Project name: f970ffc826b67d3

Chain sequence(s)	A: MSHHHHHHSGKKQMQKLLEEKWPELREILKEMYKVDWYLYSDIDWKIFSGDFDFLERVREIAKRTKHEPVKSVLEKFVQFIDEVEAKVKNS
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                                          (00:03:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:04)

• Minimal score value: -3.702
• Maximal score value: 1.6743
• Average score: -1.6275
• Total score value: -148.1035

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	0.5165
2	S	A	-0.6487
3	H	A	-1.6723
4	H	A	-2.3684
5	H	A	-2.9200
6	H	A	-2.7935
7	H	A	-2.5944
8	H	A	-2.5242
9	S	A	-1.7790
10	G	A	-2.2197
11	K	A	-2.5123
12	K	A	-2.7620
13	Q	A	-2.7676
14	M	A	0.0000
15	Q	A	-2.3444
16	K	A	-3.4423
17	L	A	-2.7208
18	L	A	0.0000
19	E	A	-3.5669
20	E	A	-3.7020
21	K	A	-3.1282
22	W	A	-2.8198
23	P	A	-2.5235
24	E	A	-3.3340
25	L	A	0.0000
26	R	A	-2.7619
27	E	A	-3.3198
28	I	A	0.0000
29	L	A	0.0000
30	K	A	-2.5026
31	E	A	-2.4061
32	M	A	0.0000
33	Y	A	-0.8433
34	K	A	-1.6943
35	V	A	-0.6783
36	D	A	0.1995
37	W	A	0.9933
38	Y	A	1.6743
39	L	A	1.1889
40	Y	A	0.0000
41	S	A	0.0922
42	D	A	-0.2681
43	I	A	0.0000
44	D	A	-0.1908
45	W	A	0.6172
46	K	A	-0.2829
47	I	A	0.0000
48	F	A	0.3429
49	S	A	0.2624
50	G	A	-0.6147
51	D	A	-1.0996
52	F	A	-1.6128
53	D	A	-2.9739
54	F	A	0.0000
55	L	A	0.0000
56	E	A	-3.5739
57	R	A	-3.4033
58	V	A	0.0000
59	R	A	-3.0952
60	E	A	-3.2562
61	I	A	-2.5433
62	A	A	0.0000
63	K	A	-3.5361
64	R	A	-3.5004
65	T	A	-3.1678
66	K	A	-3.3539
67	H	A	-2.9001
68	E	A	-2.5372
69	P	A	-1.8469
70	V	A	-1.6596
71	K	A	-2.8604
72	S	A	-2.0586
73	V	A	0.0000
74	L	A	0.0000
75	E	A	-2.8265
76	K	A	-2.6339
77	F	A	0.0000
78	V	A	-2.4943
79	Q	A	-2.8978
80	F	A	0.0000
81	I	A	0.0000
82	D	A	-2.7935
83	E	A	-3.0348
84	V	A	0.0000
85	E	A	-2.7226
86	A	A	-2.5730
87	K	A	-2.7274
88	V	A	-2.6701
89	K	A	-2.8089
90	N	A	-2.5435
91	S	A	-1.5784