Project name: query_structure

Chain sequence(s)	A: AVCSQEAMTGPCRAVMPRWYFDLSKGKCVRFIYGGGGNRNNFESEDYCMVCKAM
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                                          (00:01:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:20)

• Minimal score value: -2.3789
• Maximal score value: 1.8511
• Average score: -0.614
• Total score value: -33.1581

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	-0.0319
2	V	A	-0.5625
3	C	A	-0.2446
4	S	A	-0.5940
5	Q	A	-1.6023
6	E	A	-2.1030
7	A	A	-1.1524
8	M	A	-0.4615
9	T	A	0.1831
10	G	A	-0.3439
11	P	A	-0.5855
12	C	A	-0.4599
13	R	A	-1.1266
14	A	A	0.3003
15	V	A	1.8511
16	M	A	0.9990
17	P	A	0.0366
18	R	A	-0.8645
19	W	A	-1.2543
20	Y	A	-0.8736
21	F	A	0.0000
22	D	A	-1.2771
23	L	A	-0.2175
24	S	A	-0.6918
25	K	A	-1.8881
26	G	A	-1.5186
27	K	A	-2.1442
28	C	A	-1.3175
29	V	A	-1.0768
30	R	A	-1.6209
31	F	A	0.3098
32	I	A	1.3151
33	Y	A	0.5650
34	G	A	0.0000
35	G	A	0.0000
36	G	A	-0.8819
37	G	A	-0.9088
38	N	A	-1.5022
39	R	A	-2.2243
40	N	A	0.0000
41	N	A	-1.3780
42	F	A	0.0000
43	E	A	-2.3789
44	S	A	-1.9876
45	E	A	-2.3030
46	D	A	-1.6787
47	Y	A	-0.1023
48	C	A	0.0000
49	M	A	-0.2910
50	V	A	0.7402
51	C	A	0.0000
52	K	A	-0.8495
53	A	A	0.1604
54	M	A	0.8805