Project name: cc08c09531633cc

Chain sequence(s)	A: MEEEKHHHHHLFHHKDKAEEGPVDYEKEIKHHKHLEQIGKLGTVAAGAYALHEKHEAKKDPEHAHKHKIEEEIAAAAAVGAGGFAFHEHHEKKDAKKEEKKKLRGDTTISSKLLF
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: -6.3595
• Maximal score value: 2.8186
• Average score: -1.8184
• Total score value: -209.1188

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	-0.5285
2	E	A	-2.8798
3	E	A	-3.8700
4	E	A	-4.2614
5	K	A	-4.1470
6	H	A	-3.3152
7	H	A	-3.0283
8	H	A	-2.4839
9	H	A	-1.5644
10	H	A	-0.7840
11	L	A	1.2128
12	F	A	1.2335
13	H	A	-1.1073
14	H	A	-2.2729
15	K	A	-3.5338
16	D	A	-4.1107
17	K	A	-3.8583
18	A	A	-3.0220
19	E	A	-3.6270
20	E	A	-2.8202
21	G	A	-1.8170
22	P	A	-0.6824
23	V	A	-0.2525
24	D	A	-1.7799
25	Y	A	-0.8108
26	E	A	-2.7893
27	K	A	-3.6616
28	E	A	-3.2396
29	I	A	-1.7717
30	K	A	-3.3879
31	H	A	-3.4923
32	H	A	-3.0766
33	K	A	-3.2632
34	H	A	-2.3430
35	L	A	-0.7126
36	E	A	-2.1586
37	Q	A	-1.6725
38	I	A	0.8260
39	G	A	-0.4134
40	K	A	-0.8289
41	L	A	1.3277
42	G	A	0.4629
43	T	A	0.6661
44	V	A	2.0081
45	A	A	1.3929
46	A	A	1.0481
47	G	A	1.2295
48	A	A	1.1104
49	Y	A	0.9985
50	A	A	0.2306
51	L	A	0.1541
52	H	A	-1.5376
53	E	A	-2.8294
54	K	A	-3.1098
55	H	A	-3.3424
56	E	A	-4.1145
57	A	A	-3.9942
58	K	A	-4.3919
59	K	A	-4.4310
60	D	A	-4.2616
61	P	A	-3.2430
62	E	A	-3.5737
63	H	A	-3.8790
64	A	A	-2.9745
65	H	A	-2.9616
66	K	A	-3.4172
67	H	A	-3.0694
68	K	A	-3.0370
69	I	A	-0.9833
70	E	A	-2.4300
71	E	A	-2.4404
72	E	A	-1.6958
73	I	A	0.6773
74	A	A	-0.0264
75	A	A	0.1938
76	A	A	0.4772
77	A	A	0.6495
78	A	A	1.0370
79	V	A	1.9808
80	G	A	1.0757
81	A	A	1.0724
82	G	A	1.1282
83	G	A	0.9702
84	F	A	1.5768
85	A	A	0.5736
86	F	A	0.5276
87	H	A	-1.2973
88	E	A	-2.7789
89	H	A	-2.9082
90	H	A	-3.8626
91	E	A	-4.7399
92	K	A	-5.3100
93	K	A	-5.4740
94	D	A	-5.3714
95	A	A	-4.6594
96	K	A	-5.7944
97	K	A	-6.3595
98	E	A	-6.2253
99	E	A	-5.8342
100	K	A	-5.6884
101	K	A	-5.7299
102	K	A	-4.7654
103	L	A	-2.4498
104	R	A	-3.5423
105	G	A	-2.5605
106	D	A	-2.4055
107	T	A	-1.4149
108	T	A	-0.5888
109	I	A	0.9889
110	S	A	0.2167
111	S	A	0.4948
112	K	A	0.3338
113	L	A	2.3911
114	L	A	2.8186
115	F	A	2.6688