Project name: Mb5-11_VVLLFL

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

• Minimal score value: -2.7477
• Maximal score value: 1.399
• Average score: -0.7217
• Total score value: -78.6646

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	0.3145
2	Q	A	-1.0461
3	A	A	-1.0794
4	N	A	-1.9465
5	S	A	-1.2928
6	G	A	-1.4996
7	S	A	-1.2258
8	L	A	-0.8559
9	E	A	-1.6819
10	V	A	-0.4103
11	V	A	0.4597
12	E	A	-1.1603
13	A	A	-1.0853
14	S	A	-1.4686
15	P	A	-1.8131
16	T	A	-1.1908
17	S	A	-1.1442
18	L	A	0.0000
19	Q	A	-0.7530
20	V	A	0.0000
21	S	A	-0.8741
22	W	A	0.0000
23	D	A	-2.1520
24	A	A	-1.3867
25	F	A	0.0000
26	H	A	-1.2475
27	R	A	-0.3546
28	Y	A	0.7598
29	H	A	0.0842
30	N	A	-0.6478
31	G	A	0.0753
32	F	A	1.3990
33	T	A	0.6051
34	H	A	-0.0594
35	P	A	-0.4889
36	V	A	-1.0522
37	R	A	-1.5056
38	Y	A	-0.9317
39	Y	A	0.0000
40	R	A	-0.8588
41	V	A	0.0000
42	T	A	-0.6268
43	Y	A	-0.3275
44	G	A	0.0000
45	E	A	-1.3543
46	T	A	-1.1139
47	G	A	-1.1581
48	G	A	-1.2922
49	N	A	-1.4991
50	S	A	-0.8708
51	P	A	-0.3650
52	V	A	0.3587
53	Q	A	-1.1083
54	E	A	-1.7497
55	F	A	-0.6670
56	T	A	-0.2693
57	V	A	0.0000
58	P	A	-0.9808
59	G	A	-1.2017
60	S	A	-1.0837
61	K	A	-1.3353
62	S	A	-0.9614
63	T	A	-0.6481
64	A	A	0.0000
65	T	A	-0.3080
66	L	A	0.0000
67	S	A	-0.7699
68	G	A	-0.9928
69	L	A	0.0000
70	K	A	-2.4087
71	P	A	-1.9804
72	G	A	-1.2215
73	V	A	-1.1501
74	D	A	-2.0722
75	Y	A	0.0000
76	T	A	-0.7327
77	L	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.2460
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.4771
85	Y	A	0.0000
86	P	A	-0.4786
87	R	A	-1.1264
88	Y	A	0.6610
89	G	A	0.6162
90	Y	A	0.8753
91	G	A	0.2473
92	E	A	-0.6103
93	S	A	0.0000
94	G	A	-0.6014
95	P	A	-0.4295
96	F	A	-0.1991
97	S	A	-0.4856
98	L	A	-0.6219
99	N	A	-1.6999
100	Y	A	-1.5111
101	R	A	-2.4629
102	T	A	0.0000
103	E	A	-2.1120
104	L	A	-1.0875
105	D	A	-2.6198
106	K	A	-2.7477
107	P	A	-1.7897
108	S	A	-1.6435
109	Q	A	-1.6627