Project name: cce1a2499ce7816

Chain sequence(s)	A: MIPIKRSSRRWKKKGRMRWKWYKKRLRRLKRERKRARS
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                                          (00:03:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:22)

• Minimal score value: -6.5136
• Maximal score value: 2.2874
• Average score: -3.2551
• Total score value: -123.6942

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	M	A	2.0261
2	I	A	2.2874
3	P	A	0.5018
4	I	A	-0.7150
5	K	A	-2.6615
6	R	A	-3.1892
7	S	A	-2.3331
8	S	A	-3.0236
9	R	A	-3.9444
10	R	A	-4.2364
11	W	A	-3.3718
12	K	A	-4.2637
13	K	A	-4.1368
14	K	A	-4.0783
15	G	A	-3.5184
16	R	A	-3.4498
17	M	A	-2.3525
18	R	A	-2.6979
19	W	A	-1.6802
20	K	A	-2.2807
21	W	A	-1.0630
22	Y	A	-1.1727
23	K	A	-2.6384
24	K	A	-3.5537
25	R	A	-3.7820
26	L	A	-3.4879
27	R	A	-5.1086
28	R	A	-5.6760
29	L	A	-4.7930
30	K	A	-5.8263
31	R	A	-6.5136
32	E	A	-6.0554
33	R	A	-5.8610
34	K	A	-5.8248
35	R	A	-5.1269
36	A	A	-3.8275
37	R	A	-3.9462
38	S	A	-2.3192