Project name: query_structure

Chain sequence(s)	A: GSTPCGESCVWIPCISGIVGCSCSNKVCYMD
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:24)

• Minimal score value: -1.8251
• Maximal score value: 3.093
• Average score: 0.4881
• Total score value: 15.1296

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	-0.8680
2	S	A	-0.9347
3	T	A	-0.5872
4	P	A	-0.3928
5	C	A	0.1341
6	G	A	-0.2759
7	E	A	0.0625
8	S	A	0.4450
9	C	A	1.1154
10	V	A	1.9148
11	W	A	2.1046
12	I	A	1.7274
13	P	A	1.1628
14	C	A	1.7727
15	I	A	2.6036
16	S	A	2.0908
17	G	A	1.9452
18	I	A	3.0930
19	V	A	2.8074
20	G	A	0.9161
21	C	A	0.0000
22	S	A	0.1685
23	C	A	0.2451
24	S	A	-0.5393
25	N	A	-1.5522
26	K	A	-1.0788
27	V	A	-0.3104
28	C	A	0.0000
29	Y	A	-0.4756
30	M	A	-0.3394
31	D	A	-1.8251