Project name: e1c922febaec733

Chain sequence(s)	A: MSQQQFNAGQNRGQAQEKAEQWTESAKQTAQSACDKTADLTQSARDKAADLTQSARDKTADGSHSANKSAQHNQEQAAGLFGQTGESVKNMAQGALDGVKNSLGMNEKK
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: -4.6877
• Maximal score value: 1.3056
• Average score: -2.2939
• Total score value: -250.0387

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	0.3021
2	S	A	-0.7163
3	Q	A	-1.6154
4	Q	A	-2.0061
5	Q	A	-1.7384
6	F	A	-0.5691
7	N	A	-2.5493
8	A	A	-2.3674
9	G	A	-2.4692
10	Q	A	-3.1966
11	N	A	-3.5436
12	R	A	-4.1707
13	G	A	-3.8346
14	Q	A	-4.2600
15	A	A	-3.6322
16	Q	A	-4.3333
17	E	A	-4.6877
18	K	A	-4.1384
19	A	A	-3.0738
20	E	A	-4.1580
21	Q	A	-3.5996
22	W	A	-1.8047
23	T	A	-2.4961
24	E	A	-3.5765
25	S	A	-2.3330
26	A	A	-2.0854
27	K	A	-3.3105
28	Q	A	-2.8630
29	T	A	-1.9880
30	A	A	-1.8353
31	Q	A	-2.6951
32	S	A	-2.1867
33	A	A	-1.7484
34	C	A	-1.3807
35	D	A	-3.0707
36	K	A	-2.9082
37	T	A	-1.5791
38	A	A	-2.0572
39	D	A	-2.8846
40	L	A	-0.8693
41	T	A	-1.8685
42	Q	A	-3.2798
43	S	A	-2.3639
44	A	A	-2.4825
45	R	A	-3.7802
46	D	A	-4.3094
47	K	A	-3.6864
48	A	A	-2.4005
49	A	A	-2.7471
50	D	A	-3.3303
51	L	A	-1.1747
52	T	A	-2.0945
53	Q	A	-3.2887
54	S	A	-2.5469
55	A	A	-2.3552
56	R	A	-3.9226
57	D	A	-4.2660
58	K	A	-4.1482
59	T	A	-3.1180
60	A	A	-2.4712
61	D	A	-3.1881
62	G	A	-2.2361
63	S	A	-1.7094
64	H	A	-2.3191
65	S	A	-2.3825
66	A	A	-2.3543
67	N	A	-3.0551
68	K	A	-3.6552
69	S	A	-3.0066
70	A	A	-3.0454
71	Q	A	-4.1569
72	H	A	-4.2509
73	N	A	-4.1630
74	Q	A	-3.8555
75	E	A	-3.7583
76	Q	A	-2.7833
77	A	A	-1.3845
78	A	A	-0.9016
79	G	A	-0.7679
80	L	A	0.8402
81	F	A	1.3056
82	G	A	-0.3138
83	Q	A	-1.0036
84	T	A	-0.3292
85	G	A	-0.8771
86	E	A	-2.3498
87	S	A	-1.3051
88	V	A	-0.2817
89	K	A	-2.4518
90	N	A	-2.0167
91	M	A	-0.3075
92	A	A	-0.7878
93	Q	A	-1.5537
94	G	A	-1.2344
95	A	A	-0.4916
96	L	A	0.0163
97	D	A	-1.8759
98	G	A	-0.9958
99	V	A	0.5814
100	K	A	-1.4368
101	N	A	-1.9492
102	S	A	-0.3174
103	L	A	0.5813
104	G	A	-0.6390
105	M	A	-0.9596
106	N	A	-3.0208
107	E	A	-3.5740
108	K	A	-3.5414
109	K	A	-3.1114