Project name: Mb5-11_IVLLVF

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQISWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTLTVYAVTWYPRYGYGESGPVSFNYRTELDKPSQ
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.                                          (00:00:58)

• Minimal score value: -2.7367
• Maximal score value: 1.4811
• Average score: -0.6694
• Total score value: -72.9653

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	0.3108
2	Q	A	-0.8060
3	A	A	-0.8107
4	N	A	-1.1642
5	S	A	-1.0981
6	G	A	0.0000
7	S	A	-1.0942
8	L	A	-0.9721
9	E	A	-1.7991
10	V	A	-0.6304
11	V	A	0.0079
12	E	A	-1.4609
13	A	A	-1.1737
14	S	A	-1.4353
15	P	A	-1.7725
16	T	A	-1.1791
17	S	A	-1.1466
18	L	A	0.0000
19	Q	A	-0.9173
20	I	A	0.0000
21	S	A	-1.0413
22	W	A	0.0000
23	D	A	-2.0799
24	A	A	-1.2613
25	F	A	0.0000
26	H	A	-0.8752
27	R	A	0.0000
28	Y	A	0.9960
29	H	A	0.2154
30	N	A	-0.5920
31	G	A	0.1315
32	F	A	1.4811
33	T	A	0.7265
34	H	A	0.0591
35	P	A	-0.3824
36	V	A	-0.9369
37	R	A	-1.4133
38	Y	A	-0.8358
39	Y	A	0.0000
40	R	A	-0.8034
41	V	A	0.0000
42	T	A	-0.6147
43	Y	A	-0.2616
44	G	A	0.0000
45	E	A	-1.3299
46	T	A	-1.1035
47	G	A	-1.1449
48	G	A	-1.2823
49	N	A	-1.4949
50	S	A	-0.8572
51	P	A	-0.3463
52	V	A	0.3882
53	Q	A	-1.0584
54	E	A	-1.7351
55	F	A	-0.6514
56	T	A	-0.1796
57	V	A	-0.3544
58	P	A	-0.8930
59	G	A	-1.1421
60	S	A	-1.0636
61	K	A	-1.3245
62	S	A	-0.9662
63	T	A	-0.6983
64	A	A	0.0000
65	T	A	-0.3791
66	L	A	0.0000
67	S	A	-0.7763
68	G	A	-0.9974
69	L	A	0.0000
70	K	A	-2.3960
71	P	A	-1.9616
72	G	A	-1.2069
73	V	A	-1.1281
74	D	A	-2.0372
75	Y	A	0.0000
76	T	A	-0.5949
77	L	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3077
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5912
85	Y	A	0.0000
86	P	A	-0.4323
87	R	A	-1.0924
88	Y	A	0.7302
89	G	A	0.7334
90	Y	A	1.1333
91	G	A	0.4103
92	E	A	-0.6381
93	S	A	0.0000
94	G	A	-0.8356
95	P	A	-0.4873
96	V	A	-0.0311
97	S	A	-0.2729
98	F	A	-0.1395
99	N	A	-1.4795
100	Y	A	-1.4814
101	R	A	-2.4737
102	T	A	0.0000
103	E	A	-2.0582
104	L	A	-1.0561
105	D	A	-2.6061
106	K	A	-2.7367
107	P	A	-1.7865
108	S	A	-1.6411
109	Q	A	-1.6629