Project name: Mb5-11_VLFFLI

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQVSWDAFHRYHNGFTHPVRYYRLTYGETGGNSPVQEFTVPGSKSTATFSGLKPGVDYTFTVYAVTWYPRYGYGESGPLSINYRTELDKPSQ
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                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -2.8075
• Maximal score value: 1.4287
• Average score: -0.7233
• Total score value: -78.8423

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	0.3923
2	Q	A	-0.8191
3	A	A	-0.8970
4	N	A	-1.6275
5	S	A	-1.2453
6	G	A	-1.4682
7	S	A	-1.2491
8	L	A	0.0000
9	E	A	-1.8184
10	V	A	-0.4324
11	V	A	0.0606
12	E	A	-1.3960
13	A	A	-1.1905
14	S	A	-1.5364
15	P	A	-1.9348
16	T	A	-1.2048
17	S	A	-1.1600
18	L	A	0.0000
19	Q	A	-0.7944
20	V	A	0.0000
21	S	A	-1.1355
22	W	A	0.0000
23	D	A	-2.4859
24	A	A	-1.4882
25	F	A	0.0000
26	H	A	-1.0098
27	R	A	-0.2884
28	Y	A	0.8366
29	H	A	0.1404
30	N	A	-0.6173
31	G	A	0.0693
32	F	A	1.4287
33	T	A	0.6797
34	H	A	0.1306
35	P	A	-0.4147
36	V	A	-0.9522
37	R	A	-1.4303
38	Y	A	-0.8524
39	Y	A	0.0000
40	R	A	-0.7976
41	L	A	0.0000
42	T	A	0.0000
43	Y	A	0.0000
44	G	A	-0.7268
45	E	A	-1.4844
46	T	A	-1.1999
47	G	A	-1.2043
48	G	A	-1.3572
49	N	A	-1.5246
50	S	A	-0.8993
51	P	A	-0.4125
52	V	A	0.2633
53	Q	A	-1.2269
54	E	A	-1.7676
55	F	A	-0.5723
56	T	A	-0.1879
57	V	A	0.0000
58	P	A	-0.9610
59	G	A	-1.1710
60	S	A	-1.0971
61	K	A	-1.4372
62	S	A	-1.1850
63	T	A	-0.7778
64	A	A	0.0000
65	T	A	-0.3748
66	F	A	0.0000
67	S	A	-0.7463
68	G	A	-0.9787
69	L	A	0.0000
70	K	A	-2.3147
71	P	A	-1.9958
72	G	A	-1.2854
73	V	A	-1.1028
74	D	A	-2.1001
75	Y	A	0.0000
76	T	A	-0.7568
77	F	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.2854
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5610
85	Y	A	0.0000
86	P	A	-0.4024
87	R	A	-1.0846
88	Y	A	0.7080
89	G	A	0.6899
90	Y	A	1.1148
91	G	A	0.3031
92	E	A	-0.6701
93	S	A	0.0000
94	G	A	-0.7765
95	P	A	-0.5117
96	L	A	-0.3244
97	S	A	-0.5192
98	I	A	-0.7534
99	N	A	-1.5446
100	Y	A	-1.3912
101	R	A	-2.5325
102	T	A	0.0000
103	E	A	-2.4894
104	L	A	-1.2426
105	D	A	-2.7049
106	K	A	-2.8075
107	P	A	-1.7868
108	S	A	-1.6369
109	Q	A	-1.6621