Project name: da21e79ffc0ad3b

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

• Minimal score value: -4.7122
• Maximal score value: 3.5189
• Average score: -1.6854
• Total score value: -374.1686

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	0.6746
2	A	A	-0.9149
3	E	A	-2.9470
4	E	A	-3.8044
5	N	A	-3.8209
6	Q	A	-3.5322
7	N	A	-3.1459
8	K	A	-2.9395
9	Y	A	-1.3837
10	E	A	-2.7199
11	E	A	-2.6085
12	T	A	-1.3119
13	T	A	-1.0498
14	A	A	-0.6767
15	T	A	-1.0037
16	N	A	-1.9691
17	S	A	-1.9713
18	E	A	-2.6210
19	T	A	-1.7140
20	E	A	-2.2319
21	I	A	-0.7603
22	K	A	-2.7194
23	D	A	-3.0335
24	R	A	-2.4929
25	G	A	-0.6648
26	V	A	2.0788
27	F	A	2.3278
28	D	A	0.0641
29	F	A	2.3876
30	L	A	2.1129
31	G	A	-0.3269
32	G	A	-1.5710
33	K	A	-3.2617
34	K	A	-4.1625
35	K	A	-4.5535
36	D	A	-4.6432
37	E	A	-4.1567
38	E	A	-3.6134
39	H	A	-1.9405
40	I	A	-0.1751
41	K	A	-1.8748
42	P	A	-2.0468
43	Q	A	-2.9002
44	E	A	-3.3062
45	D	A	-2.5889
46	A	A	-0.6176
47	V	A	0.8876
48	A	A	0.4596
49	T	A	-0.1307
50	D	A	-0.8045
51	F	A	0.4316
52	S	A	-0.5254
53	H	A	-1.1176
54	K	A	-0.9528
55	V	A	1.1892
56	T	A	1.0579
57	L	A	2.0356
58	Y	A	1.3607
59	E	A	-0.9140
60	A	A	-0.7694
61	P	A	-1.0250
62	S	A	-1.4139
63	E	A	-2.3859
64	T	A	-1.4421
65	K	A	-1.7130
66	V	A	-0.4103
67	E	A	-2.5153
68	E	A	-3.7511
69	K	A	-4.5147
70	E	A	-4.4453
71	E	A	-4.2376
72	G	A	-3.5828
73	E	A	-4.2209
74	K	A	-4.0340
75	K	A	-3.6749
76	H	A	-2.5909
77	T	A	-1.4877
78	S	A	-0.2712
79	L	A	1.1589
80	L	A	1.1588
81	E	A	-1.6049
82	K	A	-1.5042
83	L	A	-0.0545
84	H	A	-2.2726
85	R	A	-3.0061
86	S	A	-2.1783
87	D	A	-2.7879
88	S	A	-1.7110
89	S	A	-1.1074
90	S	A	-0.7844
91	S	A	-0.5656
92	S	A	-0.5563
93	S	A	-1.1037
94	S	A	-1.6838
95	E	A	-3.0978
96	E	A	-3.4096
97	E	A	-2.8068
98	V	A	-0.9366
99	D	A	-2.2585
100	G	A	-2.5553
101	E	A	-3.5858
102	R	A	-4.1413
103	R	A	-4.5447
104	K	A	-4.1569
105	K	A	-4.1649
106	K	A	-4.3278
107	K	A	-4.1118
108	K	A	-4.3218
109	E	A	-4.4336
110	K	A	-4.1767
111	K	A	-4.5847
112	E	A	-4.7122
113	K	A	-4.5185
114	K	A	-4.5919
115	E	A	-4.2937
116	D	A	-3.2477
117	T	A	-1.1897
118	S	A	0.1313
119	V	A	1.4864
120	P	A	0.5790
121	V	A	0.9511
122	E	A	-1.3485
123	K	A	-1.6007
124	V	A	0.4994
125	D	A	-0.6039
126	V	A	1.4525
127	V	A	1.2949
128	D	A	-0.9838
129	G	A	-0.8064
130	T	A	-0.3472
131	T	A	-1.0550
132	A	A	-1.3027
133	S	A	-1.7842
134	T	A	-2.5693
135	E	A	-3.5521
136	E	A	-3.6291
137	K	A	-3.3670
138	K	A	-3.4304
139	G	A	-2.3427
140	F	A	-0.5908
141	L	A	-0.9417
142	D	A	-2.7490
143	K	A	-2.2742
144	I	A	-0.7206
145	K	A	-2.1006
146	E	A	-3.3909
147	K	A	-2.4778
148	L	A	-0.8600
149	P	A	-0.9889
150	G	A	-1.8749
151	H	A	-2.8632
152	K	A	-3.5512
153	K	A	-3.7161
154	T	A	-2.5597
155	D	A	-3.0769
156	D	A	-2.0895
157	V	A	0.4146
158	T	A	0.0834
159	T	A	0.0922
160	P	A	-0.2858
161	P	A	-0.1348
162	P	A	0.8399
163	V	A	2.7734
164	V	A	3.5189
165	V	A	3.0873
166	A	A	1.1649
167	P	A	0.6887
168	A	A	0.8067
169	V	A	1.5585
170	P	A	0.6740
171	S	A	-0.2919
172	A	A	-1.1016
173	E	A	-1.8825
174	T	A	-0.9766
175	T	A	-0.5669
176	T	A	-0.1691
177	T	A	-0.1639
178	T	A	-0.2633
179	A	A	-0.3174
180	S	A	-1.2458
181	H	A	-2.2571
182	D	A	-3.4178
183	Q	A	-3.2037
184	G	A	-3.3064
185	E	A	-3.8885
186	K	A	-3.7440
187	K	A	-3.0505
188	G	A	-0.5842
189	I	A	1.5613
190	L	A	1.4141
191	E	A	-1.1959
192	K	A	-1.2846
193	I	A	1.0564
194	K	A	-0.6518
195	E	A	-2.3175
196	K	A	-1.7941
197	I	A	0.0871
198	P	A	-0.5168
199	G	A	-0.6911
200	Y	A	-0.5773
201	H	A	-1.8895
202	P	A	-1.7601
203	K	A	-2.4724
204	T	A	-1.3623
205	A	A	-1.0289
206	T	A	-1.8453
207	E	A	-3.4694
208	H	A	-3.8793
209	E	A	-4.2718
210	D	A	-4.4900
211	N	A	-4.1629
212	K	A	-4.3228
213	D	A	-4.1312
214	H	A	-3.6341
215	H	A	-3.6571
216	K	A	-3.9602
217	D	A	-4.0755
218	E	A	-3.4421
219	T	A	-1.7656
220	T	A	-1.0615
221	S	A	-0.7439
222	H	A	-1.1183