Project name: query_structure

Chain sequence(s)	A: ALQDLLRTLKSPSSPQVLNILKSNPQLMAAFIKQRTAKYVAN
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -2.4665
• Maximal score value: 1.0966
• Average score: -0.853
• Total score value: -35.8277

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
5	A	A	-0.8240
6	L	A	-0.5632
7	Q	A	-1.5014
8	D	A	-2.0392
9	L	A	0.0000
10	L	A	-0.8378
11	R	A	-2.4665
12	T	A	-1.6072
13	L	A	0.0000
14	K	A	-2.1715
15	S	A	-1.2790
16	P	A	-0.5942
17	S	A	-0.6787
18	S	A	-1.0293
19	P	A	-1.1136
20	Q	A	-1.3969
25	V	A	0.5263
26	L	A	0.8600
27	N	A	-0.2539
28	I	A	-0.2157
29	L	A	0.0000
30	K	A	-1.6107
31	S	A	-1.2136
32	N	A	-1.1556
33	P	A	-1.1323
34	Q	A	-1.1779
35	L	A	-0.5082
36	M	A	-0.4962
37	A	A	-0.7032
38	A	A	-0.8143
39	F	A	-0.7947
40	I	A	0.0000
41	K	A	-1.6239
42	Q	A	-2.0458
43	R	A	-1.6899
44	T	A	-0.9201
45	A	A	-1.1536
46	K	A	-1.3590
47	Y	A	-0.1091
48	V	A	1.0966
49	A	A	-0.3131
50	N	A	-0.9173