Project name: 5b851bbc8577b8d

Chain sequence(s)	A: MAYQQDPCANPTRQTGKTGGQTDQYGNPVHQTEALGAYGAGTGTGMHGGEHQQQPHQQPGVLHRSGSSSSEDDGQGGRRKKGMKEKIKERIPGMGRKDEQKQTSATSTPGQGQQQKGMMEKIKEKLPGAH
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: -4.6785
• Maximal score value: 1.5391
• Average score: -1.747
• Total score value: -227.1145

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	1.2588
2	A	A	0.7393
3	Y	A	0.4417
4	Q	A	-1.4508
5	Q	A	-2.2676
6	D	A	-2.4103
7	P	A	-1.3976
8	C	A	-0.3689
9	A	A	-0.6366
10	N	A	-1.4646
11	P	A	-1.4839
12	T	A	-1.7856
13	R	A	-2.8090
14	Q	A	-2.6092
15	T	A	-1.9168
16	G	A	-2.0762
17	K	A	-2.3927
18	T	A	-1.5817
19	G	A	-1.7476
20	G	A	-1.9944
21	Q	A	-2.2297
22	T	A	-1.7376
23	D	A	-1.5987
24	Q	A	-1.4778
25	Y	A	-0.1513
26	G	A	-1.2195
27	N	A	-1.7907
28	P	A	-1.4984
29	V	A	-0.8479
30	H	A	-1.7599
31	Q	A	-2.1782
32	T	A	-1.4189
33	E	A	-1.9706
34	A	A	-0.3524
35	L	A	0.9143
36	G	A	0.3845
37	A	A	0.7210
38	Y	A	1.0232
39	G	A	0.0536
40	A	A	-0.2003
41	G	A	-0.7316
42	T	A	-0.6394
43	G	A	-0.6585
44	T	A	-0.5001
45	G	A	-0.3848
46	M	A	0.0463
47	H	A	-1.1722
48	G	A	-1.6200
49	G	A	-1.8520
50	E	A	-3.0268
51	H	A	-3.1697
52	Q	A	-2.9899
53	Q	A	-2.7718
54	Q	A	-2.7255
55	P	A	-2.2861
56	H	A	-2.4080
57	Q	A	-2.5908
58	Q	A	-2.0392
59	P	A	-0.8857
60	G	A	0.1638
61	V	A	1.5391
62	L	A	1.1999
63	H	A	-0.8077
64	R	A	-1.8429
65	S	A	-1.5008
66	G	A	-1.2911
67	S	A	-0.8743
68	S	A	-0.8614
69	S	A	-1.1961
70	S	A	-2.1160
71	E	A	-3.4438
72	D	A	-4.1067
73	D	A	-3.8135
74	G	A	-2.7804
75	Q	A	-3.1531
76	G	A	-3.4816
77	G	A	-2.9687
78	R	A	-3.7114
79	R	A	-4.3521
80	K	A	-3.9542
81	K	A	-3.5872
82	G	A	-2.2928
83	M	A	-1.0013
84	K	A	-2.3529
85	E	A	-2.9803
86	K	A	-2.5498
87	I	A	-0.6475
88	K	A	-1.9821
89	E	A	-2.8512
90	R	A	-2.3023
91	I	A	-0.2935
92	P	A	-0.5420
93	G	A	-1.1300
94	M	A	-0.7581
95	G	A	-2.1859
96	R	A	-3.7001
97	K	A	-4.5428
98	D	A	-4.6785
99	E	A	-4.6720
100	Q	A	-4.4131
101	K	A	-3.9590
102	Q	A	-2.9609
103	T	A	-1.6441
104	S	A	-1.1820
105	A	A	-0.5344
106	T	A	-0.3742
107	S	A	-0.8332
108	T	A	-0.7555
109	P	A	-0.9759
110	G	A	-1.7255
111	Q	A	-2.5500
112	G	A	-2.5991
113	Q	A	-3.0844
114	Q	A	-3.1159
115	Q	A	-3.1123
116	K	A	-3.1289
117	G	A	-2.1567
118	M	A	-0.9455
119	M	A	-1.1816
120	E	A	-3.2367
121	K	A	-2.6887
122	I	A	-0.5324
123	K	A	-2.5807
124	E	A	-3.4570
125	K	A	-2.3553
126	L	A	-0.4434
127	P	A	-0.8720
128	G	A	-1.0811
129	A	A	-1.1531
130	H	A	-1.3838