Project name: Mb5-11_VLFVVL

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQVSWDAFHRYHNGFTHPVRYYRLTYGETGGNSPVQEFTVPGSKSTATFSGLKPGVDYTVTVYAVTWYPRYGYGESGPVSLNYRTELDKPSQ
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                                          (00:01:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -2.7312
• Maximal score value: 1.5207
• Average score: -0.6851
• Total score value: -74.6728

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	0.2685
2	Q	A	-0.9742
3	A	A	0.0000
4	N	A	-1.9219
5	S	A	-1.5393
6	G	A	0.0000
7	S	A	-1.3624
8	L	A	0.0000
9	E	A	-1.8435
10	V	A	-0.5293
11	V	A	0.3784
12	E	A	-1.2522
13	A	A	-1.1019
14	S	A	-1.4375
15	P	A	-1.7459
16	T	A	-1.1486
17	S	A	-1.1193
18	L	A	0.0000
19	Q	A	-0.7240
20	V	A	0.0000
21	S	A	-1.0255
22	W	A	0.0000
23	D	A	-2.3813
24	A	A	-1.4782
25	F	A	0.0000
26	H	A	-1.1339
27	R	A	0.0000
28	Y	A	0.9148
29	H	A	0.2876
30	N	A	-0.5448
31	G	A	0.1459
32	F	A	1.5207
33	T	A	0.7798
34	H	A	0.2269
35	P	A	-0.3830
36	V	A	-0.9633
37	R	A	-1.5051
38	Y	A	-0.9658
39	Y	A	0.0000
40	R	A	-0.8706
41	L	A	0.0000
42	T	A	-0.6511
43	Y	A	-0.3153
44	G	A	0.0000
45	E	A	-1.2596
46	T	A	-1.0637
47	G	A	-1.1318
48	G	A	-1.2404
49	N	A	-1.4696
50	S	A	-0.8337
51	P	A	-0.3574
52	V	A	0.3523
53	Q	A	-1.1668
54	E	A	-1.7678
55	F	A	-0.6176
56	T	A	-0.2584
57	V	A	0.0000
58	P	A	-1.0545
59	G	A	-1.2651
60	S	A	-1.1589
61	K	A	-1.5218
62	S	A	-1.1831
63	T	A	-0.7218
64	A	A	0.0000
65	T	A	-0.3122
66	F	A	0.0000
67	S	A	-0.7514
68	G	A	-0.9816
69	L	A	0.0000
70	K	A	-2.3246
71	P	A	-1.9174
72	G	A	-1.1409
73	V	A	-1.0223
74	D	A	-1.9911
75	Y	A	0.0000
76	T	A	-0.7047
77	V	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3226
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5394
85	Y	A	0.0000
86	P	A	-0.4656
87	R	A	-1.1206
88	Y	A	0.6710
89	G	A	0.6375
90	Y	A	0.9170
91	G	A	0.4110
92	E	A	-0.4858
93	S	A	0.0000
94	G	A	-0.9587
95	P	A	-0.5684
96	V	A	-0.3542
97	S	A	-0.5974
98	L	A	-0.7172
99	N	A	-1.7067
100	Y	A	-1.4834
101	R	A	-2.3880
102	T	A	0.0000
103	E	A	-1.9768
104	L	A	-1.0233
105	D	A	-2.5893
106	K	A	-2.7312
107	P	A	-1.7908
108	S	A	-1.6433
109	Q	A	-1.6642