Project name: query_structure

Chain sequence(s)	A: AVAQSFNMQQQRRFYEALHDPNLNEEQRNAKIKSIRDD
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                                          (00:00:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:43)

• Minimal score value: -3.8632
• Maximal score value: 1.5017
• Average score: -1.7603
• Total score value: -66.8898

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	0.6074
2	V	A	1.5017
3	A	A	0.2061
4	Q	A	-0.7448
5	S	A	-0.3398
6	F	A	0.6204
7	N	A	-0.9770
8	M	A	0.0961
9	Q	A	-1.0818
10	Q	A	-1.7061
11	Q	A	-2.0846
12	R	A	-2.8164
13	R	A	-2.6436
14	F	A	-1.8585
15	Y	A	-0.7185
16	E	A	-2.1201
17	A	A	0.0000
18	L	A	-0.2133
19	H	A	-1.0172
20	D	A	-1.5359
21	P	A	-1.7704
22	N	A	-2.1384
23	L	A	-2.3487
24	N	A	-3.0403
25	E	A	-3.8138
26	E	A	-3.8632
27	Q	A	-3.0401
28	R	A	-3.2185
29	N	A	-3.1775
30	A	A	-2.5929
31	K	A	-2.8223
32	I	A	-2.5354
33	K	A	-3.4596
34	S	A	-2.7356
35	I	A	0.0000
36	R	A	-3.6730
37	D	A	-3.5647
38	D	A	-2.2695