Project name: 9b049edbaa9298c

Chain sequence(s)	A: MQSMKETASNIAASAKSGMDKTKATLEEKAEKMKTRDPVQKQMATQVKEDKINQAEMQKRETRQHNAAMKEAAGAGTGLGLGTATHSTTGQVGHGTGTHQMSALPGHGTGQLTDRVVEGTAVTDPIGRNTGTGRTTAHNTHVGGGGATGYGTGGGYTG
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: -5.3443
• Maximal score value: 1.3971
• Average score: -1.4064
• Total score value: -222.2144

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	0.3993
2	Q	A	-1.3744
3	S	A	-1.0896
4	M	A	-0.5783
5	K	A	-2.5413
6	E	A	-2.7809
7	T	A	-1.2668
8	A	A	-0.6757
9	S	A	-1.1050
10	N	A	-1.1267
11	I	A	0.8281
12	A	A	0.1039
13	A	A	-0.4955
14	S	A	-0.3102
15	A	A	-0.6046
16	K	A	-1.9544
17	S	A	-1.6883
18	G	A	-1.7945
19	M	A	-1.5799
20	D	A	-3.1237
21	K	A	-3.1116
22	T	A	-2.0037
23	K	A	-2.9341
24	A	A	-2.5367
25	T	A	-2.1180
26	L	A	-1.7481
27	E	A	-3.3966
28	E	A	-3.9459
29	K	A	-3.6620
30	A	A	-2.9089
31	E	A	-4.3846
32	K	A	-4.1959
33	M	A	-2.4151
34	K	A	-3.4480
35	T	A	-3.2740
36	R	A	-3.6576
37	D	A	-3.3643
38	P	A	-1.7515
39	V	A	-0.3784
40	Q	A	-2.1134
41	K	A	-2.6266
42	Q	A	-1.7979
43	M	A	-0.2276
44	A	A	-1.0750
45	T	A	-2.0801
46	Q	A	-2.0418
47	V	A	-0.8568
48	K	A	-2.6681
49	E	A	-3.0910
50	D	A	-3.2162
51	K	A	-3.0238
52	I	A	-1.4855
53	N	A	-2.9081
54	Q	A	-3.3383
55	A	A	-2.7796
56	E	A	-3.4150
57	M	A	-2.7751
58	Q	A	-3.9464
59	K	A	-5.0407
60	R	A	-5.3443
61	E	A	-5.1145
62	T	A	-4.4168
63	R	A	-5.0219
64	Q	A	-4.5140
65	H	A	-3.8501
66	N	A	-3.5959
67	A	A	-2.8521
68	A	A	-1.9867
69	M	A	-1.4647
70	K	A	-3.0458
71	E	A	-2.7372
72	A	A	-1.3051
73	A	A	-1.3650
74	G	A	-1.7428
75	A	A	-1.1550
76	G	A	-1.0308
77	T	A	-0.4632
78	G	A	0.1040
79	L	A	1.3366
80	G	A	0.7645
81	L	A	1.3971
82	G	A	0.3178
83	T	A	-0.0917
84	A	A	-0.3727
85	T	A	-0.6669
86	H	A	-1.1406
87	S	A	-0.8263
88	T	A	-0.5360
89	T	A	-0.6360
90	G	A	-0.7974
91	Q	A	-0.6683
92	V	A	0.6397
93	G	A	-0.4321
94	H	A	-1.1200
95	G	A	-1.2221
96	T	A	-0.8990
97	G	A	-1.1529
98	T	A	-1.0262
99	H	A	-1.5506
100	Q	A	-1.3042
101	M	A	0.1547
102	S	A	0.2600
103	A	A	0.9309
104	L	A	1.3112
105	P	A	0.0669
106	G	A	-0.8716
107	H	A	-1.5673
108	G	A	-1.3822
109	T	A	-1.0102
110	G	A	-1.0139
111	Q	A	-0.9541
112	L	A	0.1594
113	T	A	-0.7564
114	D	A	-1.8440
115	R	A	-1.4317
116	V	A	0.7087
117	V	A	0.9513
118	E	A	-0.9163
119	G	A	-0.5089
120	T	A	-0.0509
121	A	A	0.3226
122	V	A	1.1594
123	T	A	0.1403
124	D	A	-0.8903
125	P	A	-0.3889
126	I	A	0.5509
127	G	A	-1.0968
128	R	A	-2.3694
129	N	A	-2.3384
130	T	A	-1.5741
131	G	A	-1.5672
132	T	A	-1.1247
133	G	A	-1.7274
134	R	A	-2.1866
135	T	A	-1.2128
136	T	A	-1.0203
137	A	A	-1.0026
138	H	A	-1.7453
139	N	A	-1.7855
140	T	A	-1.0996
141	H	A	-0.6734
142	V	A	0.7109
143	G	A	-0.2083
144	G	A	-0.8257
145	G	A	-0.8949
146	G	A	-0.9344
147	A	A	-0.2883
148	T	A	-0.1384
149	G	A	-0.0181
150	Y	A	0.8346
151	G	A	-0.0990
152	T	A	-0.4652
153	G	A	-0.9378
154	G	A	-0.6569
155	G	A	-0.2814
156	Y	A	0.8206
157	T	A	0.1688
158	G	A	-0.2167