Project name: Mb5-11_LVFFFL

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATFSGLKPGVDYTFTVYAVTWYPRYGYGESGPFSLNYRTELDKPSQ
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: -2.7756
• Maximal score value: 1.4458
• Average score: -0.7454
• Total score value: -81.2522

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	0.3329
2	Q	A	-1.0143
3	A	A	-1.1786
4	N	A	-1.9853
5	S	A	-1.3396
6	G	A	-1.5277
7	S	A	-1.2396
8	L	A	0.0000
9	E	A	-1.7987
10	V	A	-0.4140
11	V	A	0.1236
12	E	A	-1.3472
13	A	A	-0.8983
14	S	A	-1.1329
15	P	A	-1.6415
16	T	A	-1.1593
17	S	A	-1.0701
18	L	A	0.0000
19	Q	A	-0.7212
20	L	A	0.0000
21	S	A	-1.1776
22	W	A	0.0000
23	D	A	-2.6067
24	A	A	-1.6377
25	F	A	0.0000
26	H	A	-1.2292
27	R	A	-0.3144
28	Y	A	0.8149
29	H	A	0.1941
30	N	A	-0.5913
31	G	A	0.1210
32	F	A	1.4458
33	T	A	0.6409
34	H	A	-0.0624
35	P	A	-0.5001
36	V	A	-1.0681
37	R	A	-1.5957
38	Y	A	-0.9221
39	Y	A	0.0000
40	R	A	-0.8374
41	V	A	0.0000
42	T	A	0.0000
43	Y	A	-0.3570
44	G	A	0.0000
45	E	A	-1.7715
46	T	A	-1.4434
47	G	A	-1.3669
48	G	A	-1.4401
49	N	A	-1.5265
50	S	A	-0.9101
51	P	A	-0.4019
52	V	A	0.3017
53	Q	A	-1.1917
54	E	A	-1.7672
55	F	A	-0.6473
56	T	A	-0.2215
57	V	A	0.0000
58	P	A	-1.0663
59	G	A	-1.3315
60	S	A	-1.3508
61	K	A	-2.1442
62	S	A	-1.3841
63	T	A	-0.9187
64	A	A	0.0000
65	T	A	-0.3376
66	F	A	0.0000
67	S	A	-0.7565
68	G	A	-1.0057
69	L	A	0.0000
70	K	A	-2.4641
71	P	A	-1.9760
72	G	A	-1.2712
73	V	A	-1.4542
74	D	A	-2.7648
75	Y	A	0.0000
76	T	A	-0.8613
77	F	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.2669
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5149
85	Y	A	0.0000
86	P	A	-0.4639
87	R	A	-1.1068
88	Y	A	0.7158
89	G	A	0.7349
90	Y	A	1.1490
91	G	A	0.3720
92	E	A	-0.5506
93	S	A	0.0000
94	G	A	-0.7780
95	P	A	-0.4797
96	F	A	-0.1089
97	S	A	-0.3345
98	L	A	-0.6988
99	N	A	-1.6302
100	Y	A	-1.3230
101	R	A	-2.1624
102	T	A	0.0000
103	E	A	-1.9594
104	L	A	-1.1344
105	D	A	-2.6871
106	K	A	-2.7756
107	P	A	-1.8150
108	S	A	-1.6347
109	Q	A	-1.6607