Project name: query_structure

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

• Minimal score value: -2.8235
• Maximal score value: 2.5285
• Average score: -0.2199
• Total score value: -10.5536

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	1.7578
2	N	A	0.1496
3	Y	A	1.0496
4	G	A	-0.3517
5	N	A	-1.0554
6	G	A	-0.2272
7	V	A	1.4611
8	S	A	0.3513
9	C	A	0.0258
10	S	A	-0.9998
11	K	A	-2.1153
12	T	A	-1.5720
13	K	A	-1.9105
14	C	A	-0.5609
15	S	A	0.1346
16	V	A	0.9150
17	N	A	-0.2058
18	W	A	0.5412
19	G	A	-0.6508
20	Q	A	-1.5876
21	A	A	-0.8841
22	F	A	-0.2002
23	Q	A	-1.7946
24	E	A	-2.8235
25	R	A	-2.3684
26	Y	A	-0.5045
27	T	A	-0.5534
28	A	A	-0.7605
29	G	A	0.1197
30	I	A	1.2304
31	N	A	0.0037
32	S	A	0.9124
33	F	A	2.5285
34	V	A	1.4665
35	S	A	0.6526
36	G	A	0.6844
37	V	A	1.7404
38	A	A	0.9016
39	S	A	-0.0579
40	G	A	-0.1918
41	A	A	0.3842
42	G	A	0.4339
43	S	A	0.3455
44	I	A	0.8514
45	G	A	-0.8883
46	R	A	-2.5409
47	R	A	-2.7158
48	P	A	-1.6739