Project name: 12a1f5c7d21d836

Chain sequence(s)	A: MGSSHHHHHHSSGENLYFQGMGSKDLLKVELTTPNGEKVEVSLLDVLTEALRRALEKLKDLPEEERYEIMRKINAGISLKGLIEAFGGNQTRAALMMGINRGTLRKKLKKYGMN
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -4.4612
• Maximal score value: 1.8569
• Average score: -1.5178
• Total score value: -173.0243

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	M	A	0.7280
2	G	A	-0.2008
3	S	A	-0.6754
4	S	A	-1.2048
5	H	A	-2.1315
6	H	A	-2.4567
7	H	A	-2.7104
8	H	A	-2.7080
9	H	A	-2.4471
10	H	A	-2.5687
11	S	A	-2.0086
12	S	A	-1.5523
13	G	A	-1.0261
14	E	A	-1.9464
15	N	A	-1.1402
16	L	A	1.0935
17	Y	A	1.8569
18	F	A	1.1685
19	Q	A	-0.2438
20	G	A	-0.0766
21	M	A	0.0955
22	G	A	-1.0704
23	S	A	-0.9220
24	K	A	-2.3929
25	D	A	-2.2095
26	L	A	-0.2123
27	L	A	-0.6702
28	K	A	-1.7733
29	V	A	-0.8215
30	E	A	-2.1072
31	L	A	-0.5858
32	T	A	-1.5582
33	T	A	-1.5010
34	P	A	-1.4457
35	N	A	-2.4097
36	G	A	-2.2078
37	E	A	-3.2642
38	K	A	-2.8817
39	V	A	-1.4433
40	E	A	-2.2487
41	V	A	-0.6141
42	S	A	-0.7007
43	L	A	0.4960
44	L	A	0.7159
45	D	A	-0.4826
46	V	A	1.0788
47	L	A	1.1771
48	T	A	-0.2655
49	E	A	-1.0629
50	A	A	-0.8226
51	L	A	-1.3200
52	R	A	-2.9883
53	R	A	-3.6895
54	A	A	-2.4594
55	L	A	-2.5987
56	E	A	-4.2308
57	K	A	-3.7635
58	L	A	-3.0198
59	K	A	-3.9374
60	D	A	-3.2057
61	L	A	-2.3224
62	P	A	-2.4988
63	E	A	-3.5725
64	E	A	-3.3321
65	E	A	-3.0074
66	R	A	-2.7157
67	Y	A	-1.3662
68	E	A	-2.7385
69	I	A	-1.5333
70	M	A	-1.1604
71	R	A	-2.7478
72	K	A	-2.3053
73	I	A	-0.2869
74	N	A	-1.2889
75	A	A	-1.2033
76	G	A	-0.6596
77	I	A	0.9263
78	S	A	-0.1096
79	L	A	0.0000
80	K	A	-1.6725
81	G	A	-1.0632
82	L	A	-0.8589
83	I	A	-1.6166
84	E	A	-2.4458
85	A	A	-1.2544
86	F	A	-0.9372
87	G	A	-1.4549
88	G	A	-1.8266
89	N	A	-1.7599
90	Q	A	-1.7923
91	T	A	-1.5493
92	R	A	-1.5439
93	A	A	0.0000
94	A	A	0.0000
95	L	A	0.7642
96	M	A	1.2264
97	M	A	0.3017
98	G	A	-0.3376
99	I	A	-0.0715
100	N	A	-1.7116
101	R	A	-2.7833
102	G	A	-2.4623
103	T	A	-2.4158
104	L	A	0.0000
105	R	A	-4.4612
106	K	A	-4.4146
107	K	A	-3.6149
108	L	A	0.0000
109	K	A	-4.2716
110	K	A	-3.8942
111	Y	A	-2.6910
112	G	A	-2.1621
113	M	A	-2.1674
114	N	A	-2.5855