Project name: DK17-RF8

Chain sequence(s)	D: DRQIKIWFQNRRMKWKKRWSLMRPF
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                                          (00:01:26)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:26)

• Minimal score value: -3.0768
• Maximal score value: 1.5066
• Average score: -1.3373
• Total score value: -33.4331

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	-2.9142
2	R	D	-3.0257
3	Q	D	-2.0393
4	I	D	-0.5738
5	K	D	-1.9707
6	I	D	-0.9150
7	W	D	-0.1865
8	F	D	-0.5810
9	Q	D	-1.7139
10	N	D	-1.6592
11	R	D	-2.4196
12	R	D	-3.0768
13	M	D	-2.4253
14	K	D	-2.6812
15	W	D	-2.0838
16	K	D	-2.6510
17	K	D	-2.6084
18	R	D	-2.0576
19	W	D	-0.2843
20	S	D	-0.4281
21	L	D	0.7010
22	M	D	0.5695
23	R	D	-0.4489
24	P	D	0.5341
25	F	D	1.5066