Project name: query_structure

Chain sequence(s)	A: CKGKGAPCRKTMYDCCKGRCGRRGRC
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                                          (00:00:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)

• Minimal score value: -3.9859
• Maximal score value: 0.1677
• Average score: -1.9577
• Total score value: -50.9004

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	C	A	0.1677
2	K	A	-1.6552
3	G	A	-1.9818
4	K	A	-2.9269
5	G	A	-1.9116
6	A	A	-1.6773
7	P	A	-2.4164
8	C	A	0.0000
9	R	A	-2.9656
10	K	A	-3.1819
11	T	A	-0.8339
12	M	A	0.1642
13	Y	A	0.0182
14	D	A	-0.5435
15	C	A	0.0000
16	C	A	-0.7625
17	K	A	-2.3875
18	G	A	-1.9628
19	R	A	-2.5974
20	C	A	-2.8081
21	G	A	-2.9543
22	R	A	-3.6132
23	R	A	-3.5570
24	G	A	-3.2879
25	R	A	-3.9859
26	C	A	-3.2398