Project name: Mb5-11_I18L_I104L_LLLLVL_Lib2_Top3

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRLTYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTLTVYAVTWYPRYGYGESGPVSLNYRTELDKPSQ
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                                          (00:01:07)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:08)

• Minimal score value: -2.8016
• Maximal score value: 1.4933
• Average score: -0.7395
• Total score value: -80.6102

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	0.2442
2	Q	A	-0.9685
3	A	A	0.0000
4	N	A	-1.8783
5	S	A	-1.4785
6	G	A	0.0000
7	S	A	-1.3030
8	L	A	-1.0015
9	E	A	-1.8977
10	V	A	-0.7339
11	V	A	0.0110
12	E	A	-1.5085
13	A	A	-1.3691
14	S	A	-1.6612
15	P	A	-2.0011
16	T	A	-1.2664
17	S	A	-1.2602
18	L	A	0.0000
19	Q	A	-1.1261
20	L	A	0.0000
21	S	A	-1.1425
22	W	A	0.0000
23	D	A	-2.3718
24	A	A	-1.4802
25	F	A	0.0000
26	H	A	-1.0586
27	R	A	0.0000
28	Y	A	0.8672
29	H	A	0.2126
30	N	A	-0.5867
31	G	A	0.1295
32	F	A	1.4933
33	T	A	0.7638
34	H	A	0.1640
35	P	A	-0.2740
36	V	A	-0.8474
37	R	A	-1.2355
38	Y	A	-0.8549
39	Y	A	0.0000
40	R	A	-0.8216
41	L	A	0.0000
42	T	A	-0.5707
43	Y	A	-0.3356
44	G	A	0.0000
45	E	A	-1.5017
46	T	A	-1.1793
47	G	A	-1.1993
48	G	A	-1.3491
49	N	A	-1.5335
50	S	A	-0.8877
51	P	A	-0.3547
52	V	A	0.4076
53	Q	A	-0.9852
54	E	A	-1.6905
55	F	A	-0.6625
56	T	A	-0.2759
57	V	A	0.0000
58	P	A	-1.0067
59	G	A	-1.2118
60	S	A	-1.2074
61	K	A	-1.6950
62	S	A	-1.2057
63	T	A	-0.9028
64	A	A	0.0000
65	T	A	-0.4559
66	L	A	0.0000
67	S	A	-0.8047
68	G	A	-0.9915
69	L	A	0.0000
70	K	A	-2.4676
71	P	A	-2.0830
72	G	A	-1.4202
73	V	A	-1.2213
74	D	A	-2.1043
75	Y	A	0.0000
76	T	A	-0.7662
77	L	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3084
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.6598
85	Y	A	0.0000
86	P	A	-0.4617
87	R	A	-1.1306
88	Y	A	0.6462
89	G	A	0.5671
90	Y	A	0.8450
91	G	A	0.3519
92	E	A	-0.5812
93	S	A	0.0000
94	G	A	-0.8944
95	P	A	-0.5308
96	V	A	-0.3016
97	S	A	-0.5641
98	L	A	-0.6684
99	N	A	-1.7251
100	Y	A	-1.5823
101	R	A	-2.5654
102	T	A	0.0000
103	E	A	-2.5288
104	L	A	-1.3061
105	D	A	-2.7298
106	K	A	-2.8016
107	P	A	-1.7907
108	S	A	-1.6410
109	Q	A	-1.6644