Project name: Mb5-11_LIFFVF

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRITYGETGGNSPVQEFTVPGSKSTATFSGLKPGVDYTFTVYAVTWYPRYGYGESGPVSFNYRTELDKPSQ
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                                          (00:01:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:06)

• Minimal score value: -3.0313
• Maximal score value: 1.508
• Average score: -0.7372
• Total score value: -80.3503

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	0.2539
2	Q	A	-1.0198
3	A	A	0.0000
4	N	A	-1.9632
5	S	A	-1.4828
6	G	A	0.0000
7	S	A	-1.1854
8	L	A	0.0000
9	E	A	-1.7610
10	V	A	-0.3552
11	V	A	0.1172
12	E	A	-1.3473
13	A	A	-0.8109
14	S	A	-1.1121
15	P	A	-1.6378
16	T	A	-1.1559
17	S	A	-1.0685
18	L	A	0.0000
19	Q	A	-0.7047
20	L	A	0.0000
21	S	A	-1.1212
22	W	A	0.0000
23	D	A	-2.5689
24	A	A	-1.5795
25	F	A	0.0000
26	H	A	-1.2365
27	R	A	0.0000
28	Y	A	0.9269
29	H	A	0.2711
30	N	A	-0.5598
31	G	A	0.1486
32	F	A	1.5080
33	T	A	0.7473
34	H	A	0.2248
35	P	A	-0.3846
36	V	A	-0.9733
37	R	A	-1.5175
38	Y	A	-0.8963
39	Y	A	0.0000
40	R	A	-0.8332
41	I	A	0.0000
42	T	A	-0.6511
43	Y	A	-0.3779
44	G	A	-0.8966
45	E	A	-1.8977
46	T	A	-1.5513
47	G	A	-1.4028
48	G	A	-1.4773
49	N	A	-1.5402
50	S	A	-0.9410
51	P	A	-0.4274
52	V	A	0.2731
53	Q	A	-1.2238
54	E	A	-1.7935
55	F	A	-0.6985
56	T	A	-0.2571
57	V	A	0.0000
58	P	A	-1.0073
59	G	A	-1.2377
60	S	A	-1.1843
61	K	A	-1.7971
62	S	A	-1.2786
63	T	A	-0.8065
64	A	A	0.0000
65	T	A	-0.3450
66	F	A	0.0000
67	S	A	-0.7562
68	G	A	-1.0072
69	L	A	0.0000
70	K	A	-2.5082
71	P	A	-2.0215
72	G	A	-1.3688
73	V	A	-1.6161
74	D	A	-3.0313
75	Y	A	0.0000
76	T	A	-0.9531
77	F	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3141
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.6227
85	Y	A	0.0000
86	P	A	-0.4552
87	R	A	-1.1219
88	Y	A	0.6607
89	G	A	0.6007
90	Y	A	0.9011
91	G	A	0.3517
92	E	A	-0.5996
93	S	A	0.0000
94	G	A	-0.9131
95	P	A	-0.5293
96	V	A	-0.2605
97	S	A	-0.3566
98	F	A	-0.5616
99	N	A	-1.7406
100	Y	A	-1.5745
101	R	A	-2.4870
102	T	A	0.0000
103	E	A	-2.0394
104	L	A	-1.1350
105	D	A	-2.6783
106	K	A	-2.7643
107	P	A	-1.8078
108	S	A	-1.6308
109	Q	A	-1.6580