Project name: e836c0d0131f8fd

Chain sequence(s)	A: MEDQKKPPTTEQEVKEVKNDDLESIKTPYLDYDNLEDYKMKGYGAQGHQEPKLGMGGGATDAPTPSGGLGRGGGAASTDLSSTDAINRQGVP
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
pH calculations	No
alphaCutter usage	No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -3.9091
• Maximal score value: 0.9583
• Average score: -1.2558
• Total score value: -115.5362

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan4D score	mutation
1	M	A	-0.4182
2	E	A	-2.6894
3	D	A	-3.6601
4	Q	A	-3.7369
5	K	A	-3.9091
6	K	A	-3.2831
7	P	A	-1.7986
8	P	A	-1.3190
9	T	A	-1.2833
10	T	A	-1.7313
11	E	A	-2.7702
12	Q	A	-2.7432
13	E	A	-2.9111
14	V	A	-0.9127
15	K	A	-2.1306
16	E	A	-2.0559
17	V	A	-0.6149
18	K	A	-2.6099
19	N	A	-2.3780
20	D	A	-3.2956
21	D	A	-2.7456
22	L	A	-1.1115
23	E	A	-1.9667
24	S	A	-1.4127
25	I	A	0.5663
26	K	A	-1.3408
27	T	A	-0.0800
28	P	A	-0.0062
29	Y	A	0.9583
30	L	A	0.1893
31	D	A	-1.6079
32	Y	A	-1.1059
33	D	A	-2.2567
34	N	A	-1.9493
35	L	A	0.4668
36	E	A	-1.7146
37	D	A	-1.4422
38	Y	A	-0.1907
39	K	A	-0.5861
40	M	A	-0.7646
41	K	A	-1.9848
42	G	A	-0.8068
43	Y	A	0.4702
44	G	A	-0.7302
45	A	A	-0.9337
46	Q	A	-2.0014
47	G	A	-2.2446
48	H	A	-2.7030
49	Q	A	-3.1538
50	E	A	-3.0768
51	P	A	-1.8976
52	K	A	-1.6377
53	L	A	0.3676
54	G	A	0.1035
55	M	A	0.3525
56	G	A	-0.3907
57	G	A	-0.7881
58	G	A	-0.8179
59	A	A	-0.8316
60	T	A	-1.1625
61	D	A	-1.9136
62	A	A	-1.0002
63	P	A	-0.7947
64	T	A	-0.7827
65	P	A	-0.6443
66	S	A	-0.5991
67	G	A	-0.7037
68	G	A	-0.8253
69	L	A	0.2884
70	G	A	-1.0894
71	R	A	-2.1784
72	G	A	-1.6175
73	G	A	-1.2913
74	G	A	-1.0134
75	A	A	-0.4023
76	A	A	-0.3822
77	S	A	-0.6172
78	T	A	-0.6084
79	D	A	-1.2319
80	L	A	0.2713
81	S	A	-0.5832
82	S	A	-0.2905
83	T	A	-0.5412
84	D	A	-1.7369
85	A	A	-0.9771
86	I	A	0.1854
87	N	A	-1.9658
88	R	A	-2.6505
89	Q	A	-1.9621
90	G	A	-0.9055
91	V	A	0.9165
92	P	A	0.3299