Project name: f99684fd419b19f

Chain sequence(s)	A: MARFSIVFAAAGVLLLVAMAPVSEASTTTIITTIIEENPYGRGRTESGCYQQMEEAEMLNHCGMYLMKNLGERSQVSPRMREEDHKQLCCMQLKNLDEKCMCPAIMMMLNEPMWIRMRDQVMSMAHNLPIECNLMSQPCQM
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: -3.6839
• Maximal score value: 4.0832
• Average score: -0.5104
• Total score value: -71.9609

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	0.9329
2	A	A	0.0232
3	R	A	-0.3485
4	F	A	1.7019
5	S	A	1.9662
6	I	A	3.5268
7	V	A	4.0832
8	F	A	3.3042
9	A	A	1.8860
10	A	A	1.3007
11	A	A	1.0266
12	G	A	1.1149
13	V	A	2.9098
14	L	A	3.8279
15	L	A	3.8991
16	L	A	4.0044
17	V	A	3.5738
18	A	A	2.1922
19	M	A	2.1017
20	A	A	1.2183
21	P	A	0.6313
22	V	A	1.2972
23	S	A	-0.3421
24	E	A	-1.6020
25	A	A	-0.7841
26	S	A	-0.8176
27	T	A	-0.1282
28	T	A	0.6352
29	T	A	1.4330
30	I	A	2.9005
31	I	A	3.1925
32	T	A	2.4451
33	T	A	2.2021
34	I	A	2.3485
35	I	A	1.2722
36	E	A	-1.4063
37	E	A	-2.3122
38	N	A	-2.3131
39	P	A	-1.3026
40	Y	A	-0.2007
41	G	A	-1.3910
42	R	A	-2.7581
43	G	A	-2.3409
44	R	A	-2.8379
45	T	A	-1.8615
46	E	A	-1.8992
47	S	A	-1.3624
48	G	A	-1.0799
49	C	A	0.0000
50	Y	A	-0.7152
51	Q	A	-2.1248
52	Q	A	-2.4709
53	M	A	0.0000
54	E	A	-3.6115
55	E	A	-3.6839
56	A	A	0.0000
57	E	A	-3.3115
58	M	A	-2.0553
59	L	A	0.0000
60	N	A	-1.7913
61	H	A	-1.0293
62	C	A	0.0000
63	G	A	0.0000
64	M	A	-0.5074
65	Y	A	0.0000
66	L	A	0.0000
67	M	A	-1.1359
68	K	A	-2.2273
69	N	A	-1.5582
70	L	A	-1.3620
71	G	A	-2.0287
72	E	A	-2.9602
73	R	A	-3.1723
74	S	A	-2.0942
75	Q	A	-1.8779
76	V	A	-1.0033
77	S	A	-1.1288
78	P	A	-1.6190
79	R	A	-2.3025
80	M	A	-2.0332
81	R	A	-3.5026
82	E	A	-3.6653
83	E	A	-3.6642
84	D	A	-3.0814
85	H	A	0.0000
86	K	A	-2.2942
87	Q	A	-1.8837
88	L	A	-0.8332
89	C	A	0.0000
90	C	A	-0.6811
91	M	A	-0.1354
92	Q	A	0.0000
93	L	A	0.0000
94	K	A	-2.4114
95	N	A	-2.5920
96	L	A	0.0000
97	D	A	-3.0604
98	E	A	-3.4264
99	K	A	-2.9196
100	C	A	0.0000
101	M	A	0.0000
102	C	A	-0.7363
103	P	A	-0.3447
104	A	A	0.0000
105	I	A	0.0000
106	M	A	-0.0055
107	M	A	-0.2305
108	M	A	0.0000
109	L	A	0.0000
110	N	A	-1.3298
111	E	A	-1.0446
112	P	A	-0.3901
113	M	A	0.3658
114	W	A	0.0000
115	I	A	-0.2706
116	R	A	-1.7582
117	M	A	-1.2880
118	R	A	-1.8875
119	D	A	-2.6520
120	Q	A	-2.3210
121	V	A	0.0000
122	M	A	-0.6742
123	S	A	-0.7710
124	M	A	-0.4956
125	A	A	0.0000
126	H	A	0.0000
127	N	A	-0.7522
128	L	A	0.0000
129	P	A	0.0000
130	I	A	-0.4778
131	E	A	-0.9909
132	C	A	-0.9996
133	N	A	-1.4020
134	L	A	-0.9496
135	M	A	-0.7438
136	S	A	-0.8462
137	Q	A	-1.4930
138	P	A	-0.9975
139	C	A	0.0000
140	Q	A	-0.8998
141	M	A	0.5177