Project name: Mb5-11_LVVAYL

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATVSGLKPGVDYTATVYAVTWYPRYGYGESGPYSLNYRTELDKPSQ
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:59)

• Minimal score value: -2.8039
• Maximal score value: 1.476
• Average score: -0.7633
• Total score value: -83.195

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	0.3706
2	Q	A	-1.0319
3	A	A	-1.1229
4	N	A	-1.9795
5	S	A	-1.3459
6	G	A	-1.5302
7	S	A	-1.3043
8	L	A	0.0000
9	E	A	-1.8469
10	V	A	-0.5907
11	V	A	0.3387
12	E	A	-1.3114
13	A	A	-1.2585
14	S	A	-1.6280
15	P	A	-1.9665
16	T	A	-1.2369
17	S	A	-1.2217
18	L	A	0.0000
19	Q	A	-0.8881
20	L	A	0.0000
21	S	A	-1.0253
22	W	A	0.0000
23	D	A	-2.2611
24	A	A	-1.4703
25	F	A	0.0000
26	H	A	-1.2471
27	R	A	-0.3631
28	Y	A	0.8366
29	H	A	0.2043
30	N	A	-0.5919
31	G	A	0.1161
32	F	A	1.4760
33	T	A	0.7235
34	H	A	0.0000
35	P	A	-0.4537
36	V	A	-1.0638
37	R	A	-1.4349
38	Y	A	-0.9107
39	Y	A	0.0000
40	R	A	-0.8269
41	V	A	0.0000
42	T	A	0.0000
43	Y	A	-0.4541
44	G	A	-0.8228
45	E	A	-1.6480
46	T	A	-1.2616
47	G	A	-1.2462
48	G	A	-1.4035
49	N	A	-1.5655
50	S	A	-0.9894
51	P	A	-0.4505
52	V	A	0.2539
53	Q	A	-1.2472
54	E	A	-1.8250
55	F	A	-0.7038
56	T	A	-0.2036
57	V	A	-0.4501
58	P	A	-0.9827
59	G	A	-1.2575
60	S	A	-1.2352
61	K	A	-1.6768
62	S	A	-1.1598
63	T	A	-0.8057
64	A	A	0.0000
65	T	A	-0.3928
66	V	A	0.0000
67	S	A	-0.7689
68	G	A	-0.9877
69	L	A	0.0000
70	K	A	-2.4436
71	P	A	-2.0221
72	G	A	-1.2940
73	V	A	-1.1524
74	D	A	-2.1637
75	Y	A	0.0000
76	T	A	-0.8310
77	A	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.2813
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.4776
85	Y	A	0.0000
86	P	A	-0.4559
87	R	A	-1.1093
88	Y	A	0.7111
89	G	A	0.7247
90	Y	A	1.1227
91	G	A	0.3331
92	E	A	-0.6054
93	S	A	0.0000
94	G	A	-0.6681
95	P	A	-0.4930
96	Y	A	-0.3244
97	S	A	-0.5829
98	L	A	-0.7416
99	N	A	-1.7708
100	Y	A	-1.5903
101	R	A	-2.5543
102	T	A	0.0000
103	E	A	-2.4896
104	L	A	-1.2537
105	D	A	-2.7098
106	K	A	-2.8039
107	P	A	-1.7850
108	S	A	-1.6442
109	Q	A	-1.6630