Project name: query_structure

Chain sequence(s)	A: GTVPCGESCVFIPCITGIAGCSCKNKVCYID
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:27)

• Minimal score value: -2.5146
• Maximal score value: 2.9203
• Average score: 0.4105
• Total score value: 12.7253

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	-0.8559
2	T	A	0.3309
3	V	A	1.4764
4	P	A	0.4563
5	C	A	0.5267
6	G	A	-0.1554
7	E	A	0.1205
8	S	A	0.4429
9	C	A	1.1162
10	V	A	2.2354
11	F	A	2.9203
12	I	A	2.3367
13	P	A	1.3952
14	C	A	1.7020
15	I	A	2.4030
16	T	A	1.5617
17	G	A	1.2170
18	I	A	2.2373
19	A	A	1.0057
20	G	A	0.1224
21	C	A	0.3848
22	S	A	-0.4829
23	C	A	-0.7688
24	K	A	-2.5146
25	N	A	-2.3369
26	K	A	-1.5273
27	V	A	-0.8154
28	C	A	0.0000
29	Y	A	-0.2147
30	I	A	-0.0174
31	D	A	-1.5768