Project name: Mb5-11_LVLFLF

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

• Minimal score value: -2.6377
• Maximal score value: 1.4936
• Average score: -0.6834
• Total score value: -74.4952

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	0.4063
2	Q	A	-0.8970
3	A	A	-0.9560
4	N	A	-1.6237
5	S	A	-1.1266
6	G	A	0.0000
7	S	A	-1.1803
8	L	A	0.0000
9	E	A	-1.7900
10	V	A	-0.6530
11	V	A	0.0841
12	E	A	-1.4636
13	A	A	-0.9663
14	S	A	-1.1624
15	P	A	-1.3512
16	T	A	-0.9788
17	S	A	-1.0669
18	L	A	0.0000
19	Q	A	-1.0736
20	L	A	0.0000
21	S	A	-1.1423
22	W	A	0.0000
23	D	A	-2.2422
24	A	A	-1.4941
25	F	A	0.0000
26	H	A	-1.0853
27	R	A	0.0000
28	Y	A	0.9563
29	H	A	0.2210
30	N	A	-0.6047
31	G	A	0.1147
32	F	A	1.4936
33	T	A	0.7601
34	H	A	0.0472
35	P	A	-0.4412
36	V	A	-1.0476
37	R	A	-1.5903
38	Y	A	-0.8943
39	Y	A	0.0000
40	R	A	-0.8063
41	V	A	0.0000
42	T	A	-0.6370
43	Y	A	-0.3189
44	G	A	-0.8242
45	E	A	-1.6376
46	T	A	-1.3939
47	G	A	-1.3398
48	G	A	-1.4152
49	N	A	-1.5381
50	S	A	-0.9473
51	P	A	-0.4256
52	V	A	0.2833
53	Q	A	-1.2096
54	E	A	-1.7947
55	F	A	-0.6776
56	T	A	-0.1652
57	V	A	-0.4535
58	P	A	-0.9921
59	G	A	-1.3087
60	S	A	-1.3434
61	K	A	-2.0953
62	S	A	-1.2812
63	T	A	-0.9342
64	A	A	0.0000
65	T	A	-0.4208
66	L	A	0.0000
67	S	A	-0.7721
68	G	A	-0.9456
69	L	A	0.0000
70	K	A	-2.1056
71	P	A	-1.6463
72	G	A	-0.9483
73	V	A	-1.1654
74	D	A	-2.6094
75	Y	A	0.0000
76	T	A	-0.6870
77	F	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.2502
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5233
85	Y	A	0.0000
86	P	A	-0.4583
87	R	A	-1.1062
88	Y	A	0.7121
89	G	A	0.7211
90	Y	A	1.1358
91	G	A	0.3754
92	E	A	-0.5556
93	S	A	0.0000
94	G	A	-0.6827
95	P	A	-0.3407
96	L	A	-0.0660
97	S	A	-0.2237
98	F	A	-0.0285
99	N	A	-1.5000
100	Y	A	-1.3008
101	R	A	-2.0414
102	T	A	0.0000
103	E	A	-1.3341
104	L	A	-0.6133
105	D	A	-2.4256
106	K	A	-2.6377
107	P	A	-1.7853
108	S	A	-1.6454
109	Q	A	-1.6627