Project name: 1280516fde39bd8

Chain sequence(s)	A: SLKEKVDEAYDLSFTDIEKAIELVDEILEEYLETERELTEWELEMLESTIMILKFMSTDPEMQKKIEELEEKFEEVKKLQEER
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:36)

• Minimal score value: -4.5992
• Maximal score value: 1.8721
• Average score: -1.8549
• Total score value: -153.9576

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	A	-1.4682
2	L	A	0.0000
3	K	A	-3.0647
4	E	A	-3.7913
5	K	A	-3.4899
6	V	A	0.0000
7	D	A	-3.4414
8	E	A	-3.7315
9	A	A	0.0000
10	Y	A	-1.3837
11	D	A	-2.2224
12	L	A	-1.4246
13	S	A	0.0000
14	F	A	0.9500
15	T	A	-0.2278
16	D	A	-1.3578
17	I	A	-1.2297
18	E	A	-3.1786
19	K	A	-2.8632
20	A	A	0.0000
21	I	A	0.0000
22	E	A	-3.5057
23	L	A	0.0000
24	V	A	0.0000
25	D	A	-3.3338
26	E	A	-3.4629
27	I	A	0.0000
28	L	A	0.0000
29	E	A	-3.0680
30	E	A	-3.1102
31	Y	A	0.0000
32	L	A	-2.3675
33	E	A	-2.8372
34	T	A	-2.6361
35	E	A	-3.2723
36	R	A	-3.0282
37	E	A	-3.4059
38	L	A	0.0000
39	T	A	-1.6892
40	E	A	-2.1862
41	W	A	-1.2594
42	E	A	0.0000
43	L	A	-1.6639
44	E	A	-2.3811
45	M	A	-1.4310
46	L	A	0.0000
47	E	A	-1.6033
48	S	A	-0.8716
49	T	A	0.0000
50	I	A	0.0000
51	M	A	0.4508
52	I	A	0.0000
53	L	A	0.0000
54	K	A	-0.0836
55	F	A	1.8721
56	M	A	1.3929
57	S	A	0.0000
58	T	A	-0.7367
59	D	A	-2.2326
60	P	A	-2.4513
61	E	A	-3.3581
62	M	A	-3.2327
63	Q	A	-3.1891
64	K	A	-4.2132
65	K	A	-4.2021
66	I	A	0.0000
67	E	A	-4.4421
68	E	A	-4.5992
69	L	A	0.0000
70	E	A	-3.9827
71	E	A	-4.4407
72	K	A	-3.8215
73	F	A	0.0000
74	E	A	-4.3355
75	E	A	-3.8865
76	V	A	0.0000
77	K	A	-3.3149
78	K	A	-4.0705
79	L	A	-3.0651
80	Q	A	-3.7785
81	E	A	-3.9178
82	E	A	-3.7889
83	R	A	-3.4918