Project name: Mb5-11_I18L_I104L_Template

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQISWDAFHRYHNGFTHPVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTWYPRYGYGESGPISINYRTELDKPSQ
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                                          (00:00:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:48)

• Minimal score value: -2.7242
• Maximal score value: 1.4508
• Average score: -0.6838
• Total score value: -74.5391

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	0.4286
2	Q	A	-0.7868
3	A	A	-0.8041
4	N	A	-1.1485
5	S	A	-1.0316
6	G	A	0.0000
7	S	A	-1.1512
8	L	A	0.0000
9	E	A	-1.8255
10	V	A	-0.7853
11	V	A	0.3123
12	E	A	-1.3184
13	A	A	-1.1571
14	S	A	-1.4549
15	P	A	-1.7393
16	T	A	-1.1407
17	S	A	-1.1529
18	L	A	0.0000
19	Q	A	-0.9056
20	I	A	0.0000
21	S	A	-1.0259
22	W	A	0.0000
23	D	A	-2.0509
24	A	A	-1.2751
25	F	A	0.0000
26	H	A	-0.9539
27	R	A	0.0000
28	Y	A	0.9649
29	H	A	0.1183
30	N	A	-0.6407
31	G	A	0.0824
32	F	A	1.4508
33	T	A	0.7347
34	H	A	0.0517
35	P	A	-0.3966
36	V	A	-1.0030
37	R	A	-1.4764
38	Y	A	-0.9771
39	Y	A	0.0000
40	R	A	-0.9454
41	I	A	0.0000
42	T	A	0.0000
43	Y	A	-0.3432
44	G	A	0.0000
45	E	A	-1.3815
46	T	A	-1.1410
47	G	A	-1.1665
48	G	A	-1.3031
49	N	A	-1.5125
50	S	A	-0.9000
51	P	A	-0.3824
52	V	A	0.3374
53	Q	A	-1.1930
54	E	A	-1.8104
55	F	A	-0.7090
56	T	A	-0.2927
57	V	A	0.0000
58	P	A	-1.0191
59	G	A	-1.2434
60	S	A	-1.1473
61	K	A	-1.4704
62	S	A	-1.1176
63	T	A	-0.7669
64	A	A	0.0000
65	T	A	-0.3845
66	I	A	0.0000
67	S	A	-0.7732
68	G	A	-0.9703
69	L	A	0.0000
70	K	A	-2.3152
71	P	A	-1.9215
72	G	A	-1.1749
73	V	A	-1.1290
74	D	A	-2.0878
75	Y	A	0.0000
76	T	A	-0.7122
77	I	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3746
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5165
85	Y	A	0.0000
86	P	A	-0.4475
87	R	A	-1.1011
88	Y	A	0.7203
89	G	A	0.7023
90	Y	A	1.0749
91	G	A	0.2014
92	E	A	-0.9467
93	S	A	0.0000
94	G	A	-0.8849
95	P	A	-0.5640
96	I	A	-0.2491
97	S	A	-0.4829
98	I	A	-0.5991
99	N	A	-1.6936
100	Y	A	-1.5493
101	R	A	-2.4403
102	T	A	0.0000
103	E	A	-1.9828
104	L	A	-1.0148
105	D	A	-2.5771
106	K	A	-2.7242
107	P	A	-1.7860
108	S	A	-1.6399
109	Q	A	-1.6622