Project name: Mb5-11_LVFILL

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATFSGLKPGVDYTITVYAVTWYPRYGYGESGPLSLNYRTELDKPSQ
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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)

• Minimal score value: -2.813
• Maximal score value: 1.4474
• Average score: -0.7452
• Total score value: -81.2319

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	0.4044
2	Q	A	-0.8384
3	A	A	-0.7220
4	N	A	-1.3053
5	S	A	-0.9302
6	G	A	0.0000
7	S	A	-1.0847
8	L	A	-0.9530
9	E	A	-1.8912
10	V	A	-0.8298
11	V	A	-0.1910
12	E	A	-1.5720
13	A	A	-1.3394
14	S	A	-1.6047
15	P	A	-2.0108
16	T	A	-1.2565
17	S	A	-1.1942
18	L	A	0.0000
19	Q	A	-1.0361
20	L	A	0.0000
21	S	A	-1.1020
22	W	A	0.0000
23	D	A	-1.9728
24	A	A	-1.3225
25	F	A	0.0000
26	H	A	-1.0825
27	R	A	-0.2862
28	Y	A	0.8812
29	H	A	0.1369
30	N	A	-0.6328
31	G	A	0.0880
32	F	A	1.4474
33	T	A	0.6874
34	H	A	0.0491
35	P	A	-0.4103
36	V	A	-1.0166
37	R	A	-1.3544
38	Y	A	-0.8430
39	Y	A	0.0000
40	R	A	-0.7983
41	V	A	0.0000
42	T	A	-0.7199
43	Y	A	0.0000
44	G	A	-0.6978
45	E	A	-1.4052
46	T	A	-1.1376
47	G	A	-1.1647
48	G	A	-1.2761
49	N	A	-1.5178
50	S	A	-0.9052
51	P	A	-0.4141
52	V	A	0.2664
53	Q	A	-1.2783
54	E	A	-1.8982
55	F	A	-0.8008
56	T	A	-0.2171
57	V	A	-0.4099
58	P	A	-0.9056
59	G	A	-1.2137
60	S	A	-1.2070
61	K	A	-1.6324
62	S	A	-1.0963
63	T	A	-0.8370
64	A	A	0.0000
65	T	A	-0.4068
66	F	A	0.0000
67	S	A	-0.7674
68	G	A	-0.9797
69	L	A	0.0000
70	K	A	-2.4263
71	P	A	-2.1518
72	G	A	-1.4842
73	V	A	-1.2952
74	D	A	-2.0972
75	Y	A	0.0000
76	T	A	-0.7877
77	I	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.2426
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.6380
85	Y	A	0.0000
86	P	A	-0.4547
87	R	A	-1.1234
88	Y	A	0.6636
89	G	A	0.5994
90	Y	A	0.8985
91	G	A	0.2325
92	E	A	-0.6883
93	S	A	0.0000
94	G	A	-0.6346
95	P	A	-0.3978
96	L	A	-0.2991
97	S	A	-0.5237
98	L	A	-0.6693
99	N	A	-1.7395
100	Y	A	-1.6233
101	R	A	-2.5896
102	T	A	0.0000
103	E	A	-2.5514
104	L	A	-1.3362
105	D	A	-2.7506
106	K	A	-2.8130
107	P	A	-1.7832
108	S	A	-1.6339
109	Q	A	-1.6588