Project name: 4e52b211980b326

Chain sequence(s)	A: MSIVRRSNVFDPFADLWADPFDTFRSIVPAISGGSSETAAFANARVDWKETPEAHVFKVDLPGVKKEEVKVEVEDGNVLVVSGERSREKEDKNDKWHRVERSSGKFVRRFRLPEDAKVEEVKAGLENGVLTVTVPKAEVKKPEVKAIEISG
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: -5.3768
• Maximal score value: 2.8071
• Average score: -1.163
• Total score value: -175.6199

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	1.5128
2	S	A	1.2919
3	I	A	2.1992
4	V	A	1.1452
5	R	A	-1.4872
6	R	A	-2.3258
7	S	A	-1.5658
8	N	A	-1.6120
9	V	A	-0.3575
10	F	A	0.7945
11	D	A	0.5888
12	P	A	1.0062
13	F	A	1.8570
14	A	A	0.7741
15	D	A	-0.7786
16	L	A	0.7420
17	W	A	0.8960
18	A	A	-0.1743
19	D	A	-0.9554
20	P	A	0.0860
21	F	A	1.1065
22	D	A	-0.9193
23	T	A	0.5099
24	F	A	1.8425
25	R	A	-0.3165
26	S	A	0.6606
27	I	A	2.8071
28	V	A	2.3377
29	P	A	1.1395
30	A	A	1.2750
31	I	A	2.3456
32	S	A	0.6584
33	G	A	-0.1661
34	G	A	-0.0079
35	S	A	-0.4036
36	S	A	-0.7963
37	E	A	-1.3990
38	T	A	-0.5219
39	A	A	-0.4257
40	A	A	-0.8554
41	F	A	-0.4388
42	A	A	-0.5670
43	N	A	0.0000
44	A	A	0.0000
45	R	A	-2.5635
46	V	A	-2.3053
47	D	A	-2.9885
48	W	A	-2.1075
49	K	A	-3.0234
50	E	A	-2.9248
51	T	A	-2.0106
52	P	A	-1.8044
53	E	A	-2.6080
54	A	A	-1.8123
55	H	A	0.0000
56	V	A	-1.7749
57	F	A	0.0000
58	K	A	-2.6327
59	V	A	0.0000
60	D	A	-2.3100
61	L	A	0.0000
62	P	A	-1.3960
63	G	A	-1.9175
64	V	A	0.0000
65	K	A	-3.7235
66	K	A	-4.0258
67	E	A	-3.7336
68	E	A	-3.2154
69	V	A	-2.4280
70	K	A	-2.3471
71	V	A	-0.6867
72	E	A	-0.8419
73	V	A	-0.9442
74	E	A	-2.0042
75	D	A	-2.5082
76	G	A	-2.0321
77	N	A	-1.8891
78	V	A	0.0000
79	L	A	0.0000
80	V	A	0.0000
81	V	A	0.0000
82	S	A	-1.0209
83	G	A	-2.1817
84	E	A	-2.6494
85	R	A	-2.6529
86	S	A	-2.8613
87	R	A	-4.0831
88	E	A	-4.3837
89	K	A	-4.7472
90	E	A	-5.3768
91	D	A	-5.2882
92	K	A	-4.5270
93	N	A	-4.0302
94	D	A	-4.5897
95	K	A	-3.5819
96	W	A	-1.5938
97	H	A	-1.8408
98	R	A	-2.2247
99	V	A	-0.8245
100	E	A	-2.4469
101	R	A	-2.8564
102	S	A	-1.6741
103	S	A	-2.3124
104	G	A	-1.8135
105	K	A	-2.1370
106	F	A	0.0000
107	V	A	-0.4247
108	R	A	-0.2711
109	R	A	-0.4118
110	F	A	0.0000
111	R	A	-0.8480
112	L	A	0.0000
113	P	A	-1.1721
114	E	A	-2.2930
115	D	A	-1.4178
116	A	A	-1.9204
117	K	A	-1.9967
118	V	A	-1.6408
119	E	A	-2.4656
120	E	A	-2.3620
121	V	A	-1.4998
122	K	A	-1.9431
123	A	A	-0.9803
124	G	A	-1.2662
125	L	A	-1.7107
126	E	A	-2.5788
127	N	A	-2.1909
128	G	A	-1.9037
129	V	A	-1.5172
130	L	A	0.0000
131	T	A	-1.2944
132	V	A	0.0000
133	T	A	-1.3768
134	V	A	0.0000
135	P	A	-1.9248
136	K	A	-1.9096
137	A	A	-1.5275
138	E	A	-2.1563
139	V	A	-0.5733
140	K	A	-2.4542
141	K	A	-2.6354
142	P	A	-1.9314
143	E	A	-2.2254
144	V	A	0.0171
145	K	A	-1.0039
146	A	A	0.2174
147	I	A	1.4072
148	E	A	-0.1457
149	I	A	1.4374
150	S	A	0.3097
151	G	A	-0.2804