Project name: Mb5-11_Original

Chain sequence(s)	A: MQANSGSLEVVEASPTSIQISWDAFHRYHNGFTHPVRYYRITYGETGGNSPVQEFTVPGSKSTATISGLKPGVDYTITVYAVTWYPRYGYGESGPISINYRTEIDKPSQ
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                                          (00:01:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:04)

• Minimal score value: -2.9153
• Maximal score value: 1.4915
• Average score: -0.7274
• Total score value: -79.2913

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	0.4576
2	Q	A	-0.7570
3	A	A	-0.8571
4	N	A	-1.1554
5	S	A	-1.0777
6	G	A	0.0000
7	S	A	-1.1870
8	L	A	0.0000
9	E	A	-1.8884
10	V	A	-0.6536
11	V	A	0.1169
12	E	A	-1.3939
13	A	A	-1.2505
14	S	A	-1.6449
15	P	A	-2.0496
16	T	A	-1.2855
17	S	A	-1.1802
18	I	A	0.0000
19	Q	A	-0.8635
20	I	A	0.0000
21	S	A	-1.0888
22	W	A	0.0000
23	D	A	-2.1910
24	A	A	-1.3336
25	F	A	0.0000
26	H	A	-0.9052
27	R	A	0.0000
28	Y	A	1.0267
29	H	A	0.2786
30	N	A	-0.5672
31	G	A	0.1233
32	F	A	1.4915
33	T	A	0.7484
34	H	A	0.0747
35	P	A	-0.3956
36	V	A	-1.0189
37	R	A	-1.4896
38	Y	A	-0.9812
39	Y	A	0.0000
40	R	A	-0.9319
41	I	A	0.0000
42	T	A	0.0000
43	Y	A	-0.3521
44	G	A	-0.5936
45	E	A	-1.3154
46	T	A	-1.0998
47	G	A	-1.1494
48	G	A	-1.2707
49	N	A	-1.4784
50	S	A	-0.8333
51	P	A	-0.3503
52	V	A	0.3500
53	Q	A	-1.1867
54	E	A	-1.8097
55	F	A	-0.7022
56	T	A	-0.2859
57	V	A	0.0000
58	P	A	-1.0352
59	G	A	-1.2526
60	S	A	-1.1623
61	K	A	-1.5138
62	S	A	-1.1704
63	T	A	-0.7971
64	A	A	0.0000
65	T	A	-0.3497
66	I	A	0.0000
67	S	A	-0.7635
68	G	A	-0.9861
69	L	A	0.0000
70	K	A	-2.4775
71	P	A	-2.2239
72	G	A	-1.4907
73	V	A	-1.2170
74	D	A	-2.0906
75	Y	A	0.0000
76	T	A	-0.7133
77	I	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3982
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.4766
85	Y	A	0.0000
86	P	A	-0.4633
87	R	A	-1.1152
88	Y	A	0.6876
89	G	A	0.6257
90	Y	A	0.9027
91	G	A	0.0852
92	E	A	-1.0575
93	S	A	0.0000
94	G	A	-0.9510
95	P	A	-0.6007
96	I	A	-0.2850
97	S	A	-0.5152
98	I	A	-0.5996
99	N	A	-1.6773
100	Y	A	-1.5528
101	R	A	-2.5875
102	T	A	0.0000
103	E	A	-2.5309
104	I	A	-1.6368
105	D	A	-2.9153
106	K	A	-2.8940
107	P	A	-1.8569
108	S	A	-1.6243
109	Q	A	-1.6568