Project name: ef841e0cb412a25

Chain sequence(s)	A: MAVGILEVSLISGKGLKRSDFLGKIDPYVEIQYKGQTRKSSVAKEDGGRNPTWNDKLKWRAEFPGSGADYKLIVKVMDHDTFSSDDFIGEATVHVKELLEMGVEKGTAELRPTKYNIVDSDLSFVGELLIGVSYSLLQDRGMDGEQFGGWKHSQVD
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: -4.4073
• Maximal score value: 1.5152
• Average score: -0.9388
• Total score value: -146.4541

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	1.1285
2	A	A	0.6859
3	V	A	0.7015
4	G	A	0.0000
5	I	A	-0.4788
6	L	A	0.0000
7	E	A	-1.8228
8	V	A	0.0000
9	S	A	-1.3803
10	L	A	0.0000
11	I	A	-0.5237
12	S	A	-0.8872
13	G	A	0.0000
14	K	A	-3.3022
15	G	A	-2.4004
16	L	A	0.0000
17	K	A	-2.4183
18	R	A	-1.3963
19	S	A	-1.2261
20	D	A	-1.3594
21	F	A	0.2143
22	L	A	0.8864
23	G	A	-0.4535
24	K	A	-2.5090
25	I	A	0.0000
26	D	A	-2.0547
27	P	A	0.0000
28	Y	A	0.0000
29	V	A	0.0000
30	E	A	-1.3778
31	I	A	0.0000
32	Q	A	-1.2769
33	Y	A	0.0000
34	K	A	-2.0080
35	G	A	-1.3806
36	Q	A	-1.6807
37	T	A	-1.4916
38	R	A	-2.1125
39	K	A	-2.1900
40	S	A	-1.4911
41	S	A	-0.8931
42	V	A	-0.3791
43	A	A	0.0000
44	K	A	-3.0832
45	E	A	-3.9437
46	D	A	-4.0049
47	G	A	-3.2835
48	G	A	0.0000
49	R	A	-4.4073
50	N	A	-3.6850
51	P	A	0.0000
52	T	A	-1.5861
53	W	A	0.0000
54	N	A	-1.6057
55	D	A	-1.8293
56	K	A	-2.4844
57	L	A	-2.0206
58	K	A	-2.5608
59	W	A	0.0000
60	R	A	-2.1251
61	A	A	0.0000
62	E	A	-0.2947
63	F	A	-0.0658
64	P	A	-0.2657
65	G	A	-0.4158
66	S	A	-0.7027
67	G	A	-1.2058
68	A	A	-1.2724
69	D	A	-2.4566
70	Y	A	0.0000
71	K	A	-1.7619
72	L	A	0.0000
73	I	A	-0.3196
74	V	A	0.0000
75	K	A	-0.7212
76	V	A	0.0000
77	M	A	-0.4868
78	D	A	0.0000
79	H	A	-0.7171
80	D	A	-0.4668
81	T	A	0.3608
82	F	A	1.5152
83	S	A	0.1935
84	S	A	-0.4265
85	D	A	-0.8509
86	D	A	-0.7583
87	F	A	-0.1745
88	I	A	0.0000
89	G	A	0.0000
90	E	A	-0.3932
91	A	A	0.0000
92	T	A	-0.5283
93	V	A	0.0000
94	H	A	-2.0827
95	V	A	0.0000
96	K	A	-2.8422
97	E	A	-2.5550
98	L	A	0.0000
99	L	A	0.0000
100	E	A	-2.0037
101	M	A	-1.5581
102	G	A	0.0000
103	V	A	-0.7981
104	E	A	-2.3400
105	K	A	-2.3741
106	G	A	-1.2551
107	T	A	-1.0277
108	A	A	0.0000
109	E	A	-2.0370
110	L	A	-1.3997
111	R	A	-2.2861
112	P	A	-1.3377
113	T	A	-1.2974
114	K	A	-2.2747
115	Y	A	-1.3009
116	N	A	-1.4007
117	I	A	0.0000
118	V	A	0.7068
119	D	A	-0.1790
120	S	A	-0.4617
121	D	A	-0.9487
122	L	A	1.0358
123	S	A	0.7310
124	F	A	1.3835
125	V	A	0.0000
126	G	A	0.0000
127	E	A	-1.8237
128	L	A	0.0000
129	L	A	-1.0691
130	I	A	0.0000
131	G	A	0.0000
132	V	A	0.0000
133	S	A	-1.3289
134	Y	A	0.0000
135	S	A	-0.3232
136	L	A	-0.0588
137	L	A	-0.2133
138	Q	A	-1.9878
139	D	A	-2.8318
140	R	A	-3.1022
141	G	A	-2.1028
142	M	A	-1.1796
143	D	A	-2.5137
144	G	A	-2.0295
145	E	A	-2.5726
146	Q	A	-1.6759
147	F	A	0.6671
148	G	A	-0.1798
149	G	A	-0.7616
150	W	A	-0.0803
151	K	A	-2.0382
152	H	A	-1.8047
153	S	A	-1.4075
154	Q	A	-1.3579
155	V	A	0.1352
156	D	A	-1.1981