Project name: 2f1c357a9aa4f29

Chain sequence(s)	A: MASYQNRPGGQATDEYGNPIQQQYDEYGNPMGGGGYGTGGGGGATGGQGYGTGGQGYGSGGQGYGTGGQGYGTGTGTEGFGTGGGARHHGQEQLHKESGGGLGGMLHRSGSGSSSSSEDDGQGGRRKKGITQKIKEKLPGHHDQSGQAQAMGGMGSGYDAGGYGGEHHEKKGMMDKIKEKLPGGGR
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: -4.2868
• Maximal score value: 1.1839
• Average score: -1.3224
• Total score value: -245.9577

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	1.1839
2	A	A	0.6579
3	S	A	0.1914
4	Y	A	0.1257
5	Q	A	-1.7797
6	N	A	-2.6149
7	R	A	-3.0925
8	P	A	-2.1708
9	G	A	-1.8589
10	G	A	-2.0853
11	Q	A	-1.9593
12	A	A	-1.0227
13	T	A	-1.1675
14	D	A	-1.3892
15	E	A	-1.6760
16	Y	A	-0.2245
17	G	A	-1.0105
18	N	A	-1.5721
19	P	A	-1.1307
20	I	A	-0.2945
21	Q	A	-1.1918
22	Q	A	-1.2477
23	Q	A	-1.3729
24	Y	A	-0.4512
25	D	A	-0.8807
26	E	A	-1.4707
27	Y	A	0.0347
28	G	A	-0.7718
29	N	A	-1.2708
30	P	A	-1.0972
31	M	A	-0.4412
32	G	A	-0.8888
33	G	A	-0.9146
34	G	A	-0.7147
35	G	A	-0.4029
36	Y	A	0.6093
37	G	A	-0.3283
38	T	A	-0.3983
39	G	A	-0.8618
40	G	A	-1.1894
41	G	A	-1.1645
42	G	A	-1.0997
43	G	A	-0.9281
44	A	A	-0.5966
45	T	A	-0.7891
46	G	A	-1.1597
47	G	A	-1.2705
48	Q	A	-1.5184
49	G	A	-0.7820
50	Y	A	0.4246
51	G	A	-0.3843
52	T	A	-0.3312
53	G	A	-1.0118
54	G	A	-1.3405
55	Q	A	-1.4722
56	G	A	-0.7436
57	Y	A	0.4083
58	G	A	-0.3721
59	S	A	-0.6737
60	G	A	-1.1901
61	G	A	-1.3674
62	Q	A	-1.5174
63	G	A	-0.7707
64	Y	A	0.3928
65	G	A	-0.3748
66	T	A	-0.4834
67	G	A	-1.0806
68	G	A	-1.3404
69	Q	A	-1.5044
70	G	A	-0.7809
71	Y	A	0.4275
72	G	A	-0.3203
73	T	A	-0.3377
74	G	A	-0.6564
75	T	A	-0.8370
76	G	A	-1.3188
77	T	A	-1.1702
78	E	A	-1.7581
79	G	A	-0.6491
80	F	A	0.8914
81	G	A	-0.1435
82	T	A	-0.2602
83	G	A	-0.7338
84	G	A	-1.2007
85	G	A	-1.4401
86	A	A	-1.5844
87	R	A	-2.7623
88	H	A	-2.7013
89	H	A	-2.5536
90	G	A	-2.4220
91	Q	A	-2.7710
92	E	A	-2.9226
93	Q	A	-2.0329
94	L	A	-0.7223
95	H	A	-1.9374
96	K	A	-2.9002
97	E	A	-3.0057
98	S	A	-1.9869
99	G	A	-1.4610
100	G	A	-0.8953
101	G	A	-0.2813
102	L	A	0.9400
103	G	A	0.2924
104	G	A	0.4568
105	M	A	1.0847
106	L	A	0.8016
107	H	A	-1.0282
108	R	A	-1.9727
109	S	A	-1.5389
110	G	A	-1.4687
111	S	A	-1.0049
112	G	A	-0.8467
113	S	A	-0.6964
114	S	A	-0.6020
115	S	A	-0.7082
116	S	A	-1.1160
117	S	A	-1.9748
118	E	A	-3.4410
119	D	A	-3.9959
120	D	A	-3.8637
121	G	A	-2.8805
122	Q	A	-2.8460
123	G	A	-2.6809
124	G	A	-2.7749
125	R	A	-4.0108
126	R	A	-4.2868
127	K	A	-3.8356
128	K	A	-3.2071
129	G	A	-1.6563
130	I	A	0.4103
131	T	A	-0.5433
132	Q	A	-2.1332
133	K	A	-1.9524
134	I	A	-0.3322
135	K	A	-2.4448
136	E	A	-3.2424
137	K	A	-2.3425
138	L	A	-0.5131
139	P	A	-1.1029
140	G	A	-1.7673
141	H	A	-2.8653
142	H	A	-2.9631
143	D	A	-3.3860
144	Q	A	-3.0127
145	S	A	-2.0594
146	G	A	-1.9238
147	Q	A	-1.9734
148	A	A	-1.2392
149	Q	A	-1.2898
150	A	A	-0.2441
151	M	A	0.5851
152	G	A	-0.0851
153	G	A	-0.1308
154	M	A	0.4871
155	G	A	-0.2188
156	S	A	-0.2878
157	G	A	-0.3522
158	Y	A	0.0554
159	D	A	-1.4463
160	A	A	-0.8395
161	G	A	-0.7231
162	G	A	-0.3963
163	Y	A	0.3649
164	G	A	-0.9553
165	G	A	-1.7725
166	E	A	-3.0241
167	H	A	-3.6586
168	H	A	-3.8551
169	E	A	-3.8747
170	K	A	-3.5995
171	K	A	-3.5205
172	G	A	-2.1242
173	M	A	-0.8946
174	M	A	-1.2470
175	D	A	-3.1690
176	K	A	-2.5441
177	I	A	-0.4352
178	K	A	-2.5567
179	E	A	-3.3648
180	K	A	-2.4895
181	L	A	-0.4832
182	P	A	-0.9331
183	G	A	-1.4429
184	G	A	-1.8038
185	G	A	-1.7703
186	R	A	-2.2589