Project name: Mb5-11_FFVFVR

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQFSWDAFHRYHNGFTHPVRYYRFTYGETGGNSPVQEFTVPGSKSTATVSGLKPGVDYTFTVYAVTWYPRYGYGESGPVSRNYRTELDKPSQ
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: -2.8451
• Maximal score value: 1.3939
• Average score: -0.817
• Total score value: -89.0499

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	0.3054
2	Q	A	-1.0022
3	A	A	-1.1662
4	N	A	-1.8414
5	S	A	-1.3490
6	G	A	-1.4039
7	S	A	-1.2665
8	L	A	0.0000
9	E	A	-1.6762
10	V	A	-0.5823
11	V	A	0.3820
12	E	A	-1.3311
13	A	A	-1.1065
14	S	A	-1.1072
15	P	A	-1.8523
16	T	A	-1.1986
17	S	A	-1.1844
18	L	A	0.0000
19	Q	A	-1.0136
20	F	A	0.0000
21	S	A	-0.9813
22	W	A	0.0000
23	D	A	-2.1743
24	A	A	-1.4589
25	F	A	0.0000
26	H	A	-1.1369
27	R	A	-0.4610
28	Y	A	0.7317
29	H	A	0.0230
30	N	A	-0.6804
31	G	A	0.0577
32	F	A	1.3939
33	T	A	0.6034
34	H	A	0.0362
35	P	A	-0.4753
36	V	A	-1.2034
37	R	A	-1.4617
38	Y	A	-0.9705
39	Y	A	0.0000
40	R	A	-0.8532
41	F	A	0.0000
42	T	A	0.0000
43	Y	A	-0.5430
44	G	A	-0.8512
45	E	A	-1.8339
46	T	A	-1.4630
47	G	A	-1.3313
48	G	A	-1.4737
49	N	A	-1.5560
50	S	A	-0.9626
51	P	A	-0.4301
52	V	A	0.2694
53	Q	A	-1.2218
54	E	A	-1.7881
55	F	A	-0.6777
56	T	A	-0.2485
57	V	A	0.0000
58	P	A	-1.1227
59	G	A	-1.3567
60	S	A	-1.3923
61	K	A	-1.9986
62	S	A	-1.3143
63	T	A	-0.9140
64	A	A	0.0000
65	T	A	-0.4436
66	V	A	0.0000
67	S	A	-0.8054
68	G	A	-0.9962
69	L	A	0.0000
70	K	A	-2.5220
71	P	A	-2.1162
72	G	A	-1.4414
73	V	A	-1.5252
74	D	A	-2.7584
75	Y	A	0.0000
76	T	A	-1.2972
77	F	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.2610
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5006
85	Y	A	0.0000
86	P	A	-0.4593
87	R	A	-1.1234
88	Y	A	0.7011
89	G	A	0.7743
90	Y	A	1.0874
91	G	A	0.2912
92	E	A	-0.6718
93	S	A	0.0000
94	G	A	-0.7519
95	P	A	-0.5724
96	V	A	-0.4687
97	S	A	-1.0540
98	R	A	-1.7393
99	N	A	-2.4080
100	Y	A	-2.0404
101	R	A	-2.8451
102	T	A	0.0000
103	E	A	-2.4024
104	L	A	-1.3684
105	D	A	-2.7592
106	K	A	-2.8309
107	P	A	-1.8273
108	S	A	-1.6382
109	Q	A	-1.6621