Project name: Mb5-11_LLFFFL

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRLTYGETGGNSPVQEFTVPGSKSTATFSGLKPGVDYTFTVYAVTWYPRYGYGESGPFSLNYRTELDKPSQ
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:57)

• Minimal score value: -2.9165
• Maximal score value: 1.475
• Average score: -0.744
• Total score value: -81.0928

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	0.3578
2	Q	A	-1.0094
3	A	A	-1.0930
4	N	A	-1.9871
5	S	A	-1.3465
6	G	A	-1.5462
7	S	A	-1.2497
8	L	A	0.0000
9	E	A	-1.8032
10	V	A	-0.4188
11	V	A	0.0630
12	E	A	-1.3732
13	A	A	-1.0548
14	S	A	-1.3285
15	P	A	-1.9211
16	T	A	-1.2669
17	S	A	-1.1486
18	L	A	0.0000
19	Q	A	-0.7169
20	L	A	0.0000
21	S	A	-1.1287
22	W	A	0.0000
23	D	A	-2.5621
24	A	A	-1.5622
25	F	A	0.0000
26	H	A	-1.2568
27	R	A	-0.3581
28	Y	A	0.8315
29	H	A	0.2196
30	N	A	-0.5878
31	G	A	0.1227
32	F	A	1.4750
33	T	A	0.6911
34	H	A	0.0000
35	P	A	-0.3455
36	V	A	-0.8384
37	R	A	-1.0260
38	Y	A	-0.6913
39	Y	A	0.0000
40	R	A	-0.8211
41	L	A	0.0000
42	T	A	0.0000
43	Y	A	-0.3645
44	G	A	0.0000
45	E	A	-1.8149
46	T	A	-1.4834
47	G	A	-1.3815
48	G	A	-1.5056
49	N	A	-1.5420
50	S	A	-0.9330
51	P	A	-0.4071
52	V	A	0.3094
53	Q	A	-1.1790
54	E	A	-1.7785
55	F	A	-0.6861
56	T	A	-0.2623
57	V	A	0.0000
58	P	A	-0.8868
59	G	A	-1.0521
60	S	A	-1.0599
61	K	A	-1.4888
62	S	A	-1.2024
63	T	A	-0.7703
64	A	A	0.0000
65	T	A	-0.3042
66	F	A	0.0000
67	S	A	-0.7515
68	G	A	-0.9997
69	L	A	0.0000
70	K	A	-2.5536
71	P	A	-2.1546
72	G	A	-1.4653
73	V	A	-1.5376
74	D	A	-2.9165
75	Y	A	0.0000
76	T	A	-0.8879
77	F	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.2816
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.6842
85	Y	A	0.0000
86	P	A	-0.4446
87	R	A	-1.1121
88	Y	A	0.6939
89	G	A	0.6736
90	Y	A	1.0973
91	G	A	0.3171
92	E	A	-0.6798
93	S	A	0.0000
94	G	A	-0.6081
95	P	A	-0.4707
96	F	A	-0.0834
97	S	A	-0.3165
98	L	A	-0.6809
99	N	A	-1.6487
100	Y	A	-1.4192
101	R	A	-2.3951
102	T	A	0.0000
103	E	A	-2.5568
104	L	A	-1.3573
105	D	A	-2.8064
106	K	A	-2.8522
107	P	A	-1.8062
108	S	A	-1.6370
109	Q	A	-1.6614