Project name: query_structure

Chain sequence(s)	A: GVIPCGESCVFIPCISSVIGCSCKNKVCYRN
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -2.2801
• Maximal score value: 2.9878
• Average score: 0.5452
• Total score value: 16.9004

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	-0.0222
2	V	A	1.8820
3	I	A	1.9887
4	P	A	0.5905
5	C	A	0.5670
6	G	A	-0.3077
7	E	A	0.1295
8	S	A	0.2773
9	C	A	0.8709
10	V	A	1.4892
11	F	A	2.7356
12	I	A	2.7073
13	P	A	1.5325
14	C	A	0.0000
15	I	A	2.7674
16	S	A	1.9043
17	S	A	1.7594
18	V	A	2.9878
19	I	A	2.7054
20	G	A	0.8037
21	C	A	0.0000
22	S	A	-0.5072
23	C	A	-0.6648
24	K	A	-2.1870
25	N	A	-2.2801
26	K	A	-1.6526
27	V	A	-1.1294
28	C	A	0.0000
29	Y	A	-0.4156
30	R	A	-0.5452
31	N	A	-1.0863