Project name: 20_rank

Chain sequence(s)	B: EPSPWEKMFSTMSPERVEHHVYNLRTDARFIEREHGAPEKAAEMEKEIEEVVLPSAEKHLAK
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                                          (00:01:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:29)

• Minimal score value: -4.5367
• Maximal score value: 0.0
• Average score: -2.1622
• Total score value: -134.0579

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	E	B	-2.1364
2	P	B	-1.5495
3	S	B	-0.9881
4	P	B	-0.9522
5	W	B	-0.4097
6	E	B	-1.7214
7	K	B	-1.8220
8	M	B	-0.5477
9	F	B	0.0000
10	S	B	-0.9456
11	T	B	-0.6346
12	M	B	-1.3078
13	S	B	-1.8023
14	P	B	-2.7416
15	E	B	-3.7211
16	R	B	-3.7404
17	V	B	0.0000
18	E	B	-3.5739
19	H	B	-3.0809
20	H	B	-2.1793
21	V	B	0.0000
22	Y	B	-0.7734
23	N	B	-1.9615
24	L	B	-1.4464
25	R	B	-1.7715
26	T	B	-1.5558
27	D	B	-2.3792
28	A	B	0.0000
29	R	B	-3.6755
30	F	B	-2.0642
31	I	B	-3.0569
32	E	B	-4.3820
33	R	B	-4.1118
34	E	B	-3.6242
35	H	B	-3.1859
36	G	B	-3.0709
37	A	B	-2.9211
38	P	B	-3.0699
39	E	B	-3.5978
40	K	B	-4.1495
41	A	B	0.0000
42	A	B	-3.5448
43	E	B	-4.0288
44	M	B	-3.8009
45	E	B	-4.5367
46	K	B	-4.5254
47	E	B	-3.4366
48	I	B	0.0000
49	E	B	-3.6479
50	E	B	-3.2700
51	V	B	-1.4501
52	V	B	0.0000
53	L	B	-1.3794
54	P	B	-1.5533
55	S	B	0.0000
56	A	B	0.0000
57	E	B	-3.0134
58	K	B	-3.0187
59	H	B	-2.2441
60	L	B	-1.9279
61	A	B	-1.7035
62	K	B	-2.3244