Project name: 4f74efb7b4c8a51

Chain sequence(s)	A: MAEEKHHHLFHHKEGEDFQPAADGGVDTYGYSTETVVTATGNDGEYERITKEEKHHKHKEHLGEMGAAAAGAFALYEKHEAKKDPEHAHKHKIEEEVAAAAAVGAGGFVFHEHHEKKQDHKEAKEASGEKKHHLFG
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: -5.2367
• Maximal score value: 2.5772
• Average score: -1.6262
• Total score value: -221.1575

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	0.4840
2	A	A	-0.6929
3	E	A	-2.7763
4	E	A	-3.6174
5	K	A	-3.6754
6	H	A	-2.9663
7	H	A	-1.7749
8	H	A	-0.4590
9	L	A	1.4099
10	F	A	1.3415
11	H	A	-0.8873
12	H	A	-2.1451
13	K	A	-3.4308
14	E	A	-3.6339
15	G	A	-2.9816
16	E	A	-3.2950
17	D	A	-2.3106
18	F	A	-0.0375
19	Q	A	-1.0350
20	P	A	-0.7094
21	A	A	-0.6278
22	A	A	-1.2113
23	D	A	-1.9395
24	G	A	-1.3279
25	G	A	-0.7537
26	V	A	0.5081
27	D	A	-0.8609
28	T	A	0.1243
29	Y	A	1.0439
30	G	A	0.5420
31	Y	A	0.9838
32	S	A	-0.1512
33	T	A	-0.5256
34	E	A	-0.9817
35	T	A	0.4032
36	V	A	2.0271
37	V	A	2.3393
38	T	A	1.2818
39	A	A	0.5348
40	T	A	-0.5464
41	G	A	-1.8085
42	N	A	-2.5730
43	D	A	-3.0065
44	G	A	-2.5956
45	E	A	-2.7985
46	Y	A	-0.9762
47	E	A	-2.4815
48	R	A	-2.5993
49	I	A	-0.5193
50	T	A	-1.5194
51	K	A	-3.5397
52	E	A	-4.2350
53	E	A	-4.1697
54	K	A	-4.3641
55	H	A	-4.0630
56	H	A	-4.3351
57	K	A	-4.2513
58	H	A	-3.6386
59	K	A	-4.0508
60	E	A	-4.0887
61	H	A	-2.7573
62	L	A	-0.7617
63	G	A	-1.8177
64	E	A	-2.1716
65	M	A	-0.1080
66	G	A	-0.4703
67	A	A	-0.2295
68	A	A	0.1956
69	A	A	0.6087
70	A	A	0.9210
71	G	A	1.1031
72	A	A	1.3691
73	F	A	2.0968
74	A	A	0.9193
75	L	A	1.2145
76	Y	A	0.6620
77	E	A	-2.0182
78	K	A	-2.8122
79	H	A	-2.9100
80	E	A	-4.0387
81	A	A	-3.9577
82	K	A	-4.7450
83	K	A	-4.5074
84	D	A	-4.2674
85	P	A	-3.2633
86	E	A	-3.6778
87	H	A	-3.2022
88	A	A	-2.8012
89	H	A	-2.7852
90	K	A	-3.6634
91	H	A	-3.8220
92	K	A	-3.3130
93	I	A	-1.3274
94	E	A	-2.8416
95	E	A	-3.3887
96	E	A	-2.2707
97	V	A	0.2386
98	A	A	-0.2334
99	A	A	-0.1228
100	A	A	0.2448
101	A	A	0.4570
102	A	A	0.7300
103	V	A	1.7927
104	G	A	0.8361
105	A	A	0.9562
106	G	A	1.2973
107	G	A	1.6191
108	F	A	2.5772
109	V	A	2.3238
110	F	A	1.7795
111	H	A	-0.6585
112	E	A	-1.9306
113	H	A	-2.7884
114	H	A	-3.7301
115	E	A	-4.7123
116	K	A	-4.6715
117	K	A	-4.8498
118	Q	A	-5.0198
119	D	A	-5.2367
120	H	A	-4.8231
121	K	A	-5.1689
122	E	A	-4.9800
123	A	A	-3.6966
124	K	A	-4.2750
125	E	A	-3.9140
126	A	A	-2.4246
127	S	A	-2.3523
128	G	A	-2.6774
129	E	A	-3.3072
130	K	A	-3.8114
131	K	A	-3.6877
132	H	A	-2.1213
133	H	A	-0.5032
134	L	A	1.6777
135	F	A	2.1224
136	G	A	0.6703