Project name: Mb5-11_VVLFVF

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

• Minimal score value: -2.798
• Maximal score value: 1.5181
• Average score: -0.7606
• Total score value: -82.9098

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	0.2116
2	Q	A	-1.0048
3	A	A	0.0000
4	N	A	-1.9708
5	S	A	-1.5179
6	G	A	0.0000
7	S	A	-1.2552
8	L	A	-0.9902
9	E	A	-1.7114
10	V	A	-0.3836
11	V	A	0.3214
12	E	A	-1.2877
13	A	A	-1.1226
14	S	A	-1.3112
15	P	A	-1.9958
16	T	A	-1.2848
17	S	A	-1.1688
18	L	A	0.0000
19	Q	A	-0.7252
20	V	A	0.0000
21	S	A	-1.0317
22	W	A	0.0000
23	D	A	-2.4839
24	A	A	-1.5952
25	F	A	0.0000
26	H	A	-1.2595
27	R	A	0.0000
28	Y	A	0.9402
29	H	A	0.2929
30	N	A	-0.5683
31	G	A	0.1356
32	F	A	1.5181
33	T	A	0.7713
34	H	A	0.1252
35	P	A	-0.3890
36	V	A	-1.0678
37	R	A	-1.6233
38	Y	A	-1.1694
39	Y	A	0.0000
40	R	A	-1.1849
41	V	A	0.0000
42	T	A	-0.6618
43	Y	A	-0.3279
44	G	A	-0.6974
45	E	A	-1.6089
46	T	A	-1.2594
47	G	A	-1.2229
48	G	A	-1.3716
49	N	A	-1.5323
50	S	A	-0.8924
51	P	A	-0.3823
52	V	A	0.3371
53	Q	A	-1.0475
54	E	A	-1.7665
55	F	A	-0.7084
56	T	A	-0.3142
57	V	A	-0.5524
58	P	A	-1.0964
59	G	A	-1.3987
60	S	A	-1.3159
61	K	A	-2.0246
62	S	A	-1.2848
63	T	A	-0.8071
64	A	A	0.0000
65	T	A	-0.3078
66	L	A	0.0000
67	S	A	-0.7688
68	G	A	-0.9992
69	L	A	0.0000
70	K	A	-2.5562
71	P	A	-2.2091
72	G	A	-1.6139
73	V	A	-1.4513
74	D	A	-2.3041
75	Y	A	0.0000
76	T	A	-0.7388
77	F	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.5012
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.7294
85	Y	A	0.0000
86	P	A	-0.3910
87	R	A	-1.0768
88	Y	A	0.7422
89	G	A	0.7113
90	Y	A	1.1000
91	G	A	0.4621
92	E	A	-1.0559
93	S	A	0.0000
94	G	A	-1.0303
95	P	A	-0.5963
96	V	A	-0.1488
97	S	A	-0.3387
98	F	A	-0.2663
99	N	A	-1.5857
100	Y	A	-1.6501
101	R	A	-2.7253
102	T	A	0.0000
103	E	A	-2.6093
104	L	A	-1.3646
105	D	A	-2.7637
106	K	A	-2.7980
107	P	A	-1.7828
108	S	A	-1.6376
109	Q	A	-1.6602