Project name: query_structure

Chain sequence(s)	A: CKGKGAKCSRLMYDCCTGSCRSGKC
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                                          (00:00:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:25)

• Minimal score value: -3.8664
• Maximal score value: 1.6501
• Average score: -1.4515
• Total score value: -36.2877

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	0.1091
2	K	A	-1.8804
3	G	A	-2.2375
4	K	A	-3.3885
5	G	A	-2.9098
6	A	A	-2.7044
7	K	A	-3.7807
8	C	A	-2.4280
9	S	A	-1.2511
10	R	A	-1.4982
11	L	A	1.2104
12	M	A	1.6501
13	Y	A	1.5645
14	D	A	-0.4534
15	C	A	-1.1040
16	C	A	-0.1029
17	T	A	-0.4851
18	G	A	-1.1778
19	S	A	-1.3991
20	C	A	-2.0285
21	R	A	-3.3102
22	S	A	-2.1822
23	G	A	-2.6336
24	K	A	-3.8664
25	C	A	0.0000