Project name: Mb5-11_I18L_E45C_V73C_I104L_LLLLLL_mMb5-11C_Leu_LLLLLL

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRLTYGCTGGNSPVQEFTVPGSKSTATLSGLKPGCDYTLTVYAVTWYPRYGYGESGPLSLNYRTELDKPSQ
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                                          (00:00:49)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:49)

• Minimal score value: -2.7786
• Maximal score value: 1.308
• Average score: -0.7162
• Total score value: -78.0648

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	0.5015
2	Q	A	-0.8151
3	A	A	-0.6286
4	N	A	-1.2147
5	S	A	-0.8348
6	G	A	-1.1544
7	S	A	-1.1211
8	L	A	-0.9644
9	E	A	-1.8683
10	V	A	-0.7468
11	V	A	-0.0516
12	E	A	-1.5502
13	A	A	-1.2459
14	S	A	-1.3109
15	P	A	-1.8149
16	T	A	-1.1297
17	S	A	-1.1651
18	L	A	0.0000
19	Q	A	-1.1642
20	L	A	0.0000
21	S	A	-1.0693
22	W	A	0.0000
23	D	A	-1.9361
24	A	A	-1.2677
25	F	A	0.0000
26	H	A	-1.1647
27	R	A	-0.4456
28	Y	A	0.6921
29	H	A	-0.1929
30	N	A	-0.9011
31	G	A	-0.0251
32	F	A	1.3080
33	T	A	0.5108
34	H	A	-0.1251
35	P	A	-0.4355
36	V	A	-0.9600
37	R	A	-1.1327
38	Y	A	-0.7740
39	Y	A	0.0000
40	R	A	-0.8534
41	L	A	0.0000
42	T	A	-0.5782
43	Y	A	-0.2211
44	G	A	-0.4675
45	C	A	0.0000
46	T	A	-0.9034
47	G	A	-1.0382
48	G	A	-1.1011
49	N	A	-1.4066
50	S	A	-0.6922
51	P	A	-0.2377
52	V	A	0.5635
53	Q	A	-0.8782
54	E	A	-1.6798
55	F	A	-0.6422
56	T	A	-0.2612
57	V	A	0.0000
58	P	A	-0.9513
59	G	A	-1.1313
60	S	A	-1.1680
61	K	A	-1.6331
62	S	A	-1.0903
63	T	A	-0.8636
64	A	A	0.0000
65	T	A	-0.4772
66	L	A	0.0000
67	S	A	-0.7640
68	G	A	-0.9228
69	L	A	0.0000
70	K	A	-2.1108
71	P	A	-1.9408
72	G	A	-1.3118
73	C	A	-1.3785
74	D	A	-2.1035
75	Y	A	0.0000
76	T	A	-0.5516
77	L	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3551
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5187
85	Y	A	0.0000
86	P	A	-0.4991
87	R	A	-1.1415
88	Y	A	0.6523
89	G	A	0.5704
90	Y	A	0.9144
91	G	A	0.1919
92	E	A	-0.8344
93	S	A	0.0000
94	G	A	-0.7979
95	P	A	-0.5905
96	L	A	-0.5358
97	S	A	-0.5669
98	L	A	-0.6770
99	N	A	-1.7080
100	Y	A	-1.5952
101	R	A	-2.5573
102	T	A	0.0000
103	E	A	-2.3871
104	L	A	-1.1760
105	D	A	-2.6339
106	K	A	-2.7786
107	P	A	-1.7879
108	S	A	-1.6336
109	Q	A	-1.6627