Project name: b7265ab30dd6358

Chain sequence(s)	B: SAELDKMIEDYEKAAKIAEEWAKKYPELKEHLEKFKEFMEKKKKELEEKK
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                                          (00:02:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:58)

• Minimal score value: -5.3626
• Maximal score value: 0.0
• Average score: -2.9114
• Total score value: -145.5707

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	S	B	-1.7106
2	A	B	-1.9717
3	E	B	-3.0632
4	L	B	-3.1432
5	D	B	-3.8175
6	K	B	-3.8730
7	M	B	-2.8885
8	I	B	-3.7994
9	E	B	-4.0388
10	D	B	-3.9159
11	Y	B	-2.8740
12	E	B	-3.5260
13	K	B	-3.0585
14	A	B	-1.8397
15	A	B	0.0000
16	K	B	-2.3369
17	I	B	-0.0960
18	A	B	0.0000
19	E	B	-2.3763
20	E	B	-1.9458
21	W	B	-1.2808
22	A	B	0.0000
23	K	B	-2.8794
24	K	B	-2.6856
25	Y	B	-1.6434
26	P	B	-2.1873
27	E	B	-2.5603
28	L	B	-2.3084
29	K	B	-3.7126
30	E	B	-3.7557
31	H	B	-3.2736
32	L	B	-2.7591
33	E	B	-3.7106
34	K	B	-3.4017
35	F	B	-1.8158
36	K	B	-2.8817
37	E	B	-3.0061
38	F	B	-1.2172
39	M	B	-2.5291
40	E	B	-3.1102
41	K	B	-3.3677
42	K	B	-3.1476
43	K	B	-4.3815
44	K	B	-4.8587
45	E	B	-4.9250
46	L	B	-4.2493
47	E	B	-5.3626
48	E	B	-5.1213
49	K	B	-4.5633
50	K	B	-4.6001