Project name: query_structure

Chain sequence(s)	A: GSVIKCGESCLLGKCYTPGCTCSRPICKKN
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                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:31)

• Minimal score value: -2.1545
• Maximal score value: 1.4784
• Average score: -0.3988
• Total score value: -11.9642

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	-1.3348
2	S	A	-0.4910
3	V	A	0.3204
4	I	A	1.0212
5	K	A	-1.2462
6	C	A	0.0000
7	G	A	-0.3773
8	E	A	-0.2342
9	S	A	-0.0266
10	C	A	0.0000
11	L	A	1.3758
12	L	A	1.4784
13	G	A	-0.0803
14	K	A	-0.8541
15	C	A	0.0299
16	Y	A	0.7927
17	T	A	-0.2490
18	P	A	-0.1965
19	G	A	-1.0891
20	C	A	-1.1840
21	T	A	-0.9214
22	C	A	-0.3578
23	S	A	-0.9013
24	R	A	-1.4052
25	P	A	-0.5555
26	I	A	-0.1622
27	C	A	0.0000
28	K	A	-1.3873
29	K	A	-1.7743
30	N	A	-2.1545