Project name: query_structure

Chain sequence(s)	A: GLPCGETCFTGKCYTPGCSCSYPICKKIN
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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)

• Minimal score value: -0.9093
• Maximal score value: 1.8021
• Average score: 0.1989
• Total score value: 5.7695

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	0.0721
2	L	A	0.9165
3	P	A	0.0616
4	C	A	-0.2660
5	G	A	-0.6199
6	E	A	-0.4801
7	T	A	0.3313
8	C	A	0.0000
9	F	A	1.8021
10	T	A	0.4340
11	G	A	-0.1015
12	K	A	-0.9093
13	C	A	-0.1797
14	Y	A	0.7910
15	T	A	-0.0277
16	P	A	-0.1329
17	G	A	-0.2912
18	C	A	-0.1737
19	S	A	0.0038
20	C	A	0.5703
21	S	A	0.6795
22	Y	A	1.5265
23	P	A	1.1746
24	I	A	0.6996
25	C	A	0.0000
26	K	A	-0.2334
27	K	A	-0.2763
28	I	A	0.9247
29	N	A	-0.5264