Project name: f909ad987a74d2

Chain sequence(s)	A: MAEEQKTSKVDVESPAVLAPAKEPTPAPVEVADEKIHNPPPVESKALAVVEKPIEEHTPKKASSGSADRDVILADLEKEKKTSFIKAWEESEKSKAENRAQKKISDVHAWENSKKAAVEAQLRKIEEKLEKKKAQYGEKMKNKVAAIHKLAEEKRAMVEAKKGEELLKAEEMGAKYRATGVVPKATCGCF
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: -4.6641
• Maximal score value: 2.4992
• Average score: -1.5337
• Total score value: -291.4084

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	0.6980
2	A	A	-0.9648
3	E	A	-2.7158
4	E	A	-3.7072
5	Q	A	-3.3669
6	K	A	-3.0044
7	T	A	-1.4799
8	S	A	-1.2272
9	K	A	-1.4295
10	V	A	0.2492
11	D	A	-1.1030
12	V	A	0.1916
13	E	A	-1.4153
14	S	A	-1.0262
15	P	A	-0.1680
16	A	A	1.1595
17	V	A	2.4992
18	L	A	2.4133
19	A	A	0.9692
20	P	A	-0.2863
21	A	A	-1.1164
22	K	A	-2.6758
23	E	A	-2.8548
24	P	A	-1.7866
25	T	A	-1.0026
26	P	A	-0.3423
27	A	A	-0.0244
28	P	A	0.3113
29	V	A	1.2118
30	E	A	-0.1434
31	V	A	0.7584
32	A	A	-0.5011
33	D	A	-2.4883
34	E	A	-2.9443
35	K	A	-2.4447
36	I	A	-0.2043
37	H	A	-1.2605
38	N	A	-1.7340
39	P	A	-1.2934
40	P	A	-0.5536
41	P	A	-0.1557
42	V	A	0.5488
43	E	A	-1.3553
44	S	A	-1.3538
45	K	A	-1.7733
46	A	A	-0.0890
47	L	A	1.7821
48	A	A	1.7413
49	V	A	2.3855
50	V	A	1.4309
51	E	A	-1.0755
52	K	A	-1.8112
53	P	A	-1.0325
54	I	A	-0.0990
55	E	A	-2.2030
56	E	A	-2.7229
57	H	A	-2.5076
58	T	A	-1.7471
59	P	A	-1.7271
60	K	A	-2.7518
61	K	A	-2.6756
62	A	A	-1.5340
63	S	A	-0.8362
64	S	A	-1.4539
65	G	A	-2.0377
66	S	A	-1.8691
67	A	A	-1.5613
68	D	A	-2.2215
69	R	A	-2.4889
70	D	A	-1.6387
71	V	A	0.4168
72	I	A	0.7761
73	L	A	0.0943
74	A	A	-1.1431
75	D	A	-2.1957
76	L	A	-1.1957
77	E	A	-3.3943
78	K	A	-4.2314
79	E	A	-3.9484
80	K	A	-3.8504
81	K	A	-3.2361
82	T	A	-1.6183
83	S	A	-1.1357
84	F	A	0.8195
85	I	A	1.0807
86	K	A	-1.1034
87	A	A	-0.3239
88	W	A	0.3618
89	E	A	-1.9497
90	E	A	-2.9674
91	S	A	-2.2938
92	E	A	-3.1446
93	K	A	-4.0720
94	S	A	-3.5309
95	K	A	-3.9651
96	A	A	-3.5761
97	E	A	-4.5582
98	N	A	-4.5427
99	R	A	-4.5154
100	A	A	-3.3154
101	Q	A	-3.1536
102	K	A	-3.9211
103	K	A	-3.0089
104	I	A	-0.2237
105	S	A	-1.1871
106	D	A	-1.7789
107	V	A	0.3496
108	H	A	-0.9720
109	A	A	-0.8537
110	W	A	-0.1420
111	E	A	-1.8403
112	N	A	-2.2150
113	S	A	-1.5456
114	K	A	-2.4403
115	K	A	-2.5584
116	A	A	-1.5531
117	A	A	-1.0028
118	V	A	-0.4153
119	E	A	-1.8932
120	A	A	-1.6486
121	Q	A	-1.4280
122	L	A	-0.6045
123	R	A	-2.9837
124	K	A	-2.9117
125	I	A	-1.2560
126	E	A	-3.3072
127	E	A	-4.6641
128	K	A	-4.1320
129	L	A	-2.8922
130	E	A	-4.3512
131	K	A	-4.6373
132	K	A	-4.4961
133	K	A	-4.0834
134	A	A	-3.1483
135	Q	A	-3.3406
136	Y	A	-2.0353
137	G	A	-2.5761
138	E	A	-3.7346
139	K	A	-3.2805
140	M	A	-1.5497
141	K	A	-2.6303
142	N	A	-2.7601
143	K	A	-2.0917
144	V	A	0.1933
145	A	A	-0.5033
146	A	A	-0.1239
147	I	A	1.0548
148	H	A	-0.9478
149	K	A	-1.9946
150	L	A	-0.3321
151	A	A	-1.6383
152	E	A	-2.9643
153	E	A	-2.9087
154	K	A	-3.0400
155	R	A	-3.0440
156	A	A	-2.0017
157	M	A	-1.0033
158	V	A	-1.0788
159	E	A	-2.9203
160	A	A	-2.1065
161	K	A	-2.7181
162	K	A	-2.9278
163	G	A	-2.0539
164	E	A	-3.1357
165	E	A	-3.4525
166	L	A	-0.8774
167	L	A	-1.0369
168	K	A	-2.5911
169	A	A	-1.8027
170	E	A	-2.6402
171	E	A	-3.0937
172	M	A	-1.6893
173	G	A	-1.8044
174	A	A	-2.5157
175	K	A	-2.4409
176	Y	A	-0.7471
177	R	A	-1.8462
178	A	A	-1.1233
179	T	A	-0.3107
180	G	A	0.0687
181	V	A	1.6495
182	V	A	1.8087
183	P	A	0.2410
184	K	A	-0.9785
185	A	A	-0.4034
186	T	A	-0.1786
187	C	A	0.7321
188	G	A	0.6737
189	C	A	1.6509
190	F	A	2.2883