Project name: query_structure

Chain sequence(s)	A: GCPRLLMRCKQDSDCLAGCVCGPNGFCG
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                                          (00:00:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:32)

• Minimal score value: -2.842
• Maximal score value: 1.7066
• Average score: -0.5459
• Total score value: -15.2841

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	-0.1660
2	C	A	0.0548
3	P	A	-0.5263
4	R	A	-0.5900
5	L	A	1.2458
6	L	A	1.7066
7	M	A	0.3869
8	R	A	-1.6017
9	C	A	-2.0395
10	K	A	-2.8420
11	Q	A	-2.7952
12	D	A	-1.7802
13	S	A	-1.1270
14	D	A	-1.5332
15	C	A	-0.3857
16	L	A	1.0251
17	A	A	0.4278
18	G	A	0.0330
19	C	A	0.0000
20	V	A	0.4458
21	C	A	-1.0583
22	G	A	0.0000
23	P	A	-0.7980
24	N	A	-1.5412
25	G	A	-1.1123
26	F	A	-0.3171
27	C	A	0.0000
28	G	A	-0.3962