Project name: 9cf02dce2fac88b

Chain sequence(s)	B: GRKKRRQRRRPPQQRTESIIARALYYDLIS
Selected Chain(s)	B
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 B 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                                          (00:00:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:30)

• Minimal score value: -5.0095
• Maximal score value: 3.0474
• Average score: -1.3389
• Total score value: -40.1683

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	G	B	-2.0505
2	R	B	-3.6918
3	K	B	-4.3744
4	K	B	-4.7460
5	R	B	-5.0095
6	R	B	-4.9213
7	Q	B	-4.5492
8	R	B	-4.5206
9	R	B	-4.4506
10	R	B	-3.8620
11	P	B	-2.6036
12	P	B	-2.5727
13	Q	B	-3.0155
14	Q	B	-3.3014
15	R	B	-2.8632
16	T	B	-1.5449
17	E	B	-2.1640
18	S	B	-0.8347
19	I	B	1.3117
20	I	B	1.2563
21	A	B	0.9390
22	R	B	0.3763
23	A	B	1.3260
24	L	B	2.7219
25	Y	B	2.9273
26	Y	B	2.2967
27	D	B	0.8394
28	L	B	2.7356
29	I	B	3.0474
30	S	B	1.1300