Project name: Mb5-11_FVVVVF

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQFSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATVSGLKPGVDYTVTVYAVTWYPRYGYGESGPVSFNYRTELDKPSQ
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: -2.813
• Maximal score value: 1.5208
• Average score: -0.7154
• Total score value: -77.9799

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	0.2315
2	Q	A	-1.0279
3	A	A	0.0000
4	N	A	-2.0290
5	S	A	-1.6042
6	G	A	0.0000
7	S	A	-1.3718
8	L	A	0.0000
9	E	A	-1.7342
10	V	A	-0.4930
11	V	A	0.3892
12	E	A	-1.2338
13	A	A	-1.2359
14	S	A	-1.6452
15	P	A	-1.9863
16	T	A	-1.2352
17	S	A	-1.1969
18	L	A	0.0000
19	Q	A	-0.6892
20	F	A	0.0000
21	S	A	-1.0733
22	W	A	0.0000
23	D	A	-2.5881
24	A	A	-1.6284
25	F	A	0.0000
26	H	A	-1.2533
27	R	A	0.0000
28	Y	A	0.9525
29	H	A	0.2953
30	N	A	-0.5606
31	G	A	0.1515
32	F	A	1.5208
33	T	A	0.7725
34	H	A	0.1168
35	P	A	-0.3755
36	V	A	-1.0911
37	R	A	-1.3638
38	Y	A	-0.8230
39	Y	A	0.0000
40	R	A	-0.8304
41	V	A	0.0000
42	T	A	0.0000
43	Y	A	-0.3746
44	G	A	-0.6547
45	E	A	-1.3063
46	T	A	-1.0949
47	G	A	-1.1480
48	G	A	-1.2680
49	N	A	-1.4826
50	S	A	-0.8369
51	P	A	-0.3730
52	V	A	0.3223
53	Q	A	-1.2208
54	E	A	-1.8518
55	F	A	-0.7619
56	T	A	-0.2049
57	V	A	-0.3864
58	P	A	-0.9022
59	G	A	-1.1891
60	S	A	-1.1779
61	K	A	-1.6317
62	S	A	-1.2172
63	T	A	-0.7635
64	A	A	0.0000
65	T	A	-0.2904
66	V	A	0.0000
67	S	A	-0.7503
68	G	A	-0.9700
69	L	A	0.0000
70	K	A	-2.3487
71	P	A	-2.0679
72	G	A	-1.3089
73	V	A	-1.0974
74	D	A	-2.0512
75	Y	A	0.0000
76	T	A	-0.7217
77	V	A	0.0000
78	T	A	-0.5260
79	V	A	0.0000
80	Y	A	-0.3865
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.7279
85	Y	A	0.0000
86	P	A	-0.4099
87	R	A	-1.0890
88	Y	A	0.7312
89	G	A	0.7284
90	Y	A	1.1503
91	G	A	0.4305
92	E	A	-0.6441
93	S	A	0.0000
94	G	A	-1.0527
95	P	A	-0.6773
96	V	A	0.0000
97	S	A	-0.6268
98	F	A	-0.6690
99	N	A	-1.4853
100	Y	A	-1.5033
101	R	A	-2.5094
102	T	A	0.0000
103	E	A	-2.4975
104	L	A	-1.2711
105	D	A	-2.7253
106	K	A	-2.8130
107	P	A	-1.7887
108	S	A	-1.6402
109	Q	A	-1.6625