Project name: MEF

Chain sequence(s)	A: APKTYCEELKGTDTGQGGGGSATSSTPREAPYEGGGGSKQTGQQVSIAPNAGLDPVNGGGGSAPKTYCEELKGTDTGQGGGGSATSSTPREAPYEGGGGSDNAAVDASSGVEAAAG
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]                                                (00:00:01)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:42)

• Minimal score value: -2.9141
• Maximal score value: 2.0237
• Average score: -1.0561
• Total score value: -122.5099

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	A	A	-0.5077
2	P	A	-0.9036
3	K	A	-1.3952
4	T	A	-0.3461
5	Y	A	0.3756
6	C	A	-0.0489
7	E	A	-1.7924
8	E	A	-2.1248
9	L	A	-0.6684
10	K	A	-2.2768
11	G	A	-1.7295
12	T	A	-1.4929
13	D	A	-2.6021
14	T	A	-1.6686
15	G	A	-1.9209
16	Q	A	-2.0925
17	G	A	-1.6450
18	G	A	-1.4482
19	G	A	-1.2021
20	G	A	-0.8935
21	S	A	-0.6313
22	A	A	-0.3612
23	T	A	-0.3148
24	S	A	-0.4075
25	S	A	-0.6732
26	T	A	-0.9905
27	P	A	-1.6576
28	R	A	-2.9141
29	E	A	-2.6685
30	A	A	-1.1826
31	P	A	-0.5477
32	Y	A	-0.1108
33	E	A	-1.6472
34	G	A	-1.3318
35	G	A	-1.3852
36	G	A	-1.5432
37	G	A	-1.5958
38	S	A	-1.8042
39	K	A	-2.6931
40	Q	A	-2.6178
41	T	A	-1.9238
42	G	A	-1.6876
43	Q	A	-1.6925
44	Q	A	-1.0113
45	V	A	1.2134
46	S	A	1.1217
47	I	A	2.0237
48	A	A	0.6684
49	P	A	-0.3718
50	N	A	-1.1929
51	A	A	-0.7375
52	G	A	-0.4443
53	L	A	0.4223
54	D	A	-1.0947
55	P	A	-0.4140
56	V	A	0.4972
57	N	A	-1.0411
58	G	A	-1.1698
59	G	A	-1.1680
60	G	A	-1.2241
61	G	A	-1.0025
62	S	A	-0.8080
63	A	A	-0.8595
64	P	A	-1.0017
65	K	A	-1.3984
66	T	A	-0.3586
67	Y	A	0.2921
68	C	A	0.0116
69	E	A	-1.7657
70	E	A	-2.1396
71	L	A	-0.6983
72	K	A	-2.3036
73	G	A	-1.6802
74	T	A	-1.4849
75	D	A	-2.5498
76	T	A	-1.6751
77	G	A	-1.8430
78	Q	A	-2.0974
79	G	A	-1.6054
80	G	A	-1.5093
81	G	A	-1.2271
82	G	A	-0.9039
83	S	A	-0.6348
84	A	A	-0.3667
85	T	A	-0.3536
86	S	A	-0.4207
87	S	A	-0.7589
88	T	A	-1.1791
89	P	A	-1.8090
90	R	A	-2.9097
91	E	A	-2.5674
92	A	A	-1.4399
93	P	A	-1.0405
94	Y	A	-0.2550
95	E	A	-1.6337
96	G	A	-1.3696
97	G	A	-1.2543
98	G	A	-1.2792
99	G	A	-1.4807
100	S	A	-1.7590
101	D	A	-2.6054
102	N	A	-1.9757
103	A	A	-0.8051
104	A	A	0.1830
105	V	A	0.7446
106	D	A	-0.9219
107	A	A	-0.5089
108	S	A	-0.4509
109	S	A	-0.4946
110	G	A	-0.2041
111	V	A	0.5893
112	E	A	-1.0630
113	A	A	-0.4130
114	A	A	-0.2103
115	A	A	-0.1412
116	G	A	-0.4242