Project name: query_structure

Chain sequence(s)	A: IKCNCKRAVIKPAICRKICGKN
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                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -2.6563
• Maximal score value: 0.9417
• Average score: -1.0659
• Total score value: -23.4502

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	I	A	0.9417
2	K	A	-0.9058
3	C	A	-0.7003
4	N	A	-1.6209
5	C	A	-1.2610
6	K	A	-2.2311
7	R	A	-2.4072
8	A	A	-0.5969
9	V	A	0.8429
10	I	A	0.0705
11	K	A	-1.4385
12	P	A	-1.5289
13	A	A	-0.7926
14	I	A	0.0231
15	C	A	0.0000
16	R	A	-2.3196
17	K	A	-1.9610
18	I	A	0.1453
19	C	A	-0.8781
20	G	A	-2.1081
21	K	A	-2.6563
22	N	A	-2.0674