Project name: DK17

Chain sequence(s)	D: DRQIKIWFQNRRMKWKK
Selected Chain(s)	D
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 D 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                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:49)

• Minimal score value: -2.9398
• Maximal score value: 0.6333
• Average score: -1.6756
• Total score value: -28.4844

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	D	D	-2.8782
2	R	D	-2.8903
3	Q	D	-1.7875
4	I	D	-0.1317
5	K	D	-1.6258
6	I	D	-0.5984
7	W	D	0.6333
8	F	D	0.3290
9	Q	D	-1.3556
10	N	D	-1.3259
11	R	D	-1.7192
12	R	D	-2.6171
13	M	D	-2.3224
14	K	D	-2.9398
15	W	D	-1.6588
16	K	D	-2.8151
17	K	D	-2.7809