Project name: 4f068dfe02f975f

Chain sequence(s)	A: MSHHHHHHSGMEITEEVLEEERKRLTPELEKLVAEQGPEVQPRVDIFMQSWDRLINADWSEFSEEERWIVLKAEKRMILQSLRNS
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                                          (00:02:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:43)

• Minimal score value: -4.3493
• Maximal score value: 0.9631
• Average score: -1.6963
• Total score value: -144.1853

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	0.5441
2	S	A	-0.6426
3	H	A	-1.7651
4	H	A	-2.3845
5	H	A	-2.7355
6	H	A	-2.6389
7	H	A	-2.3734
8	H	A	-1.7626
9	S	A	-1.4866
10	G	A	-1.6466
11	M	A	-0.9069
12	E	A	-2.4588
13	I	A	0.0000
14	T	A	-2.2561
15	E	A	-3.5483
16	E	A	-3.7147
17	V	A	-2.7104
18	L	A	0.0000
19	E	A	-4.1156
20	E	A	-4.3493
21	E	A	0.0000
22	R	A	-3.6840
23	K	A	-4.1029
24	R	A	-3.8331
25	L	A	0.0000
26	T	A	-2.5512
27	P	A	-2.6783
28	E	A	-2.8916
29	L	A	0.0000
30	E	A	-3.2839
31	K	A	-3.4844
32	L	A	0.0000
33	V	A	-2.4034
34	A	A	-2.1169
35	E	A	-2.8253
36	Q	A	-2.1371
37	G	A	-1.7883
38	P	A	-1.5695
39	E	A	-2.4218
40	V	A	0.0000
41	Q	A	-2.1364
42	P	A	-1.6833
43	R	A	-1.9220
44	V	A	0.0000
45	D	A	-1.6000
46	I	A	0.2560
47	F	A	-0.4167
48	M	A	-1.0498
49	Q	A	-1.4978
50	S	A	-1.0798
51	W	A	0.0000
52	D	A	-2.5565
53	R	A	-3.1495
54	L	A	0.0000
55	I	A	-2.7272
56	N	A	-2.8198
57	A	A	-2.2959
58	D	A	-2.4572
59	W	A	-1.5224
60	S	A	-1.3802
61	E	A	-1.9742
62	F	A	-0.9985
63	S	A	-1.4734
64	E	A	-2.1430
65	E	A	-2.3084
66	E	A	-1.4260
67	R	A	-1.0875
68	W	A	-0.4291
69	I	A	0.9631
70	V	A	0.3777
71	L	A	0.0000
72	K	A	-0.7382
73	A	A	-0.4440
74	E	A	-0.7947
75	K	A	-1.6509
76	R	A	-2.3015
77	M	A	-1.2418
78	I	A	0.0000
79	L	A	-1.7558
80	Q	A	-2.5473
81	S	A	-1.9636
82	L	A	0.0000
83	R	A	-3.0753
84	N	A	-2.5836
85	S	A	-1.8273