Project name: Mb5-11_LVVLFL

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATVSGLKPGVDYTLTVYAVTWYPRYGYGESGPFSLNYRTELDKPSQ
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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -2.7295
• Maximal score value: 1.4988
• Average score: -0.7251
• Total score value: -79.0334

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	0.3283
2	Q	A	-0.9725
3	A	A	-1.1427
4	N	A	-1.9704
5	S	A	-1.4264
6	G	A	-1.4750
7	S	A	-1.2224
8	L	A	-0.9327
9	E	A	-1.8095
10	V	A	-0.6385
11	V	A	0.0686
12	E	A	-1.4475
13	A	A	-1.1968
14	S	A	-1.4519
15	P	A	-1.7326
16	T	A	-1.1295
17	S	A	-1.1467
18	L	A	0.0000
19	Q	A	-0.9816
20	L	A	0.0000
21	S	A	-1.0319
22	W	A	0.0000
23	D	A	-2.1591
24	A	A	-1.4502
25	F	A	0.0000
26	H	A	-1.2390
27	R	A	-0.4382
28	Y	A	0.8449
29	H	A	0.3285
30	N	A	-0.4995
31	G	A	0.2700
32	F	A	1.4988
33	T	A	0.7283
34	H	A	0.0000
35	P	A	-0.3922
36	V	A	-1.0337
37	R	A	-1.4390
38	Y	A	-0.9375
39	Y	A	0.0000
40	R	A	-0.8751
41	V	A	0.0000
42	T	A	0.0000
43	Y	A	-0.3593
44	G	A	0.0000
45	E	A	-1.2719
46	T	A	-1.0740
47	G	A	-1.1385
48	G	A	-1.2542
49	N	A	-1.4706
50	S	A	-0.8245
51	P	A	-0.3459
52	V	A	0.3585
53	Q	A	-1.1908
54	E	A	-1.8306
55	F	A	-0.7081
56	T	A	-0.2183
57	V	A	-0.4269
58	P	A	-0.9596
59	G	A	-1.2563
60	S	A	-1.2035
61	K	A	-1.5986
62	S	A	-1.0917
63	T	A	-0.7955
64	A	A	0.0000
65	T	A	-0.3748
66	V	A	0.0000
67	S	A	-0.7725
68	G	A	-0.9710
69	L	A	0.0000
70	K	A	-2.2829
71	P	A	-1.8955
72	G	A	-1.1343
73	V	A	-1.0135
74	D	A	-1.9898
75	Y	A	0.0000
76	T	A	-0.7082
77	L	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3398
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.6210
85	Y	A	0.0000
86	P	A	-0.4351
87	R	A	-1.1080
88	Y	A	0.6992
89	G	A	0.6715
90	Y	A	0.9779
91	G	A	0.2303
92	E	A	-0.7630
93	S	A	0.0000
94	G	A	-0.7806
95	P	A	-0.5409
96	F	A	-0.2737
97	S	A	-0.5192
98	L	A	-0.6300
99	N	A	-1.6916
100	Y	A	-1.4766
101	R	A	-2.3904
102	T	A	0.0000
103	E	A	-1.9694
104	L	A	-1.0062
105	D	A	-2.5825
106	K	A	-2.7295
107	P	A	-1.7868
108	S	A	-1.6399
109	Q	A	-1.6626