Project name: query_structure

Chain sequence(s)	A: DVKAVCSQEAMTGPCRAVMPRWYFDLSKGKCVRFIYGGGGNRNNFESEDYCMVCKAM
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                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)

• Minimal score value: -2.2098
• Maximal score value: 1.8523
• Average score: -0.633
• Total score value: -36.0817

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	D	A	-1.6435
2	V	A	-0.4019
3	K	A	-1.7499
4	A	A	-1.3107
5	V	A	-1.4253
6	C	A	0.0000
7	S	A	-0.9887
8	Q	A	-1.9723
9	E	A	-2.1398
10	A	A	-1.1555
11	M	A	-0.3727
12	T	A	0.2654
13	G	A	0.0000
14	P	A	-0.5101
15	C	A	-0.3931
16	R	A	-1.0907
17	A	A	0.3213
18	V	A	1.8523
19	M	A	0.9878
20	P	A	0.0619
21	R	A	-0.7695
22	W	A	-1.1070
23	Y	A	-0.8254
24	F	A	0.0000
25	D	A	-1.3273
26	L	A	-0.2247
27	S	A	-0.7099
28	K	A	-1.9367
29	G	A	-1.5361
30	K	A	-2.1961
31	C	A	0.0000
32	V	A	-1.1306
33	R	A	-1.5797
34	F	A	0.3416
35	I	A	1.3499
36	Y	A	0.6323
37	G	A	0.0000
38	G	A	0.0000
39	G	A	-0.8397
40	G	A	-0.8662
41	N	A	-1.5898
42	R	A	-2.1638
43	N	A	0.0000
44	N	A	-1.2850
45	F	A	-1.3406
46	E	A	-2.2098
47	S	A	-1.7781
48	E	A	-1.9238
49	D	A	-1.3501
50	Y	A	0.3352
51	C	A	0.0000
52	M	A	0.3080
53	V	A	1.6841
54	C	A	0.0000
55	K	A	-0.5922
56	A	A	0.1576
57	M	A	0.0572