Project name: 65ffe6123f4cd28

Chain sequence(s)	A: MEAGKTPPTTTTTTEKKTEQVKDNDLPTDSPYMATGTLEDHKLKAYGAEGHQEPTPGLGGGSTDAPTPSGDAPAATTTDAKAP
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.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -3.7003
• Maximal score value: 1.4124
• Average score: -1.3035
• Total score value: -108.1912

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	0.1301
2	E	A	-1.6163
3	A	A	-1.2220
4	G	A	-1.6780
5	K	A	-2.2790
6	T	A	-1.2292
7	P	A	-0.9429
8	P	A	-0.6991
9	T	A	-0.3316
10	T	A	-0.2737
11	T	A	-0.2159
12	T	A	-0.3960
13	T	A	-0.8269
14	T	A	-1.6578
15	E	A	-3.1575
16	K	A	-3.6850
17	K	A	-3.7003
18	T	A	-2.5504
19	E	A	-2.8162
20	Q	A	-2.2102
21	V	A	-0.7718
22	K	A	-2.8398
23	D	A	-3.0877
24	N	A	-2.9177
25	D	A	-2.3434
26	L	A	-0.3407
27	P	A	-0.6109
28	T	A	-0.4789
29	D	A	-1.3491
30	S	A	-0.1507
31	P	A	0.2259
32	Y	A	1.4124
33	M	A	1.0667
34	A	A	0.1940
35	T	A	-0.5541
36	G	A	-0.8163
37	T	A	-0.8495
38	L	A	-0.3136
39	E	A	-2.4238
40	D	A	-2.7402
41	H	A	-2.4052
42	K	A	-2.1970
43	L	A	-1.4806
44	K	A	-2.9629
45	A	A	-1.3811
46	Y	A	-0.0561
47	G	A	-1.3773
48	A	A	-1.2481
49	E	A	-2.9651
50	G	A	-2.5455
51	H	A	-3.0395
52	Q	A	-3.0386
53	E	A	-2.9031
54	P	A	-1.5923
55	T	A	-0.7811
56	P	A	-0.5316
57	G	A	-0.2197
58	L	A	0.7451
59	G	A	-0.3570
60	G	A	-0.6823
61	G	A	-0.9094
62	S	A	-1.1249
63	T	A	-1.2800
64	D	A	-2.0344
65	A	A	-1.1166
66	P	A	-0.8576
67	T	A	-0.7321
68	P	A	-1.1023
69	S	A	-1.1267
70	G	A	-1.5242
71	D	A	-2.1500
72	A	A	-1.1457
73	P	A	-0.7343
74	A	A	-0.2642
75	A	A	-0.0333
76	T	A	-0.3423
77	T	A	-0.6350
78	T	A	-1.1810
79	D	A	-2.2655
80	A	A	-1.6768
81	K	A	-2.1820
82	A	A	-1.0904
83	P	A	-0.6164