Project name: 45fe35c70897c10

Chain sequence(s)	A: MSHHHHHHSGSLVEEAKKEAKKMEEAAKKKDWDKVLDLAGKVDKLFDEFDKLKAAGKATEEEVKGMEEPMKIWDEVMEKFLEHEREERKKREENS
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]                                                (00:00:06)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:06)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:06)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:06)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:06)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:06:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:10)

• Minimal score value: -6.7872
• Maximal score value: 0.4584
• Average score: -2.7534
• Total score value: -261.572

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	0.4584
2	S	A	-0.6709
3	H	A	-1.7713
4	H	A	-2.3440
5	H	A	-2.6103
6	H	A	-2.6650
7	H	A	-2.5950
8	H	A	-2.2018
9	S	A	0.0000
10	G	A	-2.1073
11	S	A	-1.7866
12	L	A	0.0000
13	V	A	0.0000
14	E	A	-3.0669
15	E	A	-2.9195
16	A	A	0.0000
17	K	A	-3.2450
18	K	A	-3.4618
19	E	A	0.0000
20	A	A	0.0000
21	K	A	-3.6112
22	K	A	-3.5140
23	M	A	0.0000
24	E	A	-3.6851
25	E	A	-4.5366
26	A	A	0.0000
27	A	A	0.0000
28	K	A	-4.4213
29	K	A	-4.4981
30	K	A	-4.6430
31	D	A	-4.2314
32	W	A	-3.0354
33	D	A	-3.0897
34	K	A	-3.5067
35	V	A	0.0000
36	L	A	-1.2701
37	D	A	-2.4938
38	L	A	0.0000
39	A	A	0.0000
40	G	A	-1.7480
41	K	A	-2.1666
42	V	A	0.0000
43	D	A	-2.7137
44	K	A	-3.6008
45	L	A	-2.7775
46	F	A	-2.6454
47	D	A	-4.2615
48	E	A	-3.9285
49	F	A	0.0000
50	D	A	-4.2130
51	K	A	-3.8786
52	L	A	-3.0481
53	K	A	-3.4162
54	A	A	-1.9470
55	A	A	-1.6735
56	G	A	-1.9980
57	K	A	-2.9247
58	A	A	-2.7356
59	T	A	-2.4819
60	E	A	-3.2456
61	E	A	-3.3200
62	E	A	-2.9338
63	V	A	-2.7333
64	K	A	-3.5108
65	G	A	-2.8309
66	M	A	0.0000
67	E	A	-3.1040
68	E	A	-3.3465
69	P	A	0.0000
70	M	A	-2.2072
71	K	A	-3.3494
72	I	A	-2.8351
73	W	A	-2.6648
74	D	A	-3.7362
75	E	A	-3.9486
76	V	A	0.0000
77	M	A	-2.4689
78	E	A	-3.8220
79	K	A	-3.9477
80	F	A	-2.5803
81	L	A	-2.3879
82	E	A	-3.8190
83	H	A	-3.6025
84	E	A	-3.9829
85	R	A	-4.7781
86	E	A	-5.6455
87	E	A	-6.3565
88	R	A	-6.4948
89	K	A	-6.7215
90	K	A	-6.7872
91	R	A	-6.5413
92	E	A	-5.8507
93	E	A	-5.3839
94	N	A	-4.1026
95	S	A	-2.8505