Project name: query_structure

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

• Minimal score value: -3.429
• Maximal score value: 0.0
• Average score: -1.986
• Total score value: -43.6912

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	P	A	-1.6896
2	R	A	-2.4673
3	C	A	-2.0672
4	C	A	-2.1119
5	N	A	-2.4408
6	G	A	-2.5679
7	R	A	-3.1300
8	R	A	-2.6934
9	G	A	-2.0399
10	C	A	-0.9669
11	S	A	-1.2031
12	S	A	-1.1898
13	R	A	-2.3625
14	W	A	-1.8506
15	C	A	0.0000
16	R	A	-3.2888
17	D	A	-3.4290
18	H	A	-2.8076
19	S	A	0.0000
20	R	A	-2.6472
21	C	A	-1.9550
22	C	A	-0.7827