Project name: bb505c8c6e0d896

Chain sequence(s)	A: MKLPIIFLTLLIFVSSCTSTLINGSSDEERTYSFSPTTSPFDPRSLNQELKIGRIGYCFDCARACMRRGKYIRTCSFERKLCRCSISDIK
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                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -4.2714
• Maximal score value: 5.9027
• Average score: 0.1321
• Total score value: 11.8867

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	0.8936
2	K	A	0.6407
3	L	A	2.7741
4	P	A	2.8166
5	I	A	4.3441
6	I	A	5.0479
7	F	A	5.5342
8	L	A	5.6653
9	T	A	5.0459
10	L	A	5.9027
11	L	A	5.6399
12	I	A	5.2812
13	F	A	4.9820
14	V	A	4.2601
15	S	A	2.6213
16	S	A	1.7923
17	C	A	1.8400
18	T	A	1.1299
19	S	A	0.6904
20	T	A	0.9838
21	L	A	2.1397
22	I	A	1.9308
23	N	A	-0.3310
24	G	A	-0.7797
25	S	A	-1.7514
26	S	A	-2.5264
27	D	A	-3.6222
28	E	A	-4.2714
29	E	A	-3.9571
30	R	A	-3.1900
31	T	A	-0.9674
32	Y	A	0.8728
33	S	A	0.9820
34	F	A	2.0478
35	S	A	0.7007
36	P	A	0.2558
37	T	A	-0.0882
38	T	A	-0.1321
39	S	A	-0.1656
40	P	A	0.0956
41	F	A	0.9186
42	D	A	-1.2310
43	P	A	-1.3600
44	R	A	-2.6994
45	S	A	-1.8976
46	L	A	-0.6148
47	N	A	-2.4918
48	Q	A	-2.7362
49	E	A	-1.9693
50	L	A	-1.0542
51	K	A	-1.3489
52	I	A	0.7106
53	G	A	-0.0360
54	R	A	-0.5822
55	I	A	1.9657
56	G	A	1.2130
57	Y	A	0.2939
58	C	A	1.0313
59	F	A	1.5186
60	D	A	-0.5403
61	C	A	0.0000
62	A	A	-0.1182
63	R	A	-1.1000
64	A	A	-1.2553
65	C	A	0.0000
66	M	A	-0.7239
67	R	A	-2.4641
68	R	A	-2.6834
69	G	A	-1.5021
70	K	A	-0.9937
71	Y	A	0.2366
72	I	A	0.6481
73	R	A	-1.4115
74	T	A	-0.9564
75	C	A	-0.7293
76	S	A	-1.3989
77	F	A	-1.6789
78	E	A	-3.0532
79	R	A	-3.2171
80	K	A	-2.7859
81	L	A	-1.4419
82	C	A	-1.1524
83	R	A	-1.4964
84	C	A	-0.6311
85	S	A	0.0000
86	I	A	1.3358
87	S	A	-0.0546
88	D	A	-1.5396
89	I	A	-0.4528
90	K	A	-1.7118