Project name: query_structure

Chain sequence(s)	A: GCRFCCNCCPNMSGCGVCCRF
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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -0.8022
• Maximal score value: 2.3971
• Average score: 0.6306
• Total score value: 13.2428

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	-0.6675
2	C	A	0.4086
3	R	A	-0.0315
4	F	A	2.1966
5	C	A	1.5113
6	C	A	1.2785
7	N	A	-0.1606
8	C	A	0.8974
9	C	A	0.5319
10	P	A	-0.3053
11	N	A	-0.8022
12	M	A	0.4115
13	S	A	-0.0830
14	G	A	0.0144
15	C	A	1.4988
16	G	A	1.6710
17	V	A	2.3971
18	C	A	1.2722
19	C	A	0.6329
20	R	A	-0.4893
21	F	A	1.0600