Project name: query_structure

Chain sequence(s)	A: GCEGKQCGLFRSCGGGCRCWPTVTPGVGICSSS
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)

• Minimal score value: -2.0199
• Maximal score value: 1.6642
• Average score: -0.337
• Total score value: -11.1222

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	-1.0662
2	C	A	-1.5091
3	E	A	-2.0199
4	G	A	-1.4259
5	K	A	-1.5514
6	Q	A	-0.4971
7	C	A	0.0000
8	G	A	0.7539
9	L	A	1.6642
10	F	A	1.4228
11	R	A	-0.6827
12	S	A	-0.9376
13	C	A	-1.3189
14	G	A	-1.4113
15	G	A	-1.1311
16	G	A	-1.3444
17	C	A	-1.3712
18	R	A	-1.4208
19	C	A	-0.0038
20	W	A	1.1713
21	P	A	0.7536
22	T	A	1.1577
23	V	A	1.6031
24	T	A	0.5765
25	P	A	-0.0827
26	G	A	0.4290
27	V	A	0.8953
28	G	A	0.0000
29	I	A	0.1871
30	C	A	0.0000
31	S	A	-1.1980
32	S	A	-1.4607
33	S	A	-1.3039