Project name: 10c1dfdd6bf98f

Chain sequence(s)	A: MAEEKHHHHLFHHKKEGEDFQPAADGGADVYGYSTETVVTGTGNEGEYERITKEEKHHKHKEHLGEMGAVAAGAFALYEKHEAKKDPEHAHKHKIEEELAAAAAVGAGGFVFHEHHEKKQDHKEAKEASGEKKHHLFG
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                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -5.7053
• Maximal score value: 2.4734
• Average score: -1.607
• Total score value: -221.77

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	0.4465
2	A	A	-0.9543
3	E	A	-2.9567
4	E	A	-3.7705
5	K	A	-3.8839
6	H	A	-3.3208
7	H	A	-2.8180
8	H	A	-1.8078
9	H	A	-0.4976
10	L	A	1.4344
11	F	A	1.5077
12	H	A	-0.8780
13	H	A	-2.1721
14	K	A	-3.5404
15	K	A	-3.8620
16	E	A	-3.6796
17	G	A	-3.1156
18	E	A	-3.0449
19	D	A	-2.2207
20	F	A	-0.0325
21	Q	A	-1.1391
22	P	A	-0.7185
23	A	A	-0.4849
24	A	A	-1.1624
25	D	A	-2.1063
26	G	A	-1.7091
27	G	A	-1.3366
28	A	A	-0.7010
29	D	A	-0.7952
30	V	A	1.5179
31	Y	A	1.7945
32	G	A	1.0195
33	Y	A	1.2654
34	S	A	-0.1680
35	T	A	-0.5294
36	E	A	-0.9714
37	T	A	0.4296
38	V	A	1.9621
39	V	A	2.1493
40	T	A	1.0641
41	G	A	0.0302
42	T	A	-0.8811
43	G	A	-2.0489
44	N	A	-2.7832
45	E	A	-3.0544
46	G	A	-2.6975
47	E	A	-2.3334
48	Y	A	-0.8082
49	E	A	-2.3897
50	R	A	-2.4045
51	I	A	-0.2765
52	T	A	-1.4094
53	K	A	-3.3913
54	E	A	-4.3410
55	E	A	-4.1686
56	K	A	-4.3758
57	H	A	-4.3383
58	H	A	-4.5917
59	K	A	-4.1694
60	H	A	-3.6923
61	K	A	-4.0105
62	E	A	-4.2734
63	H	A	-2.9491
64	L	A	-0.8428
65	G	A	-1.6351
66	E	A	-1.7272
67	M	A	0.3340
68	G	A	0.0738
69	A	A	0.5998
70	V	A	1.9256
71	A	A	1.2800
72	A	A	1.4597
73	G	A	1.7081
74	A	A	2.0545
75	F	A	2.4734
76	A	A	1.2501
77	L	A	1.4071
78	Y	A	0.9818
79	E	A	-1.4368
80	K	A	-2.5552
81	H	A	-2.7252
82	E	A	-3.5070
83	A	A	-3.8753
84	K	A	-4.5111
85	K	A	-4.2615
86	D	A	-3.9763
87	P	A	-3.1570
88	E	A	-3.3345
89	H	A	-2.9861
90	A	A	-2.4477
91	H	A	-2.5036
92	K	A	-2.8185
93	H	A	-3.1169
94	K	A	-3.1738
95	I	A	-1.2108
96	E	A	-2.8217
97	E	A	-3.2961
98	E	A	-2.2948
99	L	A	-0.0497
100	A	A	-0.5196
101	A	A	-0.1770
102	A	A	0.1329
103	A	A	0.4045
104	A	A	0.9190
105	V	A	2.2502
106	G	A	1.2440
107	A	A	1.5173
108	G	A	1.5481
109	G	A	1.5323
110	F	A	2.3737
111	V	A	2.2902
112	F	A	1.5520
113	H	A	-0.8039
114	E	A	-2.1813
115	H	A	-2.3720
116	H	A	-3.6281
117	E	A	-4.9777
118	K	A	-5.4467
119	K	A	-5.3517
120	Q	A	-5.1459
121	D	A	-5.7053
122	H	A	-5.3304
123	K	A	-5.5278
124	E	A	-5.2102
125	A	A	-3.8065
126	K	A	-4.5906
127	E	A	-4.3722
128	A	A	-2.5265
129	S	A	-2.5900
130	G	A	-2.9715
131	E	A	-3.8801
132	K	A	-3.9439
133	K	A	-3.5888
134	H	A	-2.4250
135	H	A	-0.9216
136	L	A	1.4393
137	F	A	2.1188
138	G	A	0.7631