Project name: eMA

Chain sequence(s)	A: MFDASNFKDFSSIASASSSWQNQHGSTMIIQVDSFGNVSGQYVNRAEGTGCQNSPYPLTGRVNGTFIDFSVKWNNSTENCNSNTQWTGYAQVNGNNTEIVTRWNLKYEGGSGPAIWQGQDTFQYVPTTE
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -2.7173
• Maximal score value: 1.7254
• Average score: -0.821
• Total score value: -105.906

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index	residue name	chain	Aggrescan3D score	mutation
1	M	A	1.6473
2	F	A	1.7254
3	D	A	-0.2093
4	A	A	-0.1767
5	S	A	-0.5636
6	N	A	-1.0210
7	F	A	-0.3988
8	K	A	-0.8630
9	D	A	-1.4003
10	F	A	0.0000
11	S	A	-1.2959
12	S	A	-0.8544
13	I	A	0.0000
14	A	A	0.0000
15	S	A	-0.9230
16	A	A	-0.6166
17	S	A	-0.5193
18	S	A	0.0000
19	S	A	-0.0565
20	W	A	0.0000
21	Q	A	-0.8701
22	N	A	0.0000
23	Q	A	-1.8992
24	H	A	-1.7729
25	G	A	-1.3528
26	S	A	0.0000
27	T	A	-0.7066
28	M	A	0.0000
29	I	A	-0.0346
30	I	A	0.0000
31	Q	A	-1.5972
32	V	A	-1.1941
33	D	A	-1.0945
34	S	A	0.1208
35	F	A	1.0364
36	G	A	-0.6844
37	N	A	-1.2480
38	V	A	0.0000
39	S	A	-1.2025
40	G	A	-0.7604
41	Q	A	-0.7621
42	Y	A	0.0000
43	V	A	0.0000
44	N	A	0.0000
45	R	A	-2.2896
46	A	A	-2.1388
47	E	A	-2.5373
48	G	A	-1.6352
49	T	A	-1.2873
50	G	A	-1.6568
51	C	A	0.0000
52	Q	A	-2.2473
53	N	A	-1.9717
54	S	A	-1.4105
55	P	A	-1.0157
56	Y	A	0.0000
57	P	A	-1.0176
58	L	A	0.0000
59	T	A	-1.1998
60	G	A	-1.4192
61	R	A	-1.7507
62	V	A	0.0000
63	N	A	-1.2114
64	G	A	-0.9708
65	T	A	-0.0734
66	F	A	0.7975
67	I	A	0.0000
68	D	A	-1.4017
69	F	A	0.0000
70	S	A	-1.1696
71	V	A	0.0000
72	K	A	-2.3387
73	W	A	0.0000
74	N	A	-2.5647
75	N	A	-1.7377
76	S	A	-1.0913
77	T	A	-1.2503
78	E	A	-2.3766
79	N	A	-2.4538
80	C	A	-1.9085
81	N	A	-2.4701
82	S	A	-1.6912
83	N	A	-1.4513
84	T	A	0.0000
85	Q	A	-1.8808
86	W	A	0.0000
87	T	A	-0.9875
88	G	A	0.0000
89	Y	A	0.6366
90	A	A	0.0000
91	Q	A	-0.4580
92	V	A	-1.2615
93	N	A	-2.0538
94	G	A	-1.8876
95	N	A	-2.0603
96	N	A	-1.7587
97	T	A	-1.0723
98	E	A	-0.8241
99	I	A	0.0000
100	V	A	-0.1355
101	T	A	0.0000
102	R	A	-2.7173
103	W	A	-1.8127
104	N	A	-1.0574
105	L	A	-0.4275
106	K	A	-1.1701
107	Y	A	-0.8656
108	E	A	-2.1084
109	G	A	-1.1381
110	G	A	-1.0722
111	S	A	-0.9160
112	G	A	-0.8650
113	P	A	-0.9563
114	A	A	-0.0568
115	I	A	1.1466
116	W	A	0.9729
117	Q	A	-1.2516
118	G	A	-1.4216
119	Q	A	-2.2885
120	D	A	0.0000
121	T	A	-0.9990
122	F	A	0.0000
123	Q	A	-1.0778
124	Y	A	-0.1052
125	V	A	0.2548
126	P	A	-0.2698
127	T	A	-0.5759
128	T	A	-0.9861
129	E	A	-1.9089