Project name: b83b053eca789e9

Chain sequence(s)	A: MASQQEKKELDARARQGETVVPGGTGGKSLEAQQHLAEGRSKGGQTRKEQLGGEGYHEMGRKGGLSNNDMSGGERAEQEGIDIDESKFRTKK
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: -4.3965
• Maximal score value: 0.5844
• Average score: -2.3409
• Total score value: -215.361

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	0.5844
2	A	A	-0.9181
3	S	A	-2.0537
4	Q	A	-3.2208
5	Q	A	-3.9461
6	E	A	-4.0459
7	K	A	-4.1353
8	K	A	-4.3965
9	E	A	-4.2631
10	L	A	-2.9933
11	D	A	-3.5530
12	A	A	-3.0906
13	R	A	-3.1626
14	A	A	0.0000
15	R	A	-3.9657
16	Q	A	-3.1974
17	G	A	-2.8376
18	E	A	-2.4060
19	T	A	-1.3349
20	V	A	-0.6389
21	V	A	-0.4615
22	P	A	-0.5412
23	G	A	-1.3411
24	G	A	0.0000
25	T	A	-0.8595
26	G	A	-1.3234
27	G	A	0.0000
28	K	A	-3.4621
29	S	A	-2.9619
30	L	A	-2.5360
31	E	A	-2.6274
32	A	A	-1.9695
33	Q	A	0.0000
34	Q	A	-2.5032
35	H	A	-2.5055
36	L	A	-1.8421
37	A	A	-2.4239
38	E	A	-3.2138
39	G	A	-2.9928
40	R	A	-3.3628
41	S	A	-3.0319
42	K	A	-3.6231
43	G	A	-3.1191
44	G	A	-2.9327
45	Q	A	-3.4691
46	T	A	-2.9116
47	R	A	-2.9051
48	K	A	-3.6833
49	E	A	-3.5657
50	Q	A	-3.2987
51	L	A	0.0000
52	G	A	-2.8751
53	G	A	-2.3803
54	E	A	-2.6564
55	G	A	0.0000
56	Y	A	-2.2005
57	H	A	-2.2937
58	E	A	0.0000
59	M	A	-1.6492
60	G	A	-1.7500
61	R	A	-2.0970
62	K	A	-2.2422
63	G	A	-1.6074
64	G	A	-1.4306
65	L	A	-1.3982
66	S	A	-1.8791
67	N	A	-2.0947
68	N	A	-2.4745
69	D	A	-2.7913
70	M	A	-1.8609
71	S	A	-1.7225
72	G	A	0.0000
73	G	A	-2.5470
74	E	A	-3.4757
75	R	A	-3.2454
76	A	A	0.0000
77	E	A	-4.0734
78	Q	A	-3.6573
79	E	A	-3.5709
80	G	A	-2.7570
81	I	A	-2.2017
82	D	A	-2.5209
83	I	A	-2.0596
84	D	A	-2.4545
85	E	A	-2.7074
86	S	A	-1.9979
87	K	A	-2.7662
88	F	A	-2.3818
89	R	A	-3.0740
90	T	A	-3.0281
91	K	A	-3.5243
92	K	A	-2.8712