Project name: query_structure

Chain sequence(s)	A: GSIPCGESCVYIPCISSIVGCACKSKVCYKN
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                                          (00:00:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:51)

• Minimal score value: -1.6085
• Maximal score value: 3.1917
• Average score: 0.5344
• Total score value: 16.5668

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	-1.1107
2	S	A	-0.0947
3	I	A	1.1613
4	P	A	0.2605
5	C	A	0.5639
6	G	A	-0.1509
7	E	A	0.0334
8	S	A	0.4631
9	C	A	1.1260
10	V	A	2.0248
11	Y	A	2.2234
12	I	A	1.8130
13	P	A	1.1505
14	C	A	0.0000
15	I	A	2.5325
16	S	A	1.9688
17	S	A	1.9120
18	I	A	3.1917
19	V	A	2.7682
20	G	A	0.9561
21	C	A	0.0000
22	A	A	-0.0391
23	C	A	-0.0180
24	K	A	-1.1421
25	S	A	-0.9311
26	K	A	-0.8628
27	V	A	-0.4093
28	C	A	0.0000
29	Y	A	-0.4353
30	K	A	-0.7799
31	N	A	-1.6085