Project name: 6321e766722fda4

Chain sequence(s)	A: MQEQATSSLAASSLPSSSERSSSSAPHLEIKEGIESDEEIRRVPEFGGEAVGKETSGRESGSATGQERTQATVGESQRKRGRTPAEKENKRLKRLLRNRVSAQQARERKKAYLSELENRVKDLENKNSELEERLSTLQNENQMLRHILKNTTGNKRGGGGGSNADASL
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[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: -5.1208
• Maximal score value: 1.391
• Average score: -1.9591
• Total score value: -329.1227

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	0.0246
2	Q	A	-1.8437
3	E	A	-2.7192
4	Q	A	-2.3832
5	A	A	-1.2103
6	T	A	-0.5280
7	S	A	-0.1162
8	S	A	0.5595
9	L	A	1.3910
10	A	A	0.6831
11	A	A	0.4484
12	S	A	0.2543
13	S	A	0.3731
14	L	A	1.2381
15	P	A	0.2832
16	S	A	-0.2138
17	S	A	-1.0975
18	S	A	-1.6296
19	E	A	-2.9683
20	R	A	-2.9965
21	S	A	-1.7582
22	S	A	-1.0537
23	S	A	-0.6632
24	S	A	-0.5224
25	A	A	-0.2649
26	P	A	-0.5796
27	H	A	-0.6041
28	L	A	0.4787
29	E	A	-1.1765
30	I	A	0.0720
31	K	A	-1.8557
32	E	A	-2.3524
33	G	A	-1.1654
34	I	A	-0.0868
35	E	A	-2.1333
36	S	A	-2.1393
37	D	A	-3.4569
38	E	A	-4.2660
39	E	A	-3.5207
40	I	A	-1.2953
41	R	A	-2.8664
42	R	A	-2.7393
43	V	A	0.1383
44	P	A	-0.2826
45	E	A	-0.9798
46	F	A	0.6937
47	G	A	-0.6501
48	G	A	-1.2230
49	E	A	-1.6005
50	A	A	-0.2161
51	V	A	0.7432
52	G	A	-1.0352
53	K	A	-2.4889
54	E	A	-2.9182
55	T	A	-1.7290
56	S	A	-1.3393
57	G	A	-2.1854
58	R	A	-3.1228
59	E	A	-3.0312
60	S	A	-1.7676
61	G	A	-1.2500
62	S	A	-0.4704
63	A	A	-0.2742
64	T	A	-0.6112
65	G	A	-1.5573
66	Q	A	-2.7597
67	E	A	-3.5847
68	R	A	-3.3593
69	T	A	-1.9764
70	Q	A	-1.6960
71	A	A	-0.4254
72	T	A	0.2642
73	V	A	0.9454
74	G	A	-0.9163
75	E	A	-2.7295
76	S	A	-2.1693
77	Q	A	-3.3817
78	R	A	-4.1904
79	K	A	-4.4415
80	R	A	-3.9003
81	G	A	-3.2285
82	R	A	-3.7181
83	T	A	-2.3937
84	P	A	-2.1723
85	A	A	-2.6247
86	E	A	-3.7802
87	K	A	-4.7437
88	E	A	-4.8779
89	N	A	-4.2006
90	K	A	-4.8365
91	R	A	-4.0707
92	L	A	-1.9869
93	K	A	-3.4212
94	R	A	-3.5118
95	L	A	-0.9515
96	L	A	-0.3547
97	R	A	-2.3113
98	N	A	-2.4684
99	R	A	-2.2345
100	V	A	-0.7171
101	S	A	-1.6988
102	A	A	-2.4224
103	Q	A	-3.4944
104	Q	A	-3.7066
105	A	A	-3.5605
106	R	A	-4.7605
107	E	A	-5.1208
108	R	A	-4.5824
109	K	A	-4.3551
110	K	A	-3.8052
111	A	A	-2.3577
112	Y	A	-1.0293
113	L	A	-0.9961
114	S	A	-1.7977
115	E	A	-2.5614
116	L	A	-1.4590
117	E	A	-2.9966
118	N	A	-3.8043
119	R	A	-3.7011
120	V	A	-2.5334
121	K	A	-4.4587
122	D	A	-4.3081
123	L	A	-2.5381
124	E	A	-3.9929
125	N	A	-4.3200
126	K	A	-4.0374
127	N	A	-4.0086
128	S	A	-3.3006
129	E	A	-3.3323
130	L	A	-2.0069
131	E	A	-2.9844
132	E	A	-3.3362
133	R	A	-2.3863
134	L	A	-0.5206
135	S	A	-1.5834
136	T	A	-1.5046
137	L	A	-0.7230
138	Q	A	-1.9798
139	N	A	-2.4885
140	E	A	-2.1301
141	N	A	-2.3809
142	Q	A	-2.3846
143	M	A	-0.7821
144	L	A	-0.2319
145	R	A	-2.0478
146	H	A	-1.4739
147	I	A	0.5254
148	L	A	0.2117
149	K	A	-1.9362
150	N	A	-1.9549
151	T	A	-1.6589
152	T	A	-2.0676
153	G	A	-2.7646
154	N	A	-3.4106
155	K	A	-3.8357
156	R	A	-3.6900
157	G	A	-2.7293
158	G	A	-2.3456
159	G	A	-1.8599
160	G	A	-1.5410
161	G	A	-1.2707
162	S	A	-1.4508
163	N	A	-1.9382
164	A	A	-1.6079
165	D	A	-1.9469
166	A	A	-0.6968
167	S	A	0.0589
168	L	A	1.2551