Project name: query_structure

Chain sequence(s)	A: GVIPCGESCVFIPCINKKKCSCKNKVCYRD
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                                          (00:01:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:11)

• Minimal score value: -3.4114
• Maximal score value: 2.8297
• Average score: -0.3381
• Total score value: -10.1444

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	0.2219
2	V	A	1.2555
3	I	A	1.6856
4	P	A	0.4756
5	C	A	0.0620
6	G	A	-0.1653
7	E	A	0.1087
8	S	A	0.4656
9	C	A	1.0485
10	V	A	1.5818
11	F	A	2.8297
12	I	A	2.6390
13	P	A	1.1817
14	C	A	0.0000
15	I	A	0.9988
16	N	A	-1.4403
17	K	A	-2.6867
18	K	A	-3.2696
19	K	A	-3.4114
20	C	A	0.0000
21	S	A	-1.7654
22	C	A	-0.8748
23	K	A	-1.6494
24	N	A	-2.1350
25	K	A	-1.4887
26	V	A	-0.8245
27	C	A	0.0000
28	Y	A	-0.8567
29	R	A	-2.2595
30	D	A	-1.8715