Project name: e4c4b99ae6aaa90

Chain sequence(s)	A: MAEEKHHHHLFHHHKEEKPAEEVIYSETAYSGGGDYASGYTETVVAESASDEYEKYKKEEKHHKHKEHLGEMGAVAAGAFALYEKHEAKKDPDHAHKHKIEEEIAAAVAVGSGGYAFHEHHEKKDAKKEAEEASGKKHHHHLF
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.                                          (00:00:02)

• Minimal score value: -5.8459
• Maximal score value: 2.5679
• Average score: -1.4197
• Total score value: -203.0128

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	0.6878
2	A	A	-0.6350
3	E	A	-2.9675
4	E	A	-3.8780
5	K	A	-3.9238
6	H	A	-3.2983
7	H	A	-2.7351
8	H	A	-1.7765
9	H	A	-0.6826
10	L	A	1.2311
11	F	A	1.4210
12	H	A	-0.7024
13	H	A	-1.8940
14	H	A	-2.7787
15	K	A	-3.8071
16	E	A	-4.2207
17	E	A	-4.0162
18	K	A	-3.1844
19	P	A	-2.0079
20	A	A	-1.6866
21	E	A	-2.1903
22	E	A	-1.2282
23	V	A	1.7494
24	I	A	2.5679
25	Y	A	2.0766
26	S	A	0.2564
27	E	A	-1.2823
28	T	A	-0.7069
29	A	A	-0.0015
30	Y	A	0.8193
31	S	A	0.0365
32	G	A	-0.5394
33	G	A	-1.2553
34	G	A	-1.4045
35	D	A	-1.4770
36	Y	A	0.2637
37	A	A	0.2185
38	S	A	0.1940
39	G	A	0.0203
40	Y	A	0.4918
41	T	A	-0.2733
42	E	A	-0.8298
43	T	A	0.3307
44	V	A	1.7616
45	V	A	1.9453
46	A	A	0.3917
47	E	A	-1.9611
48	S	A	-1.3440
49	A	A	-1.6596
50	S	A	-2.4629
51	D	A	-3.9236
52	E	A	-3.6014
53	Y	A	-1.9078
54	E	A	-4.0146
55	K	A	-4.4276
56	Y	A	-2.7452
57	K	A	-4.0360
58	K	A	-4.7398
59	E	A	-4.1735
60	E	A	-4.4739
61	K	A	-4.7632
62	H	A	-4.0806
63	H	A	-3.6676
64	K	A	-3.6877
65	H	A	-3.0675
66	K	A	-2.1741
67	E	A	-1.6543
68	H	A	-1.4909
69	L	A	0.1676
70	G	A	0.0000
71	E	A	-0.2308
72	M	A	0.9683
73	G	A	1.0853
74	A	A	1.4556
75	V	A	2.3313
76	A	A	1.4256
77	A	A	2.1061
78	G	A	2.0818
79	A	A	1.8335
80	F	A	2.3538
81	A	A	0.0000
82	L	A	1.6498
83	Y	A	1.6415
84	E	A	0.0000
85	K	A	-1.8607
86	H	A	-1.8645
87	E	A	-2.3185
88	A	A	-3.5715
89	K	A	-3.8814
90	K	A	-3.6402
91	D	A	-3.3689
92	P	A	-3.0264
93	D	A	-3.3596
94	H	A	-3.6287
95	A	A	-3.5795
96	H	A	-2.9040
97	K	A	-3.3139
98	H	A	-3.0323
99	K	A	-3.2227
100	I	A	-0.9611
101	E	A	-0.8865
102	E	A	-0.8756
103	E	A	-1.1293
104	I	A	1.6826
105	A	A	0.0000
106	A	A	1.2617
107	A	A	1.3035
108	V	A	2.1255
109	A	A	1.8908
110	V	A	2.1644
111	G	A	1.1240
112	S	A	1.0519
113	G	A	0.9386
114	G	A	0.5635
115	Y	A	0.4856
116	A	A	-0.0868
117	F	A	0.7791
118	H	A	-0.5482
119	E	A	0.0000
120	H	A	-1.6791
121	H	A	-2.1856
122	E	A	-3.2740
123	K	A	-3.9700
124	K	A	-4.6619
125	D	A	-5.0617
126	A	A	-4.2995
127	K	A	-5.3729
128	K	A	-5.8459
129	E	A	-5.2165
130	A	A	-4.1979
131	E	A	-5.2737
132	E	A	-4.7861
133	A	A	-2.8681
134	S	A	-3.0035
135	G	A	-2.9584
136	K	A	-3.9760
137	K	A	-4.0312
138	H	A	-3.2745
139	H	A	-2.7785
140	H	A	-1.7938
141	H	A	-0.5885
142	L	A	1.5867
143	F	A	2.2941