Project name: query_structure

Chain sequence(s)	A: GCCSNPVCHLEHSNLCGAGGAAG
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -1.0319
• Maximal score value: 1.331
• Average score: -0.2143
• Total score value: -4.9287

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	-0.4154
2	C	A	0.2196
3	C	A	0.0000
4	S	A	-0.4850
5	N	A	-0.3226
6	P	A	0.2107
7	V	A	1.3310
8	C	A	0.0000
9	H	A	-0.1457
10	L	A	0.6251
11	E	A	-1.0319
12	H	A	-0.6227
13	S	A	-0.5631
14	N	A	-0.9917
15	L	A	0.3704
16	C	A	0.0000
17	G	A	-0.4472
18	A	A	-0.4463
19	G	A	-0.5422
20	G	A	-0.5389
21	A	A	-0.1567
22	A	A	-0.4569
23	G	A	-0.5192