Project name: Mb5-11_VVVCVC

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQVSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATVSGLKPGVDYTCTVYAVTWYPRYGYGESGPVSCNYRTELDKPSQ
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                                          (00:00:52)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -2.7335
• Maximal score value: 1.2503
• Average score: -0.7657
• Total score value: -83.4598

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	0.1079
2	Q	A	-1.1524
3	A	A	-1.1021
4	N	A	-1.5736
5	S	A	-1.2886
6	G	A	-1.3906
7	S	A	-1.3747
8	L	A	0.0000
9	E	A	-1.9458
10	V	A	-0.7937
11	V	A	0.2505
12	E	A	-1.3246
13	A	A	-1.1419
14	S	A	-1.4619
15	P	A	-1.7756
16	T	A	-1.1635
17	S	A	-1.1345
18	L	A	0.0000
19	Q	A	-0.8209
20	V	A	0.0000
21	S	A	-1.1179
22	W	A	0.0000
23	D	A	-2.3927
24	A	A	-1.3196
25	F	A	0.0000
26	H	A	-1.0451
27	R	A	-0.5809
28	Y	A	-0.0246
29	H	A	-0.0271
30	N	A	-0.8525
31	G	A	-0.1064
32	F	A	1.2503
33	T	A	0.4845
34	H	A	-0.0271
35	P	A	-0.5171
36	V	A	-1.0532
37	R	A	-1.5194
38	Y	A	-0.9319
39	Y	A	0.0000
40	R	A	-0.8861
41	V	A	0.0000
42	T	A	0.0000
43	Y	A	-0.4552
44	G	A	-0.7349
45	E	A	-1.5706
46	T	A	-1.2105
47	G	A	-1.2255
48	G	A	-1.3835
49	N	A	-1.5484
50	S	A	-0.9287
51	P	A	-0.4214
52	V	A	0.2782
53	Q	A	-1.2198
54	E	A	-1.8104
55	F	A	-0.7097
56	T	A	-0.2776
57	V	A	0.0000
58	P	A	-1.0148
59	G	A	-1.2531
60	S	A	-1.1802
61	K	A	-1.6322
62	S	A	-1.2204
63	T	A	-0.8302
64	A	A	0.0000
65	T	A	-0.3458
66	V	A	0.0000
67	S	A	-0.7525
68	G	A	-0.9797
69	L	A	0.0000
70	K	A	-2.4145
71	P	A	-1.9428
72	G	A	-1.1974
73	V	A	-1.1851
74	D	A	-2.0869
75	Y	A	0.0000
76	T	A	-0.7923
77	C	A	0.0000
78	T	A	-0.5428
79	V	A	0.0000
80	Y	A	-0.3291
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.4342
85	Y	A	0.0000
86	P	A	-0.4813
87	R	A	-1.1304
88	Y	A	0.6534
89	G	A	0.7827
90	Y	A	1.1165
91	G	A	0.3564
92	E	A	-0.5172
93	S	A	0.0000
94	G	A	-0.7473
95	P	A	-0.4995
96	V	A	0.0000
97	S	A	-0.7165
98	C	A	-0.9335
99	N	A	-1.7514
100	Y	A	-1.4412
101	R	A	-2.3790
102	T	A	0.0000
103	E	A	-2.0469
104	L	A	-1.0615
105	D	A	-2.5941
106	K	A	-2.7335
107	P	A	-1.7888
108	S	A	-1.6454
109	Q	A	-1.6649