Project name: query_structure

Chain sequence(s)	A: GLPICGETCFKTKCYTKGCSCSYPVCKRN
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                                          (00:00:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)

• Minimal score value: -1.97
• Maximal score value: 1.5426
• Average score: -0.1726
• Total score value: -5.0061

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	-0.6963
2	L	A	0.9232
3	P	A	0.6017
4	I	A	1.4806
5	C	A	0.2754
6	G	A	-0.0757
7	E	A	-0.0279
8	T	A	0.2521
9	C	A	0.0000
10	F	A	1.1938
11	K	A	-1.0005
12	T	A	-0.9338
13	K	A	-1.1035
14	C	A	-0.3204
15	Y	A	0.3753
16	T	A	-0.7032
17	K	A	-1.7824
18	G	A	-1.8123
19	C	A	-1.3209
20	S	A	-0.9814
21	C	A	0.4820
22	S	A	0.6675
23	Y	A	1.5426
24	P	A	1.2965
25	V	A	1.1030
26	C	A	0.0000
27	K	A	-0.5690
28	R	A	-1.9700
29	N	A	-1.9025