Project name: Mb5-11_LVFVVL

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATFSGLKPGVDYTVTVYAVTWYPRYGYGESGPVSLNYRTELDKPSQ
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.                                          (00:01:03)

• Minimal score value: -2.8071
• Maximal score value: 1.5174
• Average score: -0.7593
• Total score value: -82.7629

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	0.2482
2	Q	A	-0.9745
3	A	A	-1.2394
4	N	A	-1.9514
5	S	A	-1.5707
6	G	A	0.0000
7	S	A	-1.3450
8	L	A	-1.0434
9	E	A	-1.8709
10	V	A	-0.6260
11	V	A	0.0065
12	E	A	-1.4580
13	A	A	-1.3080
14	S	A	-1.6342
15	P	A	-1.9837
16	T	A	-1.2475
17	S	A	-1.2086
18	L	A	0.0000
19	Q	A	-0.9103
20	L	A	0.0000
21	S	A	-1.1438
22	W	A	0.0000
23	D	A	-2.5574
24	A	A	-1.6379
25	F	A	0.0000
26	H	A	-1.2214
27	R	A	0.0000
28	Y	A	0.8982
29	H	A	0.2780
30	N	A	-0.5565
31	G	A	0.1470
32	F	A	1.5174
33	T	A	0.7656
34	H	A	0.1294
35	P	A	-0.3653
36	V	A	-0.9999
37	R	A	-1.5476
38	Y	A	-0.8994
39	Y	A	0.0000
40	R	A	-0.7788
41	V	A	0.0000
42	T	A	-0.7015
43	Y	A	0.0000
44	G	A	0.0000
45	E	A	-1.2942
46	T	A	-1.0784
47	G	A	-1.1308
48	G	A	-1.2400
49	N	A	-1.4600
50	S	A	-0.8133
51	P	A	-0.3679
52	V	A	0.3049
53	Q	A	-1.2242
54	E	A	-1.8307
55	F	A	-0.6807
56	T	A	-0.1550
57	V	A	-0.4314
58	P	A	-0.9927
59	G	A	-1.3019
60	S	A	-1.3150
61	K	A	-2.0710
62	S	A	-1.3253
63	T	A	-0.9150
64	A	A	0.0000
65	T	A	-0.3659
66	F	A	0.0000
67	S	A	-0.7698
68	G	A	-0.9892
69	L	A	0.0000
70	K	A	-2.4277
71	P	A	-2.0723
72	G	A	-1.3171
73	V	A	-1.1164
74	D	A	-2.0442
75	Y	A	0.0000
76	T	A	-0.7595
77	V	A	0.0000
78	T	A	-0.5387
79	V	A	0.0000
80	Y	A	-0.3650
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.7120
85	Y	A	0.0000
86	P	A	-0.4242
87	R	A	-1.1034
88	Y	A	0.6935
89	G	A	0.6519
90	Y	A	0.9833
91	G	A	0.3811
92	E	A	-0.6339
93	S	A	0.0000
94	G	A	-1.0056
95	P	A	-0.6514
96	V	A	0.0000
97	S	A	-0.6579
98	L	A	-0.7078
99	N	A	-1.7034
100	Y	A	-1.5169
101	R	A	-2.5140
102	T	A	0.0000
103	E	A	-2.4978
104	L	A	-1.2741
105	D	A	-2.7225
106	K	A	-2.8071
107	P	A	-1.7881
108	S	A	-1.6374
109	Q	A	-1.6600