Project name: Mb5-11_LLLLLL

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRLTYGETGGNSPVQEFTVPGSKSTATLSGLKPGVDYTLTVYAVTWYPRYGYGESGPLSLNYRTELDKPSQ
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                                          (00:00:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:58)

• Minimal score value: -2.6924
• Maximal score value: 1.2582
• Average score: -0.7487
• Total score value: -81.6133

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	0.3456
2	Q	A	-0.8286
3	A	A	-0.6467
4	N	A	-1.0816
5	S	A	-0.7824
6	G	A	-1.1440
7	S	A	-1.0910
8	L	A	-0.9594
9	E	A	-1.8860
10	V	A	-0.7999
11	V	A	-0.1307
12	E	A	-1.5777
13	A	A	-1.2360
14	S	A	-1.4077
15	P	A	-1.6714
16	T	A	-1.1345
17	S	A	-1.1664
18	L	A	0.0000
19	Q	A	-1.1614
20	L	A	0.0000
21	S	A	-1.0986
22	W	A	0.0000
23	D	A	-1.9371
24	A	A	-1.2982
25	F	A	0.0000
26	H	A	-1.2213
27	R	A	-0.5574
28	Y	A	0.4866
29	H	A	-0.2571
30	N	A	-0.8212
31	G	A	-0.0600
32	F	A	1.2582
33	T	A	0.4406
34	H	A	-0.1461
35	P	A	-0.4895
36	V	A	-1.0680
37	R	A	-1.3300
38	Y	A	-0.8511
39	Y	A	0.0000
40	R	A	-0.7985
41	L	A	0.0000
42	T	A	-0.5679
43	Y	A	-0.3341
44	G	A	-0.6483
45	E	A	-1.5057
46	T	A	-1.2068
47	G	A	-1.2081
48	G	A	-1.3659
49	N	A	-1.5500
50	S	A	-0.9125
51	P	A	-0.3668
52	V	A	0.4009
53	Q	A	-0.9665
54	E	A	-1.6713
55	F	A	-0.5838
56	T	A	-0.1653
57	V	A	-0.4160
58	P	A	-0.9662
59	G	A	-1.2185
60	S	A	-1.2205
61	K	A	-1.6642
62	S	A	-1.1068
63	T	A	-0.8586
64	A	A	0.0000
65	T	A	-0.4784
66	L	A	0.0000
67	S	A	-0.8045
68	G	A	-0.9930
69	L	A	0.0000
70	K	A	-2.3829
71	P	A	-1.8787
72	G	A	-1.1388
73	V	A	-1.1821
74	D	A	-2.1173
75	Y	A	0.0000
76	T	A	-0.7757
77	L	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3333
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5987
85	Y	A	0.0000
86	P	A	-0.4669
87	R	A	-1.1302
88	Y	A	0.6554
89	G	A	0.5744
90	Y	A	0.8499
91	G	A	0.1726
92	E	A	-0.8078
93	S	A	0.0000
94	G	A	-0.8126
95	P	A	-0.5660
96	L	A	-0.4698
97	S	A	-0.5281
98	L	A	-0.6303
99	N	A	-1.7330
100	Y	A	-1.5416
101	R	A	-2.4335
102	T	A	0.0000
103	E	A	-1.8010
104	L	A	-0.9299
105	D	A	-2.5310
106	K	A	-2.6924
107	P	A	-1.7911
108	S	A	-1.6393
109	Q	A	-1.6637