Project name: 55707cc03b40d74

Chain sequence(s)	A: MSHHHHHHSGGSTRISEEEHEKLDELNREFYEITGGFMHVRSNDDGTLDVKIYIPKDGKYEVVEELKNVSFEELIKKLKELIEKLKKNS
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]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:03)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:21)

• Minimal score value: -5.0293
• Maximal score value: 0.5637
• Average score: -2.0362
• Total score value: -181.2197

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	0.5637
2	S	A	-0.6062
3	H	A	-1.7243
4	H	A	-2.3309
5	H	A	-2.7082
6	H	A	-2.7457
7	H	A	-2.5318
8	H	A	-2.2565
9	S	A	-1.5581
10	G	A	-1.5640
11	G	A	-1.8735
12	S	A	-2.1234
13	T	A	-1.9762
14	R	A	-2.9832
15	I	A	-2.1594
16	S	A	-2.6708
17	E	A	-3.9918
18	E	A	-4.2076
19	E	A	-3.9218
20	H	A	-4.3509
21	E	A	-5.0293
22	K	A	-4.4381
23	L	A	0.0000
24	D	A	-4.4180
25	E	A	-4.4241
26	L	A	0.0000
27	N	A	-2.7514
28	R	A	-3.5165
29	E	A	-2.9906
30	F	A	0.0000
31	Y	A	-0.4656
32	E	A	-1.8076
33	I	A	-0.9294
34	T	A	-0.3300
35	G	A	-0.1576
36	G	A	0.0000
37	F	A	0.4779
38	M	A	0.0000
39	H	A	-1.5079
40	V	A	-1.0552
41	R	A	-2.7437
42	S	A	-2.2234
43	N	A	-2.7680
44	D	A	-3.3587
45	D	A	-3.2044
46	G	A	-2.5378
47	T	A	-2.1927
48	L	A	0.0000
49	D	A	-2.4188
50	V	A	0.0000
51	K	A	-2.0330
52	I	A	0.0000
53	Y	A	0.0494
54	I	A	-0.0467
55	P	A	-1.2911
56	K	A	-2.9235
57	D	A	-3.2358
58	G	A	-2.5616
59	K	A	-2.8409
60	Y	A	-0.8459
61	E	A	-1.1758
62	V	A	0.3561
63	V	A	0.1225
64	E	A	-1.3246
65	E	A	-2.6100
66	L	A	-2.3318
67	K	A	-2.8409
68	N	A	-2.1494
69	V	A	0.0000
70	S	A	-1.6160
71	F	A	-1.6470
72	E	A	-2.7889
73	E	A	-2.8527
74	L	A	0.0000
75	I	A	-2.5988
76	K	A	-3.7236
77	K	A	-3.2573
78	L	A	0.0000
79	K	A	-3.8291
80	E	A	-4.1993
81	L	A	0.0000
82	I	A	0.0000
83	E	A	-4.3823
84	K	A	-4.1711
85	L	A	-3.0455
86	K	A	-3.8451
87	K	A	-3.9695
88	N	A	-3.1833
89	S	A	-1.9157