Project name: query_structure

Chain sequence(s)	A: GTLPCGESCVWIPCISSVVGCSCKSKVCYKD
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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -2.0928
• Maximal score value: 2.861
• Average score: 0.2652
• Total score value: 8.2227

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	-1.3099
2	T	A	-0.3220
3	L	A	0.4605
4	P	A	-0.1671
5	C	A	0.1950
6	G	A	-0.1932
7	E	A	0.0651
8	S	A	0.2454
9	C	A	0.7859
10	V	A	1.0875
11	W	A	1.9994
12	I	A	2.3795
13	P	A	1.3723
14	C	A	0.0000
15	I	A	2.6652
16	S	A	1.8656
17	S	A	1.6915
18	V	A	2.8610
19	V	A	2.5583
20	G	A	0.5886
21	C	A	0.0000
22	S	A	-0.5202
23	C	A	-0.5001
24	K	A	-1.8693
25	S	A	-1.3755
26	K	A	-1.3422
27	V	A	-0.8044
28	C	A	0.0000
29	Y	A	-0.9424
30	K	A	-1.1590
31	D	A	-2.0928