Project name: a1f85c2dd10e9c3

Chain sequence(s)	A: MASHQEQSYKAGETRGKAQEKTGEAMGTMGDKTQAAKDKTQETAQSAQQKAHETAQSAKDKTSQAAQTTQERAQESKDKTGSYMSETGEAIKNKAHDAAEYTKETAEAGKEKTSGILGQTGEQVKQMAMGATDAVKHTLGLRTDEGNKEHVSSAPSTTTTTTTRETQRK
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: -5.3103
• Maximal score value: 1.0413
• Average score: -2.2871
• Total score value: -386.5136

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	0.7054
2	A	A	-0.3521
3	S	A	-1.3356
4	H	A	-2.2743
5	Q	A	-2.6459
6	E	A	-3.2821
7	Q	A	-2.8665
8	S	A	-1.8003
9	Y	A	-1.1272
10	K	A	-2.6182
11	A	A	-2.0187
12	G	A	-2.3457
13	E	A	-3.3991
14	T	A	-3.0943
15	R	A	-4.0044
16	G	A	-3.9337
17	K	A	-4.3195
18	A	A	-3.4739
19	Q	A	-4.0796
20	E	A	-4.7122
21	K	A	-4.0311
22	T	A	-2.6432
23	G	A	-2.5808
24	E	A	-2.8719
25	A	A	-1.0993
26	M	A	-0.1236
27	G	A	-1.1691
28	T	A	-1.0796
29	M	A	-0.4197
30	G	A	-1.4422
31	D	A	-3.0392
32	K	A	-3.0232
33	T	A	-2.5414
34	Q	A	-3.6013
35	A	A	-3.3100
36	A	A	-3.1019
37	K	A	-4.4908
38	D	A	-4.6583
39	K	A	-4.2516
40	T	A	-3.4757
41	Q	A	-4.0917
42	E	A	-4.2991
43	T	A	-2.7321
44	A	A	-2.5534
45	Q	A	-3.2410
46	S	A	-2.7058
47	A	A	-2.4360
48	Q	A	-3.4651
49	Q	A	-3.8082
50	K	A	-3.8903
51	A	A	-2.9245
52	H	A	-3.5157
53	E	A	-4.0248
54	T	A	-2.6613
55	A	A	-2.5386
56	Q	A	-3.6641
57	S	A	-2.9466
58	A	A	-2.6615
59	K	A	-3.8686
60	D	A	-3.9849
61	K	A	-3.7418
62	T	A	-2.6805
63	S	A	-2.6470
64	Q	A	-3.0488
65	A	A	-1.9843
66	A	A	-2.1629
67	Q	A	-3.0652
68	T	A	-2.6134
69	T	A	-2.7700
70	Q	A	-3.8278
71	E	A	-4.7660
72	R	A	-4.7343
73	A	A	-3.9150
74	Q	A	-4.9897
75	E	A	-5.3103
76	S	A	-4.1594
77	K	A	-4.4640
78	D	A	-4.7188
79	K	A	-3.7534
80	T	A	-2.0895
81	G	A	-1.9847
82	S	A	-0.3195
83	Y	A	0.7304
84	M	A	0.0468
85	S	A	-1.1043
86	E	A	-1.8679
87	T	A	-1.0388
88	G	A	-1.7838
89	E	A	-2.8884
90	A	A	-1.8147
91	I	A	-1.0160
92	K	A	-3.2630
93	N	A	-3.6125
94	K	A	-3.4392
95	A	A	-2.4103
96	H	A	-3.0964
97	D	A	-3.6424
98	A	A	-2.2954
99	A	A	-2.1492
100	E	A	-2.7736
101	Y	A	-1.3200
102	T	A	-1.8609
103	K	A	-3.3184
104	E	A	-3.6025
105	T	A	-2.5821
106	A	A	-2.9716
107	E	A	-4.1757
108	A	A	-3.4555
109	G	A	-3.0176
110	K	A	-3.9506
111	E	A	-3.8809
112	K	A	-2.8341
113	T	A	-1.4266
114	S	A	-1.2569
115	G	A	-0.6413
116	I	A	1.0413
117	L	A	0.9563
118	G	A	-0.5283
119	Q	A	-1.2377
120	T	A	-0.6380
121	G	A	-0.9253
122	E	A	-2.6008
123	Q	A	-1.9864
124	V	A	-0.1201
125	K	A	-2.0875
126	Q	A	-1.6563
127	M	A	-0.0231
128	A	A	-0.2115
129	M	A	-0.2330
130	G	A	-0.4871
131	A	A	-0.2566
132	T	A	-0.5455
133	D	A	-1.6175
134	A	A	-0.5498
135	V	A	0.6919
136	K	A	-1.2213
137	H	A	-1.3477
138	T	A	0.1470
139	L	A	0.9382
140	G	A	-0.0168
141	L	A	0.2276
142	R	A	-2.1911
143	T	A	-2.1856
144	D	A	-3.2871
145	E	A	-3.6531
146	G	A	-2.8065
147	N	A	-3.4071
148	K	A	-3.6668
149	E	A	-3.1088
150	H	A	-1.5616
151	V	A	0.5005
152	S	A	0.2369
153	S	A	0.0225
154	A	A	-0.2606
155	P	A	-0.3924
156	S	A	-0.3858
157	T	A	-0.3034
158	T	A	-0.2128
159	T	A	-0.2080
160	T	A	-0.1937
161	T	A	-0.4127
162	T	A	-0.9430
163	T	A	-1.5629
164	R	A	-2.9890
165	E	A	-3.3442
166	T	A	-2.7627
167	Q	A	-3.3103
168	R	A	-3.5206
169	K	A	-2.9109