Project name: 27bc7de8c5dbe0

Chain sequence(s)	A: MADNKQSFQAGQAAGRAEEKGNVLMDKVKDAATAAGASAQTAGQKITEAAGGAVNLVKEKTGMNK
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: -4.1581
• Maximal score value: 1.1142
• Average score: -1.4899
• Total score value: -96.8422

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	0.0130
2	A	A	-1.4534
3	D	A	-2.7750
4	N	A	-2.7769
5	K	A	-3.0043
6	Q	A	-3.0705
7	S	A	-1.9460
8	F	A	-0.7515
9	Q	A	-1.9210
10	A	A	-1.5107
11	G	A	-1.4430
12	Q	A	-2.2053
13	A	A	-1.8923
14	A	A	-2.1150
15	G	A	-3.1988
16	R	A	-4.1581
17	A	A	-3.2131
18	E	A	-3.9882
19	E	A	-3.9298
20	K	A	-3.1736
21	G	A	-2.2451
22	N	A	-2.0793
23	V	A	-0.1879
24	L	A	0.4044
25	M	A	-0.1297
26	D	A	-2.0963
27	K	A	-1.7452
28	V	A	-0.0580
29	K	A	-2.1466
30	D	A	-2.8110
31	A	A	-1.3330
32	A	A	-1.1245
33	T	A	-1.1455
34	A	A	-0.7629
35	A	A	-0.7615
36	G	A	-0.8819
37	A	A	-0.6491
38	S	A	-0.8042
39	A	A	-1.1552
40	Q	A	-1.7614
41	T	A	-1.3667
42	A	A	-1.1689
43	G	A	-1.3657
44	Q	A	-2.3891
45	K	A	-2.2109
46	I	A	-0.0718
47	T	A	-0.9716
48	E	A	-2.1823
49	A	A	-0.9113
50	A	A	0.0440
51	G	A	-0.5427
52	G	A	-0.1773
53	A	A	0.8080
54	V	A	1.0716
55	N	A	-0.4399
56	L	A	0.7387
57	V	A	1.1142
58	K	A	-1.1331
59	E	A	-2.4521
60	K	A	-1.9210
61	T	A	-1.1747
62	G	A	-1.7525
63	M	A	-1.1897
64	N	A	-2.8051
65	K	A	-2.4049