Project name: e113d8ecbd7568d

Chain sequence(s)	A: MSKSEEKQELPLETSPYTKYEDIEDYKKNAYGTSGHQDVKPGHGGGTTDAPTPSGDAAPSAIDSANQKAKK
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: -4.5126
• Maximal score value: 1.0415
• Average score: -1.4953
• Total score value: -106.1675

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	0.4680
2	S	A	-0.8160
3	K	A	-2.3849
4	S	A	-2.6551
5	E	A	-4.0333
6	E	A	-4.5126
7	K	A	-4.1726
8	Q	A	-3.3722
9	E	A	-2.3125
10	L	A	0.1915
11	P	A	-0.0659
12	L	A	0.5577
13	E	A	-1.2487
14	T	A	-0.6038
15	S	A	0.0085
16	P	A	-0.1773
17	Y	A	0.8462
18	T	A	-0.6608
19	K	A	-2.0749
20	Y	A	-1.7603
21	E	A	-2.6641
22	D	A	-2.2923
23	I	A	-0.1065
24	E	A	-1.9891
25	D	A	-2.2984
26	Y	A	-1.0401
27	K	A	-1.5326
28	K	A	-2.3666
29	N	A	-2.4089
30	A	A	-0.8036
31	Y	A	0.0221
32	G	A	-1.2648
33	T	A	-1.1423
34	S	A	-1.6545
35	G	A	-2.0183
36	H	A	-2.3028
37	Q	A	-2.5219
38	D	A	-2.3194
39	V	A	-0.7715
40	K	A	-2.0609
41	P	A	-1.4705
42	G	A	-1.5303
43	H	A	-1.8411
44	G	A	-1.5106
45	G	A	-1.2815
46	G	A	-1.3685
47	T	A	-1.0264
48	T	A	-1.2777
49	D	A	-1.9613
50	A	A	-1.0596
51	P	A	-0.8470
52	T	A	-0.7286
53	P	A	-0.9037
54	S	A	-1.2083
55	G	A	-1.4749
56	D	A	-2.1095
57	A	A	-1.1378
58	A	A	-0.6798
59	P	A	-0.2171
60	S	A	0.0400
61	A	A	0.2688
62	I	A	1.0415
63	D	A	-1.2793
64	S	A	-1.3399
65	A	A	-1.4090
66	N	A	-2.6677
67	Q	A	-3.0610
68	K	A	-3.2361
69	A	A	-2.5501
70	K	A	-3.1782
71	K	A	-2.8468