Project name: c53ea4952f2eafe

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

• Minimal score value: -4.968
• Maximal score value: 0.6073
• Average score: -2.4059
• Total score value: -221.3407

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	0.6073
2	A	A	-0.8820
3	S	A	-1.9494
4	Q	A	-3.0753
5	Q	A	-3.7321
6	E	A	-3.8968
7	K	A	-4.1728
8	K	A	-4.6138
9	Q	A	-4.3294
10	L	A	-3.8534
11	D	A	-4.5656
12	E	A	-4.9680
13	R	A	-4.2565
14	A	A	0.0000
15	K	A	-4.7709
16	K	A	-4.1725
17	G	A	-3.3036
18	E	A	-2.9079
19	T	A	-1.4193
20	V	A	-1.0278
21	V	A	-0.4734
22	P	A	-0.5428
23	G	A	-1.1179
24	G	A	0.0000
25	T	A	-0.8232
26	G	A	-1.2477
27	G	A	0.0000
28	K	A	-3.8148
29	S	A	-3.3875
30	F	A	-2.7447
31	E	A	-2.5071
32	A	A	-1.8452
33	Q	A	0.0000
34	Q	A	-2.2213
35	H	A	-2.2722
36	L	A	-1.6628
37	A	A	-2.3880
38	E	A	-3.1748
39	G	A	-2.8781
40	R	A	-3.5159
41	S	A	-3.1543
42	R	A	-3.7116
43	G	A	-3.1309
44	G	A	-2.8772
45	Q	A	-3.3386
46	T	A	-2.8359
47	R	A	-2.4667
48	K	A	-3.0835
49	E	A	-3.0904
50	Q	A	-2.8710
51	L	A	-2.7174
52	G	A	-2.3562
53	T	A	-1.9498
54	E	A	-2.5135
55	G	A	0.0000
56	Y	A	-1.9537
57	Q	A	-2.4432
58	Q	A	-2.5551
59	M	A	-1.7708
60	G	A	-1.9166
61	R	A	-2.2246
62	K	A	-2.2270
63	G	A	-1.6081
64	G	A	-1.3965
65	L	A	-1.3462
66	S	A	-1.5917
67	T	A	-1.3566
68	G	A	-1.6314
69	D	A	-2.4510
70	K	A	-2.2207
71	P	A	-1.7384
72	G	A	0.0000
73	G	A	-2.3815
74	E	A	-3.1583
75	H	A	-2.9891
76	A	A	0.0000
77	E	A	-4.2755
78	E	A	-4.1083
79	E	A	-3.8676
80	G	A	-3.0527
81	V	A	-2.6721
82	E	A	-2.7463
83	I	A	-2.1235
84	D	A	-2.2334
85	E	A	-2.7768
86	S	A	-2.0512
87	K	A	-2.7848
88	F	A	-2.4476
89	R	A	-2.9318
90	T	A	-2.5313
91	K	A	-2.5026
92	T	A	-1.2705