Project name: Mb5-11_LVLLLL

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRVTYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTLTVYAVTWYPRYGYGESGPLSLNYRTELDKPSQ
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.                                          (00:01:03)

• Minimal score value: -2.7191
• Maximal score value: 1.4519
• Average score: -0.7148
• Total score value: -77.918

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	0.4285
2	Q	A	-0.8177
3	A	A	-0.7523
4	N	A	-1.3516
5	S	A	-0.9818
6	G	A	-1.2605
7	S	A	-1.1825
8	L	A	0.0000
9	E	A	-1.8445
10	V	A	-0.6374
11	V	A	0.2806
12	E	A	-1.3675
13	A	A	-1.1977
14	S	A	-1.4679
15	P	A	-1.7234
16	T	A	-1.1395
17	S	A	-1.1782
18	L	A	0.0000
19	Q	A	-1.0136
20	L	A	0.0000
21	S	A	-1.0397
22	W	A	0.0000
23	D	A	-1.9612
24	A	A	-1.3299
25	F	A	0.0000
26	H	A	-1.0963
27	R	A	-0.2119
28	Y	A	0.8833
29	H	A	0.1696
30	N	A	-0.6185
31	G	A	0.0933
32	F	A	1.4519
33	T	A	0.6830
34	H	A	0.0381
35	P	A	-0.4184
36	V	A	-1.0554
37	R	A	-1.3300
38	Y	A	-0.8696
39	Y	A	0.0000
40	R	A	-0.7892
41	V	A	0.0000
42	T	A	0.0000
43	Y	A	-0.3200
44	G	A	0.0000
45	E	A	-1.5593
46	T	A	-1.2397
47	G	A	-1.2232
48	G	A	-1.3782
49	N	A	-1.5436
50	S	A	-0.9093
51	P	A	-0.3541
52	V	A	0.4110
53	Q	A	-0.9674
54	E	A	-1.6606
55	F	A	-0.5755
56	T	A	-0.1449
57	V	A	-0.4296
58	P	A	-0.9740
59	G	A	-1.2617
60	S	A	-1.3019
61	K	A	-1.8292
62	S	A	-1.1861
63	T	A	-0.8571
64	A	A	0.0000
65	T	A	-0.4190
66	L	A	0.0000
67	S	A	-0.7959
68	G	A	-0.9858
69	L	A	0.0000
70	K	A	-2.3691
71	P	A	-1.8620
72	G	A	-1.1352
73	V	A	-1.1276
74	D	A	-2.1606
75	Y	A	0.0000
76	T	A	-0.8224
77	L	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3126
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5845
85	Y	A	0.0000
86	P	A	-0.4689
87	R	A	-1.1306
88	Y	A	0.6489
89	G	A	0.5592
90	Y	A	0.8165
91	G	A	0.1484
92	E	A	-0.8355
93	S	A	0.0000
94	G	A	-0.7184
95	P	A	-0.4861
96	L	A	-0.4565
97	S	A	-0.5822
98	L	A	-0.7182
99	N	A	-1.8144
100	Y	A	-1.6832
101	R	A	-2.5167
102	T	A	0.0000
103	E	A	-1.9914
104	L	A	-0.9923
105	D	A	-2.5676
106	K	A	-2.7191
107	P	A	-1.7900
108	S	A	-1.6388
109	Q	A	-1.6631