Project name: query_structure

Chain sequence(s)	A: GKYTCGETCFKGKCYTPGCTCSYPICKKD
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                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:37)

• Minimal score value: -2.7095
• Maximal score value: 1.4727
• Average score: -0.3712
• Total score value: -10.766

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	-2.0112
2	K	A	-2.0806
3	Y	A	-0.3235
4	T	A	-0.7902
5	C	A	-0.4862
6	G	A	-0.4913
7	E	A	0.1302
8	T	A	0.3578
9	C	A	0.0000
10	F	A	1.0469
11	K	A	-1.1524
12	G	A	-1.0092
13	K	A	-1.3254
14	C	A	-0.1327
15	Y	A	0.8720
16	T	A	0.0564
17	P	A	-0.1782
18	G	A	-0.9209
19	C	A	-0.9589
20	T	A	-0.5163
21	C	A	0.5170
22	S	A	0.9077
23	Y	A	1.4727
24	P	A	1.1403
25	I	A	1.0424
26	C	A	0.0000
27	K	A	-1.1017
28	K	A	-2.1212
29	D	A	-2.7095