Project name: Mb5-11_L8C_I18L_E45C_V73C_I104L_LLLLCL_SS_Tagami

Chain sequence(s)	A: MQANSGSCEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRLTYGCTGGNSPVQEFTVPGSKSTATLSGLKPGCDYTLTVYAVTWYPRYGYGESGPCSLNYRTELDKPSQ
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                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)

• Minimal score value: -2.7165
• Maximal score value: 1.5185
• Average score: -0.6798
• Total score value: -74.103

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	0.2255
2	Q	A	-0.9233
3	A	A	0.0000
4	N	A	-1.8923
5	S	A	-1.4949
6	G	A	0.0000
7	S	A	-1.3990
8	C	A	-1.1789
9	E	A	-1.8951
10	V	A	-0.6180
11	V	A	0.1425
12	E	A	-1.3881
13	A	A	-1.1442
14	S	A	-1.3861
15	P	A	-1.6674
16	T	A	-1.0537
17	S	A	-1.0751
18	L	A	0.0000
19	Q	A	-0.8857
20	L	A	0.0000
21	S	A	-1.1049
22	W	A	0.0000
23	D	A	-2.4940
24	A	A	-1.5427
25	F	A	0.0000
26	H	A	-1.1916
27	R	A	0.0000
28	Y	A	0.8931
29	H	A	0.3142
30	N	A	-0.5165
31	G	A	0.1572
32	F	A	1.5185
33	T	A	0.7470
34	H	A	0.1826
35	P	A	-0.4104
36	V	A	-0.9818
37	R	A	-1.4560
38	Y	A	-0.9293
39	Y	A	0.0000
40	R	A	-0.8378
41	L	A	0.0000
42	T	A	-0.6375
43	Y	A	-0.3195
44	G	A	-0.4117
45	C	A	0.0000
46	T	A	-0.8892
47	G	A	-1.0257
48	G	A	-1.0921
49	N	A	-1.4068
50	S	A	-0.7463
51	P	A	-0.3133
52	V	A	0.4265
53	Q	A	-1.1625
54	E	A	-1.8254
55	F	A	-0.7332
56	T	A	-0.2742
57	V	A	0.0000
58	P	A	-1.0083
59	G	A	-1.2243
60	S	A	-1.1428
61	K	A	-1.5134
62	S	A	-1.2068
63	T	A	-0.7992
64	A	A	0.0000
65	T	A	-0.3640
66	L	A	0.0000
67	S	A	-0.7258
68	G	A	-0.9118
69	L	A	0.0000
70	K	A	-2.0277
71	P	A	-1.7994
72	G	A	-1.1721
73	C	A	-1.2662
74	D	A	-2.0040
75	Y	A	0.0000
76	T	A	-0.5290
77	L	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3182
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5438
85	Y	A	0.0000
86	P	A	-0.4438
87	R	A	-1.1026
88	Y	A	0.7271
89	G	A	0.8260
90	Y	A	1.1048
91	G	A	0.4029
92	E	A	-0.6747
93	S	A	0.0000
94	G	A	-0.9463
95	P	A	-0.6785
96	C	A	0.0000
97	S	A	-0.6277
98	L	A	-0.7105
99	N	A	-1.6830
100	Y	A	-1.4989
101	R	A	-2.4110
102	T	A	0.0000
103	E	A	-1.9185
104	L	A	-0.9650
105	D	A	-2.5234
106	K	A	-2.7165
107	P	A	-1.7946
108	S	A	-1.6397
109	Q	A	-1.6628