Project name: 2a576e60563637e

Chain sequence(s)	A: MSHHHHHHSGNIIEFVKELMEKTKDTDEIVDKIYDYLNNLVKETGLPWTKWGELYRQAMHVLFSLLDGEEPELPKNS
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                                          (00:01:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:59)

• Minimal score value: -3.701
• Maximal score value: 0.8249
• Average score: -1.5005
• Total score value: -115.5354

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	0.5307
2	S	A	-0.6341
3	H	A	-1.7575
4	H	A	-2.3753
5	H	A	-2.8180
6	H	A	-2.8224
7	H	A	-2.5407
8	H	A	-2.2849
9	S	A	-1.4054
10	G	A	-1.4796
11	N	A	-1.7386
12	I	A	0.0000
13	I	A	0.0000
14	E	A	-2.7218
15	F	A	-1.7508
16	V	A	0.0000
17	K	A	-2.8540
18	E	A	-3.5133
19	L	A	0.0000
20	M	A	0.0000
21	E	A	-3.7010
22	K	A	-3.6255
23	T	A	-3.1143
24	K	A	-3.4679
25	D	A	-3.5778
26	T	A	-2.4778
27	D	A	-3.4918
28	E	A	-3.4259
29	I	A	0.0000
30	V	A	-1.6938
31	D	A	-2.9057
32	K	A	-2.4427
33	I	A	0.0000
34	Y	A	-0.8633
35	D	A	-2.1412
36	Y	A	-0.9771
37	L	A	0.0000
38	N	A	-1.3576
39	N	A	-1.9952
40	L	A	0.0000
41	V	A	-1.4911
42	K	A	-2.8022
43	E	A	-2.8496
44	T	A	-1.8975
45	G	A	-1.2542
46	L	A	-0.6676
47	P	A	0.0786
48	W	A	0.5744
49	T	A	-0.3639
50	K	A	-1.2188
51	W	A	-0.4796
52	G	A	-1.1801
53	E	A	-2.4786
54	L	A	-1.4876
55	Y	A	-1.1354
56	R	A	-2.6784
57	Q	A	-1.8052
58	A	A	0.0000
59	M	A	-0.3773
60	H	A	-0.9245
61	V	A	0.0000
62	L	A	0.0000
63	F	A	0.8249
64	S	A	0.0000
65	L	A	-0.7085
66	L	A	-0.1761
67	D	A	-1.8060
68	G	A	-1.9444
69	E	A	-3.1998
70	E	A	-2.9477
71	P	A	0.0000
72	E	A	-2.2651
73	L	A	-0.3862
74	P	A	-1.2173
75	K	A	-2.3780
76	N	A	-2.0659
77	S	A	-1.4024