Project name: Mb5-11_FVLVTF

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQFSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTVTVYAVTWYPRYGYGESGPTSFNYRTELDKPSQ
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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -2.7296
• Maximal score value: 1.4978
• Average score: -0.6921
• Total score value: -75.435

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	0.1988
2	Q	A	-1.0504
3	A	A	0.0000
4	N	A	-2.0055
5	S	A	-1.6142
6	G	A	0.0000
7	S	A	-1.3183
8	L	A	0.0000
9	E	A	-1.7478
10	V	A	-0.3521
11	V	A	0.2890
12	E	A	-1.2743
13	A	A	-1.0676
14	S	A	-1.3762
15	P	A	-1.6641
16	T	A	-1.0455
17	S	A	-1.0609
18	L	A	0.0000
19	Q	A	-0.6801
20	F	A	0.0000
21	S	A	-1.0982
22	W	A	0.0000
23	D	A	-2.5942
24	A	A	-1.6388
25	F	A	0.0000
26	H	A	-1.2226
27	R	A	0.0000
28	Y	A	0.9167
29	H	A	0.2368
30	N	A	-0.5737
31	G	A	0.1588
32	F	A	1.4978
33	T	A	0.7440
34	H	A	0.0658
35	P	A	-0.4095
36	V	A	-1.1242
37	R	A	-1.4139
38	Y	A	-0.8597
39	Y	A	0.0000
40	R	A	-0.8124
41	V	A	0.0000
42	T	A	-0.6519
43	Y	A	-0.3637
44	G	A	-0.5945
45	E	A	-1.2383
46	T	A	-1.0736
47	G	A	-1.1368
48	G	A	-1.2193
49	N	A	-1.4952
50	S	A	-0.8718
51	P	A	-0.3883
52	V	A	0.3230
53	Q	A	-1.2091
54	E	A	-1.8280
55	F	A	-0.7106
56	T	A	-0.1862
57	V	A	-0.4115
58	P	A	-0.9225
59	G	A	-1.2207
60	S	A	-1.2138
61	K	A	-1.6924
62	S	A	-1.2361
63	T	A	-0.7720
64	A	A	0.0000
65	T	A	-0.2683
66	L	A	0.0000
67	S	A	-0.7095
68	G	A	-0.9149
69	L	A	0.0000
70	K	A	-1.9863
71	P	A	-1.7504
72	G	A	-1.0734
73	V	A	-0.9711
74	D	A	-1.9430
75	Y	A	0.0000
76	T	A	-0.7210
77	V	A	0.0000
78	T	A	-0.5239
79	V	A	0.0000
80	Y	A	-0.3849
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.6058
85	Y	A	0.0000
86	P	A	-0.4348
87	R	A	-1.0990
88	Y	A	0.7338
89	G	A	0.7424
90	Y	A	1.1360
91	G	A	0.4630
92	E	A	-0.5586
93	S	A	0.0000
94	G	A	-1.0415
95	P	A	-0.6613
96	T	A	0.0000
97	S	A	-0.6251
98	F	A	-0.6548
99	N	A	-1.5544
100	Y	A	-1.5416
101	R	A	-2.4022
102	T	A	0.0000
103	E	A	-1.9483
104	L	A	-0.9721
105	D	A	-2.5470
106	K	A	-2.7296
107	P	A	-1.7865
108	S	A	-1.6399
109	Q	A	-1.6628