Project name: a25e8cdca6214b5

Chain sequence(s)	A: MSSLPFVFGAAASSRVVTAAAAKGTAETKQEKSFVDWLLGKITKEDQFYETDPILRGGDVKSSGSTSGKKGGTTSGKKGTVSIPSKKKNGNGGVFGGLFAKKD
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.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -3.9501
• Maximal score value: 3.6665
• Average score: -0.5305
• Total score value: -54.6427

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	1.0700
2	S	A	0.5137
3	S	A	0.8665
4	L	A	2.1309
5	P	A	2.0706
6	F	A	3.5157
7	V	A	3.6665
8	F	A	3.0564
9	G	A	1.1282
10	A	A	0.4339
11	A	A	0.1441
12	A	A	-0.2708
13	S	A	-0.5463
14	S	A	-0.4804
15	R	A	-0.6159
16	V	A	1.6303
17	V	A	2.0523
18	T	A	1.1006
19	A	A	0.6670
20	A	A	0.1057
21	A	A	-0.4162
22	A	A	-0.8472
23	K	A	-1.8865
24	G	A	-1.5170
25	T	A	-1.2326
26	A	A	-1.4655
27	E	A	-2.5636
28	T	A	-2.4739
29	K	A	-3.6166
30	Q	A	-3.7877
31	E	A	-3.3973
32	K	A	-2.7340
33	S	A	-0.4861
34	F	A	2.2313
35	V	A	2.0927
36	D	A	0.2623
37	W	A	2.0629
38	L	A	2.6488
39	L	A	2.4505
40	G	A	0.5004
41	K	A	-0.6354
42	I	A	0.6763
43	T	A	-0.9402
44	K	A	-2.7267
45	E	A	-2.9096
46	D	A	-2.9758
47	Q	A	-2.2092
48	F	A	-0.2642
49	Y	A	-0.0903
50	E	A	-1.6630
51	T	A	-0.7720
52	D	A	-0.9572
53	P	A	-0.2158
54	I	A	1.3938
55	L	A	0.6512
56	R	A	-1.3757
57	G	A	-0.9270
58	G	A	-1.2428
59	D	A	-1.8789
60	V	A	-0.4064
61	K	A	-1.5044
62	S	A	-1.0407
63	S	A	-0.8011
64	G	A	-0.7705
65	S	A	-0.6825
66	T	A	-0.7411
67	S	A	-1.3378
68	G	A	-2.0467
69	K	A	-2.9921
70	K	A	-3.0444
71	G	A	-2.0368
72	G	A	-1.4198
73	T	A	-0.7672
74	T	A	-0.7144
75	S	A	-1.4240
76	G	A	-1.9035
77	K	A	-2.8155
78	K	A	-2.6898
79	G	A	-1.1948
80	T	A	0.1454
81	V	A	1.6008
82	S	A	1.0092
83	I	A	1.9083
84	P	A	-0.0166
85	S	A	-1.2920
86	K	A	-3.0177
87	K	A	-3.9501
88	K	A	-3.9286
89	N	A	-3.5029
90	G	A	-2.7487
91	N	A	-2.2186
92	G	A	-1.1412
93	G	A	0.2514
94	V	A	2.2053
95	F	A	2.9540
96	G	A	1.3172
97	G	A	0.9764
98	L	A	2.3945
99	F	A	2.0768
100	A	A	-0.0683
101	K	A	-2.2317
102	K	A	-2.9895
103	D	A	-3.0438