Project name: query_structure

Chain sequence(s)	A: GLCSENGDCAADECCVDTVFEGDMVTRSCEKTTGNFTECPGLTPIA
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                                          (00:00:22)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:23)

• Minimal score value: -2.6312
• Maximal score value: 2.5016
• Average score: -0.5301
• Total score value: -24.3863

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	G	A	-0.0430
2	L	A	0.7616
3	C	A	-0.6704
4	S	A	-1.2820
5	E	A	-2.6312
6	N	A	-2.6209
7	G	A	-2.4382
8	D	A	-2.0456
9	C	A	-1.3042
10	A	A	-1.5832
11	A	A	-1.5065
12	D	A	-2.4255
13	E	A	-2.1806
14	C	A	-2.1240
15	C	A	0.0000
16	V	A	-0.3526
17	D	A	0.1119
18	T	A	1.3735
19	V	A	2.5016
20	F	A	2.1917
21	E	A	-0.6609
22	G	A	-0.9479
23	D	A	-1.4223
24	M	A	0.6929
25	V	A	1.9841
26	T	A	1.0948
27	R	A	-0.8239
28	S	A	-0.6271
29	C	A	-1.2290
30	E	A	-1.7194
31	K	A	-2.3727
32	T	A	-1.4555
33	T	A	-0.8310
34	G	A	-0.8728
35	N	A	-0.7871
36	F	A	0.0605
37	T	A	-1.1311
38	E	A	-2.1413
39	C	A	-1.1651
40	P	A	-0.2267
41	G	A	0.0682
42	L	A	1.3649
43	T	A	1.4513
44	P	A	0.9289
45	I	A	1.8716
46	A	A	0.7779