Project name: query_structure

Chain sequence(s)	A: LLACLFGNGRCSSNRDCCELTPVCKRGSCVSSGPGLVGGILGGIL
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -2.7492
• Maximal score value: 2.7038
• Average score: 0.0231
• Total score value: 1.0394

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	L	A	2.3818
2	L	A	2.4965
3	A	A	1.6179
4	C	A	1.8465
5	L	A	2.2484
6	F	A	1.7616
7	G	A	0.1090
8	N	A	-1.3210
9	G	A	-1.4152
10	R	A	-2.6221
11	C	A	-2.0970
12	S	A	-1.7597
13	S	A	-2.1558
14	N	A	-2.4784
15	R	A	-2.3721
16	D	A	-1.4259
17	C	A	0.0000
18	C	A	0.2454
19	E	A	-0.6799
20	L	A	0.8295
21	T	A	-0.0618
22	P	A	-0.8369
23	V	A	-1.0950
24	C	A	-2.0996
25	K	A	-2.5618
26	R	A	-2.7492
27	G	A	-2.3628
28	S	A	-2.3001
29	C	A	0.0000
30	V	A	0.0357
31	S	A	0.0374
32	S	A	-0.4151
33	G	A	-0.4796
34	P	A	-0.0891
35	G	A	0.5334
36	L	A	2.1578
37	V	A	2.2584
38	G	A	1.5128
39	G	A	1.9532
40	I	A	2.7038
41	L	A	2.2704
42	G	A	1.2888
43	G	A	1.4233
44	I	A	2.4489
45	L	A	2.2570