Project name: Mb5-11_IVLFYL

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQISWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTFTVYAVTWYPRYGYGESGPYSLNYRTELDKPSQ
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                                          (00:00:54)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:55)

• Minimal score value: -2.7153
• Maximal score value: 1.4314
• Average score: -0.6928
• Total score value: -75.5123

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	0.3428
2	Q	A	-1.0463
3	A	A	-1.0787
4	N	A	-1.9020
5	S	A	-1.2689
6	G	A	0.0000
7	S	A	-1.2235
8	L	A	0.0000
9	E	A	-1.7659
10	V	A	-0.5403
11	V	A	0.3305
12	E	A	-1.3156
13	A	A	-1.1224
14	S	A	-1.4123
15	P	A	-1.6442
16	T	A	-1.0643
17	S	A	-1.1225
18	L	A	0.0000
19	Q	A	-0.9150
20	I	A	0.0000
21	S	A	-1.0065
22	W	A	0.0000
23	D	A	-2.0101
24	A	A	-1.4065
25	F	A	0.0000
26	H	A	-1.1981
27	R	A	-0.3781
28	Y	A	0.8009
29	H	A	0.0431
30	N	A	-0.6769
31	G	A	0.0671
32	F	A	1.4314
33	T	A	0.6999
34	H	A	0.0000
35	P	A	-0.4023
36	V	A	-1.0306
37	R	A	-1.4115
38	Y	A	-0.9629
39	Y	A	0.0000
40	R	A	-0.8479
41	V	A	0.0000
42	T	A	-0.7159
43	Y	A	0.0000
44	G	A	0.0000
45	E	A	-1.3442
46	T	A	-1.0780
47	G	A	-1.1600
48	G	A	-1.3001
49	N	A	-1.5103
50	S	A	-0.8932
51	P	A	-0.4091
52	V	A	0.2705
53	Q	A	-1.2374
54	E	A	-1.8311
55	F	A	-0.7291
56	T	A	-0.2566
57	V	A	0.0000
58	P	A	-1.1046
59	G	A	-1.3622
60	S	A	-1.3895
61	K	A	-1.9605
62	S	A	-1.2505
63	T	A	-0.8788
64	A	A	-0.4523
65	T	A	-0.4200
66	L	A	0.0000
67	S	A	-0.7598
68	G	A	-0.9494
69	L	A	0.0000
70	K	A	-2.1192
71	P	A	-1.7309
72	G	A	-0.9907
73	V	A	-0.8336
74	D	A	-1.8182
75	Y	A	0.0000
76	T	A	-0.6986
77	F	A	0.0000
78	T	A	-0.4490
79	V	A	0.0000
80	Y	A	-0.2616
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.6684
85	Y	A	0.0000
86	P	A	-0.4174
87	R	A	-1.0886
88	Y	A	0.7359
89	G	A	0.7713
90	Y	A	1.1928
91	G	A	0.3964
92	E	A	-0.5509
93	S	A	0.0000
94	G	A	-0.5822
95	P	A	-0.4451
96	Y	A	-0.2715
97	S	A	-0.4762
98	L	A	-0.5137
99	N	A	-1.5177
100	Y	A	-1.3579
101	R	A	-2.2695
102	T	A	0.0000
103	E	A	-1.8484
104	L	A	-0.9273
105	D	A	-2.5382
106	K	A	-2.7153
107	P	A	-1.7878
108	S	A	-1.6453
109	Q	A	-1.6626