Project name: Mb5-11_LLFGLW

Chain sequence(s)	A: MQANSGSLEVVEASPTSLQLSWDAFHRYHNGFTHPVRYYRLTYGETGGNSPVQEFTVPGSKSTATFSGLKPGVDYTGTVYAVTWYPRYGYGESGPLSWNYRTELDKPSQ
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                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -2.6845
• Maximal score value: 1.5004
• Average score: -0.6616
• Total score value: -72.1097

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	0.4645
2	Q	A	-0.6945
3	A	A	-0.7946
4	N	A	-0.9823
5	S	A	-0.9714
6	G	A	0.0000
7	S	A	-1.1256
8	L	A	-0.9255
9	E	A	-1.7592
10	V	A	-0.7352
11	V	A	0.3272
12	E	A	-1.2968
13	A	A	-1.0971
14	S	A	-1.3677
15	P	A	-1.6091
16	T	A	-1.0574
17	S	A	-1.2795
18	L	A	0.0000
19	Q	A	-0.8419
20	L	A	0.0000
21	S	A	-0.9637
22	W	A	0.0000
23	D	A	-2.0321
24	A	A	-1.2496
25	F	A	0.0000
26	H	A	-0.8463
27	R	A	0.0000
28	Y	A	1.0405
29	H	A	0.3051
30	N	A	-0.5596
31	G	A	0.1241
32	F	A	1.5004
33	T	A	0.7490
34	H	A	0.0375
35	P	A	-0.4286
36	V	A	-1.0237
37	R	A	-1.4185
38	Y	A	-0.8577
39	Y	A	0.0000
40	R	A	-0.7894
41	L	A	0.0000
42	T	A	-0.6332
43	Y	A	-0.3791
44	G	A	0.0000
45	E	A	-1.2212
46	T	A	-1.0150
47	G	A	-1.1368
48	G	A	-1.2607
49	N	A	-1.5017
50	S	A	-0.8786
51	P	A	-0.3782
52	V	A	0.3435
53	Q	A	-1.1890
54	E	A	-1.7938
55	F	A	-0.6547
56	T	A	-0.1464
57	V	A	-0.3504
58	P	A	-0.8961
59	G	A	-1.1576
60	S	A	-1.1104
61	K	A	-1.4332
62	S	A	-1.0781
63	T	A	-0.7153
64	A	A	0.0000
65	T	A	-0.3607
66	F	A	0.0000
67	S	A	-0.7495
68	G	A	-0.9503
69	L	A	0.0000
70	K	A	-2.1275
71	P	A	-1.7644
72	G	A	-1.0077
73	V	A	-0.8805
74	D	A	-1.7960
75	Y	A	0.0000
76	T	A	-0.7732
77	G	A	0.0000
78	T	A	-0.4937
79	V	A	0.0000
80	Y	A	-0.3837
81	A	A	0.0000
82	V	A	0.0000
83	T	A	0.0000
84	W	A	0.4790
85	Y	A	0.0000
86	P	A	-0.4509
87	R	A	-1.1022
88	Y	A	0.7183
89	G	A	0.6775
90	Y	A	1.0354
91	G	A	0.4148
92	E	A	-1.1003
93	S	A	0.0000
94	G	A	-0.9553
95	P	A	-0.6402
96	L	A	-0.3038
97	S	A	-0.6703
98	W	A	0.0000
99	N	A	-1.7435
100	Y	A	-1.3873
101	R	A	-2.2273
102	T	A	0.0000
103	E	A	-1.6790
104	L	A	-0.8733
105	D	A	-2.5060
106	K	A	-2.6845
107	P	A	-1.7819
108	S	A	-1.6389
109	Q	A	-1.6581