Project name: Mb5-11_LVFILV

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATFSGLKPGVDYTITVYAVTWYPRYGYGESGPLSVNYRTELDKPSQ
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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:03)

• Minimal score value: -2.6924
• Maximal score value: 1.5266
• Average score: -0.6371
• Total score value: -69.4472

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	0.4111
2	Q	A	-0.8526
3	A	A	-0.9833
4	N	A	-1.6177
5	S	A	-1.2606
6	G	A	0.0000
7	S	A	-1.2565
8	L	A	0.0000
9	E	A	-1.9302
10	V	A	0.0000
11	V	A	0.1095
12	E	A	-1.4460
13	A	A	-1.1814
14	S	A	-1.3766
15	P	A	-1.6258
16	T	A	-1.0805
17	S	A	-1.1237
18	L	A	0.0000
19	Q	A	-1.0484
20	L	A	0.0000
21	S	A	-1.1496
22	W	A	0.0000
23	D	A	-2.2490
24	A	A	-1.4760
25	F	A	0.0000
26	H	A	-0.9885
27	R	A	0.0000
28	Y	A	0.9834
29	H	A	0.3089
30	N	A	-0.5509
31	G	A	0.1412
32	F	A	1.5266
33	T	A	0.8000
34	H	A	0.1477
35	P	A	-0.3544
36	V	A	-0.9984
37	R	A	-1.3732
38	Y	A	-0.8727
39	Y	A	0.0000
40	R	A	-0.2609
41	V	A	0.0000
42	T	A	-0.1363
43	Y	A	0.0000
44	G	A	-0.5691
45	E	A	-1.3138
46	T	A	-1.0964
47	G	A	-1.1427
48	G	A	-1.2273
49	N	A	-1.4763
50	S	A	-0.8289
51	P	A	-0.3069
52	V	A	0.4350
53	Q	A	-0.6523
54	E	A	-0.5620
55	F	A	1.0076
56	T	A	0.6784
57	V	A	-0.0746
58	P	A	-0.9603
59	G	A	-1.2856
60	S	A	-1.3258
61	K	A	-1.8903
62	S	A	-1.2696
63	T	A	-0.9204
64	A	A	0.0000
65	T	A	-0.4137
66	F	A	0.0000
67	S	A	-0.7767
68	G	A	-0.9699
69	L	A	0.0000
70	K	A	-2.2388
71	P	A	-1.8201
72	G	A	-1.0490
73	V	A	-1.0211
74	D	A	-1.9536
75	Y	A	0.0000
76	T	A	-0.7708
77	I	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.2577
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.6167
85	Y	A	0.0000
86	P	A	-0.4591
87	R	A	-1.1279
88	Y	A	0.6563
89	G	A	0.5816
90	Y	A	0.8572
91	G	A	0.2238
92	E	A	-0.7021
93	S	A	0.0000
94	G	A	-0.7246
95	P	A	-0.4467
96	L	A	-0.2515
97	S	A	-0.5510
98	V	A	-0.7288
99	N	A	-1.7441
100	Y	A	-1.5364
101	R	A	-2.3534
102	T	A	0.0000
103	E	A	-1.7415
104	L	A	-0.8968
105	D	A	-2.5228
106	K	A	-2.6924
107	P	A	-1.7891
108	S	A	-1.6369
109	Q	A	-1.6602