Project name: b706f262e31ff3e

Chain sequence(s)	A: MGMSKSIKVILSLALVVFLALAGTKVEASVRYITYPAIDRGDHAVHCDKAHPNTCKKKQANPYRRGCGVLEGCHRETGPKPT
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: -4.863
• Maximal score value: 5.4074
• Average score: -0.1619
• Total score value: -13.2756

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	1.0698
2	G	A	0.2965
3	M	A	0.5033
4	S	A	-0.2578
5	K	A	-1.1347
6	S	A	0.4807
7	I	A	1.8768
8	K	A	0.6463
9	V	A	2.7763
10	I	A	4.0484
11	L	A	3.8299
12	S	A	3.5569
13	L	A	4.8426
14	A	A	4.3055
15	L	A	5.3712
16	V	A	5.4074
17	V	A	5.0238
18	F	A	5.1620
19	L	A	4.5504
20	A	A	3.0080
21	L	A	3.2591
22	A	A	1.7691
23	G	A	0.5715
24	T	A	-0.3258
25	K	A	-1.1722
26	V	A	0.3525
27	E	A	-1.2703
28	A	A	-0.6840
29	S	A	-0.1337
30	V	A	1.3009
31	R	A	0.1300
32	Y	A	1.9989
33	I	A	2.6549
34	T	A	1.6414
35	Y	A	2.1690
36	P	A	0.9627
37	A	A	0.3818
38	I	A	0.7482
39	D	A	-2.4782
40	R	A	-3.5612
41	G	A	-2.8602
42	D	A	-3.3591
43	H	A	-2.7617
44	A	A	-1.3363
45	V	A	-0.7567
46	H	A	-0.9231
47	C	A	-1.5849
48	D	A	-2.6519
49	K	A	-2.8888
50	A	A	-1.8721
51	H	A	-2.3978
52	P	A	-2.4598
53	N	A	-2.3828
54	T	A	-1.8591
55	C	A	-2.2467
56	K	A	-3.2089
57	K	A	-4.2529
58	K	A	-4.8630
59	Q	A	-3.4092
60	A	A	-1.9650
61	N	A	-2.0275
62	P	A	-1.3243
63	Y	A	-0.6356
64	R	A	-2.4530
65	R	A	-2.5560
66	G	A	-1.2062
67	C	A	-0.2064
68	G	A	0.5045
69	V	A	1.9817
70	L	A	1.5167
71	E	A	-0.6425
72	G	A	-0.6315
73	C	A	-0.5701
74	H	A	-2.3204
75	R	A	-3.1242
76	E	A	-3.2941
77	T	A	-1.9655
78	G	A	-1.7927
79	P	A	-1.5922
80	K	A	-2.2705
81	P	A	-1.5255
82	T	A	-0.7782