Project name: 85407a404e056b2

Chain sequence(s)	A: SLSEKVDEAYDLSFTDIEKAIELVEEILDEALETGRPLSEWELEMLESTIMILKFMSKDPELLKKIEELEKKFEEVKKRQAAR
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                                          (00:06:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:01)

• Minimal score value: -4.7893
• Maximal score value: 1.9266
• Average score: -1.5754
• Total score value: -130.761

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	-1.0299
2	L	A	0.0000
3	S	A	-1.5768
4	E	A	-2.9993
5	K	A	-2.9115
6	V	A	0.0000
7	D	A	-2.7992
8	E	A	-3.3012
9	A	A	0.0000
10	Y	A	-1.1952
11	D	A	-2.1229
12	L	A	-1.3476
13	S	A	0.0000
14	F	A	1.0558
15	T	A	-0.2455
16	D	A	-1.4607
17	I	A	-1.4260
18	E	A	-2.9264
19	K	A	-2.7504
20	A	A	0.0000
21	I	A	0.0000
22	E	A	-3.4205
23	L	A	0.0000
24	V	A	0.0000
25	E	A	-3.3689
26	E	A	-3.5423
27	I	A	0.0000
28	L	A	0.0000
29	D	A	-3.3306
30	E	A	-3.2141
31	A	A	0.0000
32	L	A	-2.1341
33	E	A	-2.6390
34	T	A	-1.7148
35	G	A	-1.3907
36	R	A	-1.3493
37	P	A	-1.1562
38	L	A	0.0000
39	S	A	-0.9716
40	E	A	-1.7577
41	W	A	-0.5028
42	E	A	0.0000
43	L	A	-1.4057
44	E	A	-2.1981
45	M	A	-1.1242
46	L	A	0.0000
47	E	A	-1.7822
48	S	A	-0.8255
49	T	A	0.0000
50	I	A	0.0000
51	M	A	0.3146
52	I	A	1.2765
53	L	A	0.0000
54	K	A	0.1604
55	F	A	1.9266
56	M	A	1.3046
57	S	A	-0.7115
58	K	A	-1.8572
59	D	A	-2.2712
60	P	A	-2.2954
61	E	A	-3.1487
62	L	A	-2.8060
63	L	A	-2.2652
64	K	A	-3.7577
65	K	A	-3.9414
66	I	A	0.0000
67	E	A	-3.9984
68	E	A	-4.4184
69	L	A	0.0000
70	E	A	-4.1329
71	K	A	-4.6038
72	K	A	-4.0941
73	F	A	0.0000
74	E	A	-4.7893
75	E	A	-4.3737
76	V	A	0.0000
77	K	A	-3.2435
78	K	A	-3.7147
79	R	A	-2.6747
80	Q	A	-2.3345
81	A	A	-1.7173
82	A	A	-1.5444
83	R	A	-2.1846