Project name: Mb5-11_LILVVF

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRITYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTVTVYAVTWYPRYGYGESGPVSFNYRTELDKPSQ
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -2.8018
• Maximal score value: 1.4949
• Average score: -0.7449
• Total score value: -81.1936

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	0.2052
2	Q	A	-1.0327
3	A	A	0.0000
4	N	A	-1.9862
5	S	A	-1.5665
6	G	A	0.0000
7	S	A	-1.3437
8	L	A	-0.9918
9	E	A	-1.8288
10	V	A	-0.7724
11	V	A	0.3070
12	E	A	-1.5202
13	A	A	-1.3225
14	S	A	-1.6827
15	P	A	-2.0059
16	T	A	-1.2715
17	S	A	-1.2477
18	L	A	0.0000
19	Q	A	-0.9378
20	L	A	0.0000
21	S	A	-1.0867
22	W	A	0.0000
23	D	A	-2.5402
24	A	A	-1.5913
25	F	A	0.0000
26	H	A	-1.2343
27	R	A	0.0000
28	Y	A	0.8915
29	H	A	0.2219
30	N	A	-0.5888
31	G	A	0.1344
32	F	A	1.4949
33	T	A	0.7505
34	H	A	0.0853
35	P	A	-0.3904
36	V	A	-0.9736
37	R	A	-1.5114
38	Y	A	-0.8393
39	Y	A	0.0000
40	R	A	-0.8187
41	I	A	0.0000
42	T	A	0.0000
43	Y	A	-0.3931
44	G	A	-0.6680
45	E	A	-1.4048
46	T	A	-1.1346
47	G	A	-1.1752
48	G	A	-1.3287
49	N	A	-1.5303
50	S	A	-0.9183
51	P	A	-0.4179
52	V	A	0.2917
53	Q	A	-1.2140
54	E	A	-1.8089
55	F	A	-0.6854
56	T	A	-0.1750
57	V	A	-0.3805
58	P	A	-0.9058
59	G	A	-1.1799
60	S	A	-1.1427
61	K	A	-1.7279
62	S	A	-1.1612
63	T	A	-0.8194
64	A	A	0.0000
65	T	A	-0.3746
66	L	A	0.0000
67	S	A	-0.7856
68	G	A	-0.9941
69	L	A	0.0000
70	K	A	-2.4657
71	P	A	-2.1045
72	G	A	-1.3469
73	V	A	-1.2080
74	D	A	-2.0879
75	Y	A	0.0000
76	T	A	-0.7129
77	V	A	0.0000
78	T	A	-0.4502
79	V	A	0.0000
80	Y	A	-0.3879
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.6600
85	Y	A	0.0000
86	P	A	-0.4130
87	R	A	-1.0852
88	Y	A	0.7420
89	G	A	0.7540
90	Y	A	1.1598
91	G	A	0.4357
92	E	A	-0.6410
93	S	A	0.0000
94	G	A	-1.0337
95	P	A	-0.6051
96	V	A	-0.1193
97	S	A	-0.4853
98	F	A	-0.5363
99	N	A	-1.6445
100	Y	A	-1.4938
101	R	A	-2.5058
102	T	A	0.0000
103	E	A	-2.6947
104	L	A	-1.2850
105	D	A	-2.7232
106	K	A	-2.8018
107	P	A	-1.7876
108	S	A	-1.6379
109	Q	A	-1.6593