Project name: Mb5-11_LVLLLI

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTLTVYAVTWYPRYGYGESGPLSINYRTELDKPSQ
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: -2.705
• Maximal score value: 1.3737
• Average score: -0.6874
• Total score value: -74.9305

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	0.3876
2	Q	A	-0.8302
3	A	A	-0.7101
4	N	A	-1.2476
5	S	A	-0.8893
6	G	A	0.0000
7	S	A	-1.0986
8	L	A	0.0000
9	E	A	-1.9493
10	V	A	0.0000
11	V	A	-0.0905
12	E	A	-1.5580
13	A	A	-1.2674
14	S	A	-1.4400
15	P	A	-1.6911
16	T	A	-1.1277
17	S	A	-1.1717
18	L	A	0.0000
19	Q	A	-1.1649
20	L	A	0.0000
21	S	A	-1.1337
22	W	A	0.0000
23	D	A	-1.8553
24	A	A	-1.2634
25	F	A	0.0000
26	H	A	-1.0786
27	R	A	-0.2427
28	Y	A	0.7831
29	H	A	-0.0438
30	N	A	-0.7225
31	G	A	0.0261
32	F	A	1.3737
33	T	A	0.6115
34	H	A	0.0016
35	P	A	-0.3946
36	V	A	-1.0032
37	R	A	-1.2522
38	Y	A	-0.8196
39	Y	A	0.0000
40	R	A	-0.7830
41	V	A	0.0000
42	T	A	0.0000
43	Y	A	-0.2912
44	G	A	0.0000
45	E	A	-1.5105
46	T	A	-1.1914
47	G	A	-1.2025
48	G	A	-1.3519
49	N	A	-1.5347
50	S	A	-0.9016
51	P	A	-0.3494
52	V	A	0.4147
53	Q	A	-0.9656
54	E	A	-1.6607
55	F	A	-0.5715
56	T	A	-0.1408
57	V	A	-0.4133
58	P	A	-0.9406
59	G	A	-1.2241
60	S	A	-1.2808
61	K	A	-1.8051
62	S	A	-1.1557
63	T	A	-0.8956
64	A	A	0.0000
65	T	A	-0.4778
66	L	A	0.0000
67	S	A	-0.8005
68	G	A	-0.9866
69	L	A	0.0000
70	K	A	-2.3523
71	P	A	-1.8379
72	G	A	-1.1011
73	V	A	-1.0702
74	D	A	-2.0405
75	Y	A	0.0000
76	T	A	-0.7049
77	L	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.2857
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.6342
85	Y	A	0.0000
86	P	A	-0.4612
87	R	A	-1.1257
88	Y	A	0.6602
89	G	A	0.5828
90	Y	A	0.8661
91	G	A	0.1928
92	E	A	-0.7906
93	S	A	0.0000
94	G	A	-0.6590
95	P	A	-0.4260
96	L	A	-0.4247
97	S	A	-0.4240
98	I	A	-0.4952
99	N	A	-1.6517
100	Y	A	-1.5184
101	R	A	-2.4122
102	T	A	0.0000
103	E	A	-1.8961
104	L	A	-0.9615
105	D	A	-2.5481
106	K	A	-2.7050
107	P	A	-1.7903
108	S	A	-1.6386
109	Q	A	-1.6631