Project name: ab74bda91647a79

Chain sequence(s)	A: MQRVKNMTETLKFVYILILFIFIFLVLMVCDSAFIQLSKPCISDKECSIVKNYRARCRKGYCVRRRIR
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: -3.713
• Maximal score value: 7.3372
• Average score: 0.8427
• Total score value: 57.3018

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	-0.0662
2	Q	A	-1.7536
3	R	A	-1.9358
4	V	A	-0.2888
5	K	A	-2.3242
6	N	A	-2.3469
7	M	A	-0.2884
8	T	A	-0.6518
9	E	A	-1.3618
10	T	A	0.4840
11	L	A	1.9970
12	K	A	0.9832
13	F	A	3.4732
14	V	A	4.2075
15	Y	A	4.6818
16	I	A	5.7523
17	L	A	5.8415
18	I	A	6.1527
19	L	A	6.6777
20	F	A	6.9446
21	I	A	7.3136
22	F	A	7.3372
23	I	A	7.0846
24	F	A	7.0275
25	L	A	6.6127
26	V	A	5.9912
27	L	A	5.1631
28	M	A	4.3535
29	V	A	4.3939
30	C	A	2.9997
31	D	A	1.4475
32	S	A	1.7914
33	A	A	1.9761
34	F	A	2.7618
35	I	A	2.3677
36	Q	A	0.4713
37	L	A	1.8446
38	S	A	0.8719
39	K	A	-0.8086
40	P	A	-0.5254
41	C	A	0.0000
42	I	A	0.7346
43	S	A	-1.1121
44	D	A	-2.8286
45	K	A	-2.5683
46	E	A	-1.9584
47	C	A	0.0000
48	S	A	-0.7893
49	I	A	0.3098
50	V	A	-0.5767
51	K	A	-1.7110
52	N	A	-2.4278
53	Y	A	-2.3749
54	R	A	-2.9156
55	A	A	-2.6341
56	R	A	-3.2755
57	C	A	-2.3491
58	R	A	-2.5039
59	K	A	-2.2095
60	G	A	-1.1644
61	Y	A	-0.6671
62	C	A	-1.7851
63	V	A	-1.6364
64	R	A	-2.7759
65	R	A	-3.7130
66	R	A	-3.3645
67	I	A	-1.3114
68	R	A	-1.7433