Project name: Mb5-11_VVLVFF

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQVSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTVTVYAVTWYPRYGYGESGPFSFNYRTELDKPSQ
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.                                          (00:00:58)

• Minimal score value: -2.8112
• Maximal score value: 1.4917
• Average score: -0.7401
• Total score value: -80.6664

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	0.3760
2	Q	A	-0.9865
3	A	A	-1.0492
4	N	A	-1.8773
5	S	A	-1.2012
6	G	A	0.0000
7	S	A	-1.1598
8	L	A	-0.8862
9	E	A	-1.8520
10	V	A	-0.7111
11	V	A	-0.2042
12	E	A	-1.5554
13	A	A	-1.3593
14	S	A	-1.6435
15	P	A	-2.0088
16	T	A	-1.2775
17	S	A	-1.2294
18	L	A	0.0000
19	Q	A	-0.9558
20	V	A	0.0000
21	S	A	-1.0755
22	W	A	0.0000
23	D	A	-2.0987
24	A	A	-1.3993
25	F	A	0.0000
26	H	A	-1.1340
27	R	A	0.0000
28	Y	A	0.9256
29	H	A	0.2329
30	N	A	-0.5866
31	G	A	0.1290
32	F	A	1.4917
33	T	A	0.7490
34	H	A	0.0364
35	P	A	-0.4409
36	V	A	-1.0238
37	R	A	-1.5688
38	Y	A	-0.8638
39	Y	A	0.0000
40	R	A	-0.7844
41	V	A	0.0000
42	T	A	0.0000
43	Y	A	0.0000
44	G	A	-0.6936
45	E	A	-1.4173
46	T	A	-1.1248
47	G	A	-1.1711
48	G	A	-1.3190
49	N	A	-1.5236
50	S	A	-0.9124
51	P	A	-0.4131
52	V	A	0.2812
53	Q	A	-1.1658
54	E	A	-1.7763
55	F	A	-0.6381
56	T	A	-0.1398
57	V	A	-0.4162
58	P	A	-0.9593
59	G	A	-1.2558
60	S	A	-1.2706
61	K	A	-1.9401
62	S	A	-1.1594
63	T	A	-0.8460
64	A	A	0.0000
65	T	A	-0.3906
66	L	A	0.0000
67	S	A	-0.7773
68	G	A	-0.9976
69	L	A	0.0000
70	K	A	-2.4679
71	P	A	-2.1069
72	G	A	-1.3471
73	V	A	-1.2075
74	D	A	-2.1002
75	Y	A	0.0000
76	T	A	-0.7693
77	V	A	0.0000
78	T	A	-0.4553
79	V	A	0.0000
80	Y	A	-0.2541
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5026
85	Y	A	0.0000
86	P	A	-0.4625
87	R	A	-1.1077
88	Y	A	0.7095
89	G	A	0.7184
90	Y	A	1.1251
91	G	A	0.3654
92	E	A	-0.5722
93	S	A	0.0000
94	G	A	-0.6067
95	P	A	-0.4373
96	F	A	0.0009
97	S	A	-0.4574
98	F	A	-0.5727
99	N	A	-1.6789
100	Y	A	-1.5065
101	R	A	-2.5311
102	T	A	0.0000
103	E	A	-2.5109
104	L	A	-1.2861
105	D	A	-2.7283
106	K	A	-2.8112
107	P	A	-1.7877
108	S	A	-1.6429
109	Q	A	-1.6609