Project name: Mb5-11_LVFFLF

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATFSGLKPGVDYTFTVYAVTWYPRYGYGESGPLSFNYRTELDKPSQ
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                                          (00:01:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:09)

• Minimal score value: -2.7884
• Maximal score value: 1.4886
• Average score: -0.7333
• Total score value: -79.9305

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	0.4515
2	Q	A	-0.8492
3	A	A	-0.7964
4	N	A	-1.5907
5	S	A	-1.0686
6	G	A	-1.3042
7	S	A	-1.1502
8	L	A	0.0000
9	E	A	-1.7755
10	V	A	-0.3570
11	V	A	0.0910
12	E	A	-1.3619
13	A	A	-0.9217
14	S	A	-1.2413
15	P	A	-1.8968
16	T	A	-1.2297
17	S	A	-1.1388
18	L	A	0.0000
19	Q	A	-0.7138
20	L	A	0.0000
21	S	A	-1.1010
22	W	A	0.0000
23	D	A	-2.4859
24	A	A	-1.4785
25	F	A	0.0000
26	H	A	-1.0531
27	R	A	0.0000
28	Y	A	1.1028
29	H	A	0.2719
30	N	A	-0.5927
31	G	A	0.1239
32	F	A	1.4886
33	T	A	0.7244
34	H	A	0.0498
35	P	A	-0.4382
36	V	A	-1.0230
37	R	A	-1.5689
38	Y	A	-0.9025
39	Y	A	0.0000
40	R	A	-0.8568
41	V	A	0.0000
42	T	A	0.0000
43	Y	A	-0.4021
44	G	A	-0.7443
45	E	A	-1.6396
46	T	A	-1.2766
47	G	A	-1.2514
48	G	A	-1.3545
49	N	A	-1.5404
50	S	A	-0.9257
51	P	A	-0.4163
52	V	A	0.2758
53	Q	A	-1.2317
54	E	A	-1.8212
55	F	A	-0.7079
56	T	A	-0.2156
57	V	A	-0.3768
58	P	A	-0.9186
59	G	A	-1.1851
60	S	A	-1.0873
61	K	A	-1.5738
62	S	A	-1.1025
63	T	A	-0.7195
64	A	A	0.0000
65	T	A	-0.3249
66	F	A	0.0000
67	S	A	-0.7562
68	G	A	-1.0056
69	L	A	0.0000
70	K	A	-2.4917
71	P	A	-2.0968
72	G	A	-1.4507
73	V	A	-1.3563
74	D	A	-2.3141
75	Y	A	0.0000
76	T	A	-0.8052
77	F	A	0.0000
78	T	A	-0.4456
79	V	A	0.0000
80	Y	A	-0.3237
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5667
85	Y	A	0.0000
86	P	A	-0.4495
87	R	A	-1.1039
88	Y	A	0.7027
89	G	A	0.6806
90	Y	A	0.9986
91	G	A	0.2456
92	E	A	-0.7584
93	S	A	0.0000
94	G	A	-0.7119
95	P	A	-0.4709
96	L	A	-0.2130
97	S	A	-0.3468
98	F	A	-0.5631
99	N	A	-1.6263
100	Y	A	-1.5639
101	R	A	-2.7253
102	T	A	0.0000
103	E	A	-2.5503
104	L	A	-1.2826
105	D	A	-2.7236
106	K	A	-2.7884
107	P	A	-1.7790
108	S	A	-1.6310
109	Q	A	-1.6584