Project name: MEF [mutate: VA111A, YS5A, VS45A, ST46A, IY47A, AS48A, LT53A, VT56A, YT67A, CV68A, AY104A, VS105A]

Chain sequence(s)	A: APKTYCEELKGTDTGQGGGGSATSSTPREAPYEGGGGSKQTGQQVSIAPNAGLDPVNGGGGSAPKTYCEELKGTDTGQGGGGSATSSTPREAPYEGGGGSDNAAVDASSGVEAAAG
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No
Mutated residues	VA111A,AY104A,VS105A,CV68A,YT67A,ST46A,IY47A,LT53A,VS45A,YS5A,VT56A,AS48A
Energy difference between WT (input) and mutated protein (by FoldX)	0.110091 kcal/mol

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]       FoldX:    Building mutant model                                                       (00:00:19)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:30)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)

• Minimal score value: -2.9141
• Maximal score value: 0.7546
• Average score: -1.3006
• Total score value: -150.8698

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	-1.0968
3	K	A	-1.8142
4	T	A	-1.0879
5	S	A	-1.1525	mutated: YS5A
6	C	A	-0.7643
7	E	A	-2.2130
8	E	A	-2.3336
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	-1.9465
43	Q	A	-2.2592
44	Q	A	-1.9961
45	S	A	-0.9140	mutated: VS45A
46	T	A	-0.0768	mutated: ST46A
47	Y	A	0.7546	mutated: IY47A
48	S	A	-0.1142	mutated: AS48A
49	P	A	-0.6836
50	N	A	-1.3627
51	A	A	-1.1183
52	G	A	-1.2773
53	T	A	-1.1963	mutated: LT53A
54	D	A	-2.2265
55	P	A	-1.6406
56	T	A	-1.3465	mutated: VT56A
57	N	A	-1.9675
58	G	A	-1.5805
59	G	A	-1.3746
60	G	A	-1.2241
61	G	A	-1.0025
62	S	A	-0.8080
63	A	A	-0.8595
64	P	A	-1.1839
65	K	A	-1.6580
66	T	A	-0.7512
67	T	A	-0.5900	mutated: YT67A
68	V	A	0.3817	mutated: CV68A
69	E	A	-1.6851
70	E	A	-2.0613
71	L	A	-0.5239
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	-1.9181
103	A	A	-0.5912
104	Y	A	0.4225	mutated: AY104A
105	S	A	-0.5971	mutated: VS105A
106	D	A	-1.5631
107	A	A	-0.9560
108	S	A	-0.9351
109	S	A	-0.9684
110	G	A	-1.0658
111	A	A	-1.1250	mutated: VA111A
112	E	A	-1.8945
113	A	A	-0.8280
114	A	A	-0.3829
115	A	A	-0.1412
116	G	A	-0.4242