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]                                                (00:00:00)
[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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -2.0242
• Maximal score value: 2.8701
• Average score: 0.5127
• Total score value: 15.8946

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	-0.3738
2	T	A	0.3684
3	V	A	1.4717
4	P	A	0.5314
5	C	A	0.5001
6	G	A	-0.1702
7	E	A	0.0796
8	S	A	0.4836
9	C	A	1.1286
10	V	A	2.1950
11	F	A	2.8701
12	I	A	2.1002
13	P	A	1.3234
14	C	A	1.5177
15	I	A	2.2450
16	T	A	1.5036
17	G	A	1.4316
18	I	A	2.2210
19	A	A	1.1498
20	G	A	0.1804
21	C	A	0.0000
22	S	A	-0.2211
23	C	A	-0.2261
24	K	A	-1.4981
25	N	A	-2.0242
26	K	A	-1.2771
27	V	A	-0.6022
28	C	A	0.0000
29	Y	A	-0.0122
30	I	A	0.2371
31	D	A	-1.2387