Project name: Mb5-11_LLFFVF

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

• Minimal score value: -2.7943
• Maximal score value: 1.4982
• Average score: -0.7359
• Total score value: -80.2155

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	0.3696
2	Q	A	-1.0585
3	A	A	0.0000
4	N	A	-2.0081
5	S	A	-1.4000
6	G	A	-1.5859
7	S	A	-1.1851
8	L	A	0.0000
9	E	A	-1.7216
10	V	A	-0.2810
11	V	A	0.2161
12	E	A	-1.2966
13	A	A	-0.8766
14	S	A	-1.2641
15	P	A	-1.9502
16	T	A	-1.2536
17	S	A	-1.1399
18	L	A	0.0000
19	Q	A	-0.6635
20	L	A	0.0000
21	S	A	-1.0796
22	W	A	0.0000
23	D	A	-2.5736
24	A	A	-1.5722
25	F	A	0.0000
26	H	A	-1.2097
27	R	A	0.0000
28	Y	A	0.9463
29	H	A	0.2420
30	N	A	-0.6983
31	G	A	0.1370
32	F	A	1.4982
33	T	A	0.7410
34	H	A	0.0364
35	P	A	-0.4409
36	V	A	-0.9981
37	R	A	-1.4503
38	Y	A	-0.8630
39	Y	A	0.0000
40	R	A	-0.8615
41	L	A	0.0000
42	T	A	0.0000
43	Y	A	-0.3974
44	G	A	-0.7320
45	E	A	-1.6344
46	T	A	-1.2796
47	G	A	-1.2436
48	G	A	-1.3888
49	N	A	-1.5353
50	S	A	-0.9040
51	P	A	-0.4112
52	V	A	0.2827
53	Q	A	-1.2178
54	E	A	-1.8065
55	F	A	-0.6690
56	T	A	-0.1986
57	V	A	-0.3885
58	P	A	-0.9339
59	G	A	-1.1917
60	S	A	-1.1205
61	K	A	-1.4765
62	S	A	-1.1997
63	T	A	-0.7252
64	A	A	0.0000
65	T	A	-0.2800
66	F	A	0.0000
67	S	A	-0.7528
68	G	A	-1.0028
69	L	A	0.0000
70	K	A	-2.5135
71	P	A	-2.1392
72	G	A	-1.5275
73	V	A	-1.3670
74	D	A	-2.3393
75	Y	A	0.0000
76	T	A	-0.8108
77	F	A	0.0000
78	T	A	0.0000
79	V	A	0.0000
80	Y	A	-0.3204
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.5045
85	Y	A	0.0000
86	P	A	-0.4620
87	R	A	-1.1061
88	Y	A	0.7125
89	G	A	0.7246
90	Y	A	1.1219
91	G	A	0.4570
92	E	A	-0.5070
93	S	A	0.0000
94	G	A	-0.9040
95	P	A	-0.5343
96	V	A	-0.2752
97	S	A	-0.3613
98	F	A	-0.5527
99	N	A	-1.6467
100	Y	A	-1.6249
101	R	A	-2.7776
102	T	A	0.0000
103	E	A	-2.5931
104	L	A	-1.3131
105	D	A	-2.7434
106	K	A	-2.7943
107	P	A	-1.7783
108	S	A	-1.6335
109	Q	A	-1.6584