Project name: 5c226d2fe473259

Chain sequence(s)	A: MSHHHHHHSGMKLSEWEIVLERRDLETTGKVVKRFEEMPDKFPPEERERFERQKKEYEKRKEEFEKLTSNS
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                                          (00:04:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:08)

• Minimal score value: -5.4898
• Maximal score value: 0.5391
• Average score: -2.6069
• Total score value: -185.0906

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	0.5391
2	S	A	-0.6353
3	H	A	-1.7533
4	H	A	-2.3644
5	H	A	-2.8037
6	H	A	-2.8050
7	H	A	-2.6117
8	H	A	-2.0672
9	S	A	-1.4432
10	G	A	-0.9324
11	M	A	-0.0889
12	K	A	-1.5988
13	L	A	-0.5643
14	S	A	-0.7292
15	E	A	-1.2288
16	W	A	0.4113
17	E	A	-0.6313
18	I	A	-0.5868
19	V	A	-0.1490
20	L	A	-0.5121
21	E	A	-1.9632
22	R	A	-3.3929
23	R	A	-3.4985
24	D	A	-3.1157
25	L	A	0.0000
26	E	A	-3.7171
27	T	A	-2.5869
28	T	A	-2.4851
29	G	A	-2.6354
30	K	A	-2.9073
31	V	A	-1.3556
32	V	A	0.0000
33	K	A	-3.5055
34	R	A	-3.4220
35	F	A	0.0000
36	E	A	-3.9458
37	E	A	-3.6191
38	M	A	-2.6008
39	P	A	-2.8631
40	D	A	-3.0607
41	K	A	-2.7871
42	F	A	-2.1448
43	P	A	-2.1502
44	P	A	-2.6807
45	E	A	-3.4255
46	E	A	-3.6784
47	R	A	-4.2145
48	E	A	-4.4629
49	R	A	-4.7501
50	F	A	-3.8204
51	E	A	-4.6170
52	R	A	-5.1493
53	Q	A	-4.1091
54	K	A	-4.4175
55	K	A	-5.2645
56	E	A	-5.1568
57	Y	A	0.0000
58	E	A	-5.2761
59	K	A	-5.4898
60	R	A	-4.9587
61	K	A	-5.3694
62	E	A	-5.3597
63	E	A	-4.5689
64	F	A	0.0000
65	E	A	-4.4936
66	K	A	-3.8431
67	L	A	-2.1056
68	T	A	-2.1086
69	S	A	-1.9491
70	N	A	-2.1474
71	S	A	-1.3621