Project name: fdd6c65a0077f4a

Chain sequence(s)	A: MQYYENREKDYYEVAQGQRNGYGQSQSHNHEGYGQSQSRGGYGQIHNREGYNQNREGYSQSQSRPVYGLSPTLNHRSHGGFLDGLFKGQNGQKGQSGLGTFLGQHKSQEAKKSQGHGKLLGQHDQKKTHETNSGLNGLGMFINNGEKKHRRKSEHKKKNKDGHGSGNESGSSSGSDSD
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: -4.2727
• Maximal score value: 2.9854
• Average score: -1.5456
• Total score value: -275.1224

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	1.0144
2	Q	A	-0.0419
3	Y	A	0.7886
4	Y	A	-0.0549
5	E	A	-2.7613
6	N	A	-3.7674
7	R	A	-4.0909
8	E	A	-4.1618
9	K	A	-3.9822
10	D	A	-2.9976
11	Y	A	-0.5084
12	Y	A	-0.0919
13	E	A	-1.7432
14	V	A	0.3944
15	A	A	-0.4305
16	Q	A	-2.0271
17	G	A	-2.2690
18	Q	A	-2.9745
19	R	A	-3.4456
20	N	A	-2.7029
21	G	A	-1.4265
22	Y	A	0.0084
23	G	A	-0.9077
24	Q	A	-1.5756
25	S	A	-1.6562
26	Q	A	-2.0913
27	S	A	-1.9263
28	H	A	-2.2628
29	N	A	-2.8939
30	H	A	-2.7891
31	E	A	-2.5244
32	G	A	-1.3228
33	Y	A	0.0700
34	G	A	-0.7561
35	Q	A	-1.5906
36	S	A	-1.8224
37	Q	A	-2.2578
38	S	A	-1.9311
39	R	A	-2.6563
40	G	A	-1.5926
41	G	A	-0.7944
42	Y	A	0.6793
43	G	A	-0.2715
44	Q	A	-0.5677
45	I	A	0.4762
46	H	A	-1.6857
47	N	A	-2.7555
48	R	A	-3.3917
49	E	A	-3.1807
50	G	A	-1.7765
51	Y	A	-0.4406
52	N	A	-2.0625
53	Q	A	-2.6730
54	N	A	-3.5320
55	R	A	-3.7769
56	E	A	-3.0409
57	G	A	-1.5309
58	Y	A	-0.0216
59	S	A	-0.9867
60	Q	A	-1.4475
61	S	A	-1.5721
62	Q	A	-2.3609
63	S	A	-1.7295
64	R	A	-1.7926
65	P	A	-0.0302
66	V	A	1.8931
67	Y	A	1.9630
68	G	A	1.3200
69	L	A	1.7793
70	S	A	0.9372
71	P	A	0.0136
72	T	A	-0.1301
73	L	A	0.0629
74	N	A	-1.7732
75	H	A	-2.4919
76	R	A	-2.8640
77	S	A	-1.7784
78	H	A	-1.7924
79	G	A	-1.3517
80	G	A	-0.4741
81	F	A	1.9877
82	L	A	1.5890
83	D	A	-0.5787
84	G	A	0.1333
85	L	A	1.8531
86	F	A	1.0875
87	K	A	-1.7175
88	G	A	-2.2162
89	Q	A	-2.1729
90	N	A	-2.8339
91	G	A	-2.9039
92	Q	A	-3.1811
93	K	A	-3.1337
94	G	A	-2.4326
95	Q	A	-2.0258
96	S	A	-0.8693
97	G	A	-0.0603
98	L	A	1.4078
99	G	A	0.9214
100	T	A	1.0840
101	F	A	2.4475
102	L	A	1.8061
103	G	A	-0.2841
104	Q	A	-1.8529
105	H	A	-2.5312
106	K	A	-3.1444
107	S	A	-2.4885
108	Q	A	-2.9015
109	E	A	-3.3774
110	A	A	-2.5034
111	K	A	-3.4079
112	K	A	-3.2571
113	S	A	-2.3911
114	Q	A	-2.4537
115	G	A	-2.1725
116	H	A	-1.9628
117	G	A	-1.4497
118	K	A	-1.1367
119	L	A	1.0161
120	L	A	1.3302
121	G	A	-0.3441
122	Q	A	-1.7853
123	H	A	-2.8304
124	D	A	-3.5488
125	Q	A	-3.5542
126	K	A	-3.6015
127	K	A	-3.0901
128	T	A	-2.2083
129	H	A	-2.4269
130	E	A	-2.6601
131	T	A	-1.9704
132	N	A	-1.8250
133	S	A	-1.1360
134	G	A	-0.7153
135	L	A	0.5220
136	N	A	-0.6809
137	G	A	0.0322
138	L	A	1.5980
139	G	A	1.4543
140	M	A	2.5512
141	F	A	2.9854
142	I	A	2.1423
143	N	A	-0.5720
144	N	A	-1.9747
145	G	A	-2.7248
146	E	A	-3.9154
147	K	A	-4.1606
148	K	A	-4.2330
149	H	A	-4.0116
150	R	A	-4.2727
151	R	A	-4.0468
152	K	A	-3.6843
153	S	A	-2.5704
154	E	A	-3.3374
155	H	A	-3.2011
156	K	A	-3.7988
157	K	A	-4.0682
158	K	A	-4.1079
159	N	A	-3.8205
160	K	A	-3.6989
161	D	A	-3.5633
162	G	A	-2.4742
163	H	A	-1.9469
164	G	A	-1.4095
165	S	A	-1.4326
166	G	A	-1.8499
167	N	A	-2.6858
168	E	A	-2.8593
169	S	A	-1.6781
170	G	A	-1.2756
171	S	A	-0.6403
172	S	A	-0.6267
173	S	A	-0.6717
174	G	A	-1.1092
175	S	A	-1.4064
176	D	A	-2.4496
177	S	A	-2.0116
178	D	A	-2.2520