Project name: 3eb5e37f5269ad5

Chain sequence(s)	A: MQGGKKAGESIKETATNIGASAKAGMEKTKATVQEKAERMTARDPVQKELATQKKEAKMNQAELDKQAARQHNTAAKQSATTAGHMGHGHHTTGTGTGTATYSTTGEYGQPMGAHQTSAMPGHGTGQPTGHVTEGVVGSHPIGTNRGPGGTATAHNTRAGGKPNDYGYGTGGT
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: -4.3174
• Maximal score value: 1.8461
• Average score: -1.522
• Total score value: -263.3133

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	0.0921
2	Q	A	-1.6668
3	G	A	-1.8584
4	G	A	-2.2097
5	K	A	-3.5068
6	K	A	-3.3874
7	A	A	-2.0565
8	G	A	-2.4685
9	E	A	-3.3216
10	S	A	-1.9370
11	I	A	-0.3900
12	K	A	-2.5271
13	E	A	-2.6524
14	T	A	-1.0631
15	A	A	-0.4990
16	T	A	-0.8990
17	N	A	-1.1417
18	I	A	0.6792
19	G	A	-0.3311
20	A	A	-0.6475
21	S	A	-0.5755
22	A	A	-0.8832
23	K	A	-1.9941
24	A	A	-1.7390
25	G	A	-1.7211
26	M	A	-1.5215
27	E	A	-3.1022
28	K	A	-2.9990
29	T	A	-1.9068
30	K	A	-2.8317
31	A	A	-2.4299
32	T	A	-2.1250
33	V	A	-1.4359
34	Q	A	-3.0639
35	E	A	-3.9272
36	K	A	-3.4677
37	A	A	-2.4481
38	E	A	-3.8254
39	R	A	-4.0451
40	M	A	-1.6292
41	T	A	-1.9272
42	A	A	-2.8277
43	R	A	-3.2426
44	D	A	-3.3791
45	P	A	-1.8400
46	V	A	-0.4933
47	Q	A	-2.2084
48	K	A	-3.4098
49	E	A	-2.6919
50	L	A	-1.1509
51	A	A	-2.2277
52	T	A	-2.9853
53	Q	A	-3.6011
54	K	A	-3.9430
55	K	A	-4.3174
56	E	A	-4.0398
57	A	A	-3.4701
58	K	A	-3.7244
59	M	A	-2.3899
60	N	A	-2.8589
61	Q	A	-2.9576
62	A	A	-2.2471
63	E	A	-2.2210
64	L	A	-1.3905
65	D	A	-2.9219
66	K	A	-3.3203
67	Q	A	-2.9982
68	A	A	-2.5264
69	A	A	-2.9353
70	R	A	-3.8530
71	Q	A	-3.6968
72	H	A	-3.3323
73	N	A	-3.5019
74	T	A	-2.8009
75	A	A	-2.3110
76	A	A	-2.3257
77	K	A	-2.9988
78	Q	A	-2.4573
79	S	A	-1.5196
80	A	A	-1.3433
81	T	A	-1.2919
82	T	A	-0.9405
83	A	A	-0.7271
84	G	A	-1.2159
85	H	A	-1.0134
86	M	A	-0.1091
87	G	A	-1.0903
88	H	A	-1.5855
89	G	A	-1.7457
90	H	A	-2.0320
91	H	A	-1.6836
92	T	A	-1.0058
93	T	A	-0.6132
94	G	A	-0.7939
95	T	A	-0.5610
96	G	A	-0.7788
97	T	A	-0.6072
98	G	A	-0.6371
99	T	A	-0.2191
100	A	A	0.2110
101	T	A	0.4683
102	Y	A	1.1597
103	S	A	0.2703
104	T	A	-0.2381
105	T	A	-0.5412
106	G	A	-1.1926
107	E	A	-1.5378
108	Y	A	-0.1497
109	G	A	-0.7780
110	Q	A	-1.1120
111	P	A	-0.6589
112	M	A	0.2554
113	G	A	-0.5258
114	A	A	-0.7443
115	H	A	-1.6176
116	Q	A	-1.8330
117	T	A	-0.8581
118	S	A	-0.3849
119	A	A	0.1618
120	M	A	0.7951
121	P	A	-0.2349
122	G	A	-0.9702
123	H	A	-1.5757
124	G	A	-1.4189
125	T	A	-1.1766
126	G	A	-1.4178
127	Q	A	-1.6973
128	P	A	-1.2529
129	T	A	-1.0313
130	G	A	-0.8111
131	H	A	-0.6327
132	V	A	0.6586
133	T	A	-0.4813
134	E	A	-1.1687
135	G	A	0.1356
136	V	A	1.8312
137	V	A	1.8461
138	G	A	0.5515
139	S	A	-0.1514
140	H	A	-0.6366
141	P	A	-0.0193
142	I	A	1.1922
143	G	A	-0.3505
144	T	A	-1.0288
145	N	A	-2.1909
146	R	A	-2.9386
147	G	A	-2.0379
148	P	A	-1.4146
149	G	A	-1.1475
150	G	A	-1.0634
151	T	A	-0.4306
152	A	A	-0.3158
153	T	A	-0.4889
154	A	A	-0.7680
155	H	A	-1.9436
156	N	A	-2.1977
157	T	A	-1.9025
158	R	A	-2.3961
159	A	A	-1.4431
160	G	A	-1.4392
161	G	A	-1.6955
162	K	A	-2.6245
163	P	A	-2.1183
164	N	A	-2.4344
165	D	A	-2.0466
166	Y	A	0.1382
167	G	A	0.0623
168	Y	A	0.8770
169	G	A	0.1321
170	T	A	-0.3583
171	G	A	-0.7078
172	G	A	-0.8291
173	T	A	-0.3965