Project name: Mb5-11_LFLFLL

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRFTYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTFTVYAVTWYPRYGYGESGPLSLNYRTELDKPSQ
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: -2.7718
• Maximal score value: 1.3637
• Average score: -0.7468
• Total score value: -81.4027

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	0.3441
2	Q	A	-0.8527
3	A	A	-0.7162
4	N	A	-1.1577
5	S	A	-0.9882
6	G	A	-1.2621
7	S	A	-1.2004
8	L	A	0.0000
9	E	A	-1.8364
10	V	A	-0.5090
11	V	A	0.4072
12	E	A	-1.2491
13	A	A	-0.7833
14	S	A	-1.0340
15	P	A	-1.5040
16	T	A	-1.1137
17	S	A	-1.0265
18	L	A	0.0000
19	Q	A	-0.7631
20	L	A	0.0000
21	S	A	-1.0389
22	W	A	0.0000
23	D	A	-2.2257
24	A	A	-1.3978
25	F	A	0.0000
26	H	A	-1.4305
27	R	A	-0.3902
28	Y	A	0.5134
29	H	A	-0.2153
30	N	A	-0.7785
31	G	A	-0.0602
32	F	A	1.3637
33	T	A	0.4586
34	H	A	-0.1992
35	P	A	-0.5299
36	V	A	-1.0266
37	R	A	-1.4264
38	Y	A	-0.8084
39	Y	A	0.0000
40	R	A	-0.8185
41	F	A	0.0000
42	T	A	-0.6661
43	Y	A	-0.4399
44	G	A	-0.9453
45	E	A	-1.8882
46	T	A	-1.5122
47	G	A	-1.4027
48	G	A	-1.5241
49	N	A	-1.5806
50	S	A	-1.0014
51	P	A	-0.4550
52	V	A	0.2577
53	Q	A	-1.2705
54	E	A	-1.8836
55	F	A	-0.8232
56	T	A	-0.2368
57	V	A	-0.3963
58	P	A	-0.8977
59	G	A	-1.1721
60	S	A	-1.1552
61	K	A	-1.5369
62	S	A	-1.1866
63	T	A	-0.7601
64	A	A	0.0000
65	T	A	-0.3311
66	L	A	0.0000
67	S	A	-0.7690
68	G	A	-1.0023
69	L	A	0.0000
70	K	A	-2.4587
71	P	A	-1.9350
72	G	A	-1.2213
73	V	A	-1.5306
74	D	A	-2.7718
75	Y	A	0.0000
76	T	A	-0.9126
77	F	A	0.0000
78	T	A	-0.4641
79	V	A	0.0000
80	Y	A	-0.2854
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.4719
85	Y	A	0.0000
86	P	A	-0.4760
87	R	A	-1.1138
88	Y	A	0.7055
89	G	A	0.7097
90	Y	A	1.1196
91	G	A	0.5254
92	E	A	-0.5685
93	S	A	0.0000
94	G	A	-0.6032
95	P	A	-0.4879
96	L	A	-0.3748
97	S	A	-0.5862
98	L	A	-0.7591
99	N	A	-1.8315
100	Y	A	-1.4881
101	R	A	-2.0980
102	T	A	0.0000
103	E	A	-1.5407
104	L	A	-1.0633
105	D	A	-2.6402
106	K	A	-2.7480
107	P	A	-1.8390
108	S	A	-1.6396
109	Q	A	-1.6627