Project name: Mb5-11_VLFFIV

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQVSWDAFHRYHNGFTHPVRYYRLTYGETGGNSPVQEFTVPGSKSTATFSGLKPGVDYTFTVYAVTWYPRYGYGESGPISVNYRTELDKPSQ
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.                                          (00:00:56)

• Minimal score value: -2.9248
• Maximal score value: 1.4432
• Average score: -0.7766
• Total score value: -84.6478

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	0.3378
2	Q	A	-1.0144
3	A	A	-1.2220
4	N	A	-2.0166
5	S	A	-1.3977
6	G	A	-1.6630
7	S	A	-1.3376
8	L	A	0.0000
9	E	A	-1.8570
10	V	A	-0.6183
11	V	A	-0.0027
12	E	A	-1.4321
13	A	A	-1.0883
14	S	A	-1.4536
15	P	A	-1.8883
16	T	A	-1.2622
17	S	A	-1.1531
18	L	A	0.0000
19	Q	A	-0.8378
20	V	A	0.0000
21	S	A	-1.1533
22	W	A	0.0000
23	D	A	-2.5506
24	A	A	-1.5511
25	F	A	0.0000
26	H	A	-1.2618
27	R	A	-0.3288
28	Y	A	0.8200
29	H	A	0.2037
30	N	A	-0.6008
31	G	A	0.1030
32	F	A	1.4432
33	T	A	0.6485
34	H	A	-0.0317
35	P	A	-0.4856
36	V	A	-0.9978
37	R	A	-1.4349
38	Y	A	-0.7968
39	Y	A	0.0000
40	R	A	-0.8367
41	L	A	0.0000
42	T	A	0.0000
43	Y	A	-0.4292
44	G	A	-0.9019
45	E	A	-1.8560
46	T	A	-1.5119
47	G	A	-1.3929
48	G	A	-1.5379
49	N	A	-1.5602
50	S	A	-0.9344
51	P	A	-0.4179
52	V	A	0.2860
53	Q	A	-1.2031
54	E	A	-1.8031
55	F	A	-0.6712
56	T	A	-0.1955
57	V	A	-0.3424
58	P	A	-0.8653
59	G	A	-1.1139
60	S	A	-1.0308
61	K	A	-1.3123
62	S	A	-1.1197
63	T	A	-0.7242
64	A	A	0.0000
65	T	A	-0.3428
66	F	A	0.0000
67	S	A	-0.7505
68	G	A	-1.0030
69	L	A	0.0000
70	K	A	-2.5742
71	P	A	-2.1713
72	G	A	-1.4963
73	V	A	-1.6526
74	D	A	-2.9248
75	Y	A	0.0000
76	T	A	-0.8714
77	F	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3273
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5102
85	Y	A	0.0000
86	P	A	-0.3799
87	R	A	-1.0776
88	Y	A	0.7082
89	G	A	0.6850
90	Y	A	1.1225
91	G	A	0.3439
92	E	A	-0.5799
93	S	A	0.0000
94	G	A	-0.8734
95	P	A	-0.6087
96	I	A	0.0000
97	S	A	-0.6202
98	V	A	-0.6271
99	N	A	-1.5616
100	Y	A	-1.3574
101	R	A	-2.3773
102	T	A	0.0000
103	E	A	-2.4311
104	L	A	-1.3284
105	D	A	-2.7842
106	K	A	-2.8354
107	P	A	-1.8093
108	S	A	-1.6347
109	Q	A	-1.6610