Project name: Mb5-11_L8C_I18L_E45C_V73C_I104L_LLLLLC_SS_Tagami

Chain sequence(s)	A: MQANSGSCEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRLTYGCTGGNSPVQEFTVPGSKSTATLSGLKPGCDYTLTVYAVTWYPRYGYGESGPLSCNYRTELDKPSQ
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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)

• Minimal score value: -2.8126
• Maximal score value: 1.3719
• Average score: -0.7448
• Total score value: -81.1817

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	0.4068
2	Q	A	-0.7447
3	A	A	-0.5543
4	N	A	-0.8990
5	S	A	-0.7984
6	G	A	-1.1474
7	S	A	-1.1488
8	C	A	-1.2687
9	E	A	-2.0628
10	V	A	0.0000
11	V	A	-0.2003
12	E	A	-1.6161
13	A	A	-1.4442
14	S	A	-1.6614
15	P	A	-1.9929
16	T	A	-1.1875
17	S	A	-1.2049
18	L	A	0.0000
19	Q	A	-1.2089
20	L	A	0.0000
21	S	A	-1.1655
22	W	A	0.0000
23	D	A	-1.9457
24	A	A	-1.2255
25	F	A	0.0000
26	H	A	-1.0119
27	R	A	-0.3514
28	Y	A	0.8127
29	H	A	-0.0005
30	N	A	-0.6912
31	G	A	0.0388
32	F	A	1.3719
33	T	A	0.5807
34	H	A	0.0553
35	P	A	-0.4697
36	V	A	-1.1161
37	R	A	-1.4391
38	Y	A	-0.9445
39	Y	A	0.0000
40	R	A	-0.9196
41	L	A	0.0000
42	T	A	-0.6692
43	Y	A	-0.3410
44	G	A	-0.4327
45	C	A	0.0000
46	T	A	-0.8621
47	G	A	-1.0386
48	G	A	-1.1040
49	N	A	-1.4096
50	S	A	-0.7477
51	P	A	-0.3067
52	V	A	0.4243
53	Q	A	-1.1655
54	E	A	-1.8483
55	F	A	-0.7801
56	T	A	-0.2803
57	V	A	0.0000
58	P	A	-0.9993
59	G	A	-1.2238
60	S	A	-1.1991
61	K	A	-1.5934
62	S	A	-1.0830
63	T	A	-0.8932
64	A	A	0.0000
65	T	A	-0.4941
66	L	A	0.0000
67	S	A	-0.7516
68	G	A	-0.9029
69	L	A	0.0000
70	K	A	-2.1001
71	P	A	-2.0684
72	G	A	-1.5846
73	C	A	-1.4400
74	D	A	-2.0753
75	Y	A	0.0000
76	T	A	-0.5675
77	L	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.4206
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5087
85	Y	A	0.4395
86	P	A	-0.3761
87	R	A	-1.0561
88	Y	A	0.7742
89	G	A	0.7196
90	Y	A	1.0134
91	G	A	0.0614
92	E	A	-1.2786
93	S	A	-0.9577
94	G	A	-0.7888
95	P	A	-0.6071
96	L	A	-0.5319
97	S	A	-0.7115
98	C	A	-0.9269
99	N	A	-1.7573
100	Y	A	-1.5278
101	R	A	-2.5430
102	T	A	0.0000
103	E	A	-2.5672
104	L	A	-1.3304
105	D	A	-2.7135
106	K	A	-2.8126
107	P	A	-1.7969
108	S	A	-1.6405
109	Q	A	-1.6614