Project name: ae3c952d57c2fd1

Chain sequence(s)	A: MGSSHHHHHHSSGENLYFQGMGSKPYTMVEVMNADGTVEEVDLGDLLAEALDRQLKEQPELEPGEVYKEVREDLEKTLLAEVMRHTGGNQTRAALMMGINRGTLRKKLKKYGMN
Selected Chain(s)	A
Distance of aggregation	5 Å
FoldX 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 Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -2.3169
• Maximal score value: 1.9688
• Average score: -0.5232
• Total score value: -59.6453

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	0.9656
2	G	A	-0.3029
3	S	A	-0.3250
4	S	A	-0.4171
5	H	A	-1.1965
6	H	A	-1.3255
7	H	A	-1.3329
8	H	A	-1.3397
9	H	A	-1.3399
10	H	A	-1.2059
11	S	A	-0.4282
12	S	A	-0.3403
13	G	A	-0.8258
14	E	A	-1.9480
15	N	A	-1.3239
16	L	A	1.3636
17	Y	A	1.9688
18	F	A	1.9612
19	Q	A	-0.9291
20	G	A	-0.4880
21	M	A	0.8811
22	G	A	-0.3110
23	S	A	-0.6089
24	K	A	-1.7836
25	P	A	-0.3079
26	Y	A	1.2546
27	T	A	0.3083
28	M	A	0.6640
29	V	A	0.1903
30	E	A	-1.8745
31	V	A	0.3261
32	M	A	1.3035
33	N	A	-0.2188
34	A	A	-0.3391
35	D	A	-1.8634
36	G	A	-0.8011
37	T	A	0.1746
38	V	A	1.6960
39	E	A	-1.1241
40	E	A	-2.1976
41	V	A	-0.1114
42	D	A	0.0388
43	L	A	0.3935
44	G	A	-0.4455
45	D	A	-1.7309
46	L	A	0.2637
47	L	A	0.5834
48	A	A	-0.1849
49	E	A	-1.8053
50	A	A	-0.2482
51	L	A	0.1187
52	D	A	-1.4272
53	R	A	-2.1515
54	Q	A	-0.6137
55	L	A	0.6641
56	K	A	-1.8426
57	E	A	-2.3169
58	Q	A	-1.3472
59	P	A	-0.7647
60	E	A	-1.8138
61	L	A	-0.4082
62	E	A	-1.8121
63	P	A	-0.6744
64	G	A	-0.7108
65	E	A	-1.0973
66	V	A	0.3710
67	Y	A	1.0631
68	K	A	-1.6701
69	E	A	-1.3928
70	V	A	-0.0791
71	R	A	-1.2520
72	E	A	-0.8948
73	D	A	-1.6525
74	L	A	0.6720
75	E	A	-0.1946
76	K	A	-0.7574
77	T	A	-0.0097
78	L	A	0.9962
79	L	A	0.0000
80	A	A	-0.1949
81	E	A	-1.2194
82	V	A	0.0000
83	M	A	-0.2413
84	R	A	-2.0067
85	H	A	-1.3372
86	T	A	0.0000
87	G	A	-0.5380
88	G	A	-0.5994
89	N	A	-0.8950
90	Q	A	-0.4403
91	T	A	-0.4565
92	R	A	-1.8569
93	A	A	0.0000
94	A	A	0.0000
95	L	A	1.7296
96	M	A	1.3029
97	M	A	0.3070
98	G	A	-0.3255
99	I	A	0.2533
100	N	A	-1.5119
101	R	A	-2.1114
102	G	A	-0.5123
103	T	A	-0.0634
104	L	A	0.0000
105	R	A	-2.1583
106	K	A	-2.1188
107	K	A	-0.9157
108	L	A	0.0000
109	K	A	-2.0698
110	K	A	-2.0407
111	Y	A	-0.2639
112	G	A	-0.5424
113	M	A	0.0737
114	N	A	-1.2060