Project name: query_structure

Chain sequence(s)	A: CKLKGQSCRKTSYDCCSGSCGRSGKC
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -3.5472
• Maximal score value: 0.6455
• Average score: -1.4914
• Total score value: -38.7757

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	0.6455
2	K	A	-0.2641
3	L	A	0.0420
4	K	A	-1.8560
5	G	A	-2.0141
6	Q	A	-2.3095
7	S	A	-2.4994
8	C	A	-2.7076
9	R	A	-3.5186
10	K	A	-3.4185
11	T	A	-1.5006
12	S	A	-1.3075
13	Y	A	-0.5415
14	D	A	-1.4380
15	C	A	0.0000
16	C	A	0.6187
17	S	A	0.0077
18	G	A	-0.2579
19	S	A	-1.4212
20	C	A	0.0000
21	G	A	-2.7379
22	R	A	-3.5472
23	S	A	-2.3334
24	G	A	-2.8743
25	K	A	-3.5423
26	C	A	0.0000