A	-1.6088
33	T	A	-1.4263
34	G	A	-1.3068
35	M	A	-1.0092
36	T	A	-1.1711
37	E	A	-1.5219
38	A	A	0.2359
39	Y	A	1.3853
40	G	A	0.9120
41	L	A	1.8827
42	L	A	2.0926
43	T	A	0.4057
44	E	A	-0.9490
45	A	A	-0.2957
46	S	A	-0.1802
47	A	A	0.5195
48	V	A	1.2334
49	W	A	0.5222
50	A	A	-0.8586
51	C	A	0.0000
52	D	A	-2.0372
53	L	A	-0.8081
54	C	A	0.0000
55	K	A	-3.0244
56	T	A	-2.3395
57	K	A	-3.0811
58	E	A	-2.9738